USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 664 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 GLN : amide:sc= -0.0596 X(o=-0.038,f=-0.02) USER MOD Set 1.2: A 46 THR OG1 : rot -130:sc= 0.0217 USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -3.47! C(o=-3.5!,f=-12!) USER MOD Single : A 15 CYS SG : rot 110:sc= -2.1 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.3) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 35 THR OG1 : rot 24:sc= 0.142 USER MOD Single : A 36 ASN : amide:sc= 0.201 K(o=0.2,f=-4.3!) USER MOD Single : A 38 ASN : amide:sc= -0.564 K(o=-0.56,f=-1.5!) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= -0.745 (180deg=-0.94) USER MOD Single : A 47 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.1!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= 0.174 (180deg=-0.0596) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.038 K(o=-0.038,f=-1.5!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 73 ASN : amide:sc= -0.449 K(o=-0.45,f=-2.9!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot -169:sc= 0.766 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.608 13.760 -4.298 1.00 0.00 N ATOM 78 CA HIS A 6 -4.968 12.522 -3.604 1.00 0.00 C ATOM 79 C HIS A 6 -3.938 11.426 -3.883 1.00 0.00 C ATOM 80 O HIS A 6 -3.000 11.626 -4.656 1.00 0.00 O ATOM 81 CB HIS A 6 -6.367 12.050 -4.022 1.00 0.00 C ATOM 82 CG HIS A 6 -7.454 13.037 -3.725 1.00 0.00 C ATOM 83 ND1 HIS A 6 -8.069 13.795 -4.700 1.00 0.00 N ATOM 84 CD2 HIS A 6 -8.041 13.383 -2.556 1.00 0.00 C ATOM 85 CE1 HIS A 6 -8.988 14.564 -4.142 1.00 0.00 C ATOM 86 NE2 HIS A 6 -8.990 14.332 -2.842 1.00 0.00 N ATOM 0 HA HIS A 6 -4.977 12.728 -2.534 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.364 11.838 -5.091 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.591 11.113 -3.512 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.806 12.986 -1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.628 15.263 -4.661 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.599 14.785 -2.160 1.00 0.00 H new ATOM 95 N ILE A 7 -4.112 10.265 -3.252 1.00 0.00 N ATOM 96 CA ILE A 7 -3.187 9.155 -3.448 1.00 0.00 C ATOM 97 C ILE A 7 -3.868 7.990 -4.160 1.00 0.00 C ATOM 98 O ILE A 7 -4.991 7.614 -3.826 1.00 0.00 O ATOM 99 CB ILE A 7 -2.587 8.668 -2.111 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.618 9.711 -1.546 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.866 7.336 -2.297 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.277 11.004 -1.108 1.00 0.00 C ATOM 0 H ILE A 7 -4.878 10.072 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.376 9.527 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.405 8.527 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.093 9.278 -0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.866 9.938 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.451 7.011 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.571 6.588 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.060 7.456 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.519 11.686 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.778 11.464 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.008 10.794 -0.327 1.00 0.00 H new ATOM 114 N THR A 8 -3.173 7.433 -5.144 1.00 0.00 N ATOM 115 CA THR A 8 -3.685 6.313 -5.928 1.00 0.00 C ATOM 116 C THR A 8 -3.322 4.976 -5.276 1.00 0.00 C ATOM 117 O THR A 8 -2.220 4.462 -5.470 1.00 0.00 O ATOM 118 CB THR A 8 -3.121 6.380 -7.351 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.445 7.617 -7.962 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.624 5.277 -8.255 1.00 0.00 C ATOM 0 H THR A 8 -2.242 7.743 -5.421 1.00 0.00 H new ATOM 0 HA THR A 8 -4.772 6.384 -5.967 1.00 0.00 H new ATOM 0 HB THR A 8 -2.043 6.264 -7.235 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.075 7.641 -8.869 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.183 5.389 -9.245 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.343 4.309 -7.839 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.710 5.337 -8.333 1.00 0.00 H new ATOM 128 N VAL A 9 -4.257 4.419 -4.505 1.00 0.00 N ATOM 129 CA VAL A 9 -4.036 3.144 -3.824 1.00 0.00 C ATOM 130 C VAL A 9 -5.024 2.079 -4.308 1.00 0.00 C ATOM 131 O VAL A 9 -6.228 2.189 -4.080 1.00 0.00 O ATOM 132 CB VAL A 9 -4.142 3.301 -2.288 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.533 3.764 -1.874 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.769 2.003 -1.581 1.00 0.00 C ATOM 0 H VAL A 9 -5.175 4.831 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.025 2.819 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.432 4.070 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.575 3.865 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.749 4.727 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.272 3.032 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.851 2.139 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.444 1.209 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.744 1.732 -1.835 1.00 0.00 H new ATOM 144 N GLN A 10 -4.508 1.052 -4.984 1.00 0.00 N ATOM 145 CA GLN A 10 -5.356 -0.021 -5.503 1.00 0.00 C ATOM 146 C GLN A 10 -4.737 -1.400 -5.271 1.00 0.00 C ATOM 147 O GLN A 10 -3.559 -1.516 -4.928 1.00 0.00 O ATOM 148 CB GLN A 10 -5.615 0.186 -6.997 1.00 0.00 C ATOM 149 CG GLN A 10 -4.361 0.434 -7.815 1.00 0.00 C ATOM 150 CD GLN A 10 -4.190 1.892 -8.194 1.00 0.00 C ATOM 151 OE1 GLN A 10 -4.613 2.786 -7.464 1.00 0.00 O ATOM 152 NE2 GLN A 10 -3.568 2.135 -9.344 1.00 0.00 N ATOM 0 H GLN A 10 -3.514 0.941 -5.184 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.300 0.017 -4.959 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.125 -0.693 -7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.292 1.031 -7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.491 0.106 -7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.397 -0.171 -8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.234 1.360 -9.917 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.425 3.096 -9.653 1.00 0.00 H new ATOM 161 N PHE A 11 -5.549 -2.444 -5.460 1.00 0.00 N ATOM 162 CA PHE A 11 -5.097 -3.821 -5.276 1.00 0.00 C ATOM 163 C PHE A 11 -5.388 -4.669 -6.513 1.00 0.00 C ATOM 164 O PHE A 11 -6.353 -4.419 -7.240 1.00 0.00 O ATOM 165 CB PHE A 11 -5.767 -4.444 -4.047 1.00 0.00 C ATOM 166 CG PHE A 11 -5.484 -3.697 -2.774 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.201 -3.653 -2.254 1.00 0.00 C ATOM 168 CD2 PHE A 11 -6.498 -3.036 -2.102 1.00 0.00 C ATOM 169 CE1 PHE A 11 -3.933 -2.964 -1.089 1.00 0.00 C ATOM 170 CE2 PHE A 11 -6.238 -2.343 -0.936 1.00 0.00 C ATOM 171 CZ PHE A 11 -4.952 -2.308 -0.428 1.00 0.00 C ATOM 0 H PHE A 11 -6.526 -2.358 -5.741 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.018 -3.799 -5.122 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.845 -4.479 -4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.427 -5.474 -3.939 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.400 -4.165 -2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.504 -3.063 -2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.928 -2.938 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.037 -1.830 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.745 -1.768 0.484 1.00 0.00 H new ATOM 181 N ALA A 12 -4.545 -5.673 -6.742 1.00 0.00 N ATOM 182 CA ALA A 12 -4.697 -6.567 -7.889 1.00 0.00 C ATOM 183 C ALA A 12 -4.242 -7.987 -7.558 1.00 0.00 C ATOM 184 O ALA A 12 -3.461 -8.199 -6.627 1.00 0.00 O ATOM 185 CB ALA A 12 -3.914 -6.034 -9.082 1.00 0.00 C ATOM 0 H ALA A 12 -3.746 -5.889 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.757 -6.604 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.036 -6.710 -9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.287 -5.045 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.858 -5.965 -8.822 1.00 0.00 H new ATOM 191 N GLY A 13 -4.736 -8.957 -8.332 1.00 0.00 N ATOM 192 CA GLY A 13 -4.376 -10.349 -8.117 1.00 0.00 C ATOM 193 C GLY A 13 -4.932 -10.897 -6.817 1.00 0.00 C ATOM 194 O GLY A 13 -6.111 -11.244 -6.738 1.00 0.00 O ATOM 0 H GLY A 13 -5.381 -8.800 -9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.745 -10.949 -8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.290 -10.444 -8.113 1.00 0.00 H new ATOM 198 N GLY A 14 -4.082 -10.964 -5.794 1.00 0.00 N ATOM 199 CA GLY A 14 -4.508 -11.464 -4.498 1.00 0.00 C ATOM 200 C GLY A 14 -4.253 -10.469 -3.375 1.00 0.00 C ATOM 201 O GLY A 14 -3.959 -10.867 -2.246 1.00 0.00 O ATOM 0 H GLY A 14 -3.103 -10.680 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.572 -11.700 -4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.983 -12.394 -4.281 1.00 0.00 H new ATOM 205 N CYS A 15 -4.357 -9.172 -3.684 1.00 0.00 N ATOM 206 CA CYS A 15 -4.129 -8.119 -2.690 1.00 0.00 C ATOM 207 C CYS A 15 -5.427 -7.402 -2.309 1.00 0.00 C ATOM 208 O CYS A 15 -5.482 -6.708 -1.295 1.00 0.00 O ATOM 209 CB CYS A 15 -3.109 -7.108 -3.220 1.00 0.00 C ATOM 210 SG CYS A 15 -1.391 -7.506 -2.812 1.00 0.00 S ATOM 0 H CYS A 15 -4.597 -8.827 -4.613 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.738 -8.595 -1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.208 -7.043 -4.304 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.348 -6.123 -2.818 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.760 -7.863 -3.891 1.00 0.00 H new ATOM 216 N GLU A 16 -6.467 -7.570 -3.124 1.00 0.00 N ATOM 217 CA GLU A 16 -7.761 -6.941 -2.869 1.00 0.00 C ATOM 218 C GLU A 16 -8.577 -7.748 -1.858 1.00 0.00 C ATOM 219 O GLU A 16 -9.337 -7.184 -1.070 1.00 0.00 O ATOM 220 CB GLU A 16 -8.539 -6.781 -4.180 1.00 0.00 C ATOM 221 CG GLU A 16 -8.933 -8.098 -4.840 1.00 0.00 C ATOM 222 CD GLU A 16 -7.985 -8.513 -5.954 1.00 0.00 C ATOM 223 OE1 GLU A 16 -6.756 -8.351 -5.787 1.00 0.00 O ATOM 224 OE2 GLU A 16 -8.471 -9.006 -6.993 1.00 0.00 O ATOM 0 H GLU A 16 -6.438 -8.139 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.581 -5.954 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.441 -6.201 -3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.934 -6.204 -4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.961 -8.882 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.941 -8.008 -5.244 1.00 0.00 H new ATOM 231 N LEU A 17 -8.420 -9.072 -1.892 1.00 0.00 N ATOM 232 CA LEU A 17 -9.146 -9.961 -0.986 1.00 0.00 C ATOM 233 C LEU A 17 -8.817 -9.677 0.485 1.00 0.00 C ATOM 234 O LEU A 17 -9.645 -9.920 1.365 1.00 0.00 O ATOM 235 CB LEU A 17 -8.835 -11.425 -1.318 1.00 0.00 C ATOM 236 CG LEU A 17 -9.236 -11.867 -2.731 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.005 -12.214 -3.557 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.197 -13.049 -2.672 1.00 0.00 C ATOM 0 H LEU A 17 -7.795 -9.553 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.210 -9.773 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.765 -11.592 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.345 -12.062 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.747 -11.036 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.313 -12.525 -4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.359 -11.339 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.461 -13.027 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.469 -13.347 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.715 -13.885 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.095 -12.761 -2.125 1.00 0.00 H new ATOM 250 N LEU A 18 -7.610 -9.167 0.752 1.00 0.00 N ATOM 251 CA LEU A 18 -7.190 -8.860 2.125 1.00 0.00 C ATOM 252 C LEU A 18 -7.697 -7.492 2.606 1.00 0.00 C ATOM 253 O LEU A 18 -7.262 -7.001 3.651 1.00 0.00 O ATOM 254 CB LEU A 18 -5.661 -8.917 2.240 1.00 0.00 C ATOM 255 CG LEU A 18 -4.906 -7.758 1.579 1.00 0.00 C ATOM 256 CD1 LEU A 18 -4.634 -6.648 2.585 1.00 0.00 C ATOM 257 CD2 LEU A 18 -3.603 -8.252 0.965 1.00 0.00 C ATOM 0 H LEU A 18 -6.910 -8.959 0.040 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.637 -9.618 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.394 -8.946 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.315 -9.852 1.798 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.532 -7.352 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.097 -5.836 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.579 -6.273 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.030 -7.039 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.080 -7.416 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.975 -8.685 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.820 -9.009 0.211 1.00 0.00 H new ATOM 269 N PHE A 19 -8.621 -6.881 1.859 1.00 0.00 N ATOM 270 CA PHE A 19 -9.176 -5.584 2.234 1.00 0.00 C ATOM 271 C PHE A 19 -10.690 -5.614 2.111 1.00 0.00 C ATOM 272 O PHE A 19 -11.406 -5.412 3.090 1.00 0.00 O ATOM 273 CB PHE A 19 -8.589 -4.479 1.345 1.00 0.00 C ATOM 274 CG PHE A 19 -9.017 -3.092 1.738 1.00 0.00 C ATOM 275 CD1 PHE A 19 -10.237 -2.582 1.319 1.00 0.00 C ATOM 276 CD2 PHE A 19 -8.198 -2.298 2.523 1.00 0.00 C ATOM 277 CE1 PHE A 19 -10.629 -1.306 1.677 1.00 0.00 C ATOM 278 CE2 PHE A 19 -8.585 -1.022 2.884 1.00 0.00 C ATOM 279 CZ PHE A 19 -9.802 -0.525 2.460 1.00 0.00 C ATOM 0 H PHE A 19 -8.998 -7.266 0.993 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.912 -5.371 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.501 -4.537 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.885 -4.661 0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.888 -3.189 0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.245 -2.681 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.581 -0.920 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.937 -0.414 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.106 0.473 2.740 1.00 0.00 H new ATOM 289 N ALA A 20 -11.164 -5.879 0.898 1.00 0.00 N ATOM 290 CA ALA A 20 -12.594 -5.962 0.621 1.00 0.00 C ATOM 291 C ALA A 20 -12.854 -6.138 -0.877 1.00 0.00 C ATOM 292 O ALA A 20 -13.825 -5.601 -1.413 1.00 0.00 O ATOM 293 CB ALA A 20 -13.317 -4.726 1.149 1.00 0.00 C ATOM 0 H ALA A 20 -10.572 -6.041 0.083 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.986 -6.838 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.382 -4.807 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.170 -4.651 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.915 -3.835 0.666 1.00 0.00 H new ATOM 299 N LYS A 21 -11.976 -6.891 -1.550 1.00 0.00 N ATOM 300 CA LYS A 21 -12.100 -7.131 -2.986 1.00 0.00 C ATOM 301 C LYS A 21 -12.310 -5.816 -3.746 1.00 0.00 C ATOM 302 O LYS A 21 -12.991 -5.780 -4.772 1.00 0.00 O ATOM 303 CB LYS A 21 -13.251 -8.105 -3.266 1.00 0.00 C ATOM 304 CG LYS A 21 -13.245 -9.332 -2.363 1.00 0.00 C ATOM 305 CD LYS A 21 -14.134 -9.135 -1.143 1.00 0.00 C ATOM 306 CE LYS A 21 -14.739 -10.449 -0.670 1.00 0.00 C ATOM 307 NZ LYS A 21 -14.137 -10.916 0.613 1.00 0.00 N ATOM 0 H LYS A 21 -11.171 -7.344 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.171 -7.579 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.198 -7.580 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.197 -8.429 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.587 -10.200 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.225 -9.542 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.551 -8.691 -0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.932 -8.433 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.814 -10.327 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.594 -11.211 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.579 -11.814 0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.115 -11.058 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.297 -10.202 1.352 1.00 0.00 H new ATOM 321 N GLN A 22 -11.719 -4.733 -3.227 1.00 0.00 N ATOM 322 CA GLN A 22 -11.839 -3.419 -3.844 1.00 0.00 C ATOM 323 C GLN A 22 -10.880 -3.275 -5.019 1.00 0.00 C ATOM 324 O GLN A 22 -9.987 -4.103 -5.211 1.00 0.00 O ATOM 325 CB GLN A 22 -11.562 -2.321 -2.814 1.00 0.00 C ATOM 326 CG GLN A 22 -12.790 -1.906 -2.020 1.00 0.00 C ATOM 327 CD GLN A 22 -13.881 -1.309 -2.892 1.00 0.00 C ATOM 328 OE1 GLN A 22 -13.860 -0.118 -3.201 1.00 0.00 O ATOM 329 NE2 GLN A 22 -14.842 -2.135 -3.291 1.00 0.00 N ATOM 0 H GLN A 22 -11.153 -4.748 -2.379 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.859 -3.316 -4.215 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.794 -2.668 -2.123 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.159 -1.447 -3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.187 -2.774 -1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.498 -1.179 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.820 -3.116 -3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.602 -1.789 -3.877 1.00 0.00 H new ATOM 338 N THR A 23 -11.065 -2.214 -5.801 1.00 0.00 N ATOM 339 CA THR A 23 -10.211 -1.958 -6.953 1.00 0.00 C ATOM 340 C THR A 23 -9.182 -0.873 -6.637 1.00 0.00 C ATOM 341 O THR A 23 -8.007 -1.171 -6.442 1.00 0.00 O ATOM 342 CB THR A 23 -11.055 -1.562 -8.172 1.00 0.00 C ATOM 343 OG1 THR A 23 -12.025 -0.592 -7.819 1.00 0.00 O ATOM 344 CG2 THR A 23 -11.784 -2.731 -8.800 1.00 0.00 C ATOM 0 H THR A 23 -11.798 -1.520 -5.656 1.00 0.00 H new ATOM 0 HA THR A 23 -9.674 -2.877 -7.189 1.00 0.00 H new ATOM 0 HB THR A 23 -10.345 -1.164 -8.897 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.551 -0.352 -8.610 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.362 -2.382 -9.656 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.060 -3.476 -9.130 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.456 -3.177 -8.067 1.00 0.00 H new ATOM 352 N SER A 24 -9.632 0.383 -6.579 1.00 0.00 N ATOM 353 CA SER A 24 -8.742 1.505 -6.283 1.00 0.00 C ATOM 354 C SER A 24 -9.390 2.480 -5.303 1.00 0.00 C ATOM 355 O SER A 24 -10.617 2.554 -5.206 1.00 0.00 O ATOM 356 CB SER A 24 -8.359 2.239 -7.573 1.00 0.00 C ATOM 357 OG SER A 24 -9.478 2.892 -8.147 1.00 0.00 O ATOM 0 H SER A 24 -10.605 0.647 -6.733 1.00 0.00 H new ATOM 0 HA SER A 24 -7.841 1.102 -5.820 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.579 2.970 -7.360 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.944 1.529 -8.288 1.00 0.00 H new ATOM 0 HG SER A 24 -9.203 3.353 -8.967 1.00 0.00 H new ATOM 363 N LEU A 25 -8.555 3.221 -4.572 1.00 0.00 N ATOM 364 CA LEU A 25 -9.043 4.189 -3.589 1.00 0.00 C ATOM 365 C LEU A 25 -8.204 5.471 -3.603 1.00 0.00 C ATOM 366 O LEU A 25 -7.108 5.499 -4.168 1.00 0.00 O ATOM 367 CB LEU A 25 -9.023 3.572 -2.188 1.00 0.00 C ATOM 368 CG LEU A 25 -9.877 2.309 -2.018 1.00 0.00 C ATOM 369 CD1 LEU A 25 -9.040 1.059 -2.244 1.00 0.00 C ATOM 370 CD2 LEU A 25 -10.517 2.282 -0.637 1.00 0.00 C ATOM 0 H LEU A 25 -7.539 3.169 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.067 4.450 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.992 3.332 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.365 4.321 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.670 2.328 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.665 0.175 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.630 1.073 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.224 1.032 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.119 1.380 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.738 2.288 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.153 3.159 -0.513 1.00 0.00 H new ATOM 382 N GLN A 26 -8.728 6.527 -2.976 1.00 0.00 N ATOM 383 CA GLN A 26 -8.032 7.810 -2.909 1.00 0.00 C ATOM 384 C GLN A 26 -8.013 8.343 -1.479 1.00 0.00 C ATOM 385 O GLN A 26 -9.067 8.581 -0.884 1.00 0.00 O ATOM 386 CB GLN A 26 -8.700 8.829 -3.837 1.00 0.00 C ATOM 387 CG GLN A 26 -7.972 9.016 -5.160 1.00 0.00 C ATOM 388 CD GLN A 26 -8.773 8.512 -6.345 1.00 0.00 C ATOM 389 OE1 GLN A 26 -9.386 9.292 -7.071 1.00 0.00 O ATOM 390 NE2 GLN A 26 -8.772 7.199 -6.546 1.00 0.00 N ATOM 0 H GLN A 26 -9.634 6.517 -2.507 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.004 7.654 -3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.723 8.510 -4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.759 9.790 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.749 10.074 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.017 8.491 -5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.249 6.587 -5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.294 6.802 -7.328 1.00 0.00 H new ATOM 399 N LEU A 27 -6.813 8.526 -0.929 1.00 0.00 N ATOM 400 CA LEU A 27 -6.664 9.029 0.433 1.00 0.00 C ATOM 401 C LEU A 27 -6.352 10.524 0.431 1.00 0.00 C ATOM 402 O LEU A 27 -5.602 11.008 -0.419 1.00 0.00 O ATOM 403 CB LEU A 27 -5.559 8.262 1.169 1.00 0.00 C ATOM 404 CG LEU A 27 -5.641 6.735 1.056 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.252 6.118 1.131 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.542 6.166 2.146 1.00 0.00 C ATOM 0 H LEU A 27 -5.932 8.333 -1.406 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.609 8.875 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.593 8.588 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.589 8.535 2.224 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.074 6.484 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.331 5.034 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.640 6.500 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.790 6.377 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.588 5.081 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.139 6.427 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.544 6.582 2.044 1.00 0.00 H new ATOM 504 N THR A 35 5.836 11.496 6.805 1.00 0.00 N ATOM 505 CA THR A 35 5.224 10.182 6.610 1.00 0.00 C ATOM 506 C THR A 35 5.869 9.445 5.436 1.00 0.00 C ATOM 507 O THR A 35 5.860 9.934 4.305 1.00 0.00 O ATOM 508 CB THR A 35 3.716 10.326 6.376 1.00 0.00 C ATOM 509 OG1 THR A 35 3.116 11.100 7.402 1.00 0.00 O ATOM 510 CG2 THR A 35 2.985 9.002 6.313 1.00 0.00 C ATOM 0 HA THR A 35 5.389 9.596 7.514 1.00 0.00 H new ATOM 0 HB THR A 35 3.626 10.817 5.407 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.790 11.683 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.923 9.180 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.386 8.404 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.119 8.467 7.253 1.00 0.00 H new ATOM 518 N ASN A 36 6.421 8.266 5.715 1.00 0.00 N ATOM 519 CA ASN A 36 7.068 7.452 4.688 1.00 0.00 C ATOM 520 C ASN A 36 6.186 6.263 4.303 1.00 0.00 C ATOM 521 O ASN A 36 5.034 6.174 4.734 1.00 0.00 O ATOM 522 CB ASN A 36 8.442 6.969 5.178 1.00 0.00 C ATOM 523 CG ASN A 36 8.355 6.047 6.386 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.625 6.323 7.338 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.103 4.951 6.351 1.00 0.00 N ATOM 0 H ASN A 36 6.433 7.852 6.647 1.00 0.00 H new ATOM 0 HA ASN A 36 7.212 8.068 3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.948 6.447 4.366 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.055 7.834 5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.087 4.298 7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.693 4.762 5.541 1.00 0.00 H new ATOM 532 N LEU A 37 6.727 5.357 3.486 1.00 0.00 N ATOM 533 CA LEU A 37 5.978 4.181 3.042 1.00 0.00 C ATOM 534 C LEU A 37 5.451 3.378 4.228 1.00 0.00 C ATOM 535 O LEU A 37 4.352 2.825 4.167 1.00 0.00 O ATOM 536 CB LEU A 37 6.848 3.287 2.156 1.00 0.00 C ATOM 537 CG LEU A 37 6.071 2.267 1.320 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.496 2.337 -0.138 1.00 0.00 C ATOM 539 CD2 LEU A 37 6.262 0.860 1.871 1.00 0.00 C ATOM 0 H LEU A 37 7.677 5.415 3.120 1.00 0.00 H new ATOM 0 HA LEU A 37 5.127 4.536 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.430 3.919 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.559 2.754 2.787 1.00 0.00 H new ATOM 0 HG LEU A 37 5.011 2.513 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.933 1.605 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.299 3.336 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.561 2.120 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.701 0.151 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.320 0.601 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.901 0.820 2.899 1.00 0.00 H new ATOM 551 N ASN A 38 6.234 3.327 5.307 1.00 0.00 N ATOM 552 CA ASN A 38 5.830 2.601 6.510 1.00 0.00 C ATOM 553 C ASN A 38 4.468 3.098 6.990 1.00 0.00 C ATOM 554 O ASN A 38 3.611 2.308 7.387 1.00 0.00 O ATOM 555 CB ASN A 38 6.871 2.778 7.617 1.00 0.00 C ATOM 556 CG ASN A 38 6.666 1.815 8.771 1.00 0.00 C ATOM 557 OD1 ASN A 38 5.602 1.788 9.389 1.00 0.00 O ATOM 558 ND2 ASN A 38 7.686 1.016 9.070 1.00 0.00 N ATOM 0 H ASN A 38 7.147 3.778 5.372 1.00 0.00 H new ATOM 0 HA ASN A 38 5.757 1.541 6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.867 2.632 7.200 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.828 3.801 7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.603 0.349 9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.551 1.070 8.532 1.00 0.00 H new ATOM 565 N GLY A 39 4.270 4.414 6.923 1.00 0.00 N ATOM 566 CA GLY A 39 3.005 4.999 7.326 1.00 0.00 C ATOM 567 C GLY A 39 1.908 4.721 6.315 1.00 0.00 C ATOM 568 O GLY A 39 0.736 4.615 6.676 1.00 0.00 O ATOM 0 H GLY A 39 4.966 5.084 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.713 4.600 8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.124 6.076 7.446 1.00 0.00 H new ATOM 572 N LEU A 40 2.295 4.591 5.042 1.00 0.00 N ATOM 573 CA LEU A 40 1.347 4.311 3.968 1.00 0.00 C ATOM 574 C LEU A 40 0.685 2.952 4.174 1.00 0.00 C ATOM 575 O LEU A 40 -0.542 2.831 4.116 1.00 0.00 O ATOM 576 CB LEU A 40 2.067 4.346 2.616 1.00 0.00 C ATOM 577 CG LEU A 40 1.181 4.103 1.392 1.00 0.00 C ATOM 578 CD1 LEU A 40 1.774 4.779 0.163 1.00 0.00 C ATOM 579 CD2 LEU A 40 1.002 2.610 1.151 1.00 0.00 C ATOM 0 H LEU A 40 3.263 4.676 4.733 1.00 0.00 H new ATOM 0 HA LEU A 40 0.571 5.076 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.550 5.317 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.858 3.596 2.625 1.00 0.00 H new ATOM 0 HG LEU A 40 0.200 4.538 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.132 4.596 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.849 5.852 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.767 4.373 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.369 2.456 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.975 2.150 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.533 2.154 2.023 1.00 0.00 H new ATOM 591 N VAL A 41 1.507 1.934 4.417 1.00 0.00 N ATOM 592 CA VAL A 41 1.008 0.581 4.638 1.00 0.00 C ATOM 593 C VAL A 41 0.226 0.501 5.944 1.00 0.00 C ATOM 594 O VAL A 41 -0.915 0.042 5.963 1.00 0.00 O ATOM 595 CB VAL A 41 2.137 -0.476 4.650 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.341 -1.044 3.256 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.445 0.094 5.187 1.00 0.00 C ATOM 0 H VAL A 41 2.522 2.021 4.466 1.00 0.00 H new ATOM 0 HA VAL A 41 0.350 0.356 3.799 1.00 0.00 H new ATOM 0 HB VAL A 41 1.829 -1.277 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.138 -1.787 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.418 -1.513 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.613 -0.240 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.211 -0.682 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.764 0.926 4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.297 0.446 6.208 1.00 0.00 H new ATOM 607 N GLN A 42 0.843 0.964 7.027 1.00 0.00 N ATOM 608 CA GLN A 42 0.208 0.967 8.346 1.00 0.00 C ATOM 609 C GLN A 42 -1.146 1.692 8.325 1.00 0.00 C ATOM 610 O GLN A 42 -2.004 1.429 9.165 1.00 0.00 O ATOM 611 CB GLN A 42 1.133 1.626 9.372 1.00 0.00 C ATOM 612 CG GLN A 42 2.121 0.664 10.015 1.00 0.00 C ATOM 613 CD GLN A 42 1.971 0.593 11.523 1.00 0.00 C ATOM 614 OE1 GLN A 42 1.794 1.612 12.192 1.00 0.00 O ATOM 615 NE2 GLN A 42 2.045 -0.616 12.071 1.00 0.00 N ATOM 0 H GLN A 42 1.789 1.345 7.019 1.00 0.00 H new ATOM 0 HA GLN A 42 0.028 -0.070 8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.686 2.429 8.885 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.526 2.085 10.153 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.981 -0.331 9.593 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.137 0.974 9.769 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.193 -1.435 11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.954 -0.724 13.081 1.00 0.00 H new ATOM 624 N LEU A 43 -1.337 2.592 7.355 1.00 0.00 N ATOM 625 CA LEU A 43 -2.591 3.337 7.228 1.00 0.00 C ATOM 626 C LEU A 43 -3.616 2.532 6.426 1.00 0.00 C ATOM 627 O LEU A 43 -4.822 2.749 6.544 1.00 0.00 O ATOM 628 CB LEU A 43 -2.336 4.686 6.548 1.00 0.00 C ATOM 629 CG LEU A 43 -3.487 5.692 6.636 1.00 0.00 C ATOM 630 CD1 LEU A 43 -2.954 7.086 6.929 1.00 0.00 C ATOM 631 CD2 LEU A 43 -4.298 5.692 5.347 1.00 0.00 C ATOM 0 H LEU A 43 -0.639 2.821 6.647 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.991 3.512 8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.448 5.136 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.111 4.507 5.496 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.142 5.393 7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.785 7.788 6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.417 7.078 7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.277 7.392 6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.111 6.413 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.653 5.965 4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.711 4.698 5.177 1.00 0.00 H new ATOM 643 N LEU A 44 -3.120 1.602 5.610 1.00 0.00 N ATOM 644 CA LEU A 44 -3.972 0.758 4.785 1.00 0.00 C ATOM 645 C LEU A 44 -4.310 -0.547 5.505 1.00 0.00 C ATOM 646 O LEU A 44 -5.476 -0.930 5.582 1.00 0.00 O ATOM 647 CB LEU A 44 -3.273 0.488 3.440 1.00 0.00 C ATOM 648 CG LEU A 44 -3.891 -0.602 2.560 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.523 -1.982 3.086 1.00 0.00 C ATOM 650 CD2 LEU A 44 -5.400 -0.435 2.472 1.00 0.00 C ATOM 0 H LEU A 44 -2.123 1.416 5.505 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.913 1.275 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.255 1.418 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.236 0.218 3.642 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.486 -0.503 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.970 -2.745 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.439 -2.096 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.896 -2.095 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.817 -1.221 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.832 -0.503 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.634 0.538 2.041 1.00 0.00 H new ATOM 662 N LYS A 45 -3.295 -1.234 6.026 1.00 0.00 N ATOM 663 CA LYS A 45 -3.516 -2.491 6.728 1.00 0.00 C ATOM 664 C LYS A 45 -3.766 -2.265 8.222 1.00 0.00 C ATOM 665 O LYS A 45 -4.893 -2.401 8.688 1.00 0.00 O ATOM 666 CB LYS A 45 -2.344 -3.457 6.503 1.00 0.00 C ATOM 667 CG LYS A 45 -0.967 -2.806 6.443 1.00 0.00 C ATOM 668 CD LYS A 45 0.113 -3.735 6.976 1.00 0.00 C ATOM 669 CE LYS A 45 1.348 -3.725 6.088 1.00 0.00 C ATOM 670 NZ LYS A 45 2.514 -3.088 6.763 1.00 0.00 N ATOM 0 H LYS A 45 -2.319 -0.942 5.975 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.415 -2.947 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.344 -4.196 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.513 -3.997 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.737 -2.533 5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.974 -1.884 7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.388 -3.432 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.280 -4.750 7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.604 -4.748 5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.127 -3.190 5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.274 -2.932 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.224 -2.176 7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.859 -3.711 7.521 1.00 0.00 H new ATOM 684 N THR A 46 -2.723 -1.914 8.972 1.00 0.00 N ATOM 685 CA THR A 46 -2.857 -1.679 10.413 1.00 0.00 C ATOM 686 C THR A 46 -4.027 -0.738 10.742 1.00 0.00 C ATOM 687 O THR A 46 -4.562 -0.780 11.851 1.00 0.00 O ATOM 688 CB THR A 46 -1.548 -1.116 10.982 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.433 -1.823 10.462 1.00 0.00 O ATOM 690 CG2 THR A 46 -1.467 -1.186 12.493 1.00 0.00 C ATOM 0 H THR A 46 -1.778 -1.786 8.610 1.00 0.00 H new ATOM 0 HA THR A 46 -3.072 -2.640 10.880 1.00 0.00 H new ATOM 0 HB THR A 46 -1.532 -0.068 10.683 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.153 -2.097 11.198 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.516 -0.771 12.826 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.285 -0.612 12.928 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.542 -2.225 12.814 1.00 0.00 H new ATOM 698 N ASN A 47 -4.419 0.110 9.785 1.00 0.00 N ATOM 699 CA ASN A 47 -5.519 1.050 9.999 1.00 0.00 C ATOM 700 C ASN A 47 -6.801 0.639 9.259 1.00 0.00 C ATOM 701 O ASN A 47 -7.897 1.019 9.671 1.00 0.00 O ATOM 702 CB ASN A 47 -5.097 2.454 9.564 1.00 0.00 C ATOM 703 CG ASN A 47 -5.628 3.537 10.489 1.00 0.00 C ATOM 704 OD1 ASN A 47 -5.736 3.338 11.699 1.00 0.00 O ATOM 705 ND2 ASN A 47 -5.959 4.690 9.923 1.00 0.00 N ATOM 0 H ASN A 47 -3.992 0.163 8.860 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.745 1.041 11.065 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.009 2.509 9.533 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -5.454 2.639 8.551 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.319 5.454 10.495 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.854 4.813 8.916 1.00 0.00 H new ATOM 712 N TYR A 48 -6.668 -0.116 8.161 1.00 0.00 N ATOM 713 CA TYR A 48 -7.839 -0.539 7.384 1.00 0.00 C ATOM 714 C TYR A 48 -7.733 -2.003 6.921 1.00 0.00 C ATOM 715 O TYR A 48 -8.018 -2.321 5.765 1.00 0.00 O ATOM 716 CB TYR A 48 -8.018 0.382 6.170 1.00 0.00 C ATOM 717 CG TYR A 48 -8.835 1.622 6.453 1.00 0.00 C ATOM 718 CD1 TYR A 48 -10.218 1.610 6.320 1.00 0.00 C ATOM 719 CD2 TYR A 48 -8.224 2.807 6.845 1.00 0.00 C ATOM 720 CE1 TYR A 48 -10.968 2.744 6.566 1.00 0.00 C ATOM 721 CE2 TYR A 48 -8.967 3.944 7.096 1.00 0.00 C ATOM 722 CZ TYR A 48 -10.339 3.908 6.955 1.00 0.00 C ATOM 723 OH TYR A 48 -11.082 5.039 7.198 1.00 0.00 O ATOM 0 H TYR A 48 -5.774 -0.443 7.795 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.709 -0.466 8.037 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.035 0.682 5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.496 -0.180 5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.715 0.699 6.019 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.150 2.839 6.955 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.042 2.719 6.454 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.476 4.857 7.401 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.487 5.771 7.464 1.00 0.00 H new ATOM 733 N VAL A 49 -7.332 -2.888 7.831 1.00 0.00 N ATOM 734 CA VAL A 49 -7.196 -4.314 7.521 1.00 0.00 C ATOM 735 C VAL A 49 -8.346 -5.126 8.110 1.00 0.00 C ATOM 736 O VAL A 49 -8.934 -4.754 9.126 1.00 0.00 O ATOM 737 CB VAL A 49 -5.861 -4.898 8.042 1.00 0.00 C ATOM 738 CG1 VAL A 49 -5.831 -4.916 9.566 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.631 -6.297 7.485 1.00 0.00 C ATOM 0 H VAL A 49 -7.094 -2.644 8.792 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.215 -4.388 6.434 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.054 -4.253 7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.882 -5.331 9.906 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.939 -3.899 9.944 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.650 -5.531 9.939 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.687 -6.689 7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.446 -6.951 7.795 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.595 -6.254 6.396 1.00 0.00 H new ATOM 749 N LYS A 50 -8.643 -6.244 7.457 1.00 0.00 N ATOM 750 CA LYS A 50 -9.709 -7.143 7.893 1.00 0.00 C ATOM 751 C LYS A 50 -9.218 -8.592 7.916 1.00 0.00 C ATOM 752 O LYS A 50 -9.535 -9.347 8.836 1.00 0.00 O ATOM 753 CB LYS A 50 -10.924 -7.017 6.970 1.00 0.00 C ATOM 754 CG LYS A 50 -10.560 -6.848 5.505 1.00 0.00 C ATOM 755 CD LYS A 50 -11.327 -7.822 4.620 1.00 0.00 C ATOM 756 CE LYS A 50 -10.950 -9.269 4.909 1.00 0.00 C ATOM 757 NZ LYS A 50 -12.074 -10.208 4.636 1.00 0.00 N ATOM 0 H LYS A 50 -8.156 -6.553 6.616 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.002 -6.859 8.904 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.547 -7.904 7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.524 -6.164 7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.774 -5.826 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.489 -7.004 5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.398 -7.688 4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.126 -7.597 3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.090 -9.547 4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.646 -9.362 5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.424 -10.600 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.844 -9.698 4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.740 -10.982 4.027 1.00 0.00 H new ATOM 771 N GLU A 51 -8.434 -8.969 6.901 1.00 0.00 N ATOM 772 CA GLU A 51 -7.888 -10.320 6.804 1.00 0.00 C ATOM 773 C GLU A 51 -6.664 -10.465 7.712 1.00 0.00 C ATOM 774 O GLU A 51 -6.411 -9.608 8.562 1.00 0.00 O ATOM 775 CB GLU A 51 -7.516 -10.638 5.349 1.00 0.00 C ATOM 776 CG GLU A 51 -7.948 -12.024 4.893 1.00 0.00 C ATOM 777 CD GLU A 51 -9.447 -12.136 4.691 1.00 0.00 C ATOM 778 OE1 GLU A 51 -10.167 -12.339 5.690 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.901 -12.016 3.534 1.00 0.00 O ATOM 0 H GLU A 51 -8.164 -8.353 6.134 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.648 -11.029 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.971 -9.893 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.436 -10.547 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.441 -12.269 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.630 -12.760 5.631 1.00 0.00 H new ATOM 786 N ARG A 52 -5.909 -11.547 7.529 1.00 0.00 N ATOM 787 CA ARG A 52 -4.717 -11.794 8.336 1.00 0.00 C ATOM 788 C ARG A 52 -3.664 -10.707 8.107 1.00 0.00 C ATOM 789 O ARG A 52 -3.073 -10.629 7.032 1.00 0.00 O ATOM 790 CB ARG A 52 -4.119 -13.170 8.016 1.00 0.00 C ATOM 791 CG ARG A 52 -4.438 -14.234 9.053 1.00 0.00 C ATOM 792 CD ARG A 52 -4.660 -15.592 8.407 1.00 0.00 C ATOM 793 NE ARG A 52 -4.047 -16.675 9.174 1.00 0.00 N ATOM 794 CZ ARG A 52 -4.580 -17.204 10.279 1.00 0.00 C ATOM 795 NH1 ARG A 52 -5.734 -16.748 10.759 1.00 0.00 N ATOM 796 NH2 ARG A 52 -3.955 -18.193 10.908 1.00 0.00 N ATOM 0 H ARG A 52 -6.102 -12.265 6.830 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.018 -11.774 9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.489 -13.500 7.045 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.037 -13.074 7.929 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.621 -14.301 9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.329 -13.945 9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.730 -15.777 8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.247 -15.584 7.398 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.157 -17.050 8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.220 -15.988 10.283 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.133 -17.158 11.603 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.069 -18.548 10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.361 -18.598 11.752 1.00 0.00 H new ATOM 810 N PRO A 53 -3.401 -9.859 9.121 1.00 0.00 N ATOM 811 CA PRO A 53 -2.399 -8.790 9.010 1.00 0.00 C ATOM 812 C PRO A 53 -1.000 -9.338 8.730 1.00 0.00 C ATOM 813 O PRO A 53 -0.157 -8.645 8.160 1.00 0.00 O ATOM 814 CB PRO A 53 -2.435 -8.102 10.379 1.00 0.00 C ATOM 815 CG PRO A 53 -3.087 -9.081 11.296 1.00 0.00 C ATOM 816 CD PRO A 53 -4.040 -9.876 10.449 1.00 0.00 C ATOM 0 HA PRO A 53 -2.621 -8.118 8.181 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.430 -7.853 10.720 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.997 -7.169 10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.346 -9.730 11.763 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.615 -8.569 12.101 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.162 -10.892 10.825 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.032 -9.424 10.425 1.00 0.00 H new ATOM 824 N ASP A 54 -0.764 -10.589 9.131 1.00 0.00 N ATOM 825 CA ASP A 54 0.530 -11.233 8.926 1.00 0.00 C ATOM 826 C ASP A 54 0.578 -12.022 7.613 1.00 0.00 C ATOM 827 O ASP A 54 1.545 -12.743 7.359 1.00 0.00 O ATOM 828 CB ASP A 54 0.848 -12.160 10.100 1.00 0.00 C ATOM 829 CG ASP A 54 1.140 -11.396 11.376 1.00 0.00 C ATOM 830 OD1 ASP A 54 0.175 -10.996 12.060 1.00 0.00 O ATOM 831 OD2 ASP A 54 2.333 -11.196 11.688 1.00 0.00 O ATOM 0 H ASP A 54 -1.455 -11.175 9.600 1.00 0.00 H new ATOM 0 HA ASP A 54 1.280 -10.445 8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.007 -12.833 10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.707 -12.781 9.847 1.00 0.00 H new ATOM 836 N LEU A 55 -0.450 -11.884 6.771 1.00 0.00 N ATOM 837 CA LEU A 55 -0.478 -12.592 5.493 1.00 0.00 C ATOM 838 C LEU A 55 0.242 -11.792 4.405 1.00 0.00 C ATOM 839 O LEU A 55 0.766 -12.368 3.451 1.00 0.00 O ATOM 840 CB LEU A 55 -1.922 -12.903 5.069 1.00 0.00 C ATOM 841 CG LEU A 55 -2.709 -11.738 4.456 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.430 -11.624 2.968 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.200 -11.916 4.695 1.00 0.00 C ATOM 0 H LEU A 55 -1.264 -11.295 6.950 1.00 0.00 H new ATOM 0 HA LEU A 55 0.050 -13.536 5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.900 -13.720 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.466 -13.264 5.942 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.383 -10.818 4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.999 -10.791 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.366 -11.451 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.725 -12.548 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.742 -11.080 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.533 -12.847 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.395 -11.949 5.767 1.00 0.00 H new ATOM 855 N LEU A 56 0.267 -10.463 4.552 1.00 0.00 N ATOM 856 CA LEU A 56 0.926 -9.602 3.571 1.00 0.00 C ATOM 857 C LEU A 56 2.331 -9.213 4.013 1.00 0.00 C ATOM 858 O LEU A 56 3.270 -9.285 3.221 1.00 0.00 O ATOM 859 CB LEU A 56 0.116 -8.327 3.296 1.00 0.00 C ATOM 860 CG LEU A 56 -0.497 -7.634 4.519 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.705 -6.154 4.237 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.818 -8.291 4.910 1.00 0.00 C ATOM 0 H LEU A 56 -0.158 -9.966 5.335 1.00 0.00 H new ATOM 0 HA LEU A 56 0.992 -10.186 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.764 -7.613 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.689 -8.576 2.604 1.00 0.00 H new ATOM 0 HG LEU A 56 0.196 -7.738 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.141 -5.674 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.254 -5.689 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.377 -6.037 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.234 -7.782 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.519 -8.221 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.645 -9.340 5.151 1.00 0.00 H new ATOM 874 N VAL A 57 2.473 -8.783 5.267 1.00 0.00 N ATOM 875 CA VAL A 57 3.776 -8.367 5.781 1.00 0.00 C ATOM 876 C VAL A 57 4.805 -9.482 5.667 1.00 0.00 C ATOM 877 O VAL A 57 4.474 -10.667 5.738 1.00 0.00 O ATOM 878 CB VAL A 57 3.717 -7.896 7.249 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.099 -6.512 7.339 1.00 0.00 C ATOM 880 CG2 VAL A 57 2.961 -8.894 8.117 1.00 0.00 C ATOM 0 H VAL A 57 1.709 -8.714 5.939 1.00 0.00 H new ATOM 0 HA VAL A 57 4.076 -7.523 5.159 1.00 0.00 H new ATOM 0 HB VAL A 57 4.737 -7.838 7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.065 -6.196 8.382 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.700 -5.807 6.765 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.087 -6.538 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.936 -8.535 9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.942 -9.001 7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.464 -9.861 8.082 1.00 0.00 H new ATOM 890 N ASP A 58 6.057 -9.081 5.487 1.00 0.00 N ATOM 891 CA ASP A 58 7.162 -10.024 5.359 1.00 0.00 C ATOM 892 C ASP A 58 7.368 -10.795 6.660 1.00 0.00 C ATOM 893 O ASP A 58 7.324 -12.027 6.675 1.00 0.00 O ATOM 894 CB ASP A 58 8.444 -9.284 4.973 1.00 0.00 C ATOM 895 CG ASP A 58 9.483 -10.206 4.368 1.00 0.00 C ATOM 896 OD1 ASP A 58 10.197 -10.883 5.139 1.00 0.00 O ATOM 897 OD2 ASP A 58 9.581 -10.254 3.124 1.00 0.00 O ATOM 0 H ASP A 58 6.334 -8.101 5.426 1.00 0.00 H new ATOM 0 HA ASP A 58 6.916 -10.738 4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.204 -8.494 4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.861 -8.801 5.856 1.00 0.00 H new ATOM 902 N GLN A 59 7.580 -10.061 7.753 1.00 0.00 N ATOM 903 CA GLN A 59 7.780 -10.672 9.065 1.00 0.00 C ATOM 904 C GLN A 59 7.850 -9.616 10.167 1.00 0.00 C ATOM 905 O GLN A 59 7.251 -9.782 11.232 1.00 0.00 O ATOM 906 CB GLN A 59 9.052 -11.528 9.082 1.00 0.00 C ATOM 907 CG GLN A 59 8.890 -12.846 9.823 1.00 0.00 C ATOM 908 CD GLN A 59 10.163 -13.674 9.843 1.00 0.00 C ATOM 909 OE1 GLN A 59 10.942 -13.660 8.890 1.00 0.00 O ATOM 910 NE2 GLN A 59 10.379 -14.402 10.932 1.00 0.00 N ATOM 0 H GLN A 59 7.617 -9.042 7.754 1.00 0.00 H new ATOM 0 HA GLN A 59 6.920 -11.314 9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.355 -11.733 8.055 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.857 -10.958 9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.578 -12.645 10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.094 -13.425 9.355 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.707 -14.384 11.699 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.217 -14.979 11.002 1.00 0.00 H new ATOM 919 N THR A 60 8.585 -8.534 9.912 1.00 0.00 N ATOM 920 CA THR A 60 8.730 -7.456 10.890 1.00 0.00 C ATOM 921 C THR A 60 7.608 -6.417 10.768 1.00 0.00 C ATOM 922 O THR A 60 7.696 -5.337 11.353 1.00 0.00 O ATOM 923 CB THR A 60 10.095 -6.775 10.737 1.00 0.00 C ATOM 924 OG1 THR A 60 10.230 -6.187 9.451 1.00 0.00 O ATOM 925 CG2 THR A 60 11.263 -7.722 10.937 1.00 0.00 C ATOM 0 H THR A 60 9.088 -8.381 9.038 1.00 0.00 H new ATOM 0 HA THR A 60 8.660 -7.905 11.881 1.00 0.00 H new ATOM 0 HB THR A 60 10.124 -6.016 11.518 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.108 -5.757 9.378 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.199 -7.176 10.815 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.219 -8.147 11.940 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.212 -8.524 10.200 1.00 0.00 H new ATOM 933 N GLY A 61 6.555 -6.747 10.011 1.00 0.00 N ATOM 934 CA GLY A 61 5.445 -5.824 9.837 1.00 0.00 C ATOM 935 C GLY A 61 5.878 -4.491 9.246 1.00 0.00 C ATOM 936 O GLY A 61 5.190 -3.482 9.405 1.00 0.00 O ATOM 0 H GLY A 61 6.455 -7.635 9.519 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.697 -6.279 9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.967 -5.651 10.801 1.00 0.00 H new ATOM 940 N GLN A 62 7.023 -4.494 8.563 1.00 0.00 N ATOM 941 CA GLN A 62 7.560 -3.285 7.943 1.00 0.00 C ATOM 942 C GLN A 62 7.441 -3.363 6.424 1.00 0.00 C ATOM 943 O GLN A 62 7.085 -2.384 5.765 1.00 0.00 O ATOM 944 CB GLN A 62 9.026 -3.089 8.349 1.00 0.00 C ATOM 945 CG GLN A 62 9.504 -1.647 8.260 1.00 0.00 C ATOM 946 CD GLN A 62 11.018 -1.523 8.315 1.00 0.00 C ATOM 947 OE1 GLN A 62 11.741 -2.498 8.105 1.00 0.00 O ATOM 948 NE2 GLN A 62 11.506 -0.320 8.599 1.00 0.00 N ATOM 0 H GLN A 62 7.598 -5.325 8.425 1.00 0.00 H new ATOM 0 HA GLN A 62 6.980 -2.431 8.292 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.160 -3.443 9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.655 -3.710 7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.142 -1.206 7.332 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.067 -1.073 9.077 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.872 0.461 8.766 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.515 -0.178 8.650 1.00 0.00 H new ATOM 957 N THR A 63 7.728 -4.544 5.878 1.00 0.00 N ATOM 958 CA THR A 63 7.645 -4.776 4.439 1.00 0.00 C ATOM 959 C THR A 63 6.632 -5.884 4.153 1.00 0.00 C ATOM 960 O THR A 63 5.982 -6.382 5.074 1.00 0.00 O ATOM 961 CB THR A 63 9.022 -5.148 3.874 1.00 0.00 C ATOM 962 OG1 THR A 63 9.423 -6.430 4.327 1.00 0.00 O ATOM 963 CG2 THR A 63 10.114 -4.171 4.255 1.00 0.00 C ATOM 0 H THR A 63 8.022 -5.359 6.416 1.00 0.00 H new ATOM 0 HA THR A 63 7.314 -3.859 3.951 1.00 0.00 H new ATOM 0 HB THR A 63 8.899 -5.129 2.791 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.302 -6.648 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.060 -4.496 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.863 -3.180 3.877 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.206 -4.133 5.340 1.00 0.00 H new ATOM 971 N LEU A 64 6.499 -6.275 2.886 1.00 0.00 N ATOM 972 CA LEU A 64 5.560 -7.332 2.513 1.00 0.00 C ATOM 973 C LEU A 64 6.298 -8.591 2.063 1.00 0.00 C ATOM 974 O LEU A 64 7.453 -8.529 1.640 1.00 0.00 O ATOM 975 CB LEU A 64 4.616 -6.858 1.405 1.00 0.00 C ATOM 976 CG LEU A 64 3.599 -5.776 1.801 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.399 -5.818 0.868 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.145 -5.938 3.249 1.00 0.00 C ATOM 0 H LEU A 64 7.025 -5.880 2.106 1.00 0.00 H new ATOM 0 HA LEU A 64 4.970 -7.573 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.219 -6.477 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.069 -7.722 1.028 1.00 0.00 H new ATOM 0 HG LEU A 64 4.090 -4.807 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.685 -5.047 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.728 -5.641 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.922 -6.796 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.426 -5.156 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.677 -6.914 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.007 -5.860 3.912 1.00 0.00 H new ATOM 990 N ARG A 65 5.616 -9.730 2.155 1.00 0.00 N ATOM 991 CA ARG A 65 6.192 -11.015 1.761 1.00 0.00 C ATOM 992 C ARG A 65 6.394 -11.092 0.246 1.00 0.00 C ATOM 993 O ARG A 65 5.713 -10.400 -0.514 1.00 0.00 O ATOM 994 CB ARG A 65 5.296 -12.169 2.230 1.00 0.00 C ATOM 995 CG ARG A 65 3.899 -12.149 1.625 1.00 0.00 C ATOM 996 CD ARG A 65 3.543 -13.484 0.985 1.00 0.00 C ATOM 997 NE ARG A 65 2.545 -14.219 1.763 1.00 0.00 N ATOM 998 CZ ARG A 65 1.821 -15.233 1.283 1.00 0.00 C ATOM 999 NH1 ARG A 65 1.977 -15.642 0.026 1.00 0.00 N ATOM 1000 NH2 ARG A 65 0.929 -15.839 2.060 1.00 0.00 N ATOM 0 H ARG A 65 4.658 -9.790 2.501 1.00 0.00 H new ATOM 0 HA ARG A 65 7.167 -11.103 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.777 -13.115 1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.212 -12.133 3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.170 -11.911 2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.838 -11.359 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.163 -13.313 -0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.444 -14.090 0.887 1.00 0.00 H new ATOM 0 HE ARG A 65 2.393 -13.939 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.655 -15.180 -0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.419 -16.418 -0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.798 -15.529 3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.376 -16.614 1.693 1.00 0.00 H new ATOM 1014 N PRO A 66 7.334 -11.945 -0.214 1.00 0.00 N ATOM 1015 CA PRO A 66 7.623 -12.116 -1.646 1.00 0.00 C ATOM 1016 C PRO A 66 6.379 -12.476 -2.451 1.00 0.00 C ATOM 1017 O PRO A 66 5.587 -13.328 -2.040 1.00 0.00 O ATOM 1018 CB PRO A 66 8.629 -13.270 -1.677 1.00 0.00 C ATOM 1019 CG PRO A 66 9.260 -13.264 -0.328 1.00 0.00 C ATOM 1020 CD PRO A 66 8.190 -12.807 0.624 1.00 0.00 C ATOM 0 HA PRO A 66 7.997 -11.196 -2.094 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.134 -14.220 -1.878 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.372 -13.126 -2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.622 -14.257 -0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.119 -12.594 -0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.633 -13.648 1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.610 -12.259 1.467 1.00 0.00 H new ATOM 1028 N GLY A 67 6.211 -11.820 -3.597 1.00 0.00 N ATOM 1029 CA GLY A 67 5.060 -12.077 -4.444 1.00 0.00 C ATOM 1030 C GLY A 67 4.412 -10.797 -4.939 1.00 0.00 C ATOM 1031 O GLY A 67 4.155 -10.650 -6.135 1.00 0.00 O ATOM 0 H GLY A 67 6.854 -11.113 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.368 -12.680 -5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.327 -12.662 -3.889 1.00 0.00 H new ATOM 1035 N ILE A 68 4.153 -9.871 -4.016 1.00 0.00 N ATOM 1036 CA ILE A 68 3.536 -8.592 -4.359 1.00 0.00 C ATOM 1037 C ILE A 68 4.573 -7.605 -4.897 1.00 0.00 C ATOM 1038 O ILE A 68 5.675 -7.495 -4.357 1.00 0.00 O ATOM 1039 CB ILE A 68 2.831 -7.953 -3.142 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.922 -8.968 -2.444 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.032 -6.729 -3.568 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.866 -8.786 -0.945 1.00 0.00 C ATOM 0 H ILE A 68 4.362 -9.984 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 68 2.795 -8.803 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 68 3.597 -7.637 -2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.915 -8.884 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.274 -9.975 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.543 -6.293 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.702 -5.994 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.278 -7.023 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.205 -9.537 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.866 -8.899 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.486 -7.791 -0.713 1.00 0.00 H new ATOM 1054 N LEU A 69 4.205 -6.887 -5.954 1.00 0.00 N ATOM 1055 CA LEU A 69 5.092 -5.902 -6.563 1.00 0.00 C ATOM 1056 C LEU A 69 4.624 -4.485 -6.236 1.00 0.00 C ATOM 1057 O LEU A 69 3.653 -3.993 -6.818 1.00 0.00 O ATOM 1058 CB LEU A 69 5.143 -6.099 -8.084 1.00 0.00 C ATOM 1059 CG LEU A 69 6.548 -6.274 -8.671 1.00 0.00 C ATOM 1060 CD1 LEU A 69 6.838 -7.745 -8.942 1.00 0.00 C ATOM 1061 CD2 LEU A 69 6.696 -5.457 -9.948 1.00 0.00 C ATOM 0 H LEU A 69 3.295 -6.970 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 69 6.093 -6.043 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.547 -6.975 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.671 -5.241 -8.562 1.00 0.00 H new ATOM 0 HG LEU A 69 7.272 -5.911 -7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.840 -7.848 -9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.773 -8.306 -8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.109 -8.135 -9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.699 -5.592 -10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.961 -5.791 -10.681 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.533 -4.402 -9.726 1.00 0.00 H new ATOM 1073 N VAL A 70 5.319 -3.834 -5.302 1.00 0.00 N ATOM 1074 CA VAL A 70 4.971 -2.471 -4.904 1.00 0.00 C ATOM 1075 C VAL A 70 5.581 -1.457 -5.869 1.00 0.00 C ATOM 1076 O VAL A 70 6.772 -1.519 -6.180 1.00 0.00 O ATOM 1077 CB VAL A 70 5.433 -2.145 -3.465 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.605 -2.909 -2.442 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.915 -2.436 -3.288 1.00 0.00 C ATOM 0 H VAL A 70 6.122 -4.227 -4.810 1.00 0.00 H new ATOM 0 HA VAL A 70 3.883 -2.404 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 70 5.278 -1.079 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.950 -2.662 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.556 -2.633 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.716 -3.980 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.213 -2.198 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.105 -3.491 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.491 -1.828 -3.985 1.00 0.00 H new ATOM 1089 N LEU A 71 4.755 -0.529 -6.347 1.00 0.00 N ATOM 1090 CA LEU A 71 5.210 0.494 -7.285 1.00 0.00 C ATOM 1091 C LEU A 71 4.790 1.890 -6.835 1.00 0.00 C ATOM 1092 O LEU A 71 3.717 2.071 -6.254 1.00 0.00 O ATOM 1093 CB LEU A 71 4.662 0.222 -8.694 1.00 0.00 C ATOM 1094 CG LEU A 71 4.465 -1.254 -9.053 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.701 -1.383 -10.362 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.808 -1.967 -9.140 1.00 0.00 C ATOM 0 H LEU A 71 3.767 -0.465 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 71 6.299 0.451 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.705 0.734 -8.797 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.341 0.667 -9.421 1.00 0.00 H new ATOM 0 HG LEU A 71 3.879 -1.727 -8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.569 -2.438 -10.604 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.725 -0.909 -10.262 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.261 -0.895 -11.160 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.648 -3.014 -9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.421 -1.495 -9.908 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.317 -1.902 -8.178 1.00 0.00 H new ATOM 1108 N VAL A 72 5.640 2.874 -7.124 1.00 0.00 N ATOM 1109 CA VAL A 72 5.372 4.262 -6.775 1.00 0.00 C ATOM 1110 C VAL A 72 5.310 5.125 -8.030 1.00 0.00 C ATOM 1111 O VAL A 72 6.271 5.184 -8.799 1.00 0.00 O ATOM 1112 CB VAL A 72 6.439 4.838 -5.822 1.00 0.00 C ATOM 1113 CG1 VAL A 72 6.154 4.412 -4.389 1.00 0.00 C ATOM 1114 CG2 VAL A 72 7.841 4.417 -6.246 1.00 0.00 C ATOM 0 H VAL A 72 6.528 2.730 -7.604 1.00 0.00 H new ATOM 0 HA VAL A 72 4.410 4.278 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 72 6.391 5.926 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.915 4.826 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.173 4.780 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.169 3.324 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.572 4.838 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.914 3.330 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.041 4.782 -7.253 1.00 0.00 H new ATOM 1124 N ASN A 73 4.169 5.786 -8.236 1.00 0.00 N ATOM 1125 CA ASN A 73 3.970 6.641 -9.409 1.00 0.00 C ATOM 1126 C ASN A 73 4.173 5.838 -10.697 1.00 0.00 C ATOM 1127 O ASN A 73 4.798 6.313 -11.648 1.00 0.00 O ATOM 1128 CB ASN A 73 4.928 7.841 -9.378 1.00 0.00 C ATOM 1129 CG ASN A 73 4.754 8.708 -8.141 1.00 0.00 C ATOM 1130 OD1 ASN A 73 4.508 8.209 -7.043 1.00 0.00 O ATOM 1131 ND2 ASN A 73 4.887 10.019 -8.314 1.00 0.00 N ATOM 0 H ASN A 73 3.368 5.746 -7.606 1.00 0.00 H new ATOM 0 HA ASN A 73 2.947 7.016 -9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.956 7.480 -9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.767 8.450 -10.268 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.785 10.651 -7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.091 10.393 -9.241 1.00 0.00 H new ATOM 1138 N SER A 74 3.646 4.610 -10.713 1.00 0.00 N ATOM 1139 CA SER A 74 3.768 3.721 -11.869 1.00 0.00 C ATOM 1140 C SER A 74 5.230 3.324 -12.119 1.00 0.00 C ATOM 1141 O SER A 74 5.635 3.103 -13.262 1.00 0.00 O ATOM 1142 CB SER A 74 3.182 4.389 -13.118 1.00 0.00 C ATOM 1143 OG SER A 74 2.469 3.456 -13.909 1.00 0.00 O ATOM 0 H SER A 74 3.128 4.208 -9.932 1.00 0.00 H new ATOM 0 HA SER A 74 3.205 2.813 -11.652 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.518 5.201 -12.822 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.985 4.832 -13.708 1.00 0.00 H new ATOM 0 HG SER A 74 2.104 3.908 -14.698 1.00 0.00 H new ATOM 1149 N CYS A 75 6.018 3.230 -11.045 1.00 0.00 N ATOM 1150 CA CYS A 75 7.428 2.855 -11.157 1.00 0.00 C ATOM 1151 C CYS A 75 7.846 1.965 -9.986 1.00 0.00 C ATOM 1152 O CYS A 75 7.277 2.054 -8.901 1.00 0.00 O ATOM 1153 CB CYS A 75 8.308 4.109 -11.206 1.00 0.00 C ATOM 1154 SG CYS A 75 9.955 3.830 -11.903 1.00 0.00 S ATOM 0 H CYS A 75 5.704 3.408 -10.091 1.00 0.00 H new ATOM 0 HA CYS A 75 7.560 2.293 -12.082 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.801 4.873 -11.795 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.415 4.504 -10.196 1.00 0.00 H new ATOM 0 HG CYS A 75 10.621 4.947 -11.904 1.00 0.00 H new ATOM 1160 N ASP A 76 8.840 1.104 -10.215 1.00 0.00 N ATOM 1161 CA ASP A 76 9.329 0.193 -9.176 1.00 0.00 C ATOM 1162 C ASP A 76 9.632 0.936 -7.876 1.00 0.00 C ATOM 1163 O ASP A 76 10.514 1.795 -7.830 1.00 0.00 O ATOM 1164 CB ASP A 76 10.583 -0.547 -9.651 1.00 0.00 C ATOM 1165 CG ASP A 76 10.281 -1.588 -10.713 1.00 0.00 C ATOM 1166 OD1 ASP A 76 9.564 -2.563 -10.403 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.766 -1.429 -11.853 1.00 0.00 O ATOM 0 H ASP A 76 9.322 1.018 -11.110 1.00 0.00 H new ATOM 0 HA ASP A 76 8.537 -0.531 -8.981 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.297 0.174 -10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.059 -1.031 -8.798 1.00 0.00 H new ATOM 1172 N ALA A 77 8.896 0.594 -6.818 1.00 0.00 N ATOM 1173 CA ALA A 77 9.083 1.225 -5.512 1.00 0.00 C ATOM 1174 C ALA A 77 10.201 0.555 -4.711 1.00 0.00 C ATOM 1175 O ALA A 77 10.761 1.162 -3.800 1.00 0.00 O ATOM 1176 CB ALA A 77 7.785 1.198 -4.715 1.00 0.00 C ATOM 0 H ALA A 77 8.165 -0.117 -6.840 1.00 0.00 H new ATOM 0 HA ALA A 77 9.374 2.260 -5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.943 1.672 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.011 1.738 -5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.470 0.165 -4.567 1.00 0.00 H new ATOM 1182 N GLU A 78 10.522 -0.693 -5.054 1.00 0.00 N ATOM 1183 CA GLU A 78 11.572 -1.431 -4.359 1.00 0.00 C ATOM 1184 C GLU A 78 12.952 -0.937 -4.780 1.00 0.00 C ATOM 1185 O GLU A 78 13.911 -1.024 -4.011 1.00 0.00 O ATOM 1186 CB GLU A 78 11.446 -2.932 -4.631 1.00 0.00 C ATOM 1187 CG GLU A 78 10.059 -3.487 -4.344 1.00 0.00 C ATOM 1188 CD GLU A 78 9.973 -4.180 -2.997 1.00 0.00 C ATOM 1189 OE1 GLU A 78 9.998 -3.476 -1.965 1.00 0.00 O ATOM 1190 OE2 GLU A 78 9.878 -5.424 -2.974 1.00 0.00 O ATOM 0 H GLU A 78 10.070 -1.211 -5.807 1.00 0.00 H new ATOM 0 HA GLU A 78 11.453 -1.257 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.698 -3.127 -5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.175 -3.466 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.333 -2.675 -4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.785 -4.192 -5.129 1.00 0.00 H new ATOM 1197 N VAL A 79 13.049 -0.415 -6.003 1.00 0.00 N ATOM 1198 CA VAL A 79 14.315 0.089 -6.514 1.00 0.00 C ATOM 1199 C VAL A 79 14.705 1.397 -5.821 1.00 0.00 C ATOM 1200 O VAL A 79 15.874 1.608 -5.493 1.00 0.00 O ATOM 1201 CB VAL A 79 14.270 0.315 -8.039 1.00 0.00 C ATOM 1202 CG1 VAL A 79 15.650 0.678 -8.567 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.729 -0.919 -8.755 1.00 0.00 C ATOM 0 H VAL A 79 12.267 -0.332 -6.653 1.00 0.00 H new ATOM 0 HA VAL A 79 15.065 -0.673 -6.299 1.00 0.00 H new ATOM 0 HB VAL A 79 13.595 1.147 -8.239 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.598 0.834 -9.645 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.995 1.592 -8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.347 -0.132 -8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.707 -0.736 -9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.374 -1.773 -8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.720 -1.131 -8.402 1.00 0.00 H new ATOM 1213 N VAL A 80 13.723 2.274 -5.601 1.00 0.00 N ATOM 1214 CA VAL A 80 13.973 3.560 -4.946 1.00 0.00 C ATOM 1215 C VAL A 80 14.203 3.396 -3.443 1.00 0.00 C ATOM 1216 O VAL A 80 14.962 4.156 -2.842 1.00 0.00 O ATOM 1217 CB VAL A 80 12.811 4.558 -5.165 1.00 0.00 C ATOM 1218 CG1 VAL A 80 12.780 5.027 -6.612 1.00 0.00 C ATOM 1219 CG2 VAL A 80 11.476 3.941 -4.765 1.00 0.00 C ATOM 0 H VAL A 80 12.750 2.118 -5.866 1.00 0.00 H new ATOM 0 HA VAL A 80 14.876 3.959 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 80 12.981 5.424 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.957 5.728 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.721 5.520 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.639 4.169 -7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.677 4.664 -4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.291 3.052 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.504 3.665 -3.711 1.00 0.00 H new ATOM 1229 N GLY A 81 13.538 2.409 -2.839 1.00 0.00 N ATOM 1230 CA GLY A 81 13.687 2.182 -1.412 1.00 0.00 C ATOM 1231 C GLY A 81 12.975 0.930 -0.929 1.00 0.00 C ATOM 1232 O GLY A 81 13.547 0.136 -0.180 1.00 0.00 O ATOM 0 H GLY A 81 12.902 1.767 -3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.747 2.105 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.299 3.045 -0.871 1.00 0.00 H new ATOM 1236 N GLY A 82 11.721 0.757 -1.350 1.00 0.00 N ATOM 1237 CA GLY A 82 10.947 -0.401 -0.941 1.00 0.00 C ATOM 1238 C GLY A 82 10.060 -0.104 0.255 1.00 0.00 C ATOM 1239 O GLY A 82 8.850 -0.323 0.206 1.00 0.00 O ATOM 0 H GLY A 82 11.229 1.402 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.330 -0.736 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.623 -1.220 -0.695 1.00 0.00 H new ATOM 1243 N MET A 83 10.668 0.401 1.328 1.00 0.00 N ATOM 1244 CA MET A 83 9.931 0.738 2.544 1.00 0.00 C ATOM 1245 C MET A 83 10.375 2.093 3.109 1.00 0.00 C ATOM 1246 O MET A 83 10.221 2.355 4.304 1.00 0.00 O ATOM 1247 CB MET A 83 10.118 -0.363 3.599 1.00 0.00 C ATOM 1248 CG MET A 83 11.573 -0.668 3.929 1.00 0.00 C ATOM 1249 SD MET A 83 12.347 -1.770 2.728 1.00 0.00 S ATOM 1250 CE MET A 83 14.042 -1.195 2.780 1.00 0.00 C ATOM 0 H MET A 83 11.670 0.586 1.379 1.00 0.00 H new ATOM 0 HA MET A 83 8.874 0.812 2.287 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.604 -0.066 4.513 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.638 -1.275 3.245 1.00 0.00 H new ATOM 0 HG2 MET A 83 12.134 0.265 3.973 1.00 0.00 H new ATOM 0 HG3 MET A 83 11.629 -1.120 4.919 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.647 -1.781 2.088 1.00 0.00 H new ATOM 0 HE2 MET A 83 14.079 -0.144 2.493 1.00 0.00 H new ATOM 0 HE3 MET A 83 14.434 -1.309 3.791 1.00 0.00 H new ATOM 1260 N ASP A 84 10.927 2.956 2.246 1.00 0.00 N ATOM 1261 CA ASP A 84 11.391 4.276 2.672 1.00 0.00 C ATOM 1262 C ASP A 84 10.906 5.390 1.732 1.00 0.00 C ATOM 1263 O ASP A 84 11.445 6.499 1.752 1.00 0.00 O ATOM 1264 CB ASP A 84 12.922 4.288 2.754 1.00 0.00 C ATOM 1265 CG ASP A 84 13.451 5.414 3.621 1.00 0.00 C ATOM 1266 OD1 ASP A 84 13.068 5.480 4.809 1.00 0.00 O ATOM 1267 OD2 ASP A 84 14.248 6.229 3.113 1.00 0.00 O ATOM 0 H ASP A 84 11.061 2.762 1.254 1.00 0.00 H new ATOM 0 HA ASP A 84 10.967 4.472 3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.268 3.334 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.335 4.383 1.750 1.00 0.00 H new ATOM 1272 N TYR A 85 9.892 5.099 0.914 1.00 0.00 N ATOM 1273 CA TYR A 85 9.353 6.089 -0.021 1.00 0.00 C ATOM 1274 C TYR A 85 8.439 7.090 0.692 1.00 0.00 C ATOM 1275 O TYR A 85 7.436 6.707 1.291 1.00 0.00 O ATOM 1276 CB TYR A 85 8.586 5.391 -1.146 1.00 0.00 C ATOM 1277 CG TYR A 85 8.393 6.251 -2.376 1.00 0.00 C ATOM 1278 CD1 TYR A 85 9.438 6.468 -3.266 1.00 0.00 C ATOM 1279 CD2 TYR A 85 7.165 6.839 -2.647 1.00 0.00 C ATOM 1280 CE1 TYR A 85 9.263 7.249 -4.393 1.00 0.00 C ATOM 1281 CE2 TYR A 85 6.983 7.621 -3.771 1.00 0.00 C ATOM 1282 CZ TYR A 85 8.034 7.823 -4.641 1.00 0.00 C ATOM 1283 OH TYR A 85 7.856 8.601 -5.764 1.00 0.00 O ATOM 0 H TYR A 85 9.430 4.191 0.880 1.00 0.00 H new ATOM 0 HA TYR A 85 10.193 6.640 -0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.119 4.483 -1.428 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.610 5.084 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.402 6.020 -3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.339 6.683 -1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.084 7.409 -5.076 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.022 8.072 -3.968 1.00 0.00 H new ATOM 0 HH TYR A 85 6.933 8.929 -5.792 1.00 0.00 H new ATOM 1293 N VAL A 86 8.800 8.375 0.616 1.00 0.00 N ATOM 1294 CA VAL A 86 8.018 9.439 1.256 1.00 0.00 C ATOM 1295 C VAL A 86 6.641 9.595 0.609 1.00 0.00 C ATOM 1296 O VAL A 86 6.477 9.371 -0.592 1.00 0.00 O ATOM 1297 CB VAL A 86 8.749 10.804 1.209 1.00 0.00 C ATOM 1298 CG1 VAL A 86 9.937 10.815 2.160 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.194 11.136 -0.209 1.00 0.00 C ATOM 0 H VAL A 86 9.628 8.704 0.118 1.00 0.00 H new ATOM 0 HA VAL A 86 7.896 9.137 2.296 1.00 0.00 H new ATOM 0 HB VAL A 86 8.046 11.572 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.434 11.784 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.590 10.638 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.639 10.031 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.704 12.099 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.874 10.363 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.323 11.184 -0.862 1.00 0.00 H new ATOM 1309 N LEU A 87 5.654 9.979 1.420 1.00 0.00 N ATOM 1310 CA LEU A 87 4.285 10.166 0.938 1.00 0.00 C ATOM 1311 C LEU A 87 3.994 11.639 0.653 1.00 0.00 C ATOM 1312 O LEU A 87 4.615 12.531 1.234 1.00 0.00 O ATOM 1313 CB LEU A 87 3.289 9.632 1.973 1.00 0.00 C ATOM 1314 CG LEU A 87 2.322 8.559 1.464 1.00 0.00 C ATOM 1315 CD1 LEU A 87 1.826 7.706 2.621 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.149 9.192 0.725 1.00 0.00 C ATOM 0 H LEU A 87 5.778 10.167 2.415 1.00 0.00 H new ATOM 0 HA LEU A 87 4.177 9.611 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.849 9.222 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.706 10.469 2.357 1.00 0.00 H new ATOM 0 HG LEU A 87 2.857 7.919 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.139 6.947 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.674 7.221 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.309 8.338 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.476 8.410 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.610 9.858 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.520 9.762 -0.127 1.00 0.00 H new ATOM 1328 N ASN A 88 3.036 11.885 -0.241 1.00 0.00 N ATOM 1329 CA ASN A 88 2.646 13.246 -0.605 1.00 0.00 C ATOM 1330 C ASN A 88 1.389 13.238 -1.473 1.00 0.00 C ATOM 1331 O ASN A 88 1.126 12.273 -2.192 1.00 0.00 O ATOM 1332 CB ASN A 88 3.785 13.953 -1.350 1.00 0.00 C ATOM 1333 CG ASN A 88 4.348 15.133 -0.577 1.00 0.00 C ATOM 1334 OD1 ASN A 88 5.485 15.095 -0.106 1.00 0.00 O ATOM 1335 ND2 ASN A 88 3.558 16.195 -0.441 1.00 0.00 N ATOM 0 H ASN A 88 2.514 11.156 -0.728 1.00 0.00 H new ATOM 0 HA ASN A 88 2.433 13.789 0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 88 4.584 13.238 -1.546 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.421 14.298 -2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.889 17.015 0.068 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.622 16.189 -0.845 1.00 0.00 H new ATOM 1342 N ASP A 89 0.615 14.323 -1.401 1.00 0.00 N ATOM 1343 CA ASP A 89 -0.615 14.448 -2.184 1.00 0.00 C ATOM 1344 C ASP A 89 -0.311 14.284 -3.671 1.00 0.00 C ATOM 1345 O ASP A 89 0.302 15.155 -4.292 1.00 0.00 O ATOM 1346 CB ASP A 89 -1.292 15.804 -1.933 1.00 0.00 C ATOM 1347 CG ASP A 89 -1.431 16.151 -0.456 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -1.254 15.251 0.394 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -1.715 17.327 -0.150 1.00 0.00 O ATOM 0 H ASP A 89 0.819 15.128 -0.808 1.00 0.00 H new ATOM 0 HA ASP A 89 -1.299 13.660 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.716 16.586 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.281 15.797 -2.391 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.730 13.151 -4.227 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.484 12.864 -5.629 1.00 0.00 C ATOM 1356 C GLY A 90 0.428 11.658 -5.824 1.00 0.00 C ATOM 1357 O GLY A 90 1.086 11.538 -6.862 1.00 0.00 O ATOM 0 H GLY A 90 -1.239 12.422 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.434 12.683 -6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.034 13.737 -6.102 1.00 0.00 H new ATOM 1361 N ASP A 91 0.463 10.764 -4.829 1.00 0.00 N ATOM 1362 CA ASP A 91 1.293 9.564 -4.895 1.00 0.00 C ATOM 1363 C ASP A 91 0.491 8.389 -5.449 1.00 0.00 C ATOM 1364 O ASP A 91 -0.735 8.459 -5.549 1.00 0.00 O ATOM 1365 CB ASP A 91 1.842 9.219 -3.502 1.00 0.00 C ATOM 1366 CG ASP A 91 3.286 8.753 -3.537 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.107 9.399 -4.222 1.00 0.00 O ATOM 1368 OD2 ASP A 91 3.599 7.739 -2.876 1.00 0.00 O ATOM 0 H ASP A 91 -0.077 10.853 -3.968 1.00 0.00 H new ATOM 0 HA ASP A 91 2.130 9.760 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.763 10.095 -2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.224 8.440 -3.056 1.00 0.00 H new ATOM 1373 N THR A 92 1.186 7.313 -5.807 1.00 0.00 N ATOM 1374 CA THR A 92 0.532 6.127 -6.349 1.00 0.00 C ATOM 1375 C THR A 92 1.195 4.855 -5.826 1.00 0.00 C ATOM 1376 O THR A 92 2.337 4.556 -6.172 1.00 0.00 O ATOM 1377 CB THR A 92 0.569 6.144 -7.881 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.134 7.267 -8.391 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.038 4.904 -8.503 1.00 0.00 C ATOM 0 H THR A 92 2.200 7.238 -5.732 1.00 0.00 H new ATOM 0 HA THR A 92 -0.508 6.137 -6.022 1.00 0.00 H new ATOM 0 HB THR A 92 1.626 6.189 -8.145 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.097 7.259 -9.370 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.019 4.977 -9.589 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.511 4.024 -8.169 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.081 4.818 -8.199 1.00 0.00 H new ATOM 1387 N VAL A 93 0.466 4.114 -4.995 1.00 0.00 N ATOM 1388 CA VAL A 93 0.976 2.870 -4.424 1.00 0.00 C ATOM 1389 C VAL A 93 0.060 1.693 -4.761 1.00 0.00 C ATOM 1390 O VAL A 93 -1.126 1.699 -4.428 1.00 0.00 O ATOM 1391 CB VAL A 93 1.142 2.984 -2.890 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.204 3.214 -2.211 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.829 1.745 -2.333 1.00 0.00 C ATOM 0 H VAL A 93 -0.481 4.354 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 93 1.955 2.689 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 93 1.773 3.847 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.060 3.291 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.647 4.137 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.869 2.379 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.937 1.843 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.229 0.864 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.814 1.640 -2.788 1.00 0.00 H new ATOM 1403 N GLU A 94 0.619 0.685 -5.432 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.150 -0.496 -5.822 1.00 0.00 C ATOM 1405 C GLU A 94 0.486 -1.778 -5.288 1.00 0.00 C ATOM 1406 O GLU A 94 1.690 -1.829 -5.036 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.257 -0.587 -7.348 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.734 0.695 -8.016 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.088 0.928 -9.370 1.00 0.00 C ATOM 1410 OE1 GLU A 94 0.140 -0.059 -10.102 1.00 0.00 O ATOM 1411 OE2 GLU A 94 0.185 2.100 -9.702 1.00 0.00 O ATOM 0 H GLU A 94 1.599 0.663 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.145 -0.392 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.718 -0.854 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.942 -1.395 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.817 0.655 -8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.517 1.541 -7.364 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.337 -2.814 -5.140 1.00 0.00 N ATOM 1419 CA PHE A 95 0.127 -4.111 -4.656 1.00 0.00 C ATOM 1420 C PHE A 95 -0.405 -5.226 -5.560 1.00 0.00 C ATOM 1421 O PHE A 95 -1.588 -5.572 -5.501 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.327 -4.338 -3.208 1.00 0.00 C ATOM 1423 CG PHE A 95 0.156 -3.286 -2.245 1.00 0.00 C ATOM 1424 CD1 PHE A 95 -0.504 -2.073 -2.134 1.00 0.00 C ATOM 1425 CD2 PHE A 95 1.269 -3.513 -1.451 1.00 0.00 C ATOM 1426 CE1 PHE A 95 -0.064 -1.106 -1.249 1.00 0.00 C ATOM 1427 CE2 PHE A 95 1.715 -2.550 -0.566 1.00 0.00 C ATOM 1428 CZ PHE A 95 1.046 -1.346 -0.463 1.00 0.00 C ATOM 0 H PHE A 95 -1.335 -2.779 -5.350 1.00 0.00 H new ATOM 0 HA PHE A 95 1.217 -4.125 -4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.416 -4.370 -3.180 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.029 -5.313 -2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.373 -1.880 -2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.794 -4.454 -1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.588 -0.164 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.586 -2.739 0.044 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.390 -0.594 0.231 1.00 0.00 H new ATOM 1438 N ILE A 96 0.471 -5.770 -6.408 1.00 0.00 N ATOM 1439 CA ILE A 96 0.085 -6.832 -7.339 1.00 0.00 C ATOM 1440 C ILE A 96 0.924 -8.094 -7.121 1.00 0.00 C ATOM 1441 O ILE A 96 2.149 -8.064 -7.258 1.00 0.00 O ATOM 1442 CB ILE A 96 0.241 -6.375 -8.810 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -0.408 -5.003 -9.025 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -0.365 -7.403 -9.757 1.00 0.00 C ATOM 1445 CD1 ILE A 96 -0.052 -4.365 -10.351 1.00 0.00 C ATOM 0 H ILE A 96 1.451 -5.493 -6.469 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.963 -7.057 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 96 1.306 -6.288 -9.027 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.491 -5.109 -8.961 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.105 -4.336 -8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.246 -7.064 -10.786 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.142 -8.359 -9.629 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.425 -7.522 -9.535 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.547 -3.397 -10.434 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.028 -4.227 -10.410 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.380 -5.011 -11.165 1.00 0.00 H new ATOM 1457 N SER A 97 0.258 -9.198 -6.784 1.00 0.00 N ATOM 1458 CA SER A 97 0.941 -10.472 -6.552 1.00 0.00 C ATOM 1459 C SER A 97 1.221 -11.197 -7.868 1.00 0.00 C ATOM 1460 O SER A 97 0.490 -11.031 -8.847 1.00 0.00 O ATOM 1461 CB SER A 97 0.109 -11.371 -5.630 1.00 0.00 C ATOM 1462 OG SER A 97 -1.236 -10.931 -5.554 1.00 0.00 O ATOM 0 H SER A 97 -0.754 -9.237 -6.665 1.00 0.00 H new ATOM 0 HA SER A 97 1.894 -10.252 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.137 -12.397 -5.997 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.548 -11.377 -4.632 1.00 0.00 H new ATOM 0 HG SER A 97 -1.697 -11.410 -4.834 1.00 0.00 H new ATOM 1468 N THR A 98 2.286 -12.000 -7.885 1.00 0.00 N ATOM 1469 CA THR A 98 2.667 -12.751 -9.083 1.00 0.00 C ATOM 1470 C THR A 98 3.481 -14.002 -8.732 1.00 0.00 C ATOM 1471 O THR A 98 3.213 -15.087 -9.252 1.00 0.00 O ATOM 1472 CB THR A 98 3.467 -11.862 -10.045 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.050 -10.763 -9.362 1.00 0.00 O ATOM 1474 CG2 THR A 98 2.626 -11.311 -11.178 1.00 0.00 C ATOM 0 H THR A 98 2.900 -12.147 -7.084 1.00 0.00 H new ATOM 0 HA THR A 98 1.747 -13.072 -9.571 1.00 0.00 H new ATOM 0 HB THR A 98 4.238 -12.510 -10.462 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.555 -10.214 -9.997 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.247 -10.691 -11.824 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.211 -12.136 -11.757 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.814 -10.710 -10.769 1.00 0.00 H new