USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 60 ASN : amide:sc= 0.471 K(o=1.4,f=-1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.924 K(o=1.4,f=-1) USER MOD Set 2.1: A 25 ASN : amide:sc= -1.17 K(o=0.026,f=-3!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -151:sc= 1.19 (180deg=0.408) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.206 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 1 MET N :NH3+ -131:sc= 1.44 (180deg=-0.192) USER MOD Set 4.2: A 2 GLN : amide:sc= 0.407 K(o=1.8,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0.292 (180deg=0.276) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.458 USER MOD Single : A 20 SER OG : rot -17:sc= 0.776 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= 2.45 (180deg=0.541) USER MOD Single : A 31 GLN : amide:sc= 1.09 K(o=1.1,f=-0.026) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 1.14 (180deg=1.06) USER MOD Single : A 40 GLN : amide:sc= 0.965 K(o=0.97,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.026 K(o=-0.026,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.58) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -159:sc= 1.12 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.252 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.242 -12.526 6.673 1.00 0.00 N ATOM 2 CA MET A 1 -6.461 -11.878 5.345 1.00 0.00 C ATOM 3 C MET A 1 -5.583 -10.628 5.175 1.00 0.00 C ATOM 4 O MET A 1 -6.060 -9.532 4.919 1.00 0.00 O ATOM 5 CB MET A 1 -7.955 -11.595 5.113 1.00 0.00 C ATOM 6 CG MET A 1 -8.649 -10.677 6.145 1.00 0.00 C ATOM 7 SD MET A 1 -8.917 -11.390 7.792 1.00 0.00 S ATOM 8 CE MET A 1 -9.991 -10.110 8.486 1.00 0.00 C ATOM 0 H1 MET A 1 -6.086 -13.546 6.540 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.409 -12.105 7.131 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.078 -12.379 7.273 1.00 0.00 H new ATOM 0 HA MET A 1 -6.147 -12.575 4.568 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.069 -11.147 4.126 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.484 -12.548 5.093 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.052 -9.772 6.256 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.615 -10.374 5.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.263 -10.378 9.507 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.464 -9.156 8.489 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.893 -10.025 7.881 1.00 0.00 H new ATOM 20 N GLN A 2 -4.271 -10.789 5.318 1.00 0.00 N ATOM 21 CA GLN A 2 -3.273 -9.749 5.065 1.00 0.00 C ATOM 22 C GLN A 2 -3.047 -9.477 3.560 1.00 0.00 C ATOM 23 O GLN A 2 -3.441 -10.277 2.708 1.00 0.00 O ATOM 24 CB GLN A 2 -1.964 -10.136 5.772 1.00 0.00 C ATOM 25 CG GLN A 2 -1.421 -11.537 5.411 1.00 0.00 C ATOM 26 CD GLN A 2 -1.900 -12.616 6.380 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.067 -12.987 6.424 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.040 -13.079 7.254 1.00 0.00 N ATOM 0 H GLN A 2 -3.859 -11.671 5.622 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.650 -8.810 5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.204 -9.394 5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.122 -10.090 6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.735 -11.796 4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.331 -11.512 5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.067 -12.774 7.223 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.344 -13.744 7.965 1.00 0.00 H new ATOM 37 N ILE A 3 -2.373 -8.366 3.245 1.00 0.00 N ATOM 38 CA ILE A 3 -1.903 -7.967 1.902 1.00 0.00 C ATOM 39 C ILE A 3 -0.413 -7.602 1.958 1.00 0.00 C ATOM 40 O ILE A 3 0.099 -7.264 3.034 1.00 0.00 O ATOM 41 CB ILE A 3 -2.752 -6.805 1.330 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.652 -5.526 2.194 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.213 -7.246 1.128 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.317 -4.289 1.580 1.00 0.00 C ATOM 0 H ILE A 3 -2.124 -7.678 3.956 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.026 -8.812 1.224 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.340 -6.548 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.106 -5.723 3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.600 -5.306 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.792 -6.415 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.247 -8.083 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.636 -7.553 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.198 -3.440 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.848 -4.061 0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.378 -4.485 1.427 1.00 0.00 H new ATOM 56 N PHE A 4 0.277 -7.651 0.813 1.00 0.00 N ATOM 57 CA PHE A 4 1.721 -7.396 0.714 1.00 0.00 C ATOM 58 C PHE A 4 2.070 -6.172 -0.146 1.00 0.00 C ATOM 59 O PHE A 4 1.530 -6.039 -1.240 1.00 0.00 O ATOM 60 CB PHE A 4 2.432 -8.643 0.174 1.00 0.00 C ATOM 61 CG PHE A 4 2.248 -9.887 1.029 1.00 0.00 C ATOM 62 CD1 PHE A 4 2.797 -9.956 2.325 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.490 -10.969 0.538 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.572 -11.092 3.127 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.270 -12.101 1.341 1.00 0.00 C ATOM 66 CZ PHE A 4 1.793 -12.158 2.644 1.00 0.00 C ATOM 0 H PHE A 4 -0.156 -7.872 -0.084 1.00 0.00 H new ATOM 0 HA PHE A 4 2.069 -7.170 1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.065 -8.850 -0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.498 -8.430 0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.391 -9.137 2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.077 -10.928 -0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.000 -11.144 4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.696 -12.931 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.598 -13.016 3.271 1.00 0.00 H new ATOM 76 N VAL A 5 3.008 -5.317 0.284 1.00 0.00 N ATOM 77 CA VAL A 5 3.534 -4.193 -0.521 1.00 0.00 C ATOM 78 C VAL A 5 5.001 -4.387 -0.900 1.00 0.00 C ATOM 79 O VAL A 5 5.836 -4.692 -0.045 1.00 0.00 O ATOM 80 CB VAL A 5 3.281 -2.812 0.123 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.579 -1.672 -0.863 1.00 0.00 C ATOM 82 CG2 VAL A 5 1.839 -2.652 0.626 1.00 0.00 C ATOM 0 H VAL A 5 3.431 -5.382 1.210 1.00 0.00 H new ATOM 0 HA VAL A 5 2.961 -4.202 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 5 3.958 -2.756 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.391 -0.714 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.623 -1.723 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.935 -1.769 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.716 -1.664 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.148 -2.764 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.628 -3.415 1.376 1.00 0.00 H new ATOM 92 N LYS A 6 5.318 -4.172 -2.183 1.00 0.00 N ATOM 93 CA LYS A 6 6.657 -4.268 -2.763 1.00 0.00 C ATOM 94 C LYS A 6 7.221 -2.864 -2.843 1.00 0.00 C ATOM 95 O LYS A 6 6.715 -2.047 -3.605 1.00 0.00 O ATOM 96 CB LYS A 6 6.558 -4.933 -4.153 1.00 0.00 C ATOM 97 CG LYS A 6 7.765 -4.745 -5.086 1.00 0.00 C ATOM 98 CD LYS A 6 9.030 -5.405 -4.519 1.00 0.00 C ATOM 99 CE LYS A 6 10.152 -5.425 -5.561 1.00 0.00 C ATOM 100 NZ LYS A 6 11.323 -6.198 -5.072 1.00 0.00 N ATOM 0 H LYS A 6 4.613 -3.915 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 6 7.321 -4.882 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.399 -6.002 -4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.673 -4.544 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.539 -5.171 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.946 -3.681 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.361 -4.863 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.803 -6.423 -4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.784 -5.865 -6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.457 -4.404 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.026 -6.282 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.749 -5.707 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.015 -7.147 -4.780 1.00 0.00 H new ATOM 114 N THR A 7 8.248 -2.574 -2.058 1.00 0.00 N ATOM 115 CA THR A 7 9.017 -1.334 -2.191 1.00 0.00 C ATOM 116 C THR A 7 9.945 -1.315 -3.411 1.00 0.00 C ATOM 117 O THR A 7 10.036 -2.293 -4.154 1.00 0.00 O ATOM 118 CB THR A 7 9.745 -0.964 -0.879 1.00 0.00 C ATOM 119 OG1 THR A 7 10.998 -1.603 -0.872 1.00 0.00 O ATOM 120 CG2 THR A 7 9.020 -1.360 0.409 1.00 0.00 C ATOM 0 H THR A 7 8.575 -3.186 -1.311 1.00 0.00 H new ATOM 0 HA THR A 7 8.287 -0.547 -2.381 1.00 0.00 H new ATOM 0 HB THR A 7 9.807 0.124 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.475 -1.378 -0.046 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.615 -1.055 1.270 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.049 -0.867 0.446 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.879 -2.441 0.430 1.00 0.00 H new ATOM 128 N LEU A 8 10.697 -0.224 -3.596 1.00 0.00 N ATOM 129 CA LEU A 8 11.778 -0.130 -4.587 1.00 0.00 C ATOM 130 C LEU A 8 13.010 -1.021 -4.255 1.00 0.00 C ATOM 131 O LEU A 8 14.032 -0.944 -4.937 1.00 0.00 O ATOM 132 CB LEU A 8 12.160 1.356 -4.782 1.00 0.00 C ATOM 133 CG LEU A 8 10.970 2.280 -5.139 1.00 0.00 C ATOM 134 CD1 LEU A 8 10.511 3.113 -3.934 1.00 0.00 C ATOM 135 CD2 LEU A 8 11.343 3.267 -6.246 1.00 0.00 C ATOM 0 H LEU A 8 10.571 0.631 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 8 11.403 -0.531 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.627 1.722 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.908 1.426 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 8 10.169 1.617 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.675 3.747 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.197 2.447 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.335 3.737 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.486 3.901 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.175 3.888 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.634 2.717 -7.141 1.00 0.00 H new ATOM 147 N THR A 9 12.932 -1.849 -3.203 1.00 0.00 N ATOM 148 CA THR A 9 14.022 -2.660 -2.628 1.00 0.00 C ATOM 149 C THR A 9 13.691 -4.147 -2.402 1.00 0.00 C ATOM 150 O THR A 9 12.583 -4.621 -2.669 1.00 0.00 O ATOM 151 CB THR A 9 14.650 -1.991 -1.378 1.00 0.00 C ATOM 152 OG1 THR A 9 13.950 -2.354 -0.206 1.00 0.00 O ATOM 153 CG2 THR A 9 14.699 -0.462 -1.404 1.00 0.00 C ATOM 0 H THR A 9 12.055 -1.980 -2.699 1.00 0.00 H new ATOM 0 HA THR A 9 14.783 -2.682 -3.408 1.00 0.00 H new ATOM 0 HB THR A 9 15.676 -2.358 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.365 -1.922 0.570 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.156 -0.097 -0.484 1.00 0.00 H new ATOM 0 HG22 THR A 9 15.289 -0.131 -2.259 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.687 -0.067 -1.488 1.00 0.00 H new ATOM 161 N GLY A 10 14.665 -4.910 -1.888 1.00 0.00 N ATOM 162 CA GLY A 10 14.481 -6.280 -1.392 1.00 0.00 C ATOM 163 C GLY A 10 13.833 -6.343 0.000 1.00 0.00 C ATOM 164 O GLY A 10 14.471 -6.812 0.945 1.00 0.00 O ATOM 0 H GLY A 10 15.627 -4.583 -1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.862 -6.834 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.449 -6.779 -1.357 1.00 0.00 H new ATOM 168 N LYS A 11 12.593 -5.853 0.135 1.00 0.00 N ATOM 169 CA LYS A 11 11.740 -5.989 1.332 1.00 0.00 C ATOM 170 C LYS A 11 10.282 -6.293 0.962 1.00 0.00 C ATOM 171 O LYS A 11 9.800 -5.839 -0.076 1.00 0.00 O ATOM 172 CB LYS A 11 11.806 -4.743 2.242 1.00 0.00 C ATOM 173 CG LYS A 11 13.146 -4.548 2.973 1.00 0.00 C ATOM 174 CD LYS A 11 12.980 -3.570 4.151 1.00 0.00 C ATOM 175 CE LYS A 11 14.316 -3.266 4.846 1.00 0.00 C ATOM 176 NZ LYS A 11 14.107 -2.544 6.127 1.00 0.00 N ATOM 0 H LYS A 11 12.136 -5.331 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 11 12.138 -6.836 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.606 -3.858 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.010 -4.809 2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.511 -5.508 3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.894 -4.166 2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.541 -2.640 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.283 -3.992 4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.850 -4.197 5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.943 -2.666 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.027 -2.353 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.618 -1.645 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.529 -3.128 6.764 1.00 0.00 H new ATOM 190 N THR A 12 9.591 -6.994 1.859 1.00 0.00 N ATOM 191 CA THR A 12 8.174 -7.384 1.753 1.00 0.00 C ATOM 192 C THR A 12 7.360 -6.886 2.938 1.00 0.00 C ATOM 193 O THR A 12 7.432 -7.453 4.030 1.00 0.00 O ATOM 194 CB THR A 12 7.991 -8.897 1.514 1.00 0.00 C ATOM 195 OG1 THR A 12 8.942 -9.382 0.594 1.00 0.00 O ATOM 196 CG2 THR A 12 6.606 -9.247 0.974 1.00 0.00 C ATOM 0 H THR A 12 10.019 -7.325 2.724 1.00 0.00 H new ATOM 0 HA THR A 12 7.781 -6.888 0.865 1.00 0.00 H new ATOM 0 HB THR A 12 8.121 -9.364 2.490 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.807 -10.343 0.460 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.535 -10.324 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.846 -8.928 1.688 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.447 -8.738 0.023 1.00 0.00 H new ATOM 204 N ILE A 13 6.627 -5.786 2.763 1.00 0.00 N ATOM 205 CA ILE A 13 5.804 -5.204 3.834 1.00 0.00 C ATOM 206 C ILE A 13 4.488 -5.978 3.918 1.00 0.00 C ATOM 207 O ILE A 13 3.836 -6.173 2.895 1.00 0.00 O ATOM 208 CB ILE A 13 5.534 -3.702 3.600 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.754 -2.908 3.078 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.947 -3.051 4.866 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.976 -2.898 4.010 1.00 0.00 C ATOM 0 H ILE A 13 6.584 -5.273 1.882 1.00 0.00 H new ATOM 0 HA ILE A 13 6.347 -5.285 4.775 1.00 0.00 H new ATOM 0 HB ILE A 13 4.798 -3.656 2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.054 -3.325 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.447 -1.878 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.764 -1.993 4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.009 -3.541 5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.652 -3.158 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.777 -2.316 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.701 -2.451 4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.318 -3.920 4.173 1.00 0.00 H new ATOM 223 N THR A 14 4.080 -6.377 5.121 1.00 0.00 N ATOM 224 CA THR A 14 2.785 -7.031 5.388 1.00 0.00 C ATOM 225 C THR A 14 1.810 -6.132 6.141 1.00 0.00 C ATOM 226 O THR A 14 2.202 -5.489 7.112 1.00 0.00 O ATOM 227 CB THR A 14 2.938 -8.400 6.077 1.00 0.00 C ATOM 228 OG1 THR A 14 3.974 -9.145 5.478 1.00 0.00 O ATOM 229 CG2 THR A 14 1.663 -9.240 6.012 1.00 0.00 C ATOM 0 H THR A 14 4.647 -6.256 5.960 1.00 0.00 H new ATOM 0 HA THR A 14 2.349 -7.217 4.407 1.00 0.00 H new ATOM 0 HB THR A 14 3.165 -8.184 7.121 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.675 -9.479 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.830 -10.193 6.513 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.851 -8.707 6.506 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.398 -9.419 4.970 1.00 0.00 H new ATOM 237 N LEU A 15 0.547 -6.086 5.708 1.00 0.00 N ATOM 238 CA LEU A 15 -0.506 -5.273 6.327 1.00 0.00 C ATOM 239 C LEU A 15 -1.758 -6.109 6.578 1.00 0.00 C ATOM 240 O LEU A 15 -2.118 -6.961 5.769 1.00 0.00 O ATOM 241 CB LEU A 15 -0.840 -4.049 5.454 1.00 0.00 C ATOM 242 CG LEU A 15 0.340 -3.092 5.237 1.00 0.00 C ATOM 243 CD1 LEU A 15 0.027 -2.134 4.087 1.00 0.00 C ATOM 244 CD2 LEU A 15 0.668 -2.273 6.487 1.00 0.00 C ATOM 0 H LEU A 15 0.221 -6.622 4.904 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.134 -4.915 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.196 -4.395 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.659 -3.499 5.917 1.00 0.00 H new ATOM 0 HG LEU A 15 1.208 -3.707 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.868 -1.457 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.146 -2.705 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.865 -1.556 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.510 -1.613 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.200 -1.677 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.928 -2.945 7.305 1.00 0.00 H new ATOM 256 N GLU A 16 -2.421 -5.836 7.696 1.00 0.00 N ATOM 257 CA GLU A 16 -3.608 -6.545 8.182 1.00 0.00 C ATOM 258 C GLU A 16 -4.847 -5.635 8.144 1.00 0.00 C ATOM 259 O GLU A 16 -4.812 -4.508 8.635 1.00 0.00 O ATOM 260 CB GLU A 16 -3.321 -7.265 9.520 1.00 0.00 C ATOM 261 CG GLU A 16 -2.668 -6.425 10.644 1.00 0.00 C ATOM 262 CD GLU A 16 -1.641 -7.195 11.504 1.00 0.00 C ATOM 263 OE1 GLU A 16 -1.666 -8.447 11.584 1.00 0.00 O ATOM 264 OE2 GLU A 16 -0.756 -6.531 12.089 1.00 0.00 O ATOM 0 H GLU A 16 -2.136 -5.081 8.320 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.861 -7.359 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.262 -7.664 9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.673 -8.117 9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.174 -5.563 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.453 -6.040 11.295 1.00 0.00 H new ATOM 271 N VAL A 17 -5.898 -6.097 7.451 1.00 0.00 N ATOM 272 CA VAL A 17 -7.039 -5.299 6.951 1.00 0.00 C ATOM 273 C VAL A 17 -8.293 -6.178 6.844 1.00 0.00 C ATOM 274 O VAL A 17 -8.202 -7.405 6.873 1.00 0.00 O ATOM 275 CB VAL A 17 -6.728 -4.672 5.565 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.576 -3.659 5.626 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.383 -5.713 4.489 1.00 0.00 C ATOM 0 H VAL A 17 -5.984 -7.084 7.210 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.215 -4.492 7.662 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.654 -4.168 5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.398 -3.250 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.838 -2.851 6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.673 -4.156 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.177 -5.207 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.503 -6.278 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.224 -6.394 4.359 1.00 0.00 H new ATOM 287 N GLU A 18 -9.469 -5.570 6.707 1.00 0.00 N ATOM 288 CA GLU A 18 -10.728 -6.272 6.392 1.00 0.00 C ATOM 289 C GLU A 18 -10.973 -6.270 4.860 1.00 0.00 C ATOM 290 O GLU A 18 -10.747 -5.237 4.229 1.00 0.00 O ATOM 291 CB GLU A 18 -11.894 -5.561 7.129 1.00 0.00 C ATOM 292 CG GLU A 18 -12.619 -6.422 8.172 1.00 0.00 C ATOM 293 CD GLU A 18 -13.736 -7.308 7.592 1.00 0.00 C ATOM 294 OE1 GLU A 18 -14.090 -7.175 6.395 1.00 0.00 O ATOM 295 OE2 GLU A 18 -14.261 -8.161 8.353 1.00 0.00 O ATOM 0 H GLU A 18 -9.584 -4.562 6.812 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.666 -7.309 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.504 -4.671 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.620 -5.224 6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.889 -7.058 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.047 -5.769 8.932 1.00 0.00 H new ATOM 302 N PRO A 19 -11.521 -7.330 4.228 1.00 0.00 N ATOM 303 CA PRO A 19 -11.983 -7.273 2.832 1.00 0.00 C ATOM 304 C PRO A 19 -13.066 -6.205 2.589 1.00 0.00 C ATOM 305 O PRO A 19 -13.223 -5.750 1.455 1.00 0.00 O ATOM 306 CB PRO A 19 -12.515 -8.678 2.512 1.00 0.00 C ATOM 307 CG PRO A 19 -12.910 -9.233 3.879 1.00 0.00 C ATOM 308 CD PRO A 19 -11.829 -8.642 4.781 1.00 0.00 C ATOM 0 HA PRO A 19 -11.160 -6.982 2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.367 -8.639 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.755 -9.295 2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.909 -8.915 4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.905 -10.323 3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.180 -8.560 5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.943 -9.277 4.797 1.00 0.00 H new ATOM 316 N SER A 20 -13.790 -5.778 3.631 1.00 0.00 N ATOM 317 CA SER A 20 -14.701 -4.629 3.557 1.00 0.00 C ATOM 318 C SER A 20 -13.999 -3.255 3.566 1.00 0.00 C ATOM 319 O SER A 20 -14.685 -2.251 3.367 1.00 0.00 O ATOM 320 CB SER A 20 -15.697 -4.707 4.726 1.00 0.00 C ATOM 321 OG SER A 20 -16.587 -3.602 4.717 1.00 0.00 O ATOM 0 H SER A 20 -13.761 -6.220 4.550 1.00 0.00 H new ATOM 0 HA SER A 20 -15.206 -4.696 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.265 -5.635 4.662 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.153 -4.731 5.670 1.00 0.00 H new ATOM 0 HG SER A 20 -16.223 -2.894 4.146 1.00 0.00 H new ATOM 327 N ASP A 21 -12.690 -3.172 3.817 1.00 0.00 N ATOM 328 CA ASP A 21 -11.974 -1.898 3.846 1.00 0.00 C ATOM 329 C ASP A 21 -12.029 -1.086 2.541 1.00 0.00 C ATOM 330 O ASP A 21 -11.733 -1.569 1.440 1.00 0.00 O ATOM 331 CB ASP A 21 -10.543 -2.030 4.406 1.00 0.00 C ATOM 332 CG ASP A 21 -10.444 -2.188 5.930 1.00 0.00 C ATOM 333 OD1 ASP A 21 -11.372 -1.764 6.660 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.382 -2.633 6.440 1.00 0.00 O ATOM 0 H ASP A 21 -12.101 -3.983 4.005 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.539 -1.295 4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.065 -2.890 3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.973 -1.149 4.111 1.00 0.00 H new ATOM 339 N THR A 22 -12.372 0.191 2.681 1.00 0.00 N ATOM 340 CA THR A 22 -12.173 1.180 1.622 1.00 0.00 C ATOM 341 C THR A 22 -10.697 1.374 1.263 1.00 0.00 C ATOM 342 O THR A 22 -9.805 1.262 2.107 1.00 0.00 O ATOM 343 CB THR A 22 -12.897 2.513 1.881 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.124 3.338 2.722 1.00 0.00 O ATOM 345 CG2 THR A 22 -14.277 2.378 2.523 1.00 0.00 C ATOM 0 H THR A 22 -12.795 0.570 3.528 1.00 0.00 H new ATOM 0 HA THR A 22 -12.652 0.755 0.740 1.00 0.00 H new ATOM 0 HB THR A 22 -13.032 2.944 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.597 4.183 2.876 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.710 3.368 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.925 1.790 1.873 1.00 0.00 H new ATOM 0 HG23 THR A 22 -14.182 1.880 3.488 1.00 0.00 H new ATOM 353 N ILE A 23 -10.427 1.725 0.008 1.00 0.00 N ATOM 354 CA ILE A 23 -9.071 2.037 -0.469 1.00 0.00 C ATOM 355 C ILE A 23 -8.463 3.226 0.314 1.00 0.00 C ATOM 356 O ILE A 23 -7.245 3.302 0.458 1.00 0.00 O ATOM 357 CB ILE A 23 -9.132 2.250 -1.999 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.502 0.976 -2.791 1.00 0.00 C ATOM 359 CG2 ILE A 23 -7.829 2.821 -2.573 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.685 -0.285 -2.484 1.00 0.00 C ATOM 0 H ILE A 23 -11.143 1.803 -0.715 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.391 1.207 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.933 2.978 -2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.553 0.754 -2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.404 1.195 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.931 2.949 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.620 3.786 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.008 2.134 -2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.041 -1.109 -3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.633 -0.098 -2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.800 -0.546 -1.432 1.00 0.00 H new ATOM 372 N GLU A 24 -9.298 4.104 0.884 1.00 0.00 N ATOM 373 CA GLU A 24 -8.893 5.139 1.853 1.00 0.00 C ATOM 374 C GLU A 24 -8.417 4.518 3.182 1.00 0.00 C ATOM 375 O GLU A 24 -7.305 4.807 3.616 1.00 0.00 O ATOM 376 CB GLU A 24 -10.079 6.097 2.073 1.00 0.00 C ATOM 377 CG GLU A 24 -9.844 7.225 3.099 1.00 0.00 C ATOM 378 CD GLU A 24 -11.113 7.676 3.845 1.00 0.00 C ATOM 379 OE1 GLU A 24 -12.197 7.053 3.698 1.00 0.00 O ATOM 380 OE2 GLU A 24 -11.015 8.637 4.634 1.00 0.00 O ATOM 0 H GLU A 24 -10.298 4.118 0.682 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.045 5.695 1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.340 6.549 1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.941 5.512 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.107 6.889 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.414 8.084 2.585 1.00 0.00 H new ATOM 387 N ASN A 25 -9.206 3.616 3.789 1.00 0.00 N ATOM 388 CA ASN A 25 -8.869 2.929 5.049 1.00 0.00 C ATOM 389 C ASN A 25 -7.497 2.239 4.970 1.00 0.00 C ATOM 390 O ASN A 25 -6.667 2.361 5.869 1.00 0.00 O ATOM 391 CB ASN A 25 -9.973 1.897 5.370 1.00 0.00 C ATOM 392 CG ASN A 25 -10.608 2.137 6.723 1.00 0.00 C ATOM 393 OD1 ASN A 25 -10.248 1.535 7.723 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.593 2.996 6.787 1.00 0.00 N ATOM 0 H ASN A 25 -10.112 3.338 3.412 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.811 3.671 5.845 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.741 1.938 4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.548 0.894 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.065 3.166 7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.889 3.496 5.949 1.00 0.00 H new ATOM 401 N VAL A 26 -7.223 1.552 3.858 1.00 0.00 N ATOM 402 CA VAL A 26 -5.931 0.889 3.619 1.00 0.00 C ATOM 403 C VAL A 26 -4.786 1.888 3.403 1.00 0.00 C ATOM 404 O VAL A 26 -3.699 1.689 3.952 1.00 0.00 O ATOM 405 CB VAL A 26 -6.047 -0.094 2.446 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.762 -0.906 2.241 1.00 0.00 C ATOM 407 CG2 VAL A 26 -7.200 -1.084 2.677 1.00 0.00 C ATOM 0 H VAL A 26 -7.890 1.438 3.094 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.679 0.330 4.520 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.232 0.512 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.892 -1.587 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.933 -0.229 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.546 -1.479 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.264 -1.771 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.017 -1.648 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.137 -0.536 2.770 1.00 0.00 H new ATOM 417 N LYS A 27 -5.022 2.995 2.679 1.00 0.00 N ATOM 418 CA LYS A 27 -4.045 4.095 2.578 1.00 0.00 C ATOM 419 C LYS A 27 -3.777 4.783 3.916 1.00 0.00 C ATOM 420 O LYS A 27 -2.708 5.364 4.040 1.00 0.00 O ATOM 421 CB LYS A 27 -4.475 5.164 1.545 1.00 0.00 C ATOM 422 CG LYS A 27 -3.552 5.216 0.311 1.00 0.00 C ATOM 423 CD LYS A 27 -3.925 4.211 -0.788 1.00 0.00 C ATOM 424 CE LYS A 27 -5.234 4.594 -1.488 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.120 5.786 -2.362 1.00 0.00 N ATOM 0 H LYS A 27 -5.882 3.153 2.154 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.123 3.619 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.495 4.958 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.485 6.142 2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.577 6.222 -0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.526 5.028 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.121 4.160 -1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.023 3.216 -0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.576 3.749 -2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.998 4.781 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.884 6.455 -2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.200 6.245 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.196 5.495 -3.358 1.00 0.00 H new ATOM 439 N ALA A 28 -4.693 4.724 4.880 1.00 0.00 N ATOM 440 CA ALA A 28 -4.488 5.264 6.224 1.00 0.00 C ATOM 441 C ALA A 28 -3.696 4.289 7.120 1.00 0.00 C ATOM 442 O ALA A 28 -2.660 4.652 7.678 1.00 0.00 O ATOM 443 CB ALA A 28 -5.853 5.626 6.828 1.00 0.00 C ATOM 0 H ALA A 28 -5.609 4.295 4.749 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.880 6.166 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.712 6.030 7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.342 6.372 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.476 4.733 6.881 1.00 0.00 H new ATOM 449 N LYS A 29 -4.133 3.021 7.210 1.00 0.00 N ATOM 450 CA LYS A 29 -3.535 1.994 8.092 1.00 0.00 C ATOM 451 C LYS A 29 -2.025 1.788 7.885 1.00 0.00 C ATOM 452 O LYS A 29 -1.309 1.497 8.840 1.00 0.00 O ATOM 453 CB LYS A 29 -4.326 0.671 7.963 1.00 0.00 C ATOM 454 CG LYS A 29 -5.705 0.761 8.642 1.00 0.00 C ATOM 455 CD LYS A 29 -6.610 -0.457 8.374 1.00 0.00 C ATOM 456 CE LYS A 29 -7.992 -0.185 8.988 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.978 -1.264 8.723 1.00 0.00 N ATOM 0 H LYS A 29 -4.922 2.672 6.666 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.618 2.365 9.114 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.455 0.426 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.753 -0.141 8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.564 0.868 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.212 1.662 8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.700 -0.633 7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.173 -1.356 8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.884 -0.058 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.378 0.755 8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.936 -0.861 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.768 -1.708 7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.920 -1.979 9.476 1.00 0.00 H new ATOM 471 N ILE A 30 -1.514 2.002 6.667 1.00 0.00 N ATOM 472 CA ILE A 30 -0.071 1.884 6.370 1.00 0.00 C ATOM 473 C ILE A 30 0.792 2.927 7.109 1.00 0.00 C ATOM 474 O ILE A 30 1.934 2.622 7.463 1.00 0.00 O ATOM 475 CB ILE A 30 0.162 1.953 4.844 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.539 1.347 4.504 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.028 3.372 4.280 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.784 1.171 2.998 1.00 0.00 C ATOM 0 H ILE A 30 -2.081 2.261 5.859 1.00 0.00 H new ATOM 0 HA ILE A 30 0.252 0.912 6.743 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.623 1.368 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.319 1.986 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.630 0.377 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.203 3.354 3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.975 3.749 4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.761 4.023 4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.772 0.740 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.027 0.507 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.727 2.141 2.504 1.00 0.00 H new ATOM 490 N GLN A 31 0.283 4.142 7.365 1.00 0.00 N ATOM 491 CA GLN A 31 1.042 5.178 8.076 1.00 0.00 C ATOM 492 C GLN A 31 1.226 4.883 9.569 1.00 0.00 C ATOM 493 O GLN A 31 2.207 5.337 10.154 1.00 0.00 O ATOM 494 CB GLN A 31 0.399 6.566 7.907 1.00 0.00 C ATOM 495 CG GLN A 31 0.734 7.246 6.569 1.00 0.00 C ATOM 496 CD GLN A 31 -0.424 7.209 5.583 1.00 0.00 C ATOM 497 OE1 GLN A 31 -1.501 7.721 5.834 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.252 6.628 4.421 1.00 0.00 N ATOM 0 H GLN A 31 -0.655 4.430 7.088 1.00 0.00 H new ATOM 0 HA GLN A 31 2.030 5.174 7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.683 6.468 7.993 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.727 7.210 8.723 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.015 8.283 6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.600 6.756 6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.643 6.195 4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.013 6.609 3.743 1.00 0.00 H new ATOM 507 N ASP A 32 0.311 4.120 10.170 1.00 0.00 N ATOM 508 CA ASP A 32 0.390 3.692 11.571 1.00 0.00 C ATOM 509 C ASP A 32 1.323 2.478 11.715 1.00 0.00 C ATOM 510 O ASP A 32 2.172 2.427 12.607 1.00 0.00 O ATOM 511 CB ASP A 32 -1.033 3.371 12.053 1.00 0.00 C ATOM 512 CG ASP A 32 -1.111 2.999 13.537 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.285 3.498 14.327 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.058 2.261 13.902 1.00 0.00 O ATOM 0 H ASP A 32 -0.520 3.775 9.690 1.00 0.00 H new ATOM 0 HA ASP A 32 0.810 4.487 12.187 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.673 4.234 11.870 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.431 2.548 11.460 1.00 0.00 H new ATOM 519 N LYS A 33 1.212 1.515 10.789 1.00 0.00 N ATOM 520 CA LYS A 33 2.013 0.282 10.794 1.00 0.00 C ATOM 521 C LYS A 33 3.505 0.495 10.515 1.00 0.00 C ATOM 522 O LYS A 33 4.332 -0.012 11.266 1.00 0.00 O ATOM 523 CB LYS A 33 1.409 -0.715 9.788 1.00 0.00 C ATOM 524 CG LYS A 33 0.639 -1.874 10.433 1.00 0.00 C ATOM 525 CD LYS A 33 1.499 -2.770 11.343 1.00 0.00 C ATOM 526 CE LYS A 33 0.694 -4.038 11.642 1.00 0.00 C ATOM 527 NZ LYS A 33 1.273 -4.895 12.706 1.00 0.00 N ATOM 0 H LYS A 33 0.558 1.570 10.008 1.00 0.00 H new ATOM 0 HA LYS A 33 1.969 -0.117 11.807 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.738 -0.176 9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.211 -1.124 9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.187 -1.467 11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.201 -2.488 9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.440 -3.021 10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.749 -2.249 12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.317 -3.752 11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.609 -4.624 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.697 -5.755 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.245 -5.159 12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.283 -4.373 13.605 1.00 0.00 H new ATOM 541 N GLU A 34 3.834 1.203 9.429 1.00 0.00 N ATOM 542 CA GLU A 34 5.197 1.250 8.862 1.00 0.00 C ATOM 543 C GLU A 34 5.564 2.663 8.339 1.00 0.00 C ATOM 544 O GLU A 34 6.566 2.856 7.654 1.00 0.00 O ATOM 545 CB GLU A 34 5.302 0.158 7.774 1.00 0.00 C ATOM 546 CG GLU A 34 6.731 -0.256 7.365 1.00 0.00 C ATOM 547 CD GLU A 34 7.404 -1.316 8.265 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.818 -1.743 9.284 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.553 -1.721 7.960 1.00 0.00 O ATOM 0 H GLU A 34 3.160 1.766 8.910 1.00 0.00 H new ATOM 0 HA GLU A 34 5.930 1.045 9.642 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.775 -0.729 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.778 0.508 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.701 -0.638 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.358 0.635 7.353 1.00 0.00 H new ATOM 556 N GLY A 35 4.753 3.683 8.641 1.00 0.00 N ATOM 557 CA GLY A 35 5.103 5.086 8.396 1.00 0.00 C ATOM 558 C GLY A 35 5.310 5.464 6.924 1.00 0.00 C ATOM 559 O GLY A 35 6.229 6.234 6.632 1.00 0.00 O ATOM 0 H GLY A 35 3.833 3.558 9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.316 5.717 8.808 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.016 5.316 8.945 1.00 0.00 H new ATOM 563 N ILE A 36 4.497 4.924 6.000 1.00 0.00 N ATOM 564 CA ILE A 36 4.578 5.195 4.546 1.00 0.00 C ATOM 565 C ILE A 36 3.551 6.276 4.104 1.00 0.00 C ATOM 566 O ILE A 36 2.416 5.921 3.780 1.00 0.00 O ATOM 567 CB ILE A 36 4.377 3.861 3.774 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.205 2.665 4.304 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.620 4.033 2.269 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.727 2.856 4.280 1.00 0.00 C ATOM 0 H ILE A 36 3.749 4.274 6.243 1.00 0.00 H new ATOM 0 HA ILE A 36 5.563 5.599 4.312 1.00 0.00 H new ATOM 0 HB ILE A 36 3.332 3.610 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.898 2.458 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.957 1.783 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.470 3.078 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.922 4.768 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.642 4.375 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.212 1.962 4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.056 3.028 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.996 3.714 4.896 1.00 0.00 H new ATOM 582 N PRO A 37 3.875 7.590 4.097 1.00 0.00 N ATOM 583 CA PRO A 37 2.948 8.656 3.694 1.00 0.00 C ATOM 584 C PRO A 37 2.853 8.847 2.164 1.00 0.00 C ATOM 585 O PRO A 37 3.849 8.649 1.461 1.00 0.00 O ATOM 586 CB PRO A 37 3.490 9.926 4.355 1.00 0.00 C ATOM 587 CG PRO A 37 4.999 9.690 4.332 1.00 0.00 C ATOM 588 CD PRO A 37 5.091 8.194 4.629 1.00 0.00 C ATOM 0 HA PRO A 37 1.934 8.406 4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.211 10.823 3.802 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.113 10.048 5.371 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.437 9.942 3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.517 10.288 5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.976 7.760 4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.176 8.016 5.701 1.00 0.00 H new ATOM 596 N PRO A 38 1.704 9.329 1.640 1.00 0.00 N ATOM 597 CA PRO A 38 1.486 9.526 0.201 1.00 0.00 C ATOM 598 C PRO A 38 2.345 10.644 -0.417 1.00 0.00 C ATOM 599 O PRO A 38 2.546 10.670 -1.628 1.00 0.00 O ATOM 600 CB PRO A 38 -0.007 9.851 0.065 1.00 0.00 C ATOM 601 CG PRO A 38 -0.345 10.520 1.397 1.00 0.00 C ATOM 602 CD PRO A 38 0.519 9.740 2.384 1.00 0.00 C ATOM 0 HA PRO A 38 1.783 8.630 -0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.199 10.514 -0.778 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.601 8.951 -0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.099 11.582 1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.406 10.440 1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.790 10.359 3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.017 8.875 2.774 1.00 0.00 H new ATOM 610 N ASP A 39 2.868 11.575 0.383 1.00 0.00 N ATOM 611 CA ASP A 39 3.747 12.647 -0.106 1.00 0.00 C ATOM 612 C ASP A 39 5.132 12.259 -0.632 1.00 0.00 C ATOM 613 O ASP A 39 5.701 12.999 -1.432 1.00 0.00 O ATOM 614 CB ASP A 39 3.777 13.845 0.849 1.00 0.00 C ATOM 615 CG ASP A 39 2.593 14.760 0.562 1.00 0.00 C ATOM 616 OD1 ASP A 39 2.668 15.509 -0.444 1.00 0.00 O ATOM 617 OD2 ASP A 39 1.571 14.681 1.276 1.00 0.00 O ATOM 0 H ASP A 39 2.696 11.610 1.388 1.00 0.00 H new ATOM 0 HA ASP A 39 3.255 12.950 -1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.740 13.500 1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.711 14.394 0.730 1.00 0.00 H new ATOM 622 N GLN A 40 5.653 11.087 -0.259 1.00 0.00 N ATOM 623 CA GLN A 40 6.927 10.585 -0.789 1.00 0.00 C ATOM 624 C GLN A 40 6.752 9.548 -1.913 1.00 0.00 C ATOM 625 O GLN A 40 7.646 9.378 -2.743 1.00 0.00 O ATOM 626 CB GLN A 40 7.773 10.051 0.379 1.00 0.00 C ATOM 627 CG GLN A 40 9.157 9.554 -0.077 1.00 0.00 C ATOM 628 CD GLN A 40 10.227 9.786 0.980 1.00 0.00 C ATOM 629 OE1 GLN A 40 10.160 9.241 2.071 1.00 0.00 O ATOM 630 NE2 GLN A 40 11.212 10.604 0.691 1.00 0.00 N ATOM 0 H GLN A 40 5.209 10.462 0.414 1.00 0.00 H new ATOM 0 HA GLN A 40 7.453 11.413 -1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.900 10.838 1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.240 9.235 0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.101 8.490 -0.308 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.440 10.066 -0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.252 11.050 -0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.937 10.793 1.383 1.00 0.00 H new ATOM 639 N ASN A 41 5.628 8.829 -1.951 1.00 0.00 N ATOM 640 CA ASN A 41 5.494 7.571 -2.691 1.00 0.00 C ATOM 641 C ASN A 41 4.017 7.282 -3.062 1.00 0.00 C ATOM 642 O ASN A 41 3.119 7.949 -2.553 1.00 0.00 O ATOM 643 CB ASN A 41 6.139 6.482 -1.805 1.00 0.00 C ATOM 644 CG ASN A 41 5.408 6.303 -0.491 1.00 0.00 C ATOM 645 OD1 ASN A 41 4.311 5.780 -0.451 1.00 0.00 O ATOM 646 ND2 ASN A 41 5.996 6.698 0.614 1.00 0.00 N ATOM 0 H ASN A 41 4.776 9.106 -1.464 1.00 0.00 H new ATOM 0 HA ASN A 41 6.003 7.609 -3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.148 5.535 -2.345 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.178 6.746 -1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.533 6.567 1.513 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.916 7.136 0.574 1.00 0.00 H new ATOM 653 N ARG A 42 3.729 6.331 -3.969 1.00 0.00 N ATOM 654 CA ARG A 42 2.351 6.078 -4.441 1.00 0.00 C ATOM 655 C ARG A 42 2.124 4.607 -4.796 1.00 0.00 C ATOM 656 O ARG A 42 2.879 4.011 -5.560 1.00 0.00 O ATOM 657 CB ARG A 42 2.021 7.031 -5.611 1.00 0.00 C ATOM 658 CG ARG A 42 0.541 7.437 -5.594 1.00 0.00 C ATOM 659 CD ARG A 42 0.223 8.502 -6.653 1.00 0.00 C ATOM 660 NE ARG A 42 -1.087 9.131 -6.398 1.00 0.00 N ATOM 661 CZ ARG A 42 -1.775 9.913 -7.211 1.00 0.00 C ATOM 662 NH1 ARG A 42 -1.405 10.205 -8.422 1.00 0.00 N ATOM 663 NH2 ARG A 42 -2.888 10.447 -6.820 1.00 0.00 N ATOM 0 H ARG A 42 4.431 5.724 -4.391 1.00 0.00 H new ATOM 0 HA ARG A 42 1.658 6.289 -3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.646 7.922 -5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.257 6.545 -6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.078 6.557 -5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.281 7.819 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.002 9.264 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.224 8.046 -7.643 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.510 8.940 -5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.536 9.823 -8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.983 10.816 -8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.238 10.265 -5.880 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.414 11.050 -7.452 1.00 0.00 H new ATOM 677 N LEU A 43 1.088 4.021 -4.203 1.00 0.00 N ATOM 678 CA LEU A 43 0.786 2.587 -4.234 1.00 0.00 C ATOM 679 C LEU A 43 0.198 2.135 -5.587 1.00 0.00 C ATOM 680 O LEU A 43 -0.828 2.671 -6.016 1.00 0.00 O ATOM 681 CB LEU A 43 -0.171 2.320 -3.054 1.00 0.00 C ATOM 682 CG LEU A 43 -0.467 0.845 -2.740 1.00 0.00 C ATOM 683 CD1 LEU A 43 0.756 0.140 -2.151 1.00 0.00 C ATOM 684 CD2 LEU A 43 -1.587 0.796 -1.697 1.00 0.00 C ATOM 0 H LEU A 43 0.405 4.552 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 43 1.698 2.000 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.249 2.783 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.116 2.823 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.747 0.343 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.510 -0.901 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.579 0.182 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.052 0.636 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.816 -0.242 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.266 1.315 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.478 1.281 -2.097 1.00 0.00 H new ATOM 696 N ILE A 44 0.833 1.153 -6.235 1.00 0.00 N ATOM 697 CA ILE A 44 0.426 0.617 -7.560 1.00 0.00 C ATOM 698 C ILE A 44 -0.081 -0.836 -7.472 1.00 0.00 C ATOM 699 O ILE A 44 0.455 -1.647 -6.717 1.00 0.00 O ATOM 700 CB ILE A 44 1.596 0.732 -8.571 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.237 2.136 -8.623 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.193 0.306 -9.997 1.00 0.00 C ATOM 703 CD1 ILE A 44 1.298 3.292 -8.998 1.00 0.00 C ATOM 0 H ILE A 44 1.660 0.693 -5.856 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.408 1.223 -7.914 1.00 0.00 H new ATOM 0 HB ILE A 44 2.344 0.037 -8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.673 2.351 -7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.057 2.113 -9.341 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.050 0.407 -10.663 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.862 -0.732 -9.987 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.382 0.942 -10.351 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.857 4.228 -9.003 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.880 3.114 -9.989 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.490 3.356 -8.269 1.00 0.00 H new ATOM 715 N PHE A 45 -1.056 -1.220 -8.301 1.00 0.00 N ATOM 716 CA PHE A 45 -1.507 -2.611 -8.433 1.00 0.00 C ATOM 717 C PHE A 45 -1.743 -3.048 -9.884 1.00 0.00 C ATOM 718 O PHE A 45 -2.600 -2.494 -10.570 1.00 0.00 O ATOM 719 CB PHE A 45 -2.703 -2.859 -7.507 1.00 0.00 C ATOM 720 CG PHE A 45 -3.325 -4.238 -7.608 1.00 0.00 C ATOM 721 CD1 PHE A 45 -2.708 -5.317 -6.949 1.00 0.00 C ATOM 722 CD2 PHE A 45 -4.522 -4.449 -8.318 1.00 0.00 C ATOM 723 CE1 PHE A 45 -3.292 -6.593 -6.972 1.00 0.00 C ATOM 724 CE2 PHE A 45 -5.102 -5.731 -8.346 1.00 0.00 C ATOM 725 CZ PHE A 45 -4.497 -6.800 -7.664 1.00 0.00 C ATOM 0 H PHE A 45 -1.559 -0.570 -8.905 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.694 -3.260 -8.106 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.384 -2.697 -6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.470 -2.116 -7.724 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.778 -5.162 -6.422 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.994 -3.630 -8.840 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.816 -7.415 -6.458 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.018 -5.894 -8.895 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.957 -7.777 -7.672 1.00 0.00 H new ATOM 735 N ALA A 46 -0.947 -4.009 -10.374 1.00 0.00 N ATOM 736 CA ALA A 46 -1.011 -4.538 -11.747 1.00 0.00 C ATOM 737 C ALA A 46 -1.058 -3.450 -12.852 1.00 0.00 C ATOM 738 O ALA A 46 -1.808 -3.555 -13.819 1.00 0.00 O ATOM 739 CB ALA A 46 -2.143 -5.575 -11.830 1.00 0.00 C ATOM 0 H ALA A 46 -0.221 -4.453 -9.812 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.069 -5.041 -11.963 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.198 -5.973 -12.843 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.944 -6.388 -11.132 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.090 -5.101 -11.574 1.00 0.00 H new ATOM 745 N GLY A 47 -0.282 -2.372 -12.686 1.00 0.00 N ATOM 746 CA GLY A 47 -0.228 -1.229 -13.612 1.00 0.00 C ATOM 747 C GLY A 47 -1.302 -0.152 -13.396 1.00 0.00 C ATOM 748 O GLY A 47 -1.111 0.977 -13.842 1.00 0.00 O ATOM 0 H GLY A 47 0.341 -2.266 -11.886 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.753 -0.761 -13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.315 -1.605 -14.631 1.00 0.00 H new ATOM 752 N LYS A 48 -2.388 -0.442 -12.668 1.00 0.00 N ATOM 753 CA LYS A 48 -3.346 0.576 -12.206 1.00 0.00 C ATOM 754 C LYS A 48 -2.836 1.315 -10.963 1.00 0.00 C ATOM 755 O LYS A 48 -2.287 0.711 -10.041 1.00 0.00 O ATOM 756 CB LYS A 48 -4.735 -0.047 -11.954 1.00 0.00 C ATOM 757 CG LYS A 48 -5.468 -0.409 -13.258 1.00 0.00 C ATOM 758 CD LYS A 48 -6.881 -0.960 -12.993 1.00 0.00 C ATOM 759 CE LYS A 48 -7.615 -1.177 -14.327 1.00 0.00 C ATOM 760 NZ LYS A 48 -8.989 -1.713 -14.154 1.00 0.00 N ATOM 0 H LYS A 48 -2.629 -1.391 -12.381 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.446 1.315 -13.001 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.622 -0.944 -11.345 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.344 0.652 -11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.537 0.475 -13.892 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.887 -1.150 -13.806 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.818 -1.900 -12.445 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.441 -0.264 -12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.665 -0.231 -14.865 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.038 -1.865 -14.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.433 -1.838 -15.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.945 -2.630 -13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.553 -1.047 -13.589 1.00 0.00 H new ATOM 774 N GLN A 49 -3.080 2.624 -10.900 1.00 0.00 N ATOM 775 CA GLN A 49 -3.087 3.361 -9.630 1.00 0.00 C ATOM 776 C GLN A 49 -4.270 2.898 -8.759 1.00 0.00 C ATOM 777 O GLN A 49 -5.292 2.449 -9.279 1.00 0.00 O ATOM 778 CB GLN A 49 -3.192 4.879 -9.880 1.00 0.00 C ATOM 779 CG GLN A 49 -1.922 5.542 -10.444 1.00 0.00 C ATOM 780 CD GLN A 49 -1.571 5.130 -11.868 1.00 0.00 C ATOM 781 OE1 GLN A 49 -0.535 4.536 -12.122 1.00 0.00 O ATOM 782 NE2 GLN A 49 -2.440 5.331 -12.832 1.00 0.00 N ATOM 0 H GLN A 49 -3.277 3.201 -11.717 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.151 3.156 -9.110 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.015 5.061 -10.572 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.451 5.368 -8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.049 6.624 -10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.082 5.301 -9.792 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.311 5.825 -12.639 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.244 4.993 -13.774 1.00 0.00 H new ATOM 791 N LEU A 50 -4.155 3.058 -7.439 1.00 0.00 N ATOM 792 CA LEU A 50 -5.228 2.780 -6.483 1.00 0.00 C ATOM 793 C LEU A 50 -5.759 4.092 -5.906 1.00 0.00 C ATOM 794 O LEU A 50 -5.300 4.578 -4.867 1.00 0.00 O ATOM 795 CB LEU A 50 -4.738 1.809 -5.398 1.00 0.00 C ATOM 796 CG LEU A 50 -4.429 0.389 -5.906 1.00 0.00 C ATOM 797 CD1 LEU A 50 -4.066 -0.477 -4.704 1.00 0.00 C ATOM 798 CD2 LEU A 50 -5.622 -0.263 -6.602 1.00 0.00 C ATOM 0 H LEU A 50 -3.298 3.390 -6.997 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.059 2.289 -6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.839 2.221 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.495 1.745 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.617 0.468 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.843 -1.490 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.192 -0.059 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.904 -0.502 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.345 -1.262 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.456 -0.333 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.917 0.341 -7.460 1.00 0.00 H new ATOM 810 N GLU A 51 -6.718 4.677 -6.616 1.00 0.00 N ATOM 811 CA GLU A 51 -7.494 5.817 -6.143 1.00 0.00 C ATOM 812 C GLU A 51 -8.674 5.359 -5.267 1.00 0.00 C ATOM 813 O GLU A 51 -9.275 4.300 -5.473 1.00 0.00 O ATOM 814 CB GLU A 51 -7.950 6.687 -7.328 1.00 0.00 C ATOM 815 CG GLU A 51 -7.521 8.143 -7.072 1.00 0.00 C ATOM 816 CD GLU A 51 -7.878 9.148 -8.180 1.00 0.00 C ATOM 817 OE1 GLU A 51 -8.473 8.767 -9.218 1.00 0.00 O ATOM 818 OE2 GLU A 51 -7.519 10.336 -8.012 1.00 0.00 O ATOM 0 H GLU A 51 -6.982 4.367 -7.551 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.856 6.435 -5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.509 6.322 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.032 6.628 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.978 8.479 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.442 8.163 -6.922 1.00 0.00 H new ATOM 825 N ASP A 52 -8.934 6.168 -4.250 1.00 0.00 N ATOM 826 CA ASP A 52 -9.876 5.965 -3.157 1.00 0.00 C ATOM 827 C ASP A 52 -11.367 6.133 -3.513 1.00 0.00 C ATOM 828 O ASP A 52 -11.739 6.404 -4.648 1.00 0.00 O ATOM 829 CB ASP A 52 -9.393 6.698 -1.874 1.00 0.00 C ATOM 830 CG ASP A 52 -8.308 7.774 -2.044 1.00 0.00 C ATOM 831 OD1 ASP A 52 -7.230 7.445 -2.605 1.00 0.00 O ATOM 832 OD2 ASP A 52 -8.451 8.898 -1.534 1.00 0.00 O ATOM 0 H ASP A 52 -8.449 7.061 -4.160 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.862 4.900 -2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.260 7.164 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.018 5.948 -1.178 1.00 0.00 H new ATOM 837 N GLY A 53 -12.235 5.846 -2.539 1.00 0.00 N ATOM 838 CA GLY A 53 -13.688 5.743 -2.718 1.00 0.00 C ATOM 839 C GLY A 53 -14.191 4.322 -3.007 1.00 0.00 C ATOM 840 O GLY A 53 -15.260 3.963 -2.517 1.00 0.00 O ATOM 0 H GLY A 53 -11.940 5.674 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.180 6.114 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.988 6.396 -3.538 1.00 0.00 H new ATOM 844 N ARG A 54 -13.419 3.481 -3.717 1.00 0.00 N ATOM 845 CA ARG A 54 -13.753 2.044 -3.885 1.00 0.00 C ATOM 846 C ARG A 54 -13.312 1.199 -2.671 1.00 0.00 C ATOM 847 O ARG A 54 -12.688 1.716 -1.741 1.00 0.00 O ATOM 848 CB ARG A 54 -13.192 1.505 -5.211 1.00 0.00 C ATOM 849 CG ARG A 54 -13.705 2.254 -6.458 1.00 0.00 C ATOM 850 CD ARG A 54 -13.426 1.416 -7.712 1.00 0.00 C ATOM 851 NE ARG A 54 -13.897 2.061 -8.956 1.00 0.00 N ATOM 852 CZ ARG A 54 -14.441 1.465 -10.008 1.00 0.00 C ATOM 853 NH1 ARG A 54 -14.751 0.204 -10.061 1.00 0.00 N ATOM 854 NH2 ARG A 54 -14.690 2.157 -11.078 1.00 0.00 N ATOM 0 H ARG A 54 -12.559 3.765 -4.186 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.839 1.958 -3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.104 1.566 -5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.450 0.450 -5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.774 2.445 -6.366 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.214 3.224 -6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.354 1.232 -7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.909 0.445 -7.608 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.792 3.074 -9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.578 -0.398 -9.256 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.168 -0.184 -10.908 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.467 3.152 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.108 1.706 -11.891 1.00 0.00 H new ATOM 868 N THR A 55 -13.590 -0.107 -2.697 1.00 0.00 N ATOM 869 CA THR A 55 -13.052 -1.130 -1.768 1.00 0.00 C ATOM 870 C THR A 55 -11.961 -2.028 -2.363 1.00 0.00 C ATOM 871 O THR A 55 -11.782 -2.059 -3.583 1.00 0.00 O ATOM 872 CB THR A 55 -14.148 -1.954 -1.060 1.00 0.00 C ATOM 873 OG1 THR A 55 -14.507 -3.059 -1.855 1.00 0.00 O ATOM 874 CG2 THR A 55 -15.430 -1.181 -0.751 1.00 0.00 C ATOM 0 H THR A 55 -14.221 -0.507 -3.391 1.00 0.00 H new ATOM 0 HA THR A 55 -12.553 -0.537 -1.001 1.00 0.00 H new ATOM 0 HB THR A 55 -13.704 -2.249 -0.109 1.00 0.00 H new ATOM 0 HG1 THR A 55 -15.202 -3.578 -1.399 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.142 -1.840 -0.254 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.199 -0.339 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.865 -0.812 -1.680 1.00 0.00 H new ATOM 882 N LEU A 56 -11.247 -2.774 -1.512 1.00 0.00 N ATOM 883 CA LEU A 56 -10.248 -3.776 -1.923 1.00 0.00 C ATOM 884 C LEU A 56 -10.802 -4.781 -2.943 1.00 0.00 C ATOM 885 O LEU A 56 -10.220 -4.956 -4.018 1.00 0.00 O ATOM 886 CB LEU A 56 -9.808 -4.566 -0.681 1.00 0.00 C ATOM 887 CG LEU A 56 -8.851 -3.829 0.272 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.661 -4.669 1.531 1.00 0.00 C ATOM 889 CD2 LEU A 56 -7.477 -3.632 -0.375 1.00 0.00 C ATOM 0 H LEU A 56 -11.347 -2.699 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.421 -3.239 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.698 -4.854 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.326 -5.487 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.283 -2.856 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.984 -4.155 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.624 -4.816 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.239 -5.637 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.820 -3.109 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.047 -4.603 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.585 -3.043 -1.286 1.00 0.00 H new ATOM 901 N SER A 57 -11.931 -5.421 -2.615 1.00 0.00 N ATOM 902 CA SER A 57 -12.493 -6.492 -3.448 1.00 0.00 C ATOM 903 C SER A 57 -12.858 -6.025 -4.860 1.00 0.00 C ATOM 904 O SER A 57 -12.837 -6.839 -5.781 1.00 0.00 O ATOM 905 CB SER A 57 -13.740 -7.085 -2.786 1.00 0.00 C ATOM 906 OG SER A 57 -14.276 -8.136 -3.571 1.00 0.00 O ATOM 0 H SER A 57 -12.475 -5.215 -1.777 1.00 0.00 H new ATOM 0 HA SER A 57 -11.712 -7.247 -3.538 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.487 -7.459 -1.794 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.491 -6.306 -2.652 1.00 0.00 H new ATOM 0 HG SER A 57 -15.071 -8.502 -3.129 1.00 0.00 H new ATOM 912 N ASP A 58 -13.209 -4.749 -5.050 1.00 0.00 N ATOM 913 CA ASP A 58 -13.675 -4.269 -6.365 1.00 0.00 C ATOM 914 C ASP A 58 -12.492 -3.987 -7.315 1.00 0.00 C ATOM 915 O ASP A 58 -12.624 -4.153 -8.528 1.00 0.00 O ATOM 916 CB ASP A 58 -14.539 -3.014 -6.199 1.00 0.00 C ATOM 917 CG ASP A 58 -15.265 -2.675 -7.506 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.981 -3.551 -8.055 1.00 0.00 O ATOM 919 OD2 ASP A 58 -15.121 -1.528 -7.974 1.00 0.00 O ATOM 0 H ASP A 58 -13.182 -4.034 -4.323 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.280 -5.058 -6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.267 -3.171 -5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.914 -2.174 -5.897 1.00 0.00 H new ATOM 924 N TYR A 59 -11.315 -3.647 -6.766 1.00 0.00 N ATOM 925 CA TYR A 59 -10.030 -3.678 -7.471 1.00 0.00 C ATOM 926 C TYR A 59 -9.429 -5.072 -7.770 1.00 0.00 C ATOM 927 O TYR A 59 -8.355 -5.163 -8.357 1.00 0.00 O ATOM 928 CB TYR A 59 -9.020 -2.705 -6.826 1.00 0.00 C ATOM 929 CG TYR A 59 -9.133 -1.231 -7.189 1.00 0.00 C ATOM 930 CD1 TYR A 59 -8.477 -0.739 -8.340 1.00 0.00 C ATOM 931 CD2 TYR A 59 -9.750 -0.329 -6.306 1.00 0.00 C ATOM 932 CE1 TYR A 59 -8.409 0.648 -8.585 1.00 0.00 C ATOM 933 CE2 TYR A 59 -9.673 1.062 -6.546 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.993 1.554 -7.672 1.00 0.00 C ATOM 935 OH TYR A 59 -8.874 2.896 -7.849 1.00 0.00 O ATOM 0 H TYR A 59 -11.232 -3.336 -5.798 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.266 -3.323 -8.474 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.113 -2.793 -5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.016 -3.040 -7.088 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.025 -1.430 -9.036 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.284 -0.699 -5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.911 1.017 -9.469 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.140 1.751 -5.858 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.022 3.353 -6.995 1.00 0.00 H new ATOM 945 N ASN A 60 -10.111 -6.155 -7.362 1.00 0.00 N ATOM 946 CA ASN A 60 -9.615 -7.544 -7.335 1.00 0.00 C ATOM 947 C ASN A 60 -8.388 -7.752 -6.412 1.00 0.00 C ATOM 948 O ASN A 60 -7.515 -8.576 -6.688 1.00 0.00 O ATOM 949 CB ASN A 60 -9.451 -8.105 -8.765 1.00 0.00 C ATOM 950 CG ASN A 60 -9.194 -9.607 -8.788 1.00 0.00 C ATOM 951 OD1 ASN A 60 -9.769 -10.375 -8.028 1.00 0.00 O ATOM 952 ND2 ASN A 60 -8.361 -10.097 -9.677 1.00 0.00 N ATOM 0 H ASN A 60 -11.071 -6.084 -7.025 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.384 -8.152 -6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.351 -7.887 -9.341 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.625 -7.593 -9.258 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.202 -11.103 -9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.873 -9.471 -10.318 1.00 0.00 H new ATOM 959 N ILE A 61 -8.311 -7.008 -5.304 1.00 0.00 N ATOM 960 CA ILE A 61 -7.283 -7.191 -4.269 1.00 0.00 C ATOM 961 C ILE A 61 -7.814 -8.195 -3.235 1.00 0.00 C ATOM 962 O ILE A 61 -8.841 -7.945 -2.605 1.00 0.00 O ATOM 963 CB ILE A 61 -6.875 -5.842 -3.629 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.700 -4.720 -4.683 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.593 -6.055 -2.799 1.00 0.00 C ATOM 966 CD1 ILE A 61 -6.387 -3.334 -4.110 1.00 0.00 C ATOM 0 H ILE A 61 -8.966 -6.254 -5.096 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.372 -7.590 -4.715 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.678 -5.505 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.898 -5.004 -5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.613 -4.654 -5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.294 -5.111 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.783 -6.792 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.794 -6.412 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.283 -2.618 -4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.198 -3.020 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.457 -3.376 -3.543 1.00 0.00 H new ATOM 978 N GLN A 62 -7.134 -9.334 -3.078 1.00 0.00 N ATOM 979 CA GLN A 62 -7.595 -10.492 -2.298 1.00 0.00 C ATOM 980 C GLN A 62 -6.682 -10.774 -1.089 1.00 0.00 C ATOM 981 O GLN A 62 -5.633 -10.144 -0.921 1.00 0.00 O ATOM 982 CB GLN A 62 -7.685 -11.728 -3.223 1.00 0.00 C ATOM 983 CG GLN A 62 -8.492 -11.526 -4.523 1.00 0.00 C ATOM 984 CD GLN A 62 -9.950 -11.137 -4.299 1.00 0.00 C ATOM 985 OE1 GLN A 62 -10.513 -11.300 -3.229 1.00 0.00 O ATOM 986 NE2 GLN A 62 -10.632 -10.644 -5.308 1.00 0.00 N ATOM 0 H GLN A 62 -6.219 -9.483 -3.502 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.583 -10.265 -1.897 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.674 -12.037 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.132 -12.549 -2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.009 -10.753 -5.121 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.459 -12.447 -5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.177 -10.501 -6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.616 -10.404 -5.190 1.00 0.00 H new ATOM 995 N LYS A 63 -7.052 -11.744 -0.233 1.00 0.00 N ATOM 996 CA LYS A 63 -6.161 -12.195 0.848 1.00 0.00 C ATOM 997 C LYS A 63 -4.857 -12.768 0.276 1.00 0.00 C ATOM 998 O LYS A 63 -4.875 -13.597 -0.627 1.00 0.00 O ATOM 999 CB LYS A 63 -6.850 -13.149 1.848 1.00 0.00 C ATOM 1000 CG LYS A 63 -7.498 -14.457 1.328 1.00 0.00 C ATOM 1001 CD LYS A 63 -7.087 -15.715 2.136 1.00 0.00 C ATOM 1002 CE LYS A 63 -8.215 -16.719 2.455 1.00 0.00 C ATOM 1003 NZ LYS A 63 -9.077 -16.283 3.586 1.00 0.00 N ATOM 0 H LYS A 63 -7.951 -12.225 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.902 -11.316 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.110 -13.426 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.626 -12.581 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.583 -14.353 1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.222 -14.600 0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.309 -16.239 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.643 -15.388 3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.832 -16.858 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.775 -17.688 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.816 -16.996 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.498 -16.176 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.521 -15.372 3.353 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.739 -12.317 0.838 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.361 -12.634 0.447 1.00 0.00 C ATOM 1019 C GLU A 64 -1.932 -12.131 -0.957 1.00 0.00 C ATOM 1020 O GLU A 64 -0.905 -12.565 -1.481 1.00 0.00 O ATOM 1021 CB GLU A 64 -2.023 -14.111 0.755 1.00 0.00 C ATOM 1022 CG GLU A 64 -2.268 -14.479 2.239 1.00 0.00 C ATOM 1023 CD GLU A 64 -1.226 -15.441 2.834 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -0.009 -15.222 2.624 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -1.617 -16.390 3.561 1.00 0.00 O ATOM 0 H GLU A 64 -3.769 -11.677 1.632 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.715 -12.031 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.627 -14.759 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.979 -14.301 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.280 -13.564 2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.256 -14.930 2.331 1.00 0.00 H new ATOM 1032 N SER A 65 -2.668 -11.182 -1.561 1.00 0.00 N ATOM 1033 CA SER A 65 -2.281 -10.517 -2.820 1.00 0.00 C ATOM 1034 C SER A 65 -1.109 -9.527 -2.681 1.00 0.00 C ATOM 1035 O SER A 65 -0.991 -8.804 -1.687 1.00 0.00 O ATOM 1036 CB SER A 65 -3.464 -9.762 -3.445 1.00 0.00 C ATOM 1037 OG SER A 65 -4.484 -10.636 -3.893 1.00 0.00 O ATOM 0 H SER A 65 -3.557 -10.851 -1.186 1.00 0.00 H new ATOM 0 HA SER A 65 -1.956 -11.335 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.878 -9.070 -2.712 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.108 -9.163 -4.283 1.00 0.00 H new ATOM 0 HG SER A 65 -4.839 -10.313 -4.747 1.00 0.00 H new ATOM 1043 N THR A 66 -0.282 -9.448 -3.728 1.00 0.00 N ATOM 1044 CA THR A 66 0.817 -8.480 -3.908 1.00 0.00 C ATOM 1045 C THR A 66 0.459 -7.129 -4.537 1.00 0.00 C ATOM 1046 O THR A 66 -0.200 -7.086 -5.572 1.00 0.00 O ATOM 1047 CB THR A 66 2.018 -9.083 -4.669 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.093 -10.485 -4.533 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.360 -8.503 -4.227 1.00 0.00 C ATOM 0 H THR A 66 -0.361 -10.089 -4.517 1.00 0.00 H new ATOM 0 HA THR A 66 1.083 -8.262 -2.874 1.00 0.00 H new ATOM 0 HB THR A 66 1.835 -8.818 -5.710 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.866 -10.821 -5.032 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.163 -8.967 -4.799 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.366 -7.427 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.510 -8.700 -3.165 1.00 0.00 H new ATOM 1057 N LEU A 67 0.973 -6.031 -3.982 1.00 0.00 N ATOM 1058 CA LEU A 67 0.940 -4.675 -4.541 1.00 0.00 C ATOM 1059 C LEU A 67 2.370 -4.173 -4.808 1.00 0.00 C ATOM 1060 O LEU A 67 3.287 -4.525 -4.075 1.00 0.00 O ATOM 1061 CB LEU A 67 0.208 -3.727 -3.577 1.00 0.00 C ATOM 1062 CG LEU A 67 -1.268 -4.099 -3.322 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.481 -4.939 -2.060 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -2.083 -2.824 -3.141 1.00 0.00 C ATOM 0 H LEU A 67 1.450 -6.063 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 67 0.400 -4.696 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.738 -3.716 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.252 -2.714 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.581 -4.686 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.542 -5.162 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.921 -5.871 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.131 -4.383 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.127 -3.082 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.696 -2.262 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.010 -2.215 -4.042 1.00 0.00 H new ATOM 1076 N HIS A 68 2.565 -3.326 -5.817 1.00 0.00 N ATOM 1077 CA HIS A 68 3.803 -2.578 -6.037 1.00 0.00 C ATOM 1078 C HIS A 68 3.711 -1.215 -5.422 1.00 0.00 C ATOM 1079 O HIS A 68 2.654 -0.689 -5.070 1.00 0.00 O ATOM 1080 CB HIS A 68 4.163 -2.468 -7.529 1.00 0.00 C ATOM 1081 CG HIS A 68 4.701 -3.724 -8.172 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.138 -4.991 -8.163 1.00 0.00 N ATOM 1083 CD2 HIS A 68 5.815 -3.807 -8.964 1.00 0.00 C ATOM 1084 CE1 HIS A 68 4.913 -5.801 -8.899 1.00 0.00 C ATOM 1085 NE2 HIS A 68 5.953 -5.120 -9.416 1.00 0.00 N ATOM 0 H HIS A 68 1.851 -3.136 -6.520 1.00 0.00 H new ATOM 0 HA HIS A 68 4.603 -3.136 -5.551 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.273 -2.156 -8.076 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.903 -1.677 -7.647 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.479 -2.989 -9.200 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.728 -6.854 -9.055 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.691 -5.489 -10.016 1.00 0.00 H new ATOM 1093 N LEU A 69 4.885 -0.634 -5.347 1.00 0.00 N ATOM 1094 CA LEU A 69 5.019 0.732 -5.024 1.00 0.00 C ATOM 1095 C LEU A 69 5.822 1.527 -6.056 1.00 0.00 C ATOM 1096 O LEU A 69 6.692 0.976 -6.727 1.00 0.00 O ATOM 1097 CB LEU A 69 5.685 0.875 -3.664 1.00 0.00 C ATOM 1098 CG LEU A 69 5.886 2.244 -2.998 1.00 0.00 C ATOM 1099 CD1 LEU A 69 4.540 2.902 -2.742 1.00 0.00 C ATOM 1100 CD2 LEU A 69 6.618 2.089 -1.666 1.00 0.00 C ATOM 0 H LEU A 69 5.769 -1.115 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 69 4.010 1.145 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.109 0.267 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.671 0.418 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 69 6.481 2.864 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.693 3.872 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.016 3.038 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.944 2.268 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.752 3.069 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.032 1.455 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.593 1.633 -1.838 1.00 0.00 H new ATOM 1112 N VAL A 70 5.625 2.846 -6.062 1.00 0.00 N ATOM 1113 CA VAL A 70 6.672 3.782 -6.483 1.00 0.00 C ATOM 1114 C VAL A 70 6.916 4.890 -5.499 1.00 0.00 C ATOM 1115 O VAL A 70 6.119 5.152 -4.613 1.00 0.00 O ATOM 1116 CB VAL A 70 6.325 4.576 -7.771 1.00 0.00 C ATOM 1117 CG1 VAL A 70 6.915 3.830 -8.938 1.00 0.00 C ATOM 1118 CG2 VAL A 70 4.838 4.864 -7.996 1.00 0.00 C ATOM 0 H VAL A 70 4.752 3.291 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 70 7.523 3.112 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 70 6.757 5.570 -7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.689 4.362 -9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.996 3.759 -8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.488 2.828 -8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.712 5.423 -8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.291 3.923 -8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.451 5.451 -7.163 1.00 0.00 H new ATOM 1128 N LEU A 71 7.967 5.651 -5.787 1.00 0.00 N ATOM 1129 CA LEU A 71 7.962 7.058 -5.466 1.00 0.00 C ATOM 1130 C LEU A 71 6.861 7.961 -6.028 1.00 0.00 C ATOM 1131 O LEU A 71 6.167 7.672 -6.997 1.00 0.00 O ATOM 1132 CB LEU A 71 9.292 7.729 -5.845 1.00 0.00 C ATOM 1133 CG LEU A 71 10.507 7.242 -5.028 1.00 0.00 C ATOM 1134 CD1 LEU A 71 11.798 7.761 -5.658 1.00 0.00 C ATOM 1135 CD2 LEU A 71 10.463 7.744 -3.581 1.00 0.00 C ATOM 0 H LEU A 71 8.819 5.315 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 71 7.771 6.992 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.486 7.551 -6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.191 8.807 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 71 10.475 6.152 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.652 7.414 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.879 7.389 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.785 8.851 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.337 7.378 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.463 8.834 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.558 7.378 -3.096 1.00 0.00 H new ATOM 1147 N ARG A 72 6.825 9.160 -5.442 1.00 0.00 N ATOM 1148 CA ARG A 72 6.579 10.379 -6.192 1.00 0.00 C ATOM 1149 C ARG A 72 7.775 10.890 -7.012 1.00 0.00 C ATOM 1150 O ARG A 72 7.790 10.708 -8.222 1.00 0.00 O ATOM 1151 CB ARG A 72 6.017 11.507 -5.303 1.00 0.00 C ATOM 1152 CG ARG A 72 4.596 11.268 -4.774 1.00 0.00 C ATOM 1153 CD ARG A 72 4.095 12.523 -4.039 1.00 0.00 C ATOM 1154 NE ARG A 72 3.240 13.407 -4.855 1.00 0.00 N ATOM 1155 CZ ARG A 72 2.657 14.504 -4.394 1.00 0.00 C ATOM 1156 NH1 ARG A 72 2.941 15.020 -3.237 1.00 0.00 N ATOM 1157 NH2 ARG A 72 1.742 15.129 -5.072 1.00 0.00 N ATOM 0 H ARG A 72 6.965 9.306 -4.442 1.00 0.00 H new ATOM 0 HA ARG A 72 5.821 10.087 -6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.686 11.648 -4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.025 12.436 -5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.926 11.028 -5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.589 10.413 -4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.537 12.213 -3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.956 13.092 -3.689 1.00 0.00 H new ATOM 0 HE ARG A 72 3.089 13.159 -5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.640 14.579 -2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.465 15.867 -2.925 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.455 14.777 -5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.311 15.971 -4.691 1.00 0.00 H new ATOM 1171 N LEU A 73 8.726 11.583 -6.367 1.00 0.00 N ATOM 1172 CA LEU A 73 9.783 12.354 -7.049 1.00 0.00 C ATOM 1173 C LEU A 73 11.054 12.547 -6.199 1.00 0.00 C ATOM 1174 O LEU A 73 12.121 12.080 -6.582 1.00 0.00 O ATOM 1175 CB LEU A 73 9.185 13.701 -7.523 1.00 0.00 C ATOM 1176 CG LEU A 73 10.169 14.667 -8.217 1.00 0.00 C ATOM 1177 CD1 LEU A 73 10.709 14.099 -9.530 1.00 0.00 C ATOM 1178 CD2 LEU A 73 9.463 15.988 -8.523 1.00 0.00 C ATOM 0 H LEU A 73 8.786 11.626 -5.350 1.00 0.00 H new ATOM 0 HA LEU A 73 10.121 11.778 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.366 13.491 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.754 14.209 -6.660 1.00 0.00 H new ATOM 0 HG LEU A 73 11.005 14.816 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.397 14.815 -9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.235 13.165 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.881 13.912 -10.213 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.160 16.668 -9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.614 15.803 -9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.111 16.436 -7.594 1.00 0.00 H new ATOM 1190 N ARG A 74 10.969 13.243 -5.054 1.00 0.00 N ATOM 1191 CA ARG A 74 12.136 13.527 -4.200 1.00 0.00 C ATOM 1192 C ARG A 74 12.521 12.287 -3.376 1.00 0.00 C ATOM 1193 O ARG A 74 11.771 11.864 -2.496 1.00 0.00 O ATOM 1194 CB ARG A 74 11.845 14.753 -3.309 1.00 0.00 C ATOM 1195 CG ARG A 74 13.067 15.290 -2.531 1.00 0.00 C ATOM 1196 CD ARG A 74 13.689 16.563 -3.136 1.00 0.00 C ATOM 1197 NE ARG A 74 14.456 16.321 -4.379 1.00 0.00 N ATOM 1198 CZ ARG A 74 15.762 16.482 -4.548 1.00 0.00 C ATOM 1199 NH1 ARG A 74 16.587 16.719 -3.574 1.00 0.00 N ATOM 1200 NH2 ARG A 74 16.300 16.409 -5.731 1.00 0.00 N ATOM 0 H ARG A 74 10.094 13.624 -4.694 1.00 0.00 H new ATOM 0 HA ARG A 74 12.994 13.768 -4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.449 15.553 -3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.064 14.490 -2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 74 12.767 15.498 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.828 14.511 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 74 12.895 17.280 -3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.347 17.021 -2.397 1.00 0.00 H new ATOM 0 HE ARG A 74 13.926 15.997 -5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.240 16.790 -2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.582 16.834 -3.765 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.716 16.225 -6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.306 16.535 -5.842 1.00 0.00 H new ATOM 1214 N GLY A 75 13.692 11.719 -3.656 1.00 0.00 N ATOM 1215 CA GLY A 75 14.294 10.661 -2.842 1.00 0.00 C ATOM 1216 C GLY A 75 15.005 11.241 -1.615 1.00 0.00 C ATOM 1217 O GLY A 75 15.928 12.033 -1.779 1.00 0.00 O ATOM 0 H GLY A 75 14.257 11.982 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.522 9.962 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.005 10.096 -3.444 1.00 0.00 H new ATOM 1221 N GLY A 76 14.578 10.849 -0.411 1.00 0.00 N ATOM 1222 CA GLY A 76 15.171 11.280 0.866 1.00 0.00 C ATOM 1223 C GLY A 76 14.298 10.961 2.066 1.00 0.00 C ATOM 1224 O GLY A 76 14.659 10.042 2.834 1.00 0.00 O ATOM 1225 OXT GLY A 76 13.281 11.659 2.239 1.00 0.00 O ATOM 0 H GLY A 76 13.793 10.209 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.140 10.797 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.352 12.354 0.831 1.00 0.00 H new TER 1229 GLY A 76