USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 960 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 79 HIS : no HE2:sc= -3.61 K(o=-3.3,f=-13!) USER MOD Set 1.2: A 81 THR OG1 : rot -94:sc= 0.312 USER MOD Set 2.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 42 MET CE :methyl 147:sc= -2.57 (180deg=-6.06!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.018 K(o=-0.018,f=-1.5!) USER MOD Single : A 13 ASN : amide:sc= -14.4! C(o=-14!,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -0.376 K(o=-0.38,f=-4!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 75:sc= -0.499 USER MOD Single : A 31 ASN : amide:sc= -1.79 K(o=-1.8,f=-4.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc=-0.00764 (180deg=-0.00764) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.98 USER MOD Single : A 48 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.059) USER MOD Single : A 55 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.5!) USER MOD Single : A 61 THR OG1 : rot 103:sc= 0.83 USER MOD Single : A 63 GLN : amide:sc= -0.638 X(o=-0.64,f=-0.61) USER MOD Single : A 64 HIS : no HE2:sc= -18! C(o=-18!,f=-18!) USER MOD Single : A 66 SER OG : rot -2:sc= 1.95 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.739 K(o=-0.74,f=-1.6) USER MOD Single : A 105 MET CE :methyl -141:sc= -0.0863 (180deg=-1.37!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.1!) USER MOD Single : A 119 ASN : amide:sc= -6.9! C(o=-6.9!,f=-10!) USER MOD Single : A 125 LYS NZ :NH3+ 150:sc= -0.4 (180deg=-1.46!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -5.780 -18.793 -0.796 1.00 0.00 N ATOM 43 CA LYS A 3 -5.028 -17.656 -0.275 1.00 0.00 C ATOM 44 C LYS A 3 -5.167 -16.449 -1.195 1.00 0.00 C ATOM 45 O LYS A 3 -5.419 -16.595 -2.392 1.00 0.00 O ATOM 46 CB LYS A 3 -3.551 -18.025 -0.116 1.00 0.00 C ATOM 47 CG LYS A 3 -2.880 -18.423 -1.421 1.00 0.00 C ATOM 48 CD LYS A 3 -1.623 -19.241 -1.174 1.00 0.00 C ATOM 49 CE LYS A 3 -0.562 -18.429 -0.447 1.00 0.00 C ATOM 50 NZ LYS A 3 0.078 -19.207 0.649 1.00 0.00 N ATOM 0 HA LYS A 3 -5.437 -17.396 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.017 -17.177 0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.465 -18.848 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.577 -19.000 -2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.627 -17.528 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.872 -20.124 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.224 -19.593 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.200 -18.108 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.014 -17.527 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.795 -18.619 1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.645 -19.492 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.532 -20.055 0.254 1.00 0.00 H new ATOM 64 N LEU A 4 -4.990 -15.257 -0.635 1.00 0.00 N ATOM 65 CA LEU A 4 -5.083 -14.025 -1.413 1.00 0.00 C ATOM 66 C LEU A 4 -4.111 -12.980 -0.868 1.00 0.00 C ATOM 67 O LEU A 4 -4.197 -12.596 0.298 1.00 0.00 O ATOM 68 CB LEU A 4 -6.515 -13.486 -1.384 1.00 0.00 C ATOM 69 CG LEU A 4 -6.987 -12.964 -0.025 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.695 -11.476 0.107 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.472 -13.240 0.163 1.00 0.00 C ATOM 0 H LEU A 4 -4.782 -15.117 0.354 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.815 -14.244 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.598 -12.680 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.191 -14.278 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.439 -13.489 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.038 -11.123 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.622 -11.306 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.216 -10.932 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.792 -12.863 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.037 -12.741 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.652 -14.314 0.114 1.00 0.00 H new ATOM 83 N GLN A 5 -3.166 -12.546 -1.699 1.00 0.00 N ATOM 84 CA GLN A 5 -2.165 -11.576 -1.280 1.00 0.00 C ATOM 85 C GLN A 5 -2.459 -10.167 -1.782 1.00 0.00 C ATOM 86 O GLN A 5 -3.131 -9.970 -2.793 1.00 0.00 O ATOM 87 CB GLN A 5 -0.796 -12.004 -1.799 1.00 0.00 C ATOM 88 CG GLN A 5 -0.447 -13.438 -1.455 1.00 0.00 C ATOM 89 CD GLN A 5 1.022 -13.750 -1.663 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.865 -12.852 -1.665 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.338 -15.027 -1.840 1.00 0.00 N ATOM 0 H GLN A 5 -3.075 -12.853 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.184 -11.550 -0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.771 -11.881 -2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.035 -11.343 -1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.712 -13.632 -0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.047 -14.110 -2.068 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.608 -15.739 -1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.311 -15.296 -1.985 1.00 0.00 H new ATOM 100 N ILE A 6 -1.920 -9.195 -1.059 1.00 0.00 N ATOM 101 CA ILE A 6 -2.055 -7.785 -1.380 1.00 0.00 C ATOM 102 C ILE A 6 -0.768 -7.086 -0.951 1.00 0.00 C ATOM 103 O ILE A 6 -0.239 -7.389 0.117 1.00 0.00 O ATOM 104 CB ILE A 6 -3.259 -7.151 -0.654 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.567 -7.760 -1.160 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.264 -5.643 -0.845 1.00 0.00 C ATOM 107 CD1 ILE A 6 -4.968 -9.022 -0.428 1.00 0.00 C ATOM 0 H ILE A 6 -1.368 -9.369 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.226 -7.673 -2.451 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.169 -7.361 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.364 -7.023 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.468 -7.982 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.121 -5.213 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.345 -5.222 -0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.330 -5.411 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.905 -9.399 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.190 -9.775 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.099 -8.802 0.631 1.00 0.00 H new ATOM 119 N ALA A 7 -0.265 -6.140 -1.736 1.00 0.00 N ATOM 120 CA ALA A 7 0.941 -5.421 -1.344 1.00 0.00 C ATOM 121 C ALA A 7 0.677 -3.934 -1.410 1.00 0.00 C ATOM 122 O ALA A 7 0.277 -3.448 -2.451 1.00 0.00 O ATOM 123 CB ALA A 7 2.110 -5.799 -2.241 1.00 0.00 C ATOM 0 H ALA A 7 -0.664 -5.857 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 7 1.205 -5.695 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.999 -5.251 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.298 -6.870 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.872 -5.548 -3.275 1.00 0.00 H new ATOM 129 N VAL A 8 0.896 -3.206 -0.327 1.00 0.00 N ATOM 130 CA VAL A 8 0.653 -1.768 -0.349 1.00 0.00 C ATOM 131 C VAL A 8 1.806 -0.998 0.272 1.00 0.00 C ATOM 132 O VAL A 8 2.601 -1.548 1.028 1.00 0.00 O ATOM 133 CB VAL A 8 -0.668 -1.389 0.372 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.538 -2.617 0.607 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.388 -0.669 1.687 1.00 0.00 C ATOM 0 H VAL A 8 1.234 -3.574 0.562 1.00 0.00 H new ATOM 0 HA VAL A 8 0.565 -1.490 -1.399 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.215 -0.707 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.456 -2.321 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.784 -3.077 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.997 -3.333 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.331 -0.415 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.192 -1.319 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.175 0.243 1.490 1.00 0.00 H new ATOM 145 N GLY A 9 1.895 0.278 -0.069 1.00 0.00 N ATOM 146 CA GLY A 9 2.961 1.092 0.461 1.00 0.00 C ATOM 147 C GLY A 9 2.596 2.554 0.609 1.00 0.00 C ATOM 148 O GLY A 9 1.782 3.087 -0.143 1.00 0.00 O ATOM 0 H GLY A 9 1.252 0.759 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.256 0.700 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.829 1.008 -0.192 1.00 0.00 H new ATOM 152 N ILE A 10 3.243 3.202 1.568 1.00 0.00 N ATOM 153 CA ILE A 10 3.049 4.616 1.825 1.00 0.00 C ATOM 154 C ILE A 10 4.096 5.386 1.036 1.00 0.00 C ATOM 155 O ILE A 10 5.287 5.174 1.234 1.00 0.00 O ATOM 156 CB ILE A 10 3.198 4.941 3.330 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.023 3.866 4.049 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.833 5.079 3.986 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.282 4.173 5.507 1.00 0.00 C ATOM 0 H ILE A 10 3.918 2.757 2.190 1.00 0.00 H new ATOM 0 HA ILE A 10 2.041 4.900 1.521 1.00 0.00 H new ATOM 0 HB ILE A 10 3.726 5.891 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.503 2.911 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.978 3.750 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.959 5.308 5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.278 5.884 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.282 4.144 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.871 3.369 5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.830 5.112 5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.332 4.260 6.035 1.00 0.00 H new ATOM 171 N ILE A 11 3.664 6.253 0.124 1.00 0.00 N ATOM 172 CA ILE A 11 4.613 6.998 -0.700 1.00 0.00 C ATOM 173 C ILE A 11 5.194 8.213 0.011 1.00 0.00 C ATOM 174 O ILE A 11 4.498 9.184 0.285 1.00 0.00 O ATOM 175 CB ILE A 11 4.005 7.458 -2.038 1.00 0.00 C ATOM 176 CG1 ILE A 11 2.851 6.542 -2.461 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.091 7.485 -3.108 1.00 0.00 C ATOM 178 CD1 ILE A 11 2.614 6.525 -3.954 1.00 0.00 C ATOM 0 H ILE A 11 2.682 6.455 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 11 5.416 6.287 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 11 3.600 8.462 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.060 5.527 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.939 6.864 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.661 7.811 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.878 8.178 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.512 6.486 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.784 5.857 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.374 7.532 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.513 6.174 -4.461 1.00 0.00 H new ATOM 190 N ARG A 12 6.487 8.128 0.289 1.00 0.00 N ATOM 191 CA ARG A 12 7.218 9.205 0.961 1.00 0.00 C ATOM 192 C ARG A 12 7.692 10.245 -0.051 1.00 0.00 C ATOM 193 O ARG A 12 8.019 9.905 -1.188 1.00 0.00 O ATOM 194 CB ARG A 12 8.412 8.646 1.732 1.00 0.00 C ATOM 195 CG ARG A 12 8.117 8.403 3.202 1.00 0.00 C ATOM 196 CD ARG A 12 8.658 9.525 4.074 1.00 0.00 C ATOM 197 NE ARG A 12 10.118 9.548 4.093 1.00 0.00 N ATOM 198 CZ ARG A 12 10.864 8.739 4.843 1.00 0.00 C ATOM 199 NH1 ARG A 12 10.291 7.840 5.633 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.186 8.828 4.802 1.00 0.00 N ATOM 0 H ARG A 12 7.061 7.317 0.059 1.00 0.00 H new ATOM 0 HA ARG A 12 6.540 9.685 1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.726 7.709 1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.248 9.340 1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.040 8.315 3.348 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.559 7.456 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.285 10.481 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.284 9.406 5.091 1.00 0.00 H new ATOM 0 HE ARG A 12 10.595 10.224 3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.274 7.766 5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.867 7.223 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.632 9.516 4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.757 8.208 5.377 1.00 0.00 H new ATOM 214 N ASN A 13 7.766 11.508 0.373 1.00 0.00 N ATOM 215 CA ASN A 13 8.241 12.579 -0.497 1.00 0.00 C ATOM 216 C ASN A 13 9.258 13.474 0.212 1.00 0.00 C ATOM 217 O ASN A 13 9.691 13.197 1.331 1.00 0.00 O ATOM 218 CB ASN A 13 7.084 13.420 -1.049 1.00 0.00 C ATOM 219 CG ASN A 13 6.104 13.857 0.013 1.00 0.00 C ATOM 220 OD1 ASN A 13 4.913 13.573 -0.077 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.593 14.565 1.021 1.00 0.00 N ATOM 0 H ASN A 13 7.503 11.811 1.311 1.00 0.00 H new ATOM 0 HA ASN A 13 8.740 12.098 -1.338 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.489 14.302 -1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.554 12.843 -1.807 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.973 14.896 1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.590 14.779 1.058 1.00 0.00 H new ATOM 228 N GLU A 14 9.611 14.555 -0.468 1.00 0.00 N ATOM 229 CA GLU A 14 10.555 15.543 0.031 1.00 0.00 C ATOM 230 C GLU A 14 10.221 15.987 1.449 1.00 0.00 C ATOM 231 O GLU A 14 11.056 15.941 2.354 1.00 0.00 O ATOM 232 CB GLU A 14 10.523 16.759 -0.895 1.00 0.00 C ATOM 233 CG GLU A 14 11.388 17.919 -0.425 1.00 0.00 C ATOM 234 CD GLU A 14 12.819 17.502 -0.145 1.00 0.00 C ATOM 235 OE1 GLU A 14 13.392 16.755 -0.966 1.00 0.00 O ATOM 236 OE2 GLU A 14 13.367 17.921 0.896 1.00 0.00 O ATOM 0 H GLU A 14 9.244 14.773 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 14 11.546 15.089 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.851 16.454 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.493 17.103 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.383 18.702 -1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.955 18.348 0.479 1.00 0.00 H new ATOM 243 N ASN A 15 9.003 16.457 1.600 1.00 0.00 N ATOM 244 CA ASN A 15 8.507 16.980 2.875 1.00 0.00 C ATOM 245 C ASN A 15 8.474 15.934 3.992 1.00 0.00 C ATOM 246 O ASN A 15 8.265 16.283 5.155 1.00 0.00 O ATOM 247 CB ASN A 15 7.108 17.567 2.686 1.00 0.00 C ATOM 248 CG ASN A 15 6.599 18.268 3.930 1.00 0.00 C ATOM 249 OD1 ASN A 15 5.514 17.967 4.428 1.00 0.00 O ATOM 250 ND2 ASN A 15 7.384 19.210 4.441 1.00 0.00 N ATOM 0 H ASN A 15 8.318 16.492 0.845 1.00 0.00 H new ATOM 0 HA ASN A 15 9.210 17.752 3.186 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.123 18.273 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.417 16.769 2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.095 19.716 5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.276 19.428 3.996 1.00 0.00 H new ATOM 257 N ASN A 16 8.645 14.660 3.647 1.00 0.00 N ATOM 258 CA ASN A 16 8.601 13.579 4.640 1.00 0.00 C ATOM 259 C ASN A 16 7.152 13.198 4.951 1.00 0.00 C ATOM 260 O ASN A 16 6.876 12.393 5.845 1.00 0.00 O ATOM 261 CB ASN A 16 9.338 13.965 5.924 1.00 0.00 C ATOM 262 CG ASN A 16 10.382 12.941 6.322 1.00 0.00 C ATOM 263 OD1 ASN A 16 11.566 13.095 6.018 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.949 11.888 7.005 1.00 0.00 N ATOM 0 H ASN A 16 8.815 14.347 2.691 1.00 0.00 H new ATOM 0 HA ASN A 16 9.110 12.715 4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.818 14.934 5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.617 14.078 6.734 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.606 11.166 7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.959 11.801 7.235 1.00 0.00 H new ATOM 271 N GLU A 17 6.232 13.755 4.173 1.00 0.00 N ATOM 272 CA GLU A 17 4.819 13.460 4.311 1.00 0.00 C ATOM 273 C GLU A 17 4.429 12.539 3.162 1.00 0.00 C ATOM 274 O GLU A 17 4.902 12.722 2.049 1.00 0.00 O ATOM 275 CB GLU A 17 4.002 14.758 4.311 1.00 0.00 C ATOM 276 CG GLU A 17 3.862 15.414 2.948 1.00 0.00 C ATOM 277 CD GLU A 17 3.153 16.752 3.018 1.00 0.00 C ATOM 278 OE1 GLU A 17 2.318 16.933 3.929 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.435 17.619 2.164 1.00 0.00 O ATOM 0 H GLU A 17 6.448 14.422 3.432 1.00 0.00 H new ATOM 0 HA GLU A 17 4.612 12.963 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.007 14.546 4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.469 15.467 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.851 15.553 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.311 14.749 2.283 1.00 0.00 H new ATOM 286 N ILE A 18 3.667 11.490 3.437 1.00 0.00 N ATOM 287 CA ILE A 18 3.362 10.512 2.412 1.00 0.00 C ATOM 288 C ILE A 18 1.952 10.634 1.838 1.00 0.00 C ATOM 289 O ILE A 18 0.950 10.550 2.547 1.00 0.00 O ATOM 290 CB ILE A 18 3.612 9.079 2.960 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.317 8.269 3.091 1.00 0.00 C ATOM 292 CG2 ILE A 18 4.333 9.121 4.302 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.748 7.806 1.767 1.00 0.00 C ATOM 0 H ILE A 18 3.255 11.299 4.350 1.00 0.00 H new ATOM 0 HA ILE A 18 4.034 10.716 1.579 1.00 0.00 H new ATOM 0 HB ILE A 18 4.246 8.577 2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.506 7.398 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.571 8.876 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.494 8.104 4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.295 9.620 4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.727 9.668 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.833 7.240 1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.525 8.672 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.475 7.172 1.260 1.00 0.00 H new ATOM 305 N PHE A 19 1.912 10.865 0.526 1.00 0.00 N ATOM 306 CA PHE A 19 0.665 11.033 -0.211 1.00 0.00 C ATOM 307 C PHE A 19 -0.215 9.776 -0.179 1.00 0.00 C ATOM 308 O PHE A 19 0.066 8.780 -0.846 1.00 0.00 O ATOM 309 CB PHE A 19 0.977 11.445 -1.663 1.00 0.00 C ATOM 310 CG PHE A 19 0.347 10.572 -2.717 1.00 0.00 C ATOM 311 CD1 PHE A 19 -1.019 10.605 -2.939 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.127 9.716 -3.480 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.599 9.802 -3.904 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.553 8.910 -4.445 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.811 8.954 -4.657 1.00 0.00 C ATOM 0 H PHE A 19 2.747 10.941 -0.055 1.00 0.00 H new ATOM 0 HA PHE A 19 0.093 11.820 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.643 12.471 -1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.058 11.438 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.639 11.266 -2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.194 9.679 -3.318 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.666 9.838 -4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.170 8.247 -5.033 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.261 8.326 -5.411 1.00 0.00 H new ATOM 325 N ILE A 20 -1.297 9.859 0.582 1.00 0.00 N ATOM 326 CA ILE A 20 -2.253 8.766 0.684 1.00 0.00 C ATOM 327 C ILE A 20 -3.538 9.149 -0.041 1.00 0.00 C ATOM 328 O ILE A 20 -4.039 10.262 0.130 1.00 0.00 O ATOM 329 CB ILE A 20 -2.615 8.396 2.145 1.00 0.00 C ATOM 330 CG1 ILE A 20 -2.084 9.429 3.154 1.00 0.00 C ATOM 331 CG2 ILE A 20 -2.116 6.997 2.474 1.00 0.00 C ATOM 332 CD1 ILE A 20 -0.845 8.988 3.904 1.00 0.00 C ATOM 0 H ILE A 20 -1.536 10.678 1.141 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.775 7.897 0.232 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.702 8.407 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.863 10.356 2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.870 9.653 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.377 6.750 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.580 6.277 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.033 6.960 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.538 9.774 4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.063 8.079 4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.041 8.793 3.195 1.00 0.00 H new ATOM 344 N THR A 21 -4.081 8.238 -0.839 1.00 0.00 N ATOM 345 CA THR A 21 -5.314 8.528 -1.558 1.00 0.00 C ATOM 346 C THR A 21 -6.473 8.584 -0.573 1.00 0.00 C ATOM 347 O THR A 21 -6.850 7.567 0.006 1.00 0.00 O ATOM 348 CB THR A 21 -5.582 7.468 -2.627 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.907 7.576 -3.116 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.395 6.051 -2.133 1.00 0.00 C ATOM 0 H THR A 21 -3.695 7.308 -1.003 1.00 0.00 H new ATOM 0 HA THR A 21 -5.212 9.492 -2.056 1.00 0.00 H new ATOM 0 HB THR A 21 -4.849 7.661 -3.411 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.973 8.351 -3.712 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.602 5.353 -2.944 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.368 5.917 -1.792 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.080 5.860 -1.307 1.00 0.00 H new ATOM 358 N ARG A 22 -7.020 9.779 -0.370 1.00 0.00 N ATOM 359 CA ARG A 22 -8.119 9.962 0.569 1.00 0.00 C ATOM 360 C ARG A 22 -9.360 10.530 -0.111 1.00 0.00 C ATOM 361 O ARG A 22 -9.278 11.491 -0.875 1.00 0.00 O ATOM 362 CB ARG A 22 -7.682 10.885 1.711 1.00 0.00 C ATOM 363 CG ARG A 22 -7.506 12.338 1.299 1.00 0.00 C ATOM 364 CD ARG A 22 -7.284 13.234 2.506 1.00 0.00 C ATOM 365 NE ARG A 22 -7.200 14.645 2.134 1.00 0.00 N ATOM 366 CZ ARG A 22 -7.152 15.643 3.012 1.00 0.00 C ATOM 367 NH1 ARG A 22 -7.178 15.391 4.315 1.00 0.00 N ATOM 368 NH2 ARG A 22 -7.076 16.897 2.588 1.00 0.00 N ATOM 0 H ARG A 22 -6.720 10.632 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.380 8.981 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.421 10.832 2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.741 10.518 2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.659 12.425 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.388 12.672 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.099 13.094 3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.366 12.938 3.013 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.177 14.878 1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.235 14.428 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.141 16.160 4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.054 17.097 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.039 17.662 3.262 1.00 0.00 H new ATOM 493 N ASN A 31 -13.899 6.505 3.136 1.00 0.00 N ATOM 494 CA ASN A 31 -13.200 5.479 3.902 1.00 0.00 C ATOM 495 C ASN A 31 -12.216 4.712 3.022 1.00 0.00 C ATOM 496 O ASN A 31 -11.963 3.529 3.246 1.00 0.00 O ATOM 497 CB ASN A 31 -14.205 4.509 4.526 1.00 0.00 C ATOM 498 CG ASN A 31 -13.583 3.648 5.608 1.00 0.00 C ATOM 499 OD1 ASN A 31 -12.546 3.993 6.173 1.00 0.00 O ATOM 500 ND2 ASN A 31 -14.216 2.518 5.901 1.00 0.00 N ATOM 0 HA ASN A 31 -12.638 5.974 4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.036 5.073 4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.618 3.867 3.748 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.845 1.897 6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.074 2.271 5.407 1.00 0.00 H new ATOM 507 N LYS A 32 -11.669 5.391 2.018 1.00 0.00 N ATOM 508 CA LYS A 32 -10.718 4.768 1.104 1.00 0.00 C ATOM 509 C LYS A 32 -9.331 5.382 1.232 1.00 0.00 C ATOM 510 O LYS A 32 -8.544 5.369 0.287 1.00 0.00 O ATOM 511 CB LYS A 32 -11.211 4.866 -0.340 1.00 0.00 C ATOM 512 CG LYS A 32 -11.182 3.539 -1.080 1.00 0.00 C ATOM 513 CD LYS A 32 -12.408 2.696 -0.761 1.00 0.00 C ATOM 514 CE LYS A 32 -12.030 1.264 -0.412 1.00 0.00 C ATOM 515 NZ LYS A 32 -12.765 0.773 0.788 1.00 0.00 N ATOM 0 H LYS A 32 -11.868 6.371 1.817 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.644 3.716 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.230 5.253 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.595 5.587 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.133 3.721 -2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.281 2.989 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.950 3.143 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.083 2.696 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.245 0.614 -1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.957 1.206 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.480 -0.206 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.540 1.377 1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.788 0.804 0.605 1.00 0.00 H new ATOM 529 N LEU A 33 -9.044 5.918 2.407 1.00 0.00 N ATOM 530 CA LEU A 33 -7.750 6.544 2.679 1.00 0.00 C ATOM 531 C LEU A 33 -6.633 5.496 2.716 1.00 0.00 C ATOM 532 O LEU A 33 -5.933 5.358 3.719 1.00 0.00 O ATOM 533 CB LEU A 33 -7.807 7.296 4.012 1.00 0.00 C ATOM 534 CG LEU A 33 -6.830 8.464 4.151 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.989 9.134 5.507 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.399 7.992 3.954 1.00 0.00 C ATOM 0 H LEU A 33 -9.691 5.934 3.195 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.532 7.248 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.820 7.673 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.616 6.587 4.818 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.059 9.196 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.286 9.963 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.007 9.510 5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.789 8.410 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.719 8.838 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.158 7.239 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.292 7.560 2.959 1.00 0.00 H new ATOM 548 N GLU A 34 -6.471 4.756 1.620 1.00 0.00 N ATOM 549 CA GLU A 34 -5.446 3.718 1.540 1.00 0.00 C ATOM 550 C GLU A 34 -4.290 4.135 0.637 1.00 0.00 C ATOM 551 O GLU A 34 -4.242 5.263 0.150 1.00 0.00 O ATOM 552 CB GLU A 34 -6.059 2.411 1.032 1.00 0.00 C ATOM 553 CG GLU A 34 -5.399 1.164 1.604 1.00 0.00 C ATOM 554 CD GLU A 34 -4.838 0.255 0.528 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.638 -0.394 -0.178 1.00 0.00 O ATOM 556 OE2 GLU A 34 -3.598 0.191 0.392 1.00 0.00 O ATOM 0 H GLU A 34 -7.036 4.856 0.777 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.049 3.568 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.120 2.397 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.986 2.384 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.596 1.460 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.128 0.612 2.197 1.00 0.00 H new ATOM 563 N PHE A 35 -3.353 3.214 0.431 1.00 0.00 N ATOM 564 CA PHE A 35 -2.183 3.474 -0.401 1.00 0.00 C ATOM 565 C PHE A 35 -2.107 2.507 -1.587 1.00 0.00 C ATOM 566 O PHE A 35 -2.733 1.447 -1.581 1.00 0.00 O ATOM 567 CB PHE A 35 -0.898 3.366 0.435 1.00 0.00 C ATOM 568 CG PHE A 35 -1.137 3.263 1.917 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.679 2.113 2.468 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.820 4.317 2.755 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.901 2.019 3.829 1.00 0.00 C ATOM 572 CE2 PHE A 35 -1.039 4.229 4.117 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.581 3.078 4.655 1.00 0.00 C ATOM 0 H PHE A 35 -3.382 2.276 0.831 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.280 4.487 -0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.336 2.492 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.275 4.238 0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.931 1.281 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.396 5.220 2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.325 1.117 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.787 5.059 4.760 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.754 3.007 5.719 1.00 0.00 H new ATOM 583 N PRO A 36 -1.301 2.855 -2.608 1.00 0.00 N ATOM 584 CA PRO A 36 -1.090 2.022 -3.799 1.00 0.00 C ATOM 585 C PRO A 36 -0.754 0.581 -3.429 1.00 0.00 C ATOM 586 O PRO A 36 -0.472 0.287 -2.267 1.00 0.00 O ATOM 587 CB PRO A 36 0.106 2.678 -4.511 1.00 0.00 C ATOM 588 CG PRO A 36 0.654 3.674 -3.544 1.00 0.00 C ATOM 589 CD PRO A 36 -0.495 4.082 -2.672 1.00 0.00 C ATOM 0 HA PRO A 36 -1.985 1.971 -4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.858 1.936 -4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.206 3.162 -5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.458 3.239 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.072 4.535 -4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.161 4.400 -1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.055 4.913 -3.102 1.00 0.00 H new ATOM 597 N GLY A 37 -0.779 -0.319 -4.412 1.00 0.00 N ATOM 598 CA GLY A 37 -0.464 -1.707 -4.126 1.00 0.00 C ATOM 599 C GLY A 37 -1.670 -2.619 -4.038 1.00 0.00 C ATOM 600 O GLY A 37 -1.932 -3.250 -3.014 1.00 0.00 O ATOM 0 H GLY A 37 -1.008 -0.115 -5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.204 -2.082 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.082 -1.756 -3.184 1.00 0.00 H new ATOM 604 N GLY A 38 -2.387 -2.685 -5.133 1.00 0.00 N ATOM 605 CA GLY A 38 -3.566 -3.524 -5.230 1.00 0.00 C ATOM 606 C GLY A 38 -3.550 -4.382 -6.488 1.00 0.00 C ATOM 607 O GLY A 38 -3.709 -3.853 -7.588 1.00 0.00 O ATOM 0 H GLY A 38 -2.174 -2.162 -5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.627 -4.168 -4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.458 -2.898 -5.229 1.00 0.00 H new ATOM 611 N LYS A 39 -3.358 -5.705 -6.322 1.00 0.00 N ATOM 612 CA LYS A 39 -3.320 -6.660 -7.441 1.00 0.00 C ATOM 613 C LYS A 39 -1.921 -7.251 -7.628 1.00 0.00 C ATOM 614 O LYS A 39 -1.606 -7.790 -8.689 1.00 0.00 O ATOM 615 CB LYS A 39 -3.781 -6.028 -8.758 1.00 0.00 C ATOM 616 CG LYS A 39 -3.881 -7.024 -9.900 1.00 0.00 C ATOM 617 CD LYS A 39 -5.124 -6.790 -10.742 1.00 0.00 C ATOM 618 CE LYS A 39 -5.764 -8.101 -11.171 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.960 -8.432 -10.348 1.00 0.00 N ATOM 0 H LYS A 39 -3.225 -6.139 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.014 -7.458 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.754 -5.560 -8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.086 -5.236 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.995 -6.946 -10.530 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.899 -8.037 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.844 -6.202 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.862 -6.206 -11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.052 -8.038 -12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.033 -8.905 -11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.366 -9.333 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.682 -8.518 -9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.669 -7.677 -10.446 1.00 0.00 H new ATOM 633 N ILE A 40 -1.087 -7.165 -6.596 1.00 0.00 N ATOM 634 CA ILE A 40 0.265 -7.717 -6.676 1.00 0.00 C ATOM 635 C ILE A 40 0.207 -9.232 -6.693 1.00 0.00 C ATOM 636 O ILE A 40 1.019 -9.904 -7.327 1.00 0.00 O ATOM 637 CB ILE A 40 1.177 -7.233 -5.518 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.258 -8.263 -4.371 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.694 -5.889 -5.000 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.656 -8.438 -3.814 1.00 0.00 C ATOM 0 H ILE A 40 -1.317 -6.725 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 40 0.705 -7.353 -7.604 1.00 0.00 H new ATOM 0 HB ILE A 40 2.185 -7.121 -5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.591 -7.952 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.896 -9.226 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.341 -5.558 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.722 -5.157 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.328 -5.986 -4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.638 -9.176 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.323 -8.779 -4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.014 -7.486 -3.423 1.00 0.00 H new ATOM 652 N GLU A 41 -0.772 -9.747 -5.970 1.00 0.00 N ATOM 653 CA GLU A 41 -0.997 -11.178 -5.849 1.00 0.00 C ATOM 654 C GLU A 41 -0.844 -11.880 -7.196 1.00 0.00 C ATOM 655 O GLU A 41 0.213 -12.437 -7.492 1.00 0.00 O ATOM 656 CB GLU A 41 -2.388 -11.433 -5.262 1.00 0.00 C ATOM 657 CG GLU A 41 -3.445 -10.428 -5.722 1.00 0.00 C ATOM 658 CD GLU A 41 -4.679 -11.095 -6.299 1.00 0.00 C ATOM 659 OE1 GLU A 41 -4.584 -12.271 -6.708 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.742 -10.440 -6.343 1.00 0.00 O ATOM 0 H GLU A 41 -1.439 -9.180 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.244 -11.591 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.710 -12.437 -5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.324 -11.406 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.737 -9.803 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.010 -9.768 -6.472 1.00 0.00 H new ATOM 667 N MET A 42 -1.900 -11.842 -8.007 1.00 0.00 N ATOM 668 CA MET A 42 -1.888 -12.468 -9.331 1.00 0.00 C ATOM 669 C MET A 42 -1.194 -13.834 -9.306 1.00 0.00 C ATOM 670 O MET A 42 -1.836 -14.859 -9.077 1.00 0.00 O ATOM 671 CB MET A 42 -1.209 -11.544 -10.347 1.00 0.00 C ATOM 672 CG MET A 42 -2.045 -10.330 -10.717 1.00 0.00 C ATOM 673 SD MET A 42 -3.278 -10.698 -11.981 1.00 0.00 S ATOM 674 CE MET A 42 -4.605 -11.360 -10.977 1.00 0.00 C ATOM 0 H MET A 42 -2.779 -11.382 -7.770 1.00 0.00 H new ATOM 0 HA MET A 42 -2.923 -12.630 -9.631 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.255 -11.208 -9.940 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.987 -12.112 -11.251 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.545 -9.952 -9.825 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.389 -9.537 -11.075 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.564 -11.098 -11.423 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.514 -12.445 -10.923 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.545 -10.941 -9.973 1.00 0.00 H new ATOM 684 N GLY A 43 0.119 -13.844 -9.545 1.00 0.00 N ATOM 685 CA GLY A 43 0.861 -15.091 -9.544 1.00 0.00 C ATOM 686 C GLY A 43 2.360 -14.887 -9.611 1.00 0.00 C ATOM 687 O GLY A 43 3.090 -15.742 -10.110 1.00 0.00 O ATOM 0 H GLY A 43 0.677 -13.012 -9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.616 -15.652 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.544 -15.697 -10.393 1.00 0.00 H new ATOM 691 N GLU A 44 2.814 -13.752 -9.110 1.00 0.00 N ATOM 692 CA GLU A 44 4.236 -13.426 -9.111 1.00 0.00 C ATOM 693 C GLU A 44 4.898 -13.878 -7.811 1.00 0.00 C ATOM 694 O GLU A 44 4.330 -14.676 -7.065 1.00 0.00 O ATOM 695 CB GLU A 44 4.428 -11.922 -9.320 1.00 0.00 C ATOM 696 CG GLU A 44 5.032 -11.571 -10.670 1.00 0.00 C ATOM 697 CD GLU A 44 4.058 -10.844 -11.575 1.00 0.00 C ATOM 698 OE1 GLU A 44 3.179 -10.129 -11.049 1.00 0.00 O ATOM 699 OE2 GLU A 44 4.172 -10.989 -12.810 1.00 0.00 O ATOM 0 H GLU A 44 2.219 -13.035 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 44 4.714 -13.958 -9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.464 -11.423 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.071 -11.532 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.914 -10.949 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.367 -12.484 -11.162 1.00 0.00 H new ATOM 706 N THR A 45 6.095 -13.361 -7.536 1.00 0.00 N ATOM 707 CA THR A 45 6.812 -13.717 -6.320 1.00 0.00 C ATOM 708 C THR A 45 6.561 -12.669 -5.243 1.00 0.00 C ATOM 709 O THR A 45 6.183 -11.538 -5.552 1.00 0.00 O ATOM 710 CB THR A 45 8.315 -13.833 -6.605 1.00 0.00 C ATOM 711 OG1 THR A 45 8.583 -13.642 -7.982 1.00 0.00 O ATOM 712 CG2 THR A 45 8.900 -15.171 -6.208 1.00 0.00 C ATOM 0 H THR A 45 6.584 -12.698 -8.138 1.00 0.00 H new ATOM 0 HA THR A 45 6.449 -14.682 -5.966 1.00 0.00 H new ATOM 0 HB THR A 45 8.781 -13.056 -6.000 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.547 -13.718 -8.141 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.966 -15.185 -6.437 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.757 -15.328 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.400 -15.966 -6.762 1.00 0.00 H new ATOM 720 N PRO A 46 6.773 -13.016 -3.962 1.00 0.00 N ATOM 721 CA PRO A 46 6.574 -12.089 -2.850 1.00 0.00 C ATOM 722 C PRO A 46 7.151 -10.709 -3.149 1.00 0.00 C ATOM 723 O PRO A 46 6.680 -9.699 -2.626 1.00 0.00 O ATOM 724 CB PRO A 46 7.324 -12.754 -1.681 1.00 0.00 C ATOM 725 CG PRO A 46 8.011 -13.949 -2.261 1.00 0.00 C ATOM 726 CD PRO A 46 7.229 -14.322 -3.484 1.00 0.00 C ATOM 0 HA PRO A 46 5.518 -11.919 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.044 -12.066 -1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.634 -13.046 -0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.046 -13.719 -2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.033 -14.772 -1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.846 -14.834 -4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.396 -14.985 -3.250 1.00 0.00 H new ATOM 734 N GLU A 47 8.175 -10.675 -3.998 1.00 0.00 N ATOM 735 CA GLU A 47 8.817 -9.423 -4.374 1.00 0.00 C ATOM 736 C GLU A 47 8.403 -8.986 -5.779 1.00 0.00 C ATOM 737 O GLU A 47 8.042 -7.831 -5.993 1.00 0.00 O ATOM 738 CB GLU A 47 10.338 -9.565 -4.298 1.00 0.00 C ATOM 739 CG GLU A 47 10.922 -9.154 -2.955 1.00 0.00 C ATOM 740 CD GLU A 47 12.317 -8.574 -3.080 1.00 0.00 C ATOM 741 OE1 GLU A 47 13.188 -9.243 -3.672 1.00 0.00 O ATOM 742 OE2 GLU A 47 12.537 -7.448 -2.584 1.00 0.00 O ATOM 0 H GLU A 47 8.577 -11.503 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 47 8.492 -8.656 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.608 -10.601 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.791 -8.959 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.267 -8.419 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.950 -10.021 -2.295 1.00 0.00 H new ATOM 749 N GLN A 48 8.469 -9.910 -6.739 1.00 0.00 N ATOM 750 CA GLN A 48 8.117 -9.606 -8.125 1.00 0.00 C ATOM 751 C GLN A 48 6.616 -9.393 -8.303 1.00 0.00 C ATOM 752 O GLN A 48 6.162 -9.034 -9.389 1.00 0.00 O ATOM 753 CB GLN A 48 8.596 -10.725 -9.051 1.00 0.00 C ATOM 754 CG GLN A 48 10.089 -10.996 -8.956 1.00 0.00 C ATOM 755 CD GLN A 48 10.925 -9.764 -9.243 1.00 0.00 C ATOM 756 OE1 GLN A 48 11.730 -9.339 -8.416 1.00 0.00 O ATOM 757 NE2 GLN A 48 10.737 -9.183 -10.424 1.00 0.00 N ATOM 0 H GLN A 48 8.763 -10.874 -6.581 1.00 0.00 H new ATOM 0 HA GLN A 48 8.617 -8.674 -8.388 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.053 -11.640 -8.813 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.347 -10.465 -10.080 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.325 -11.366 -7.958 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.357 -11.784 -9.660 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.058 -9.569 -11.080 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.271 -8.351 -10.674 1.00 0.00 H new ATOM 766 N ALA A 49 5.849 -9.597 -7.240 1.00 0.00 N ATOM 767 CA ALA A 49 4.408 -9.404 -7.305 1.00 0.00 C ATOM 768 C ALA A 49 4.068 -7.927 -7.169 1.00 0.00 C ATOM 769 O ALA A 49 3.300 -7.378 -7.960 1.00 0.00 O ATOM 770 CB ALA A 49 3.714 -10.214 -6.220 1.00 0.00 C ATOM 0 H ALA A 49 6.198 -9.894 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 49 4.053 -9.754 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.637 -10.058 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.936 -11.272 -6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.071 -9.892 -5.242 1.00 0.00 H new ATOM 776 N VAL A 50 4.665 -7.285 -6.172 1.00 0.00 N ATOM 777 CA VAL A 50 4.445 -5.864 -5.947 1.00 0.00 C ATOM 778 C VAL A 50 5.278 -5.015 -6.899 1.00 0.00 C ATOM 779 O VAL A 50 4.843 -3.954 -7.326 1.00 0.00 O ATOM 780 CB VAL A 50 4.746 -5.438 -4.496 1.00 0.00 C ATOM 781 CG1 VAL A 50 6.071 -6.011 -4.020 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.738 -3.919 -4.381 1.00 0.00 C ATOM 0 H VAL A 50 5.303 -7.725 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 50 3.385 -5.695 -6.139 1.00 0.00 H new ATOM 0 HB VAL A 50 3.963 -5.839 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.257 -5.694 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.033 -7.100 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.875 -5.651 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.952 -3.631 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.498 -3.500 -5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.758 -3.538 -4.668 1.00 0.00 H new ATOM 792 N VAL A 51 6.482 -5.473 -7.218 1.00 0.00 N ATOM 793 CA VAL A 51 7.360 -4.722 -8.108 1.00 0.00 C ATOM 794 C VAL A 51 6.646 -4.349 -9.404 1.00 0.00 C ATOM 795 O VAL A 51 6.873 -3.274 -9.958 1.00 0.00 O ATOM 796 CB VAL A 51 8.651 -5.504 -8.435 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.556 -4.697 -9.357 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.387 -5.876 -7.157 1.00 0.00 C ATOM 0 H VAL A 51 6.871 -6.352 -6.878 1.00 0.00 H new ATOM 0 HA VAL A 51 7.635 -3.810 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 51 8.370 -6.421 -8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.459 -5.269 -9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.030 -4.484 -10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.828 -3.760 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.294 -6.426 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.651 -4.970 -6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.744 -6.499 -6.535 1.00 0.00 H new ATOM 808 N ARG A 52 5.785 -5.240 -9.888 1.00 0.00 N ATOM 809 CA ARG A 52 5.048 -4.986 -11.121 1.00 0.00 C ATOM 810 C ARG A 52 3.871 -4.045 -10.886 1.00 0.00 C ATOM 811 O ARG A 52 3.512 -3.252 -11.756 1.00 0.00 O ATOM 812 CB ARG A 52 4.564 -6.303 -11.736 1.00 0.00 C ATOM 813 CG ARG A 52 5.207 -6.620 -13.076 1.00 0.00 C ATOM 814 CD ARG A 52 4.969 -5.509 -14.086 1.00 0.00 C ATOM 815 NE ARG A 52 3.557 -5.147 -14.180 1.00 0.00 N ATOM 816 CZ ARG A 52 3.116 -4.004 -14.699 1.00 0.00 C ATOM 817 NH1 ARG A 52 3.974 -3.109 -15.174 1.00 0.00 N ATOM 818 NH2 ARG A 52 1.815 -3.755 -14.746 1.00 0.00 N ATOM 0 H ARG A 52 5.582 -6.138 -9.449 1.00 0.00 H new ATOM 0 HA ARG A 52 5.728 -4.499 -11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.771 -7.117 -11.041 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.482 -6.260 -11.862 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.279 -6.766 -12.941 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.803 -7.556 -13.462 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.550 -4.631 -13.803 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.328 -5.826 -15.065 1.00 0.00 H new ATOM 0 HE ARG A 52 2.868 -5.810 -13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.976 -3.296 -15.142 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.631 -2.234 -15.571 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.151 -4.440 -14.384 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.478 -2.879 -15.144 1.00 0.00 H new ATOM 832 N GLU A 53 3.306 -4.112 -9.692 1.00 0.00 N ATOM 833 CA GLU A 53 2.203 -3.235 -9.321 1.00 0.00 C ATOM 834 C GLU A 53 2.760 -1.865 -8.951 1.00 0.00 C ATOM 835 O GLU A 53 2.143 -0.837 -9.185 1.00 0.00 O ATOM 836 CB GLU A 53 1.413 -3.827 -8.153 1.00 0.00 C ATOM 837 CG GLU A 53 0.573 -5.033 -8.543 1.00 0.00 C ATOM 838 CD GLU A 53 -0.408 -4.722 -9.654 1.00 0.00 C ATOM 839 OE1 GLU A 53 -1.337 -3.922 -9.418 1.00 0.00 O ATOM 840 OE2 GLU A 53 -0.249 -5.280 -10.760 1.00 0.00 O ATOM 0 H GLU A 53 3.591 -4.764 -8.961 1.00 0.00 H new ATOM 0 HA GLU A 53 1.522 -3.134 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.107 -4.117 -7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.761 -3.058 -7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.231 -5.843 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.027 -5.389 -7.670 1.00 0.00 H new ATOM 847 N LEU A 54 3.921 -1.903 -8.314 1.00 0.00 N ATOM 848 CA LEU A 54 4.568 -0.692 -7.833 1.00 0.00 C ATOM 849 C LEU A 54 4.561 0.346 -8.943 1.00 0.00 C ATOM 850 O LEU A 54 4.183 1.497 -8.731 1.00 0.00 O ATOM 851 CB LEU A 54 6.001 -0.995 -7.404 1.00 0.00 C ATOM 852 CG LEU A 54 6.510 -0.145 -6.248 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.102 -0.757 -4.917 1.00 0.00 C ATOM 854 CD2 LEU A 54 8.017 0.017 -6.337 1.00 0.00 C ATOM 0 H LEU A 54 4.435 -2.762 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 54 4.026 -0.307 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.067 -2.046 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.660 -0.853 -8.260 1.00 0.00 H new ATOM 0 HG LEU A 54 6.058 0.845 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.474 -0.136 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.015 -0.815 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.524 -1.758 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.367 0.627 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.492 -0.963 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.276 0.504 -7.277 1.00 0.00 H new ATOM 866 N GLN A 55 4.963 -0.074 -10.131 1.00 0.00 N ATOM 867 CA GLN A 55 4.980 0.822 -11.287 1.00 0.00 C ATOM 868 C GLN A 55 3.553 1.089 -11.767 1.00 0.00 C ATOM 869 O GLN A 55 3.257 2.134 -12.345 1.00 0.00 O ATOM 870 CB GLN A 55 5.815 0.218 -12.419 1.00 0.00 C ATOM 871 CG GLN A 55 7.058 1.028 -12.755 1.00 0.00 C ATOM 872 CD GLN A 55 8.327 0.397 -12.217 1.00 0.00 C ATOM 873 OE1 GLN A 55 8.430 -0.824 -12.110 1.00 0.00 O ATOM 874 NE2 GLN A 55 9.303 1.231 -11.877 1.00 0.00 N ATOM 0 H GLN A 55 5.281 -1.023 -10.325 1.00 0.00 H new ATOM 0 HA GLN A 55 5.433 1.767 -10.988 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.114 -0.792 -12.140 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.195 0.132 -13.311 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.138 1.131 -13.837 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.954 2.033 -12.346 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.174 2.237 -11.983 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.182 0.865 -11.510 1.00 0.00 H new ATOM 883 N GLU A 56 2.678 0.123 -11.510 1.00 0.00 N ATOM 884 CA GLU A 56 1.274 0.220 -11.895 1.00 0.00 C ATOM 885 C GLU A 56 0.507 1.137 -10.952 1.00 0.00 C ATOM 886 O GLU A 56 -0.517 1.707 -11.325 1.00 0.00 O ATOM 887 CB GLU A 56 0.626 -1.163 -11.884 1.00 0.00 C ATOM 888 CG GLU A 56 -0.481 -1.329 -12.913 1.00 0.00 C ATOM 889 CD GLU A 56 -1.742 -1.933 -12.323 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.070 -1.609 -11.161 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.401 -2.730 -13.024 1.00 0.00 O ATOM 0 H GLU A 56 2.920 -0.745 -11.032 1.00 0.00 H new ATOM 0 HA GLU A 56 1.235 0.638 -12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.394 -1.915 -12.065 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.219 -1.356 -10.891 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.717 -0.357 -13.347 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.125 -1.963 -13.725 1.00 0.00 H new ATOM 898 N GLU A 57 0.993 1.256 -9.722 1.00 0.00 N ATOM 899 CA GLU A 57 0.339 2.082 -8.719 1.00 0.00 C ATOM 900 C GLU A 57 1.141 3.351 -8.426 1.00 0.00 C ATOM 901 O GLU A 57 0.781 4.133 -7.545 1.00 0.00 O ATOM 902 CB GLU A 57 0.129 1.277 -7.435 1.00 0.00 C ATOM 903 CG GLU A 57 -0.364 -0.142 -7.682 1.00 0.00 C ATOM 904 CD GLU A 57 -1.868 -0.216 -7.865 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.419 0.637 -8.591 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.492 -1.130 -7.287 1.00 0.00 O ATOM 0 H GLU A 57 1.840 0.789 -9.397 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.630 2.388 -9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.068 1.236 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.590 1.798 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.126 -0.543 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.073 -0.775 -6.844 1.00 0.00 H new ATOM 913 N VAL A 58 2.214 3.560 -9.184 1.00 0.00 N ATOM 914 CA VAL A 58 3.051 4.741 -9.024 1.00 0.00 C ATOM 915 C VAL A 58 3.359 5.341 -10.385 1.00 0.00 C ATOM 916 O VAL A 58 3.282 6.553 -10.582 1.00 0.00 O ATOM 917 CB VAL A 58 4.376 4.415 -8.309 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.156 5.687 -8.018 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.118 3.647 -7.025 1.00 0.00 C ATOM 0 H VAL A 58 2.524 2.923 -9.918 1.00 0.00 H new ATOM 0 HA VAL A 58 2.498 5.452 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 58 4.973 3.788 -8.971 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.088 5.435 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.378 6.200 -8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.562 6.340 -7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.067 3.427 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.498 4.248 -6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.604 2.714 -7.256 1.00 0.00 H new ATOM 929 N GLY A 59 3.694 4.467 -11.330 1.00 0.00 N ATOM 930 CA GLY A 59 3.997 4.894 -12.680 1.00 0.00 C ATOM 931 C GLY A 59 5.311 5.628 -12.808 1.00 0.00 C ATOM 932 O GLY A 59 6.067 5.412 -13.755 1.00 0.00 O ATOM 0 H GLY A 59 3.761 3.460 -11.179 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.015 4.021 -13.332 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.195 5.541 -13.035 1.00 0.00 H new ATOM 936 N ILE A 60 5.576 6.499 -11.860 1.00 0.00 N ATOM 937 CA ILE A 60 6.798 7.283 -11.858 1.00 0.00 C ATOM 938 C ILE A 60 7.981 6.452 -11.381 1.00 0.00 C ATOM 939 O ILE A 60 7.853 5.256 -11.124 1.00 0.00 O ATOM 940 CB ILE A 60 6.697 8.544 -10.962 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.575 8.438 -9.926 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.516 9.790 -11.813 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.840 9.259 -8.681 1.00 0.00 C ATOM 0 H ILE A 60 4.957 6.686 -11.071 1.00 0.00 H new ATOM 0 HA ILE A 60 6.948 7.599 -12.890 1.00 0.00 H new ATOM 0 HB ILE A 60 7.635 8.619 -10.412 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.639 8.765 -10.378 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.445 7.393 -9.645 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.447 10.665 -11.167 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.369 9.900 -12.483 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.602 9.700 -12.400 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.009 9.143 -7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.760 8.916 -8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.941 10.310 -8.953 1.00 0.00 H new ATOM 955 N THR A 61 9.133 7.104 -11.270 1.00 0.00 N ATOM 956 CA THR A 61 10.349 6.465 -10.826 1.00 0.00 C ATOM 957 C THR A 61 10.728 6.999 -9.450 1.00 0.00 C ATOM 958 O THR A 61 11.415 8.014 -9.340 1.00 0.00 O ATOM 959 CB THR A 61 11.443 6.784 -11.826 1.00 0.00 C ATOM 960 OG1 THR A 61 11.268 8.086 -12.354 1.00 0.00 O ATOM 961 CG2 THR A 61 11.485 5.822 -12.990 1.00 0.00 C ATOM 0 H THR A 61 9.242 8.094 -11.488 1.00 0.00 H new ATOM 0 HA THR A 61 10.211 5.386 -10.757 1.00 0.00 H new ATOM 0 HB THR A 61 12.378 6.701 -11.272 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.903 8.700 -11.929 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.290 6.106 -13.668 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.661 4.812 -12.621 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.534 5.853 -13.522 1.00 0.00 H new ATOM 969 N PRO A 62 10.230 6.365 -8.379 1.00 0.00 N ATOM 970 CA PRO A 62 10.450 6.811 -7.020 1.00 0.00 C ATOM 971 C PRO A 62 11.349 5.916 -6.183 1.00 0.00 C ATOM 972 O PRO A 62 11.364 4.698 -6.356 1.00 0.00 O ATOM 973 CB PRO A 62 9.027 6.688 -6.500 1.00 0.00 C ATOM 974 CG PRO A 62 8.548 5.399 -7.093 1.00 0.00 C ATOM 975 CD PRO A 62 9.325 5.207 -8.379 1.00 0.00 C ATOM 0 HA PRO A 62 10.943 7.782 -6.974 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.999 6.664 -5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.410 7.529 -6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.719 4.569 -6.408 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.476 5.436 -7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.872 4.264 -8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.671 5.203 -9.251 1.00 0.00 H new ATOM 983 N GLN A 63 12.031 6.520 -5.212 1.00 0.00 N ATOM 984 CA GLN A 63 12.842 5.748 -4.292 1.00 0.00 C ATOM 985 C GLN A 63 11.866 5.110 -3.320 1.00 0.00 C ATOM 986 O GLN A 63 11.621 5.617 -2.226 1.00 0.00 O ATOM 987 CB GLN A 63 13.840 6.642 -3.555 1.00 0.00 C ATOM 988 CG GLN A 63 14.925 7.213 -4.454 1.00 0.00 C ATOM 989 CD GLN A 63 15.774 8.255 -3.752 1.00 0.00 C ATOM 990 OE1 GLN A 63 16.072 9.309 -4.312 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.170 7.962 -2.518 1.00 0.00 N ATOM 0 H GLN A 63 12.035 7.527 -5.048 1.00 0.00 H new ATOM 0 HA GLN A 63 13.434 4.998 -4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.300 7.464 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.307 6.068 -2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.565 6.403 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.464 7.659 -5.336 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.899 7.075 -2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.745 8.624 -1.996 1.00 0.00 H new ATOM 1000 N HIS A 64 11.270 4.025 -3.776 1.00 0.00 N ATOM 1001 CA HIS A 64 10.252 3.316 -3.021 1.00 0.00 C ATOM 1002 C HIS A 64 10.648 1.867 -2.820 1.00 0.00 C ATOM 1003 O HIS A 64 10.999 1.175 -3.776 1.00 0.00 O ATOM 1004 CB HIS A 64 8.939 3.435 -3.803 1.00 0.00 C ATOM 1005 CG HIS A 64 7.825 2.509 -3.385 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.495 2.847 -3.527 1.00 0.00 N ATOM 1007 CD2 HIS A 64 7.834 1.260 -2.851 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.739 1.852 -3.097 1.00 0.00 C ATOM 1009 NE2 HIS A 64 6.526 0.880 -2.682 1.00 0.00 N ATOM 0 H HIS A 64 11.478 3.608 -4.683 1.00 0.00 H new ATOM 0 HA HIS A 64 10.135 3.748 -2.027 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.581 4.461 -3.716 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.152 3.260 -4.857 1.00 0.00 H new ATOM 0 HD1 HIS A 64 6.149 3.729 -3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.708 0.675 -2.605 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.659 1.838 -3.087 1.00 0.00 H new ATOM 1018 N PHE A 65 10.594 1.405 -1.571 1.00 0.00 N ATOM 1019 CA PHE A 65 10.953 0.040 -1.257 1.00 0.00 C ATOM 1020 C PHE A 65 10.994 -0.192 0.255 1.00 0.00 C ATOM 1021 O PHE A 65 10.563 0.645 1.037 1.00 0.00 O ATOM 1022 CB PHE A 65 12.327 -0.243 -1.832 1.00 0.00 C ATOM 1023 CG PHE A 65 12.444 -1.578 -2.510 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.473 -1.997 -3.405 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.524 -2.411 -2.261 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.573 -3.220 -4.038 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.631 -3.636 -2.894 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.653 -4.041 -3.783 1.00 0.00 C ATOM 0 H PHE A 65 10.304 1.962 -0.767 1.00 0.00 H new ATOM 0 HA PHE A 65 10.203 -0.624 -1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.578 0.540 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.063 -0.189 -1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.627 -1.358 -3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.290 -2.100 -1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.807 -3.534 -4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.478 -4.276 -2.694 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.734 -4.998 -4.277 1.00 0.00 H new ATOM 1038 N SER A 66 11.550 -1.332 0.637 1.00 0.00 N ATOM 1039 CA SER A 66 11.710 -1.709 2.043 1.00 0.00 C ATOM 1040 C SER A 66 10.378 -1.769 2.775 1.00 0.00 C ATOM 1041 O SER A 66 9.863 -0.751 3.230 1.00 0.00 O ATOM 1042 CB SER A 66 12.649 -0.727 2.749 1.00 0.00 C ATOM 1043 OG SER A 66 11.989 0.490 3.047 1.00 0.00 O ATOM 0 H SER A 66 11.906 -2.028 -0.018 1.00 0.00 H new ATOM 0 HA SER A 66 12.143 -2.709 2.064 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.023 -1.176 3.669 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.514 -0.529 2.116 1.00 0.00 H new ATOM 0 HG SER A 66 11.074 0.460 2.699 1.00 0.00 H new ATOM 1049 N LEU A 67 9.824 -2.972 2.885 1.00 0.00 N ATOM 1050 CA LEU A 67 8.549 -3.173 3.559 1.00 0.00 C ATOM 1051 C LEU A 67 8.595 -2.739 5.017 1.00 0.00 C ATOM 1052 O LEU A 67 9.465 -3.164 5.777 1.00 0.00 O ATOM 1053 CB LEU A 67 8.133 -4.642 3.470 1.00 0.00 C ATOM 1054 CG LEU A 67 9.137 -5.636 4.060 1.00 0.00 C ATOM 1055 CD1 LEU A 67 8.424 -6.676 4.911 1.00 0.00 C ATOM 1056 CD2 LEU A 67 9.936 -6.308 2.954 1.00 0.00 C ATOM 0 H LEU A 67 10.241 -3.825 2.514 1.00 0.00 H new ATOM 0 HA LEU A 67 7.813 -2.549 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.179 -4.765 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.968 -4.894 2.423 1.00 0.00 H new ATOM 0 HG LEU A 67 9.829 -5.086 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.154 -7.373 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.898 -6.180 5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.708 -7.221 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.644 -7.011 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.258 -6.843 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.479 -5.552 2.387 1.00 0.00 H new ATOM 1068 N PHE A 68 7.633 -1.904 5.406 1.00 0.00 N ATOM 1069 CA PHE A 68 7.541 -1.430 6.779 1.00 0.00 C ATOM 1070 C PHE A 68 6.963 -2.538 7.657 1.00 0.00 C ATOM 1071 O PHE A 68 7.329 -2.689 8.822 1.00 0.00 O ATOM 1072 CB PHE A 68 6.679 -0.155 6.845 1.00 0.00 C ATOM 1073 CG PHE A 68 5.472 -0.243 7.744 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.401 -1.058 7.411 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.406 0.496 8.914 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.289 -1.136 8.230 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.297 0.423 9.737 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.237 -0.394 9.394 1.00 0.00 C ATOM 0 H PHE A 68 6.907 -1.543 4.786 1.00 0.00 H new ATOM 0 HA PHE A 68 8.534 -1.176 7.149 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.305 0.671 7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.345 0.091 5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.435 -1.639 6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.231 1.137 9.187 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.462 -1.776 7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.260 1.004 10.647 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.369 -0.452 10.035 1.00 0.00 H new ATOM 1088 N GLU A 69 6.056 -3.314 7.066 1.00 0.00 N ATOM 1089 CA GLU A 69 5.410 -4.423 7.755 1.00 0.00 C ATOM 1090 C GLU A 69 4.586 -5.252 6.774 1.00 0.00 C ATOM 1091 O GLU A 69 4.340 -4.829 5.647 1.00 0.00 O ATOM 1092 CB GLU A 69 4.514 -3.902 8.881 1.00 0.00 C ATOM 1093 CG GLU A 69 4.523 -4.780 10.121 1.00 0.00 C ATOM 1094 CD GLU A 69 3.644 -4.233 11.229 1.00 0.00 C ATOM 1095 OE1 GLU A 69 3.932 -3.122 11.722 1.00 0.00 O ATOM 1096 OE2 GLU A 69 2.667 -4.916 11.604 1.00 0.00 O ATOM 0 H GLU A 69 5.751 -3.190 6.100 1.00 0.00 H new ATOM 0 HA GLU A 69 6.184 -5.057 8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.836 -2.897 9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.492 -3.819 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.185 -5.782 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.545 -4.875 10.487 1.00 0.00 H new ATOM 1103 N LYS A 70 4.158 -6.430 7.207 1.00 0.00 N ATOM 1104 CA LYS A 70 3.348 -7.309 6.370 1.00 0.00 C ATOM 1105 C LYS A 70 2.314 -8.028 7.233 1.00 0.00 C ATOM 1106 O LYS A 70 2.651 -8.550 8.295 1.00 0.00 O ATOM 1107 CB LYS A 70 4.236 -8.322 5.636 1.00 0.00 C ATOM 1108 CG LYS A 70 4.706 -9.480 6.506 1.00 0.00 C ATOM 1109 CD LYS A 70 5.543 -8.997 7.680 1.00 0.00 C ATOM 1110 CE LYS A 70 6.345 -10.131 8.299 1.00 0.00 C ATOM 1111 NZ LYS A 70 6.013 -10.327 9.738 1.00 0.00 N ATOM 0 H LYS A 70 4.358 -6.801 8.136 1.00 0.00 H new ATOM 0 HA LYS A 70 2.830 -6.709 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.686 -8.721 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.108 -7.803 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.842 -10.031 6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.291 -10.174 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.221 -8.211 7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.892 -8.556 8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.150 -11.054 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.410 -9.920 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.581 -11.109 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.223 -9.455 10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.003 -10.554 9.833 1.00 0.00 H new ATOM 1125 N LEU A 71 1.056 -8.043 6.800 1.00 0.00 N ATOM 1126 CA LEU A 71 0.016 -8.691 7.584 1.00 0.00 C ATOM 1127 C LEU A 71 -0.298 -10.102 7.085 1.00 0.00 C ATOM 1128 O LEU A 71 -0.763 -10.307 5.965 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.255 -7.831 7.565 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.570 -8.574 7.836 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -2.707 -8.895 9.316 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.753 -7.750 7.350 1.00 0.00 C ATOM 0 H LEU A 71 0.739 -7.622 5.927 1.00 0.00 H new ATOM 0 HA LEU A 71 0.386 -8.788 8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.147 -7.041 8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.328 -7.346 6.592 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.558 -9.514 7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.646 -9.422 9.489 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.874 -9.524 9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.699 -7.969 9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.679 -8.290 7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.770 -6.794 7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.658 -7.575 6.278 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.007 -11.059 7.952 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.216 -12.457 7.645 1.00 0.00 C ATOM 1146 C GLU A 72 -1.284 -13.072 8.545 1.00 0.00 C ATOM 1147 O GLU A 72 -1.065 -13.299 9.735 1.00 0.00 O ATOM 1148 CB GLU A 72 1.102 -13.211 7.783 1.00 0.00 C ATOM 1149 CG GLU A 72 0.951 -14.700 7.595 1.00 0.00 C ATOM 1150 CD GLU A 72 2.249 -15.455 7.803 1.00 0.00 C ATOM 1151 OE1 GLU A 72 2.555 -15.802 8.963 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.959 -15.701 6.806 1.00 0.00 O ATOM 0 H GLU A 72 0.378 -10.886 8.881 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.572 -12.536 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.812 -12.828 7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.525 -13.016 8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.202 -15.075 8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.578 -14.898 6.590 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.440 -13.347 7.944 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.566 -13.949 8.650 1.00 0.00 C ATOM 1161 C TYR A 73 -4.290 -14.941 7.743 1.00 0.00 C ATOM 1162 O TYR A 73 -4.486 -14.676 6.557 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.537 -12.869 9.125 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.283 -13.236 10.389 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -4.617 -13.792 11.474 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.652 -13.029 10.494 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -5.295 -14.130 12.629 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.337 -13.366 11.647 1.00 0.00 C ATOM 1169 CZ TYR A 73 -6.654 -13.915 12.710 1.00 0.00 C ATOM 1170 OH TYR A 73 -7.333 -14.251 13.860 1.00 0.00 O ATOM 0 H TYR A 73 -2.621 -13.159 6.958 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.183 -14.482 9.520 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.984 -11.945 9.295 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.258 -12.668 8.333 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.552 -13.963 11.413 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.190 -12.598 9.663 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.763 -14.561 13.464 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.402 -13.200 11.714 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.283 -14.035 13.754 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.688 -16.081 8.297 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.392 -17.094 7.513 1.00 0.00 C ATOM 1182 C GLU A 74 -6.786 -17.362 8.061 1.00 0.00 C ATOM 1183 O GLU A 74 -6.950 -17.896 9.158 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.601 -18.403 7.449 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.908 -18.770 8.749 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.676 -19.628 8.533 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -1.613 -19.065 8.198 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -2.777 -20.862 8.695 1.00 0.00 O ATOM 0 H GLU A 74 -4.538 -16.327 9.275 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.489 -16.695 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.277 -19.211 7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.853 -18.325 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.623 -17.858 9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.609 -19.303 9.392 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.786 -16.995 7.271 1.00 0.00 N ATOM 1196 CA PHE A 75 -9.178 -17.191 7.632 1.00 0.00 C ATOM 1197 C PHE A 75 -9.635 -18.591 7.222 1.00 0.00 C ATOM 1198 O PHE A 75 -8.982 -19.242 6.409 1.00 0.00 O ATOM 1199 CB PHE A 75 -10.042 -16.128 6.951 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.412 -14.978 7.845 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -9.480 -13.998 8.153 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -11.688 -14.874 8.375 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -9.815 -12.938 8.973 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -12.028 -13.815 9.196 1.00 0.00 C ATOM 1205 CZ PHE A 75 -11.091 -12.847 9.496 1.00 0.00 C ATOM 0 H PHE A 75 -7.652 -16.553 6.362 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.285 -17.095 8.712 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.509 -15.743 6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.954 -16.597 6.583 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.481 -14.064 7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -12.425 -15.629 8.144 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.080 -12.181 9.205 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -13.026 -13.745 9.602 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.355 -12.020 10.138 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.763 -19.069 7.785 1.00 0.00 N ATOM 1216 CA PRO A 76 -11.334 -20.385 7.504 1.00 0.00 C ATOM 1217 C PRO A 76 -11.111 -20.851 6.067 1.00 0.00 C ATOM 1218 O PRO A 76 -12.001 -20.757 5.223 1.00 0.00 O ATOM 1219 CB PRO A 76 -12.835 -20.185 7.785 1.00 0.00 C ATOM 1220 CG PRO A 76 -12.972 -18.810 8.372 1.00 0.00 C ATOM 1221 CD PRO A 76 -11.588 -18.359 8.749 1.00 0.00 C ATOM 0 HA PRO A 76 -10.865 -21.161 8.110 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.418 -20.277 6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.206 -20.942 8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.419 -18.125 7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.625 -18.825 9.245 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.474 -17.278 8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.337 -18.627 9.775 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.908 -21.359 5.815 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.516 -21.864 4.495 1.00 0.00 C ATOM 1231 C ASP A 77 -8.960 -20.751 3.611 1.00 0.00 C ATOM 1232 O ASP A 77 -7.905 -20.904 2.996 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.695 -22.548 3.792 1.00 0.00 C ATOM 1234 CG ASP A 77 -10.245 -23.496 2.698 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -9.735 -24.586 3.030 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -10.404 -23.148 1.509 1.00 0.00 O ATOM 0 H ASP A 77 -9.174 -21.434 6.519 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.728 -22.600 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.283 -23.098 4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.350 -21.789 3.364 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.675 -19.634 3.550 1.00 0.00 N ATOM 1242 CA ARG A 78 -9.251 -18.499 2.738 1.00 0.00 C ATOM 1243 C ARG A 78 -8.340 -17.570 3.535 1.00 0.00 C ATOM 1244 O ARG A 78 -8.801 -16.859 4.427 1.00 0.00 O ATOM 1245 CB ARG A 78 -10.472 -17.726 2.235 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.355 -17.277 0.788 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.125 -15.990 0.539 1.00 0.00 C ATOM 1248 NE ARG A 78 -12.479 -16.047 1.088 1.00 0.00 N ATOM 1249 CZ ARG A 78 -13.495 -16.665 0.491 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -13.316 -17.283 -0.669 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.695 -16.666 1.057 1.00 0.00 N ATOM 0 H ARG A 78 -10.551 -19.490 4.053 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.692 -18.881 1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.357 -18.353 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.623 -16.851 2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.305 -17.128 0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.733 -18.061 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.587 -15.154 0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.176 -15.800 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.655 -15.586 1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.395 -17.286 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.099 -17.755 -1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.838 -16.193 1.949 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.474 -17.140 0.600 1.00 0.00 H new ATOM 1265 N HIS A 79 -7.048 -17.578 3.217 1.00 0.00 N ATOM 1266 CA HIS A 79 -6.082 -16.738 3.908 1.00 0.00 C ATOM 1267 C HIS A 79 -5.844 -15.435 3.149 1.00 0.00 C ATOM 1268 O HIS A 79 -6.019 -15.371 1.932 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.768 -17.513 4.087 1.00 0.00 C ATOM 1270 CG HIS A 79 -3.536 -16.659 4.108 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -2.900 -16.280 5.270 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -2.818 -16.121 3.095 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -1.845 -15.544 4.971 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -1.772 -15.433 3.657 1.00 0.00 N ATOM 0 H HIS A 79 -6.648 -18.161 2.482 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.480 -16.476 4.888 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.819 -18.077 5.018 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.677 -18.239 3.279 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.197 -16.529 6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.029 -16.216 2.040 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.158 -15.107 5.681 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.430 -14.402 3.877 1.00 0.00 N ATOM 1284 CA ILE A 80 -5.150 -13.105 3.292 1.00 0.00 C ATOM 1285 C ILE A 80 -3.756 -12.644 3.710 1.00 0.00 C ATOM 1286 O ILE A 80 -3.344 -12.854 4.851 1.00 0.00 O ATOM 1287 CB ILE A 80 -6.197 -12.059 3.733 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.728 -10.651 3.378 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.462 -12.169 5.227 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.849 -9.716 2.984 1.00 0.00 C ATOM 0 H ILE A 80 -5.281 -14.445 4.885 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.197 -13.201 2.207 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.127 -12.258 3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.198 -10.229 4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.013 -10.712 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.202 -11.425 5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.838 -13.166 5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.536 -11.995 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.438 -8.735 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.365 -10.115 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.553 -9.623 3.811 1.00 0.00 H new ATOM 1302 N THR A 81 -3.032 -12.016 2.792 1.00 0.00 N ATOM 1303 CA THR A 81 -1.691 -11.532 3.084 1.00 0.00 C ATOM 1304 C THR A 81 -1.505 -10.113 2.554 1.00 0.00 C ATOM 1305 O THR A 81 -1.596 -9.880 1.350 1.00 0.00 O ATOM 1306 CB THR A 81 -0.652 -12.462 2.453 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.281 -13.535 1.775 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.310 -13.057 3.451 1.00 0.00 C ATOM 0 H THR A 81 -3.351 -11.831 1.841 1.00 0.00 H new ATOM 0 HA THR A 81 -1.555 -11.520 4.165 1.00 0.00 H new ATOM 0 HB THR A 81 -0.090 -11.832 1.764 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.350 -14.306 2.376 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.017 -13.705 2.933 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.853 -12.257 3.955 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.244 -13.640 4.187 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.237 -9.168 3.448 1.00 0.00 N ATOM 1317 CA LEU A 82 -1.035 -7.782 3.041 1.00 0.00 C ATOM 1318 C LEU A 82 0.393 -7.337 3.341 1.00 0.00 C ATOM 1319 O LEU A 82 0.789 -7.246 4.495 1.00 0.00 O ATOM 1320 CB LEU A 82 -2.026 -6.866 3.763 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.426 -6.813 3.148 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.481 -6.670 4.234 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.527 -5.667 2.153 1.00 0.00 C ATOM 0 H LEU A 82 -1.155 -9.334 4.451 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.205 -7.714 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.113 -7.195 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.616 -5.856 3.783 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.604 -7.748 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.470 -6.634 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.424 -7.523 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.306 -5.751 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.529 -5.644 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.328 -4.724 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.796 -5.811 1.357 1.00 0.00 H new ATOM 1335 N TRP A 83 1.164 -7.054 2.299 1.00 0.00 N ATOM 1336 CA TRP A 83 2.545 -6.621 2.481 1.00 0.00 C ATOM 1337 C TRP A 83 2.661 -5.109 2.355 1.00 0.00 C ATOM 1338 O TRP A 83 2.277 -4.533 1.340 1.00 0.00 O ATOM 1339 CB TRP A 83 3.456 -7.303 1.459 1.00 0.00 C ATOM 1340 CG TRP A 83 3.582 -8.779 1.674 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.621 -9.618 2.157 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.733 -9.589 1.418 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.103 -10.902 2.215 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.399 -10.911 1.768 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.016 -9.327 0.926 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.298 -11.966 1.640 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 6.908 -10.376 0.801 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.546 -11.680 1.156 1.00 0.00 C ATOM 0 H TRP A 83 0.861 -7.115 1.327 1.00 0.00 H new ATOM 0 HA TRP A 83 2.860 -6.908 3.484 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.068 -7.120 0.457 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.446 -6.850 1.505 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.626 -9.316 2.451 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.582 -11.717 2.538 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.304 -8.324 0.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.021 -12.974 1.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.901 -10.185 0.423 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.266 -12.477 1.046 1.00 0.00 H new ATOM 1359 N PHE A 84 3.203 -4.469 3.386 1.00 0.00 N ATOM 1360 CA PHE A 84 3.372 -3.022 3.371 1.00 0.00 C ATOM 1361 C PHE A 84 4.818 -2.654 3.025 1.00 0.00 C ATOM 1362 O PHE A 84 5.754 -3.086 3.697 1.00 0.00 O ATOM 1363 CB PHE A 84 2.964 -2.404 4.720 1.00 0.00 C ATOM 1364 CG PHE A 84 1.473 -2.251 4.903 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.584 -3.013 4.157 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.957 -1.345 5.824 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.781 -2.876 4.324 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.408 -1.207 5.991 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.277 -1.973 5.241 1.00 0.00 C ATOM 0 H PHE A 84 3.531 -4.927 4.237 1.00 0.00 H new ATOM 0 HA PHE A 84 2.717 -2.613 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.356 -3.025 5.525 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.433 -1.425 4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.964 -3.722 3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.631 -0.743 6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.460 -3.476 3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.795 -0.499 6.709 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.344 -1.866 5.372 1.00 0.00 H new ATOM 1379 N TRP A 85 4.993 -1.849 1.974 1.00 0.00 N ATOM 1380 CA TRP A 85 6.324 -1.419 1.541 1.00 0.00 C ATOM 1381 C TRP A 85 6.601 0.012 1.994 1.00 0.00 C ATOM 1382 O TRP A 85 5.864 0.930 1.634 1.00 0.00 O ATOM 1383 CB TRP A 85 6.443 -1.526 0.022 1.00 0.00 C ATOM 1384 CG TRP A 85 6.281 -2.929 -0.473 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.128 -3.518 -0.901 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.306 -3.923 -0.579 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.372 -4.818 -1.269 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.703 -5.091 -1.081 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.676 -3.938 -0.301 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.421 -6.262 -1.309 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.388 -5.101 -0.529 1.00 0.00 C ATOM 1392 CH2 TRP A 85 8.761 -6.248 -1.029 1.00 0.00 C ATOM 0 H TRP A 85 4.229 -1.482 1.407 1.00 0.00 H new ATOM 0 HA TRP A 85 7.065 -2.074 2.000 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.688 -0.892 -0.443 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.416 -1.145 -0.290 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.164 -3.033 -0.944 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.677 -5.474 -1.624 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.169 -3.058 0.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 6.939 -7.149 -1.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.447 -5.125 -0.318 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.346 -7.140 -1.197 1.00 0.00 H new ATOM 1403 N LEU A 86 7.640 0.207 2.813 1.00 0.00 N ATOM 1404 CA LEU A 86 7.932 1.548 3.313 1.00 0.00 C ATOM 1405 C LEU A 86 8.716 2.386 2.303 1.00 0.00 C ATOM 1406 O LEU A 86 9.936 2.293 2.197 1.00 0.00 O ATOM 1407 CB LEU A 86 8.729 1.454 4.614 1.00 0.00 C ATOM 1408 CG LEU A 86 8.778 2.741 5.439 1.00 0.00 C ATOM 1409 CD1 LEU A 86 7.396 3.094 5.964 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.767 2.599 6.588 1.00 0.00 C ATOM 0 H LEU A 86 8.274 -0.525 3.134 1.00 0.00 H new ATOM 0 HA LEU A 86 6.976 2.042 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.300 0.663 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.750 1.154 4.376 1.00 0.00 H new ATOM 0 HG LEU A 86 9.115 3.551 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.452 4.012 6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.714 3.238 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.029 2.285 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.790 3.524 7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.459 1.776 7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.761 2.396 6.189 1.00 0.00 H new ATOM 1422 N VAL A 87 7.977 3.205 1.572 1.00 0.00 N ATOM 1423 CA VAL A 87 8.529 4.083 0.542 1.00 0.00 C ATOM 1424 C VAL A 87 9.288 5.245 1.122 1.00 0.00 C ATOM 1425 O VAL A 87 8.943 5.756 2.187 1.00 0.00 O ATOM 1426 CB VAL A 87 7.430 4.636 -0.346 1.00 0.00 C ATOM 1427 CG1 VAL A 87 8.005 5.353 -1.558 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.506 3.504 -0.753 1.00 0.00 C ATOM 0 H VAL A 87 6.965 3.283 1.675 1.00 0.00 H new ATOM 0 HA VAL A 87 9.216 3.467 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 87 6.858 5.378 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.191 5.737 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.632 6.181 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.604 4.655 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.713 3.893 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.073 2.749 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.067 3.055 0.138 1.00 0.00 H new ATOM 1438 N GLU A 88 10.335 5.652 0.425 1.00 0.00 N ATOM 1439 CA GLU A 88 11.138 6.757 0.906 1.00 0.00 C ATOM 1440 C GLU A 88 11.045 8.018 0.038 1.00 0.00 C ATOM 1441 O GLU A 88 11.173 9.125 0.563 1.00 0.00 O ATOM 1442 CB GLU A 88 12.602 6.334 1.055 1.00 0.00 C ATOM 1443 CG GLU A 88 12.784 4.883 1.467 1.00 0.00 C ATOM 1444 CD GLU A 88 14.243 4.494 1.602 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.824 4.736 2.681 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.805 3.947 0.630 1.00 0.00 O ATOM 0 H GLU A 88 10.643 5.243 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 88 10.724 7.021 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.116 6.500 0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.082 6.975 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.277 4.712 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.306 4.237 0.730 1.00 0.00 H new ATOM 1453 N ARG A 89 10.849 7.885 -1.278 1.00 0.00 N ATOM 1454 CA ARG A 89 10.782 9.076 -2.127 1.00 0.00 C ATOM 1455 C ARG A 89 10.151 8.773 -3.483 1.00 0.00 C ATOM 1456 O ARG A 89 10.042 7.615 -3.879 1.00 0.00 O ATOM 1457 CB ARG A 89 12.199 9.672 -2.271 1.00 0.00 C ATOM 1458 CG ARG A 89 12.599 10.117 -3.678 1.00 0.00 C ATOM 1459 CD ARG A 89 12.415 11.617 -3.859 1.00 0.00 C ATOM 1460 NE ARG A 89 12.707 12.044 -5.225 1.00 0.00 N ATOM 1461 CZ ARG A 89 12.968 13.303 -5.567 1.00 0.00 C ATOM 1462 NH1 ARG A 89 12.974 14.261 -4.648 1.00 0.00 N ATOM 1463 NH2 ARG A 89 13.225 13.607 -6.832 1.00 0.00 N ATOM 0 H ARG A 89 10.737 6.996 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 89 10.134 9.813 -1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.280 10.530 -1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.920 8.931 -1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.640 9.852 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.998 9.584 -4.415 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.391 11.890 -3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.067 12.148 -3.166 1.00 0.00 H new ATOM 0 HE ARG A 89 12.711 11.336 -5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.778 14.034 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.175 15.224 -4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 89 13.223 12.876 -7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.425 14.572 -7.094 1.00 0.00 H new ATOM 1477 N TRP A 90 9.761 9.830 -4.200 1.00 0.00 N ATOM 1478 CA TRP A 90 9.167 9.674 -5.523 1.00 0.00 C ATOM 1479 C TRP A 90 9.431 10.892 -6.406 1.00 0.00 C ATOM 1480 O TRP A 90 9.189 12.029 -6.003 1.00 0.00 O ATOM 1481 CB TRP A 90 7.664 9.382 -5.416 1.00 0.00 C ATOM 1482 CG TRP A 90 6.790 10.588 -5.268 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.534 11.542 -6.210 1.00 0.00 C ATOM 1484 CD2 TRP A 90 6.030 10.947 -4.114 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.658 12.474 -5.709 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.333 12.129 -4.423 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.872 10.380 -2.848 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.486 12.753 -3.512 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.032 11.001 -1.946 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.346 12.174 -2.281 1.00 0.00 C ATOM 0 H TRP A 90 9.847 10.797 -3.886 1.00 0.00 H new ATOM 0 HA TRP A 90 9.645 8.819 -6.000 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.352 8.834 -6.305 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.498 8.725 -4.562 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.958 11.561 -7.203 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.307 13.289 -6.212 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.396 9.474 -2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.959 13.660 -3.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.902 10.574 -0.963 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.693 12.631 -1.553 1.00 0.00 H new ATOM 1501 N GLU A 91 9.939 10.640 -7.615 1.00 0.00 N ATOM 1502 CA GLU A 91 10.241 11.713 -8.556 1.00 0.00 C ATOM 1503 C GLU A 91 8.970 12.225 -9.227 1.00 0.00 C ATOM 1504 O GLU A 91 7.995 11.488 -9.378 1.00 0.00 O ATOM 1505 CB GLU A 91 11.227 11.223 -9.619 1.00 0.00 C ATOM 1506 CG GLU A 91 12.644 11.043 -9.098 1.00 0.00 C ATOM 1507 CD GLU A 91 13.369 9.892 -9.768 1.00 0.00 C ATOM 1508 OE1 GLU A 91 13.208 9.723 -10.996 1.00 0.00 O ATOM 1509 OE2 GLU A 91 14.096 9.159 -9.067 1.00 0.00 O ATOM 0 H GLU A 91 10.148 9.704 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 91 10.692 12.534 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.873 10.273 -10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.240 11.934 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.206 11.963 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.613 10.871 -8.022 1.00 0.00 H new ATOM 1516 N GLY A 92 8.989 13.493 -9.631 1.00 0.00 N ATOM 1517 CA GLY A 92 7.834 14.083 -10.283 1.00 0.00 C ATOM 1518 C GLY A 92 6.567 13.952 -9.460 1.00 0.00 C ATOM 1519 O GLY A 92 6.546 14.312 -8.282 1.00 0.00 O ATOM 0 H GLY A 92 9.784 14.122 -9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.030 15.138 -10.475 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.685 13.605 -11.251 1.00 0.00 H new ATOM 1523 N GLU A 93 5.511 13.436 -10.079 1.00 0.00 N ATOM 1524 CA GLU A 93 4.236 13.257 -9.395 1.00 0.00 C ATOM 1525 C GLU A 93 3.797 11.794 -9.437 1.00 0.00 C ATOM 1526 O GLU A 93 4.051 11.092 -10.416 1.00 0.00 O ATOM 1527 CB GLU A 93 3.164 14.145 -10.032 1.00 0.00 C ATOM 1528 CG GLU A 93 2.370 14.958 -9.023 1.00 0.00 C ATOM 1529 CD GLU A 93 1.717 16.179 -9.643 1.00 0.00 C ATOM 1530 OE1 GLU A 93 1.353 16.115 -10.836 1.00 0.00 O ATOM 1531 OE2 GLU A 93 1.571 17.198 -8.935 1.00 0.00 O ATOM 0 H GLU A 93 5.513 13.134 -11.053 1.00 0.00 H new ATOM 0 HA GLU A 93 4.365 13.548 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.640 14.824 -10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.478 13.519 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.602 14.327 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.031 15.274 -8.216 1.00 0.00 H new ATOM 1538 N PRO A 94 3.123 11.313 -8.377 1.00 0.00 N ATOM 1539 CA PRO A 94 2.640 9.935 -8.300 1.00 0.00 C ATOM 1540 C PRO A 94 1.396 9.733 -9.147 1.00 0.00 C ATOM 1541 O PRO A 94 0.430 10.486 -9.026 1.00 0.00 O ATOM 1542 CB PRO A 94 2.302 9.741 -6.810 1.00 0.00 C ATOM 1543 CG PRO A 94 2.732 10.998 -6.124 1.00 0.00 C ATOM 1544 CD PRO A 94 2.753 12.065 -7.178 1.00 0.00 C ATOM 0 HA PRO A 94 3.377 9.224 -8.672 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.235 9.566 -6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.823 8.875 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.043 11.258 -5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.717 10.878 -5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.782 12.549 -7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.476 12.848 -6.950 1.00 0.00 H new ATOM 1552 N TRP A 95 1.408 8.716 -10.000 1.00 0.00 N ATOM 1553 CA TRP A 95 0.251 8.451 -10.837 1.00 0.00 C ATOM 1554 C TRP A 95 -0.073 6.968 -10.910 1.00 0.00 C ATOM 1555 O TRP A 95 -1.157 6.541 -10.512 1.00 0.00 O ATOM 1556 CB TRP A 95 0.441 9.016 -12.250 1.00 0.00 C ATOM 1557 CG TRP A 95 1.718 8.617 -12.947 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.901 9.295 -12.930 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.932 7.468 -13.785 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.830 8.656 -13.720 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.259 7.535 -14.255 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.132 6.392 -14.187 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.797 6.575 -15.111 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.671 5.438 -15.031 1.00 0.00 C ATOM 1565 CH2 TRP A 95 2.990 5.538 -15.489 1.00 0.00 C ATOM 0 H TRP A 95 2.191 8.074 -10.128 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.593 8.958 -10.368 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.401 8.699 -12.865 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.403 10.104 -12.195 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.083 10.204 -12.376 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.788 8.968 -13.880 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.111 6.308 -13.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.815 6.648 -15.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.063 4.601 -15.342 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.378 4.781 -16.154 1.00 0.00 H new ATOM 1576 N GLY A 96 0.868 6.190 -11.428 1.00 0.00 N ATOM 1577 CA GLY A 96 0.665 4.755 -11.559 1.00 0.00 C ATOM 1578 C GLY A 96 -0.747 4.388 -11.984 1.00 0.00 C ATOM 1579 O GLY A 96 -1.089 4.464 -13.163 1.00 0.00 O ATOM 0 H GLY A 96 1.772 6.525 -11.762 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.372 4.359 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.888 4.274 -10.606 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.566 3.989 -11.011 1.00 0.00 N ATOM 1584 CA LYS A 97 -2.951 3.606 -11.275 1.00 0.00 C ATOM 1585 C LYS A 97 -3.605 3.022 -10.022 1.00 0.00 C ATOM 1586 O LYS A 97 -4.354 2.048 -10.097 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.020 2.589 -12.421 1.00 0.00 C ATOM 1588 CG LYS A 97 -3.956 3.004 -13.545 1.00 0.00 C ATOM 1589 CD LYS A 97 -5.303 2.306 -13.434 1.00 0.00 C ATOM 1590 CE LYS A 97 -6.342 3.200 -12.777 1.00 0.00 C ATOM 1591 NZ LYS A 97 -7.729 2.728 -13.044 1.00 0.00 N ATOM 0 H LYS A 97 -1.292 3.923 -10.031 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.496 4.504 -11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.019 2.443 -12.828 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.346 1.628 -12.024 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.101 4.084 -13.519 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.500 2.767 -14.506 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.647 2.016 -14.427 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.192 1.389 -12.855 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.169 3.228 -11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.228 4.220 -13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.408 3.364 -12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.903 2.725 -14.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.846 1.764 -12.670 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.317 3.624 -8.869 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.881 3.161 -7.603 1.00 0.00 C ATOM 1607 C GLU A 98 -5.405 3.184 -7.647 1.00 0.00 C ATOM 1608 O GLU A 98 -6.058 2.211 -7.272 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.372 4.026 -6.447 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.724 5.500 -6.585 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.177 6.341 -5.447 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.552 5.767 -4.530 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -3.376 7.573 -5.472 1.00 0.00 O ATOM 0 H GLU A 98 -2.698 4.431 -8.786 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.559 2.132 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.787 3.648 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.289 3.925 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.332 5.876 -7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.808 5.609 -6.623 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.972 4.293 -8.119 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.416 4.395 -8.209 1.00 0.00 C ATOM 1622 C GLY A 99 -7.949 5.784 -7.905 1.00 0.00 C ATOM 1623 O GLY A 99 -8.853 6.265 -8.589 1.00 0.00 O ATOM 0 H GLY A 99 -5.460 5.116 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.730 4.106 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.866 3.683 -7.517 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.413 6.426 -6.871 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.875 7.758 -6.487 1.00 0.00 C ATOM 1629 C GLN A 100 -6.722 8.685 -6.118 1.00 0.00 C ATOM 1630 O GLN A 100 -5.957 8.413 -5.195 1.00 0.00 O ATOM 1631 CB GLN A 100 -8.854 7.649 -5.316 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.311 7.772 -5.728 1.00 0.00 C ATOM 1633 CD GLN A 100 -10.825 6.528 -6.426 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -11.217 6.573 -7.592 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -10.828 5.407 -5.713 1.00 0.00 N ATOM 0 H GLN A 100 -6.665 6.051 -6.288 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.377 8.193 -7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.706 6.691 -4.817 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.624 8.427 -4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.920 7.967 -4.845 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.427 8.630 -6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.494 5.415 -4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.164 4.539 -6.129 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.602 9.809 -6.839 1.00 0.00 N ATOM 1645 CA PRO A 101 -5.558 10.810 -6.597 1.00 0.00 C ATOM 1646 C PRO A 101 -5.443 11.191 -5.119 1.00 0.00 C ATOM 1647 O PRO A 101 -6.441 11.218 -4.398 1.00 0.00 O ATOM 1648 CB PRO A 101 -6.055 12.002 -7.410 1.00 0.00 C ATOM 1649 CG PRO A 101 -6.789 11.389 -8.544 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.490 10.204 -7.956 1.00 0.00 C ATOM 0 HA PRO A 101 -4.566 10.452 -6.873 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.704 12.646 -6.817 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.227 12.619 -7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.499 12.091 -8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.107 11.089 -9.340 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.490 10.460 -7.605 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.604 9.401 -8.684 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.223 11.483 -4.675 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.009 11.858 -3.287 1.00 0.00 C ATOM 1660 C GLY A 102 -3.110 13.074 -3.133 1.00 0.00 C ATOM 1661 O GLY A 102 -2.597 13.605 -4.119 1.00 0.00 O ATOM 0 H GLY A 102 -3.381 11.467 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.972 12.063 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.568 11.017 -2.753 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.914 13.510 -1.889 1.00 0.00 N ATOM 1666 CA GLU A 103 -2.066 14.665 -1.598 1.00 0.00 C ATOM 1667 C GLU A 103 -1.016 14.300 -0.553 1.00 0.00 C ATOM 1668 O GLU A 103 -1.248 13.433 0.287 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.914 15.838 -1.102 1.00 0.00 C ATOM 1670 CG GLU A 103 -3.897 15.459 -0.006 1.00 0.00 C ATOM 1671 CD GLU A 103 -3.846 16.405 1.177 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -4.536 17.445 1.136 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -3.117 16.106 2.146 1.00 0.00 O ATOM 0 H GLU A 103 -3.332 13.079 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.560 14.963 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.253 16.621 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.465 16.258 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.907 15.451 -0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.683 14.446 0.334 1.00 0.00 H new ATOM 1680 N TRP A 104 0.142 14.958 -0.608 1.00 0.00 N ATOM 1681 CA TRP A 104 1.218 14.673 0.342 1.00 0.00 C ATOM 1682 C TRP A 104 0.775 14.997 1.769 1.00 0.00 C ATOM 1683 O TRP A 104 0.688 16.163 2.150 1.00 0.00 O ATOM 1684 CB TRP A 104 2.485 15.482 -0.009 1.00 0.00 C ATOM 1685 CG TRP A 104 2.652 15.746 -1.477 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.265 14.937 -2.507 1.00 0.00 C ATOM 1687 CD2 TRP A 104 3.249 16.901 -2.077 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.584 15.520 -3.709 1.00 0.00 N ATOM 1689 CE2 TRP A 104 3.190 16.726 -3.472 1.00 0.00 C ATOM 1690 CE3 TRP A 104 3.829 18.068 -1.569 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 3.688 17.672 -4.364 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 4.323 19.007 -2.456 1.00 0.00 C ATOM 1693 CH2 TRP A 104 4.249 18.804 -3.839 1.00 0.00 C ATOM 0 H TRP A 104 0.358 15.684 -1.291 1.00 0.00 H new ATOM 0 HA TRP A 104 1.451 13.610 0.277 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.454 16.435 0.520 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.360 14.944 0.355 1.00 0.00 H new ATOM 0 HD1 TRP A 104 1.779 13.979 -2.393 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.400 15.120 -4.629 1.00 0.00 H new ATOM 0 HE3 TRP A 104 3.890 18.233 -0.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 3.633 17.518 -5.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 4.773 19.912 -2.075 1.00 0.00 H new ATOM 0 HH2 TRP A 104 4.643 19.557 -4.506 1.00 0.00 H new ATOM 1704 N MET A 105 0.503 13.955 2.556 1.00 0.00 N ATOM 1705 CA MET A 105 0.083 14.134 3.945 1.00 0.00 C ATOM 1706 C MET A 105 1.033 13.433 4.911 1.00 0.00 C ATOM 1707 O MET A 105 1.567 12.368 4.608 1.00 0.00 O ATOM 1708 CB MET A 105 -1.356 13.647 4.148 1.00 0.00 C ATOM 1709 CG MET A 105 -1.492 12.137 4.223 1.00 0.00 C ATOM 1710 SD MET A 105 -1.524 11.524 5.917 1.00 0.00 S ATOM 1711 CE MET A 105 -3.280 11.248 6.144 1.00 0.00 C ATOM 0 H MET A 105 0.566 12.982 2.256 1.00 0.00 H new ATOM 0 HA MET A 105 0.117 15.201 4.164 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.750 14.083 5.066 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.973 14.017 3.329 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.407 11.833 3.714 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.662 11.675 3.689 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.567 11.544 7.153 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.838 11.840 5.419 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.504 10.191 5.998 1.00 0.00 H new ATOM 1721 N SER A 106 1.237 14.038 6.078 1.00 0.00 N ATOM 1722 CA SER A 106 2.122 13.471 7.091 1.00 0.00 C ATOM 1723 C SER A 106 1.541 12.179 7.658 1.00 0.00 C ATOM 1724 O SER A 106 0.373 12.128 8.042 1.00 0.00 O ATOM 1725 CB SER A 106 2.352 14.479 8.218 1.00 0.00 C ATOM 1726 OG SER A 106 3.592 14.248 8.864 1.00 0.00 O ATOM 0 H SER A 106 0.801 14.921 6.346 1.00 0.00 H new ATOM 0 HA SER A 106 3.077 13.242 6.618 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.332 15.491 7.814 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.542 14.409 8.944 1.00 0.00 H new ATOM 0 HG SER A 106 3.716 14.906 9.579 1.00 0.00 H new ATOM 1732 N LEU A 107 2.363 11.135 7.704 1.00 0.00 N ATOM 1733 CA LEU A 107 1.922 9.839 8.221 1.00 0.00 C ATOM 1734 C LEU A 107 1.805 9.845 9.744 1.00 0.00 C ATOM 1735 O LEU A 107 1.154 8.977 10.326 1.00 0.00 O ATOM 1736 CB LEU A 107 2.873 8.727 7.782 1.00 0.00 C ATOM 1737 CG LEU A 107 2.282 7.317 7.847 1.00 0.00 C ATOM 1738 CD1 LEU A 107 0.973 7.248 7.072 1.00 0.00 C ATOM 1739 CD2 LEU A 107 3.277 6.302 7.312 1.00 0.00 C ATOM 0 H LEU A 107 3.334 11.158 7.392 1.00 0.00 H new ATOM 0 HA LEU A 107 0.932 9.650 7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.194 8.925 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.764 8.762 8.408 1.00 0.00 H new ATOM 0 HG LEU A 107 2.072 7.077 8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.569 6.237 7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.258 7.950 7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.154 7.507 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.842 5.304 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.517 6.539 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.187 6.334 7.911 1.00 0.00 H new ATOM 1751 N VAL A 108 2.442 10.819 10.388 1.00 0.00 N ATOM 1752 CA VAL A 108 2.415 10.931 11.845 1.00 0.00 C ATOM 1753 C VAL A 108 0.989 10.894 12.400 1.00 0.00 C ATOM 1754 O VAL A 108 0.791 10.715 13.602 1.00 0.00 O ATOM 1755 CB VAL A 108 3.098 12.228 12.318 1.00 0.00 C ATOM 1756 CG1 VAL A 108 3.250 12.233 13.831 1.00 0.00 C ATOM 1757 CG2 VAL A 108 4.449 12.399 11.639 1.00 0.00 C ATOM 0 H VAL A 108 2.986 11.545 9.922 1.00 0.00 H new ATOM 0 HA VAL A 108 2.962 10.068 12.226 1.00 0.00 H new ATOM 0 HB VAL A 108 2.466 13.071 12.038 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.735 13.158 14.145 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.267 12.163 14.296 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.858 11.382 14.138 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.916 13.321 11.986 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.090 11.552 11.885 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.310 12.447 10.559 1.00 0.00 H new ATOM 1767 N GLY A 109 0.001 11.059 11.527 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.383 11.036 11.959 1.00 0.00 C ATOM 1769 C GLY A 109 -2.227 10.102 11.118 1.00 0.00 C ATOM 1770 O GLY A 109 -3.286 10.481 10.619 1.00 0.00 O ATOM 0 H GLY A 109 0.135 11.208 10.527 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.431 10.726 13.003 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.796 12.043 11.906 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.748 8.876 10.967 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.448 7.860 10.186 1.00 0.00 C ATOM 1776 C LEU A 110 -3.816 7.569 10.803 1.00 0.00 C ATOM 1777 O LEU A 110 -3.931 7.350 12.010 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.585 6.592 10.116 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.330 5.254 10.036 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -2.807 4.824 11.417 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.494 5.325 9.059 1.00 0.00 C ATOM 0 H LEU A 110 -0.871 8.557 11.378 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.614 8.224 9.172 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.934 6.671 9.245 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.941 6.570 10.995 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.632 4.504 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.333 3.873 11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.949 4.711 12.080 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.481 5.580 11.821 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.001 4.360 9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.196 6.093 9.385 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.120 5.573 8.065 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.856 7.592 9.968 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.217 7.353 10.435 1.00 0.00 C ATOM 1795 C ASN A 111 -6.850 6.139 9.764 1.00 0.00 C ATOM 1796 O ASN A 111 -7.197 6.176 8.584 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.079 8.593 10.190 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.585 9.210 11.479 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -7.861 8.508 12.451 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -7.710 10.533 11.492 1.00 0.00 N ATOM 0 H ASN A 111 -4.779 7.774 8.967 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.164 7.146 11.504 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.498 9.333 9.640 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -7.928 8.323 9.562 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.046 11.005 12.331 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.469 11.076 10.663 1.00 0.00 H new ATOM 1807 N ALA A 112 -7.015 5.073 10.540 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.628 3.851 10.043 1.00 0.00 C ATOM 1809 C ALA A 112 -9.134 4.035 9.850 1.00 0.00 C ATOM 1810 O ALA A 112 -9.791 3.233 9.189 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.354 2.691 10.988 1.00 0.00 C ATOM 0 H ALA A 112 -6.731 5.033 11.519 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.184 3.622 9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.821 1.786 10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.278 2.537 11.072 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.766 2.918 11.971 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.682 5.094 10.443 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.110 5.373 10.335 1.00 0.00 C ATOM 1819 C ASP A 113 -11.453 5.883 8.939 1.00 0.00 C ATOM 1820 O ASP A 113 -12.545 5.637 8.428 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.567 6.393 11.392 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.426 7.008 12.184 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.630 6.244 12.769 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.329 8.254 12.216 1.00 0.00 O ATOM 0 H ASP A 113 -9.160 5.770 11.001 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.640 4.438 10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.125 7.189 10.898 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.254 5.904 12.083 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.509 6.591 8.327 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.711 7.133 6.988 1.00 0.00 C ATOM 1831 C ASP A 114 -10.202 6.168 5.917 1.00 0.00 C ATOM 1832 O ASP A 114 -10.477 6.349 4.731 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.009 8.483 6.850 1.00 0.00 C ATOM 1834 CG ASP A 114 -10.984 9.622 6.624 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.613 9.659 5.546 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -11.116 10.477 7.525 1.00 0.00 O ATOM 0 H ASP A 114 -9.599 6.802 8.736 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.782 7.270 6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.427 8.680 7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.306 8.440 6.018 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.459 5.146 6.336 1.00 0.00 N ATOM 1842 CA PHE A 115 -8.918 4.169 5.400 1.00 0.00 C ATOM 1843 C PHE A 115 -9.723 2.869 5.441 1.00 0.00 C ATOM 1844 O PHE A 115 -10.477 2.626 6.383 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.418 3.947 5.681 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.040 2.653 6.349 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.799 2.124 7.376 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.896 1.980 5.953 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.428 0.948 7.995 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.518 0.809 6.569 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.284 0.291 7.591 1.00 0.00 C ATOM 0 H PHE A 115 -9.220 4.975 7.313 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.008 4.555 4.384 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -6.881 4.011 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.063 4.768 6.304 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.693 2.637 7.698 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.293 2.379 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.032 0.543 8.794 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.622 0.296 6.252 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.989 -0.628 8.075 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.587 2.020 4.408 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.317 0.750 4.324 1.00 0.00 C ATOM 1863 C PRO A 116 -10.027 -0.174 5.506 1.00 0.00 C ATOM 1864 O PRO A 116 -8.876 -0.342 5.906 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.813 0.123 3.018 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.545 0.839 2.706 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.722 2.232 3.237 1.00 0.00 C ATOM 0 HA PRO A 116 -11.395 0.907 4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.643 -0.947 3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.541 0.244 2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.693 0.347 3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.356 0.851 1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.770 2.685 3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.187 2.890 2.503 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.076 -0.795 6.079 1.00 0.00 N ATOM 1876 CA PRO A 117 -10.928 -1.712 7.215 1.00 0.00 C ATOM 1877 C PRO A 117 -10.229 -3.011 6.827 1.00 0.00 C ATOM 1878 O PRO A 117 -9.788 -3.771 7.690 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.371 -1.989 7.642 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.179 -1.761 6.413 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.485 -0.660 5.661 1.00 0.00 C ATOM 0 HA PRO A 117 -10.311 -1.283 8.004 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.487 -3.009 8.008 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.680 -1.324 8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.238 -2.668 5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.201 -1.478 6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.597 -0.777 4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.889 0.319 5.919 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.135 -3.267 5.524 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.494 -4.478 5.029 1.00 0.00 C ATOM 1891 C ALA A 118 -8.024 -4.521 5.419 1.00 0.00 C ATOM 1892 O ALA A 118 -7.426 -5.594 5.506 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.646 -4.578 3.520 1.00 0.00 C ATOM 0 H ALA A 118 -10.495 -2.651 4.795 1.00 0.00 H new ATOM 0 HA ALA A 118 -9.989 -5.333 5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.162 -5.488 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.705 -4.606 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.180 -3.712 3.049 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.445 -3.353 5.650 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.045 -3.252 6.028 1.00 0.00 C ATOM 1901 C ASN A 119 -5.897 -2.826 7.489 1.00 0.00 C ATOM 1902 O ASN A 119 -4.786 -2.600 7.970 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.350 -2.249 5.112 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.287 -2.894 4.245 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.586 -3.808 4.677 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -4.162 -2.417 3.011 1.00 0.00 N ATOM 0 H ASN A 119 -7.927 -2.457 5.582 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.580 -4.232 5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.092 -1.769 4.474 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.894 -1.465 5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.463 -2.810 2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -4.765 -1.658 2.694 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.026 -2.703 8.188 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.033 -2.291 9.587 1.00 0.00 C ATOM 1915 C GLU A 120 -6.188 -3.206 10.480 1.00 0.00 C ATOM 1916 O GLU A 120 -5.589 -2.738 11.440 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.481 -2.212 10.099 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.851 -3.266 11.134 1.00 0.00 C ATOM 1919 CD GLU A 120 -10.274 -3.117 11.636 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -11.163 -2.810 10.815 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -10.500 -3.307 12.849 1.00 0.00 O ATOM 0 H GLU A 120 -7.952 -2.885 7.802 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.574 -1.304 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.645 -1.225 10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.157 -2.304 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.725 -4.257 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.163 -3.199 11.977 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.134 -4.521 10.210 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.363 -5.454 11.040 1.00 0.00 C ATOM 1930 C PRO A 121 -3.968 -4.961 11.410 1.00 0.00 C ATOM 1931 O PRO A 121 -3.592 -4.978 12.583 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.241 -6.673 10.140 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.502 -6.671 9.352 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.829 -5.222 9.107 1.00 0.00 C ATOM 0 HA PRO A 121 -5.855 -5.619 11.999 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.367 -6.605 9.493 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.136 -7.589 10.722 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.377 -7.208 8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.305 -7.166 9.898 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.473 -4.889 8.132 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.904 -5.043 9.132 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.202 -4.523 10.419 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.850 -4.034 10.671 1.00 0.00 C ATOM 1944 C VAL A 122 -1.877 -2.606 11.196 1.00 0.00 C ATOM 1945 O VAL A 122 -1.313 -2.305 12.247 1.00 0.00 O ATOM 1946 CB VAL A 122 -0.964 -4.087 9.399 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.265 -4.951 9.639 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.738 -4.584 8.183 1.00 0.00 C ATOM 0 H VAL A 122 -3.489 -4.496 9.441 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.417 -4.694 11.423 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.643 -3.068 9.185 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.874 -4.976 8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.849 -4.533 10.459 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.047 -5.964 9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.078 -4.605 7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.114 -5.588 8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.575 -3.914 7.986 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.538 -1.728 10.446 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.650 -0.325 10.813 1.00 0.00 C ATOM 1960 C ILE A 123 -3.285 -0.166 12.186 1.00 0.00 C ATOM 1961 O ILE A 123 -3.013 0.788 12.893 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.459 0.466 9.762 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.668 0.551 8.450 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.799 1.857 10.278 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -2.041 1.909 8.199 1.00 0.00 C ATOM 0 H ILE A 123 -3.007 -1.970 9.573 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.639 0.082 10.848 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.396 -0.059 9.573 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.883 -0.205 8.461 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.332 0.309 7.620 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.369 2.396 9.521 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.393 1.772 11.188 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.879 2.400 10.495 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.499 1.890 7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.822 2.668 8.155 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.350 2.146 9.008 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.111 -1.126 12.561 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.756 -1.094 13.867 1.00 0.00 C ATOM 1979 C ALA A 124 -3.691 -0.965 14.949 1.00 0.00 C ATOM 1980 O ALA A 124 -3.799 -0.147 15.862 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.593 -2.346 14.088 1.00 0.00 C ATOM 0 H ALA A 124 -4.352 -1.934 11.986 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.425 -0.235 13.913 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.065 -2.300 15.070 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.362 -2.410 13.318 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.952 -3.226 14.035 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.678 -1.817 14.843 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.595 -1.850 15.819 1.00 0.00 C ATOM 1989 C LYS A 125 -0.962 -0.472 15.988 1.00 0.00 C ATOM 1990 O LYS A 125 -0.829 0.022 17.108 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.532 -2.866 15.396 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.602 -4.176 16.166 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.907 -5.350 15.250 1.00 0.00 C ATOM 1994 CE LYS A 125 0.365 -6.026 14.768 1.00 0.00 C ATOM 1995 NZ LYS A 125 1.274 -6.371 15.897 1.00 0.00 N ATOM 0 H LYS A 125 -2.584 -2.497 14.088 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.017 -2.151 16.778 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.643 -3.073 14.332 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.455 -2.425 15.534 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.345 -4.349 16.677 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.371 -4.105 16.936 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.527 -6.074 15.779 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.483 -5.003 14.392 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.109 -6.932 14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.885 -5.367 14.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.827 -7.217 15.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.920 -5.576 16.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.711 -6.561 16.751 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.565 0.142 14.882 1.00 0.00 N ATOM 2010 CA LEU A 126 0.065 1.465 14.925 1.00 0.00 C ATOM 2011 C LEU A 126 -0.974 2.569 15.113 1.00 0.00 C ATOM 2012 O LEU A 126 -0.789 3.481 15.913 1.00 0.00 O ATOM 2013 CB LEU A 126 0.861 1.714 13.642 1.00 0.00 C ATOM 2014 CG LEU A 126 1.742 2.965 13.659 1.00 0.00 C ATOM 2015 CD1 LEU A 126 2.664 2.951 14.869 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.547 3.064 12.374 1.00 0.00 C ATOM 0 H LEU A 126 -0.665 -0.248 13.945 1.00 0.00 H new ATOM 0 HA LEU A 126 0.742 1.485 15.779 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.492 0.846 13.450 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.163 1.791 12.809 1.00 0.00 H new ATOM 0 HG LEU A 126 1.098 3.841 13.730 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.283 3.848 14.865 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.067 2.926 15.781 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.303 2.069 14.829 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.168 3.959 12.402 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.183 2.184 12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.868 3.120 11.523 1.00 0.00 H new ATOM 2028 N LYS A 127 -2.045 2.486 14.337 1.00 0.00 N ATOM 2029 CA LYS A 127 -3.118 3.477 14.369 1.00 0.00 C ATOM 2030 C LYS A 127 -3.581 3.726 15.790 1.00 0.00 C ATOM 2031 O LYS A 127 -3.844 4.863 16.179 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.298 2.992 13.542 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.523 3.889 13.634 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.790 3.083 13.870 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.014 2.817 15.350 1.00 0.00 C ATOM 2036 NZ LYS A 127 -8.446 2.553 15.658 1.00 0.00 N ATOM 0 H LYS A 127 -2.197 1.732 13.667 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.730 4.407 13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.992 2.917 12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.569 1.988 13.868 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.390 4.605 14.445 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.623 4.465 12.714 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.646 3.621 13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.725 2.136 13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -6.413 1.962 15.660 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -6.671 3.675 15.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.555 2.377 16.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.017 3.378 15.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -8.768 1.719 15.126 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.659 2.659 16.568 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.067 2.776 17.956 1.00 0.00 C ATOM 2052 C ARG A 128 -3.045 3.618 18.719 1.00 0.00 C ATOM 2053 O ARG A 128 -3.281 4.022 19.857 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.200 1.387 18.586 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.329 1.401 20.103 1.00 0.00 C ATOM 2056 CD ARG A 128 -4.376 -0.007 20.671 1.00 0.00 C ATOM 2057 NE ARG A 128 -3.040 -0.575 20.839 1.00 0.00 N ATOM 2058 CZ ARG A 128 -2.769 -1.612 21.628 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -3.736 -2.199 22.322 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -1.526 -2.064 21.723 1.00 0.00 N ATOM 0 H ARG A 128 -3.447 1.709 16.264 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.038 3.268 18.007 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.073 0.890 18.163 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.330 0.791 18.312 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.487 1.941 20.536 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.233 1.939 20.387 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.887 0.007 21.633 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -4.961 -0.646 20.009 1.00 0.00 H new ATOM 0 HE ARG A 128 -2.270 -0.152 20.321 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -4.694 -1.856 22.253 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -3.521 -2.993 22.925 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -0.779 -1.617 21.192 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -1.317 -2.859 22.327 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.910 3.886 18.066 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.843 4.688 18.659 1.00 0.00 C ATOM 2076 C LEU A 129 -0.580 4.284 20.107 1.00 0.00 C ATOM 2077 O LEU A 129 -1.089 4.907 21.039 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.195 6.178 18.586 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.807 6.642 17.257 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -3.218 7.168 17.473 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.937 7.709 16.602 1.00 0.00 C ATOM 0 H LEU A 129 -1.709 3.556 17.122 1.00 0.00 H new ATOM 0 HA LEU A 129 0.067 4.505 18.087 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.894 6.409 19.390 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.291 6.758 18.773 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.855 5.782 16.588 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.635 7.492 16.520 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.841 6.378 17.892 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.190 8.012 18.163 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.391 8.022 15.662 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.852 8.568 17.268 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.055 7.301 16.408 1.00 0.00 H new