USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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= -0.386 X(o=-0.49,f=-0.71) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.105 X(o=-0.49,f=-0.34) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0289 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.153 K(o=-0.12,f=-0.66) USER MOD Set 3.1: A 7 THR OG1 : rot 119:sc= 1.64 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.101 (180deg=-0.418) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.188 X(o=0.19,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.15) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 14 THR OG1 : rot -74:sc= 1.15 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.09) USER MOD Single : A 31 GLN : amide:sc= -0.647! K(o=-0.65!,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.14 K(o=1.1,f=-0.087) USER MOD Single : A 41 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.33) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.156 K(o=0.16,f=-3.6!) USER MOD Single : A 55 THR OG1 : rot -55:sc= 1.3 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -96:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0776 X(o=-0.078,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.006 -4.621 0.190 1.00 0.00 N ATOM 2 CA MET A 1 13.888 -3.921 0.835 1.00 0.00 C ATOM 3 C MET A 1 12.580 -4.632 0.541 1.00 0.00 C ATOM 4 O MET A 1 12.179 -4.737 -0.617 1.00 0.00 O ATOM 5 CB MET A 1 13.800 -2.441 0.411 1.00 0.00 C ATOM 6 CG MET A 1 12.465 -1.788 0.811 1.00 0.00 C ATOM 7 SD MET A 1 12.276 -0.037 0.402 1.00 0.00 S ATOM 8 CE MET A 1 13.382 0.736 1.596 1.00 0.00 C ATOM 0 H1 MET A 1 15.895 -4.123 0.400 1.00 0.00 H new ATOM 0 H2 MET A 1 15.061 -5.595 0.551 1.00 0.00 H new ATOM 0 H3 MET A 1 14.855 -4.642 -0.839 1.00 0.00 H new ATOM 0 HA MET A 1 14.074 -3.938 1.909 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.621 -1.887 0.866 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.926 -2.368 -0.669 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.657 -2.340 0.332 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.336 -1.904 1.887 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.235 1.816 1.582 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.166 0.353 2.593 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.415 0.507 1.336 1.00 0.00 H new ATOM 18 N GLN A 2 11.929 -5.172 1.568 1.00 0.00 N ATOM 19 CA GLN A 2 10.632 -5.809 1.417 1.00 0.00 C ATOM 20 C GLN A 2 9.682 -5.044 2.335 1.00 0.00 C ATOM 21 O GLN A 2 10.132 -4.368 3.255 1.00 0.00 O ATOM 22 CB GLN A 2 10.671 -7.323 1.679 1.00 0.00 C ATOM 23 CG GLN A 2 11.078 -7.717 3.103 1.00 0.00 C ATOM 24 CD GLN A 2 10.792 -9.192 3.351 1.00 0.00 C ATOM 25 OE1 GLN A 2 11.396 -10.072 2.743 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.857 -9.519 4.232 1.00 0.00 N ATOM 0 H GLN A 2 12.287 -5.178 2.523 1.00 0.00 H new ATOM 0 HA GLN A 2 10.284 -5.755 0.386 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.686 -7.740 1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.367 -7.782 0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.139 -7.516 3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.533 -7.109 3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.355 -8.789 4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.640 -10.501 4.404 1.00 0.00 H new ATOM 35 N ILE A 3 8.386 -5.068 2.079 1.00 0.00 N ATOM 36 CA ILE A 3 7.387 -4.409 2.908 1.00 0.00 C ATOM 37 C ILE A 3 6.264 -5.410 3.141 1.00 0.00 C ATOM 38 O ILE A 3 6.197 -6.446 2.469 1.00 0.00 O ATOM 39 CB ILE A 3 6.909 -3.079 2.283 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.260 -3.293 0.896 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.082 -2.082 2.227 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.494 -2.073 0.379 1.00 0.00 C ATOM 0 H ILE A 3 7.989 -5.554 1.275 1.00 0.00 H new ATOM 0 HA ILE A 3 7.810 -4.117 3.869 1.00 0.00 H new ATOM 0 HB ILE A 3 6.129 -2.657 2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.037 -3.554 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.579 -4.142 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.742 -1.145 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.450 -1.896 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.885 -2.499 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.067 -2.299 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.694 -1.824 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.175 -1.226 0.291 1.00 0.00 H new ATOM 54 N PHE A 4 5.354 -5.084 4.052 1.00 0.00 N ATOM 55 CA PHE A 4 4.216 -5.918 4.373 1.00 0.00 C ATOM 56 C PHE A 4 2.971 -5.064 4.227 1.00 0.00 C ATOM 57 O PHE A 4 3.007 -3.862 4.494 1.00 0.00 O ATOM 58 CB PHE A 4 4.326 -6.467 5.795 1.00 0.00 C ATOM 59 CG PHE A 4 5.514 -7.369 6.041 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.366 -8.764 5.933 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.754 -6.820 6.421 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.457 -9.607 6.205 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.843 -7.665 6.689 1.00 0.00 C ATOM 64 CZ PHE A 4 7.692 -9.058 6.592 1.00 0.00 C ATOM 0 H PHE A 4 5.392 -4.220 4.592 1.00 0.00 H new ATOM 0 HA PHE A 4 4.175 -6.775 3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.376 -5.628 6.489 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.415 -7.019 6.027 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.416 -9.186 5.642 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.867 -5.749 6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.347 -10.678 6.117 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.797 -7.244 6.970 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.525 -9.708 6.815 1.00 0.00 H new ATOM 74 N VAL A 5 1.851 -5.677 3.862 1.00 0.00 N ATOM 75 CA VAL A 5 0.592 -4.973 3.684 1.00 0.00 C ATOM 76 C VAL A 5 -0.529 -5.823 4.282 1.00 0.00 C ATOM 77 O VAL A 5 -0.701 -6.980 3.902 1.00 0.00 O ATOM 78 CB VAL A 5 0.350 -4.650 2.189 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.794 -3.636 2.067 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.577 -4.081 1.449 1.00 0.00 C ATOM 0 H VAL A 5 1.793 -6.679 3.681 1.00 0.00 H new ATOM 0 HA VAL A 5 0.619 -4.015 4.204 1.00 0.00 H new ATOM 0 HB VAL A 5 0.111 -5.603 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.966 -3.407 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.701 -4.057 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.529 -2.722 2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.316 -3.885 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.891 -3.153 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.393 -4.803 1.488 1.00 0.00 H new ATOM 90 N LYS A 6 -1.293 -5.243 5.206 1.00 0.00 N ATOM 91 CA LYS A 6 -2.425 -5.873 5.869 1.00 0.00 C ATOM 92 C LYS A 6 -3.643 -5.489 5.039 1.00 0.00 C ATOM 93 O LYS A 6 -3.903 -4.293 4.860 1.00 0.00 O ATOM 94 CB LYS A 6 -2.523 -5.395 7.330 1.00 0.00 C ATOM 95 CG LYS A 6 -3.741 -5.969 8.078 1.00 0.00 C ATOM 96 CD LYS A 6 -3.678 -7.480 8.341 1.00 0.00 C ATOM 97 CE LYS A 6 -2.655 -7.924 9.386 1.00 0.00 C ATOM 98 NZ LYS A 6 -3.095 -7.622 10.761 1.00 0.00 N ATOM 0 H LYS A 6 -1.132 -4.287 5.522 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.332 -6.958 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.613 -5.678 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.575 -4.306 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.841 -5.452 9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.640 -5.751 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.665 -7.817 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.455 -7.986 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.481 -8.996 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.703 -7.428 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.370 -7.941 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.236 -6.597 10.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.990 -8.116 10.956 1.00 0.00 H new ATOM 112 N THR A 7 -4.335 -6.462 4.454 1.00 0.00 N ATOM 113 CA THR A 7 -5.503 -6.180 3.642 1.00 0.00 C ATOM 114 C THR A 7 -6.665 -5.750 4.540 1.00 0.00 C ATOM 115 O THR A 7 -6.649 -5.950 5.754 1.00 0.00 O ATOM 116 CB THR A 7 -5.892 -7.415 2.801 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.314 -8.460 3.645 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.750 -7.933 1.920 1.00 0.00 C ATOM 0 H THR A 7 -4.103 -7.452 4.530 1.00 0.00 H new ATOM 0 HA THR A 7 -5.268 -5.367 2.955 1.00 0.00 H new ATOM 0 HB THR A 7 -6.698 -7.091 2.143 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.246 -8.686 3.444 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.091 -8.801 1.356 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.440 -7.150 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.906 -8.217 2.548 1.00 0.00 H new ATOM 126 N LEU A 8 -7.713 -5.206 3.919 1.00 0.00 N ATOM 127 CA LEU A 8 -8.918 -4.762 4.608 1.00 0.00 C ATOM 128 C LEU A 8 -9.700 -5.942 5.204 1.00 0.00 C ATOM 129 O LEU A 8 -10.612 -5.717 5.993 1.00 0.00 O ATOM 130 CB LEU A 8 -9.821 -3.969 3.641 1.00 0.00 C ATOM 131 CG LEU A 8 -10.547 -4.798 2.550 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.578 -3.912 1.857 1.00 0.00 C ATOM 133 CD2 LEU A 8 -9.603 -5.371 1.480 1.00 0.00 C ATOM 0 H LEU A 8 -7.745 -5.061 2.910 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.609 -4.116 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.573 -3.442 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.213 -3.211 3.148 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.010 -5.644 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.094 -4.487 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.302 -3.555 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.076 -3.060 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.181 -5.939 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.085 -4.554 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.872 -6.027 1.953 1.00 0.00 H new ATOM 145 N THR A 9 -9.359 -7.172 4.821 1.00 0.00 N ATOM 146 CA THR A 9 -9.981 -8.406 5.267 1.00 0.00 C ATOM 147 C THR A 9 -9.199 -9.072 6.402 1.00 0.00 C ATOM 148 O THR A 9 -9.699 -10.014 7.014 1.00 0.00 O ATOM 149 CB THR A 9 -10.088 -9.348 4.063 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.840 -9.505 3.401 1.00 0.00 O ATOM 151 CG2 THR A 9 -11.073 -8.842 3.014 1.00 0.00 C ATOM 0 H THR A 9 -8.602 -7.337 4.157 1.00 0.00 H new ATOM 0 HA THR A 9 -10.969 -8.179 5.666 1.00 0.00 H new ATOM 0 HB THR A 9 -10.430 -10.295 4.480 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.948 -10.113 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.112 -9.545 2.182 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.064 -8.751 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.748 -7.867 2.650 1.00 0.00 H new ATOM 159 N GLY A 10 -7.965 -8.629 6.664 1.00 0.00 N ATOM 160 CA GLY A 10 -7.110 -9.160 7.708 1.00 0.00 C ATOM 161 C GLY A 10 -6.020 -10.098 7.196 1.00 0.00 C ATOM 162 O GLY A 10 -5.345 -10.716 8.022 1.00 0.00 O ATOM 0 H GLY A 10 -7.530 -7.871 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.642 -8.330 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.725 -9.694 8.432 1.00 0.00 H new ATOM 166 N LYS A 11 -5.835 -10.259 5.878 1.00 0.00 N ATOM 167 CA LYS A 11 -4.771 -11.128 5.368 1.00 0.00 C ATOM 168 C LYS A 11 -3.498 -10.282 5.373 1.00 0.00 C ATOM 169 O LYS A 11 -3.577 -9.056 5.295 1.00 0.00 O ATOM 170 CB LYS A 11 -5.108 -11.603 3.933 1.00 0.00 C ATOM 171 CG LYS A 11 -5.243 -13.129 3.805 1.00 0.00 C ATOM 172 CD LYS A 11 -3.923 -13.921 3.769 1.00 0.00 C ATOM 173 CE LYS A 11 -3.065 -13.697 2.512 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.733 -14.121 1.262 1.00 0.00 N ATOM 0 H LYS A 11 -6.399 -9.807 5.158 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.653 -12.022 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.040 -11.136 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.330 -11.257 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.840 -13.493 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.801 -13.350 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.333 -13.655 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.152 -14.984 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.810 -12.640 2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.128 -14.244 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.109 -13.928 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.938 -15.140 1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.622 -13.594 1.148 1.00 0.00 H new ATOM 188 N THR A 12 -2.333 -10.910 5.277 1.00 0.00 N ATOM 189 CA THR A 12 -1.063 -10.195 5.268 1.00 0.00 C ATOM 190 C THR A 12 -0.311 -10.600 4.009 1.00 0.00 C ATOM 191 O THR A 12 -0.283 -11.785 3.664 1.00 0.00 O ATOM 192 CB THR A 12 -0.319 -10.444 6.588 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.206 -10.182 7.659 1.00 0.00 O ATOM 194 CG2 THR A 12 0.876 -9.508 6.753 1.00 0.00 C ATOM 0 H THR A 12 -2.242 -11.923 5.204 1.00 0.00 H new ATOM 0 HA THR A 12 -1.189 -9.113 5.223 1.00 0.00 H new ATOM 0 HB THR A 12 0.034 -11.475 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.746 -10.338 8.510 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.374 -9.717 7.700 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.576 -9.664 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.532 -8.474 6.745 1.00 0.00 H new ATOM 202 N ILE A 13 0.215 -9.607 3.300 1.00 0.00 N ATOM 203 CA ILE A 13 0.970 -9.708 2.061 1.00 0.00 C ATOM 204 C ILE A 13 2.396 -9.214 2.327 1.00 0.00 C ATOM 205 O ILE A 13 2.604 -8.385 3.215 1.00 0.00 O ATOM 206 CB ILE A 13 0.273 -8.828 0.986 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.271 -8.964 0.949 1.00 0.00 C ATOM 208 CG2 ILE A 13 0.862 -9.028 -0.423 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.804 -10.357 0.590 1.00 0.00 C ATOM 0 H ILE A 13 0.116 -8.638 3.602 1.00 0.00 H new ATOM 0 HA ILE A 13 1.010 -10.737 1.703 1.00 0.00 H new ATOM 0 HB ILE A 13 0.488 -7.809 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.666 -8.684 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.664 -8.247 0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.336 -8.388 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.920 -8.768 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.747 -10.070 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.894 -10.341 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.448 -10.639 -0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.450 -11.082 1.323 1.00 0.00 H new ATOM 221 N THR A 14 3.349 -9.647 1.505 1.00 0.00 N ATOM 222 CA THR A 14 4.764 -9.305 1.519 1.00 0.00 C ATOM 223 C THR A 14 5.144 -8.986 0.066 1.00 0.00 C ATOM 224 O THR A 14 4.780 -9.740 -0.843 1.00 0.00 O ATOM 225 CB THR A 14 5.588 -10.446 2.130 1.00 0.00 C ATOM 226 OG1 THR A 14 5.160 -10.677 3.458 1.00 0.00 O ATOM 227 CG2 THR A 14 7.084 -10.126 2.181 1.00 0.00 C ATOM 0 H THR A 14 3.131 -10.299 0.752 1.00 0.00 H new ATOM 0 HA THR A 14 4.975 -8.439 2.146 1.00 0.00 H new ATOM 0 HB THR A 14 5.436 -11.319 1.495 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.487 -9.957 4.037 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.621 -10.966 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.453 -9.950 1.171 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.245 -9.234 2.787 1.00 0.00 H new ATOM 235 N LEU A 15 5.812 -7.848 -0.160 1.00 0.00 N ATOM 236 CA LEU A 15 6.250 -7.347 -1.466 1.00 0.00 C ATOM 237 C LEU A 15 7.694 -6.860 -1.404 1.00 0.00 C ATOM 238 O LEU A 15 8.154 -6.481 -0.329 1.00 0.00 O ATOM 239 CB LEU A 15 5.395 -6.139 -1.893 1.00 0.00 C ATOM 240 CG LEU A 15 3.898 -6.397 -2.120 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.234 -5.073 -2.508 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.663 -7.440 -3.214 1.00 0.00 C ATOM 0 H LEU A 15 6.074 -7.222 0.601 1.00 0.00 H new ATOM 0 HA LEU A 15 6.150 -8.170 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.495 -5.366 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.814 -5.735 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 15 3.464 -6.790 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.169 -5.235 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.370 -4.349 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.690 -4.692 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.592 -7.595 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.096 -7.089 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.133 -8.381 -2.927 1.00 0.00 H new ATOM 254 N GLU A 16 8.413 -6.918 -2.521 1.00 0.00 N ATOM 255 CA GLU A 16 9.791 -6.472 -2.702 1.00 0.00 C ATOM 256 C GLU A 16 9.669 -5.135 -3.434 1.00 0.00 C ATOM 257 O GLU A 16 9.043 -5.064 -4.496 1.00 0.00 O ATOM 258 CB GLU A 16 10.593 -7.507 -3.500 1.00 0.00 C ATOM 259 CG GLU A 16 12.022 -7.025 -3.807 1.00 0.00 C ATOM 260 CD GLU A 16 12.899 -8.147 -4.371 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.444 -8.896 -5.275 1.00 0.00 O ATOM 262 OE2 GLU A 16 14.033 -8.336 -3.875 1.00 0.00 O ATOM 0 H GLU A 16 8.023 -7.303 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 16 10.329 -6.358 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.639 -8.440 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.076 -7.723 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.981 -6.203 -4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.476 -6.634 -2.897 1.00 0.00 H new ATOM 269 N VAL A 17 10.130 -4.061 -2.799 1.00 0.00 N ATOM 270 CA VAL A 17 10.083 -2.700 -3.327 1.00 0.00 C ATOM 271 C VAL A 17 11.432 -2.007 -3.096 1.00 0.00 C ATOM 272 O VAL A 17 12.417 -2.651 -2.726 1.00 0.00 O ATOM 273 CB VAL A 17 8.875 -1.951 -2.711 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.531 -2.642 -3.002 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.013 -1.800 -1.192 1.00 0.00 C ATOM 0 H VAL A 17 10.559 -4.115 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 17 9.927 -2.704 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 17 8.879 -0.970 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.722 -2.072 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.375 -2.695 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.543 -3.650 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.146 -1.270 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.074 -2.786 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.917 -1.236 -0.963 1.00 0.00 H new ATOM 285 N GLU A 18 11.497 -0.695 -3.310 1.00 0.00 N ATOM 286 CA GLU A 18 12.681 0.130 -3.123 1.00 0.00 C ATOM 287 C GLU A 18 12.249 1.555 -2.742 1.00 0.00 C ATOM 288 O GLU A 18 11.090 1.911 -2.969 1.00 0.00 O ATOM 289 CB GLU A 18 13.528 0.093 -4.406 1.00 0.00 C ATOM 290 CG GLU A 18 12.830 0.660 -5.651 1.00 0.00 C ATOM 291 CD GLU A 18 13.645 0.354 -6.902 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.567 -0.804 -7.378 1.00 0.00 O ATOM 293 OE2 GLU A 18 14.387 1.244 -7.371 1.00 0.00 O ATOM 0 H GLU A 18 10.691 -0.159 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 18 13.299 -0.252 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.447 0.653 -4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.816 -0.939 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.833 0.230 -5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.704 1.738 -5.546 1.00 0.00 H new ATOM 300 N PRO A 19 13.136 2.412 -2.199 1.00 0.00 N ATOM 301 CA PRO A 19 12.789 3.787 -1.841 1.00 0.00 C ATOM 302 C PRO A 19 12.245 4.600 -3.019 1.00 0.00 C ATOM 303 O PRO A 19 11.546 5.586 -2.789 1.00 0.00 O ATOM 304 CB PRO A 19 14.074 4.441 -1.332 1.00 0.00 C ATOM 305 CG PRO A 19 14.888 3.254 -0.847 1.00 0.00 C ATOM 306 CD PRO A 19 14.525 2.157 -1.852 1.00 0.00 C ATOM 0 HA PRO A 19 11.996 3.767 -1.093 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.589 4.989 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.876 5.151 -0.529 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.957 3.468 -0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.623 2.972 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.166 2.200 -2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.648 1.166 -1.416 1.00 0.00 H new ATOM 314 N SER A 20 12.484 4.156 -4.253 1.00 0.00 N ATOM 315 CA SER A 20 12.057 4.845 -5.452 1.00 0.00 C ATOM 316 C SER A 20 11.012 4.033 -6.225 1.00 0.00 C ATOM 317 O SER A 20 10.926 4.140 -7.448 1.00 0.00 O ATOM 318 CB SER A 20 13.308 5.065 -6.312 1.00 0.00 C ATOM 319 OG SER A 20 14.380 5.640 -5.582 1.00 0.00 O ATOM 0 H SER A 20 12.990 3.291 -4.441 1.00 0.00 H new ATOM 0 HA SER A 20 11.586 5.793 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.629 4.111 -6.730 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.057 5.713 -7.152 1.00 0.00 H new ATOM 0 HG SER A 20 15.152 5.758 -6.173 1.00 0.00 H new ATOM 325 N ASP A 21 10.192 3.252 -5.518 1.00 0.00 N ATOM 326 CA ASP A 21 9.101 2.473 -6.109 1.00 0.00 C ATOM 327 C ASP A 21 7.899 3.405 -5.928 1.00 0.00 C ATOM 328 O ASP A 21 7.729 3.953 -4.827 1.00 0.00 O ATOM 329 CB ASP A 21 8.894 1.144 -5.361 1.00 0.00 C ATOM 330 CG ASP A 21 8.556 -0.020 -6.288 1.00 0.00 C ATOM 331 OD1 ASP A 21 9.178 -1.094 -6.113 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.707 0.126 -7.189 1.00 0.00 O ATOM 0 H ASP A 21 10.268 3.141 -4.507 1.00 0.00 H new ATOM 0 HA ASP A 21 9.281 2.188 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.798 0.904 -4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.092 1.265 -4.633 1.00 0.00 H new ATOM 337 N THR A 22 7.103 3.671 -6.967 1.00 0.00 N ATOM 338 CA THR A 22 5.968 4.573 -6.793 1.00 0.00 C ATOM 339 C THR A 22 4.886 3.886 -5.960 1.00 0.00 C ATOM 340 O THR A 22 4.754 2.657 -5.958 1.00 0.00 O ATOM 341 CB THR A 22 5.406 4.941 -8.187 1.00 0.00 C ATOM 342 OG1 THR A 22 5.238 3.781 -8.992 1.00 0.00 O ATOM 343 CG2 THR A 22 6.315 5.919 -8.931 1.00 0.00 C ATOM 0 H THR A 22 7.218 3.289 -7.906 1.00 0.00 H new ATOM 0 HA THR A 22 6.288 5.477 -6.275 1.00 0.00 H new ATOM 0 HB THR A 22 4.441 5.417 -8.012 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.880 4.039 -9.867 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.882 6.150 -9.904 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.414 6.837 -8.351 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.298 5.469 -9.069 1.00 0.00 H new ATOM 351 N ILE A 23 4.029 4.679 -5.313 1.00 0.00 N ATOM 352 CA ILE A 23 2.920 4.126 -4.542 1.00 0.00 C ATOM 353 C ILE A 23 1.980 3.427 -5.532 1.00 0.00 C ATOM 354 O ILE A 23 1.299 2.477 -5.166 1.00 0.00 O ATOM 355 CB ILE A 23 2.248 5.209 -3.686 1.00 0.00 C ATOM 356 CG1 ILE A 23 3.205 5.812 -2.631 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.971 4.691 -2.996 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.899 4.809 -1.699 1.00 0.00 C ATOM 0 H ILE A 23 4.083 5.698 -5.309 1.00 0.00 H new ATOM 0 HA ILE A 23 3.262 3.387 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 23 1.971 6.001 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.972 6.385 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.641 6.516 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.529 5.490 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.257 4.363 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.223 3.853 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.544 5.345 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.147 4.251 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.499 4.118 -2.291 1.00 0.00 H new ATOM 370 N GLU A 24 1.939 3.912 -6.777 1.00 0.00 N ATOM 371 CA GLU A 24 1.150 3.384 -7.875 1.00 0.00 C ATOM 372 C GLU A 24 1.550 1.923 -8.081 1.00 0.00 C ATOM 373 O GLU A 24 0.687 1.048 -8.100 1.00 0.00 O ATOM 374 CB GLU A 24 1.446 4.268 -9.093 1.00 0.00 C ATOM 375 CG GLU A 24 0.920 3.749 -10.433 1.00 0.00 C ATOM 376 CD GLU A 24 1.090 4.835 -11.492 1.00 0.00 C ATOM 377 OE1 GLU A 24 0.256 5.776 -11.508 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.104 4.830 -12.220 1.00 0.00 O ATOM 0 H GLU A 24 2.487 4.727 -7.052 1.00 0.00 H new ATOM 0 HA GLU A 24 0.076 3.401 -7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.020 5.255 -8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.526 4.396 -9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.462 2.850 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.131 3.473 -10.343 1.00 0.00 H new ATOM 385 N ASN A 25 2.859 1.661 -8.169 1.00 0.00 N ATOM 386 CA ASN A 25 3.415 0.328 -8.342 1.00 0.00 C ATOM 387 C ASN A 25 3.065 -0.527 -7.133 1.00 0.00 C ATOM 388 O ASN A 25 2.543 -1.627 -7.294 1.00 0.00 O ATOM 389 CB ASN A 25 4.929 0.371 -8.581 1.00 0.00 C ATOM 390 CG ASN A 25 5.260 0.329 -10.064 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.714 -0.499 -10.789 1.00 0.00 O ATOM 392 ND2 ASN A 25 6.167 1.152 -10.552 1.00 0.00 N ATOM 0 H ASN A 25 3.571 2.390 -8.120 1.00 0.00 H new ATOM 0 HA ASN A 25 2.974 -0.121 -9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.342 1.278 -8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.402 -0.472 -8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.421 1.104 -11.539 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.615 1.836 -9.943 1.00 0.00 H new ATOM 399 N VAL A 26 3.346 -0.060 -5.915 1.00 0.00 N ATOM 400 CA VAL A 26 3.024 -0.814 -4.701 1.00 0.00 C ATOM 401 C VAL A 26 1.524 -1.148 -4.653 1.00 0.00 C ATOM 402 O VAL A 26 1.147 -2.259 -4.269 1.00 0.00 O ATOM 403 CB VAL A 26 3.493 -0.049 -3.449 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.179 -0.839 -2.168 1.00 0.00 C ATOM 405 CG2 VAL A 26 5.006 0.202 -3.506 1.00 0.00 C ATOM 0 H VAL A 26 3.797 0.839 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 26 3.563 -1.762 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 26 2.958 0.901 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.521 -0.275 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.104 -1.001 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.690 -1.802 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.319 0.744 -2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.531 -0.752 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.244 0.793 -4.391 1.00 0.00 H new ATOM 415 N LYS A 27 0.658 -0.222 -5.075 1.00 0.00 N ATOM 416 CA LYS A 27 -0.783 -0.425 -5.072 1.00 0.00 C ATOM 417 C LYS A 27 -1.180 -1.364 -6.212 1.00 0.00 C ATOM 418 O LYS A 27 -2.268 -1.920 -6.140 1.00 0.00 O ATOM 419 CB LYS A 27 -1.501 0.935 -5.151 1.00 0.00 C ATOM 420 CG LYS A 27 -3.011 0.806 -4.885 1.00 0.00 C ATOM 421 CD LYS A 27 -3.741 2.149 -4.787 1.00 0.00 C ATOM 422 CE LYS A 27 -3.703 2.873 -6.135 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.546 4.081 -6.142 1.00 0.00 N ATOM 0 H LYS A 27 0.944 0.691 -5.429 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.091 -0.901 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.062 1.619 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.343 1.372 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.461 0.216 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.161 0.254 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.775 1.987 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.276 2.769 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.675 3.148 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.037 2.194 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.489 4.538 -7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.532 3.817 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.212 4.742 -5.411 1.00 0.00 H new ATOM 437 N ALA A 28 -0.342 -1.580 -7.225 1.00 0.00 N ATOM 438 CA ALA A 28 -0.610 -2.483 -8.333 1.00 0.00 C ATOM 439 C ALA A 28 -0.192 -3.894 -7.911 1.00 0.00 C ATOM 440 O ALA A 28 -0.983 -4.830 -8.005 1.00 0.00 O ATOM 441 CB ALA A 28 0.150 -2.006 -9.580 1.00 0.00 C ATOM 0 H ALA A 28 0.564 -1.118 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.671 -2.494 -8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.051 -2.683 -10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.179 -1.001 -9.844 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.220 -1.995 -9.372 1.00 0.00 H new ATOM 447 N LYS A 29 1.007 -4.044 -7.334 1.00 0.00 N ATOM 448 CA LYS A 29 1.555 -5.321 -6.871 1.00 0.00 C ATOM 449 C LYS A 29 0.560 -6.080 -5.984 1.00 0.00 C ATOM 450 O LYS A 29 0.402 -7.296 -6.141 1.00 0.00 O ATOM 451 CB LYS A 29 2.878 -5.078 -6.125 1.00 0.00 C ATOM 452 CG LYS A 29 4.087 -4.767 -7.028 1.00 0.00 C ATOM 453 CD LYS A 29 5.309 -4.370 -6.179 1.00 0.00 C ATOM 454 CE LYS A 29 6.548 -4.081 -7.043 1.00 0.00 C ATOM 455 NZ LYS A 29 7.611 -5.103 -6.919 1.00 0.00 N ATOM 0 H LYS A 29 1.638 -3.259 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 29 1.745 -5.946 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.739 -4.249 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.108 -5.960 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.328 -5.639 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.836 -3.959 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.067 -3.487 -5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.537 -5.172 -5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.244 -4.011 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.956 -3.109 -6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.361 -4.910 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.011 -5.073 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.209 -6.045 -7.097 1.00 0.00 H new ATOM 469 N ILE A 30 -0.122 -5.402 -5.059 1.00 0.00 N ATOM 470 CA ILE A 30 -1.095 -6.049 -4.179 1.00 0.00 C ATOM 471 C ILE A 30 -2.285 -6.654 -4.951 1.00 0.00 C ATOM 472 O ILE A 30 -2.857 -7.641 -4.488 1.00 0.00 O ATOM 473 CB ILE A 30 -1.587 -5.084 -3.075 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.202 -3.804 -3.679 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.451 -4.750 -2.094 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.808 -2.836 -2.665 1.00 0.00 C ATOM 0 H ILE A 30 -0.017 -4.400 -4.900 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.573 -6.878 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.374 -5.590 -2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.430 -3.280 -4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.976 -4.092 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.821 -4.070 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.094 -5.667 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.369 -4.276 -2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.214 -1.969 -3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.607 -3.336 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.037 -2.511 -1.967 1.00 0.00 H new ATOM 488 N GLN A 31 -2.650 -6.122 -6.116 1.00 0.00 N ATOM 489 CA GLN A 31 -3.774 -6.611 -6.921 1.00 0.00 C ATOM 490 C GLN A 31 -3.384 -7.884 -7.664 1.00 0.00 C ATOM 491 O GLN A 31 -4.239 -8.651 -8.108 1.00 0.00 O ATOM 492 CB GLN A 31 -4.236 -5.538 -7.918 1.00 0.00 C ATOM 493 CG GLN A 31 -4.273 -4.138 -7.289 1.00 0.00 C ATOM 494 CD GLN A 31 -4.800 -3.067 -8.226 1.00 0.00 C ATOM 495 OE1 GLN A 31 -5.575 -3.324 -9.139 1.00 0.00 O ATOM 496 NE2 GLN A 31 -4.355 -1.840 -8.042 1.00 0.00 N ATOM 0 H GLN A 31 -2.168 -5.327 -6.536 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.601 -6.837 -6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.566 -5.531 -8.777 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.228 -5.793 -8.290 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.896 -4.166 -6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.268 -3.866 -6.968 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.710 -1.641 -7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.656 -1.090 -8.664 1.00 0.00 H new ATOM 505 N ASP A 32 -2.086 -8.122 -7.841 1.00 0.00 N ATOM 506 CA ASP A 32 -1.577 -9.318 -8.501 1.00 0.00 C ATOM 507 C ASP A 32 -1.526 -10.469 -7.481 1.00 0.00 C ATOM 508 O ASP A 32 -1.959 -11.582 -7.795 1.00 0.00 O ATOM 509 CB ASP A 32 -0.210 -9.028 -9.130 1.00 0.00 C ATOM 510 CG ASP A 32 0.641 -10.289 -9.261 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.232 -11.236 -9.962 1.00 0.00 O ATOM 512 OD2 ASP A 32 1.712 -10.329 -8.612 1.00 0.00 O ATOM 0 H ASP A 32 -1.354 -7.484 -7.527 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.240 -9.619 -9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.352 -8.583 -10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.320 -8.295 -8.522 1.00 0.00 H new ATOM 517 N LYS A 33 -1.159 -10.200 -6.218 1.00 0.00 N ATOM 518 CA LYS A 33 -1.068 -11.263 -5.206 1.00 0.00 C ATOM 519 C LYS A 33 -2.395 -11.560 -4.506 1.00 0.00 C ATOM 520 O LYS A 33 -2.525 -12.652 -3.951 1.00 0.00 O ATOM 521 CB LYS A 33 0.017 -10.945 -4.163 1.00 0.00 C ATOM 522 CG LYS A 33 1.439 -11.019 -4.740 1.00 0.00 C ATOM 523 CD LYS A 33 2.474 -10.982 -3.608 1.00 0.00 C ATOM 524 CE LYS A 33 3.927 -10.893 -4.099 1.00 0.00 C ATOM 525 NZ LYS A 33 4.368 -12.090 -4.842 1.00 0.00 N ATOM 0 H LYS A 33 -0.923 -9.268 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.793 -12.164 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.155 -9.947 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.069 -11.644 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.557 -11.934 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.606 -10.186 -5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.265 -10.127 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.361 -11.877 -2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.034 -10.017 -4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.584 -10.744 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.355 -11.966 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.297 -12.926 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.763 -12.222 -5.678 1.00 0.00 H new ATOM 539 N GLU A 34 -3.361 -10.642 -4.501 1.00 0.00 N ATOM 540 CA GLU A 34 -4.674 -10.835 -3.887 1.00 0.00 C ATOM 541 C GLU A 34 -5.689 -10.186 -4.832 1.00 0.00 C ATOM 542 O GLU A 34 -5.356 -9.198 -5.488 1.00 0.00 O ATOM 543 CB GLU A 34 -4.702 -10.215 -2.478 1.00 0.00 C ATOM 544 CG GLU A 34 -5.745 -10.849 -1.543 1.00 0.00 C ATOM 545 CD GLU A 34 -5.204 -12.081 -0.801 1.00 0.00 C ATOM 546 OE1 GLU A 34 -5.582 -12.299 0.373 1.00 0.00 O ATOM 547 OE2 GLU A 34 -4.356 -12.823 -1.356 1.00 0.00 O ATOM 0 H GLU A 34 -3.250 -9.724 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.913 -11.890 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.715 -10.315 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.906 -9.148 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.074 -10.107 -0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.622 -11.136 -2.124 1.00 0.00 H new ATOM 554 N GLY A 35 -6.928 -10.672 -4.878 1.00 0.00 N ATOM 555 CA GLY A 35 -7.946 -10.137 -5.766 1.00 0.00 C ATOM 556 C GLY A 35 -8.603 -8.879 -5.227 1.00 0.00 C ATOM 557 O GLY A 35 -9.662 -8.955 -4.600 1.00 0.00 O ATOM 0 H GLY A 35 -7.250 -11.448 -4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.497 -9.919 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.710 -10.896 -5.933 1.00 0.00 H new ATOM 561 N ILE A 36 -7.996 -7.721 -5.470 1.00 0.00 N ATOM 562 CA ILE A 36 -8.507 -6.423 -5.046 1.00 0.00 C ATOM 563 C ILE A 36 -8.252 -5.427 -6.193 1.00 0.00 C ATOM 564 O ILE A 36 -7.106 -5.029 -6.379 1.00 0.00 O ATOM 565 CB ILE A 36 -7.861 -5.972 -3.709 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.362 -6.345 -3.584 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.652 -6.558 -2.523 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.639 -5.629 -2.444 1.00 0.00 C ATOM 0 H ILE A 36 -7.114 -7.659 -5.979 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.577 -6.477 -4.846 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.906 -4.883 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.277 -7.422 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.860 -6.112 -4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.194 -6.238 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.682 -6.204 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.640 -7.646 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.595 -5.942 -2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.691 -4.551 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.114 -5.882 -1.496 1.00 0.00 H new ATOM 580 N PRO A 37 -9.280 -4.996 -6.947 1.00 0.00 N ATOM 581 CA PRO A 37 -9.140 -4.035 -8.037 1.00 0.00 C ATOM 582 C PRO A 37 -8.719 -2.649 -7.511 1.00 0.00 C ATOM 583 O PRO A 37 -8.717 -2.416 -6.295 1.00 0.00 O ATOM 584 CB PRO A 37 -10.521 -3.950 -8.710 1.00 0.00 C ATOM 585 CG PRO A 37 -11.289 -5.164 -8.203 1.00 0.00 C ATOM 586 CD PRO A 37 -10.667 -5.407 -6.833 1.00 0.00 C ATOM 0 HA PRO A 37 -8.366 -4.353 -8.736 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.031 -3.023 -8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.431 -3.967 -9.796 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.359 -4.966 -8.133 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.167 -6.024 -8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.182 -4.833 -6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.741 -6.457 -6.551 1.00 0.00 H new ATOM 594 N PRO A 38 -8.355 -1.694 -8.385 1.00 0.00 N ATOM 595 CA PRO A 38 -7.980 -0.347 -7.962 1.00 0.00 C ATOM 596 C PRO A 38 -9.290 0.442 -7.791 1.00 0.00 C ATOM 597 O PRO A 38 -9.474 1.531 -8.346 1.00 0.00 O ATOM 598 CB PRO A 38 -7.125 0.152 -9.131 1.00 0.00 C ATOM 599 CG PRO A 38 -7.784 -0.476 -10.356 1.00 0.00 C ATOM 600 CD PRO A 38 -8.310 -1.812 -9.837 1.00 0.00 C ATOM 0 HA PRO A 38 -7.432 -0.264 -7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.124 1.240 -9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.086 -0.162 -9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.589 0.149 -10.742 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.070 -0.615 -11.168 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.300 -2.024 -10.241 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.659 -2.632 -10.141 1.00 0.00 H new ATOM 608 N ASP A 39 -10.186 -0.081 -6.959 1.00 0.00 N ATOM 609 CA ASP A 39 -11.516 0.409 -6.641 1.00 0.00 C ATOM 610 C ASP A 39 -11.775 0.059 -5.186 1.00 0.00 C ATOM 611 O ASP A 39 -11.493 -1.067 -4.767 1.00 0.00 O ATOM 612 CB ASP A 39 -12.500 -0.327 -7.551 1.00 0.00 C ATOM 613 CG ASP A 39 -13.957 0.058 -7.332 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.237 1.127 -6.752 1.00 0.00 O ATOM 615 OD2 ASP A 39 -14.838 -0.731 -7.757 1.00 0.00 O ATOM 0 H ASP A 39 -9.976 -0.937 -6.445 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.620 1.484 -6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.235 -0.129 -8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.391 -1.400 -7.393 1.00 0.00 H new ATOM 620 N GLN A 40 -12.291 1.029 -4.428 1.00 0.00 N ATOM 621 CA GLN A 40 -12.580 0.942 -2.999 1.00 0.00 C ATOM 622 C GLN A 40 -11.362 0.323 -2.296 1.00 0.00 C ATOM 623 O GLN A 40 -11.486 -0.607 -1.501 1.00 0.00 O ATOM 624 CB GLN A 40 -13.911 0.212 -2.723 1.00 0.00 C ATOM 625 CG GLN A 40 -15.130 0.727 -3.508 1.00 0.00 C ATOM 626 CD GLN A 40 -15.217 2.252 -3.586 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.563 2.934 -2.620 1.00 0.00 O ATOM 628 NE2 GLN A 40 -14.888 2.843 -4.720 1.00 0.00 N ATOM 0 H GLN A 40 -12.530 1.942 -4.816 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.736 1.937 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.777 -0.846 -2.949 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.130 0.286 -1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.096 0.323 -4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -16.038 0.344 -3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.601 2.283 -5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.921 3.860 -4.793 1.00 0.00 H new ATOM 637 N ASN A 41 -10.168 0.859 -2.587 1.00 0.00 N ATOM 638 CA ASN A 41 -8.899 0.407 -2.036 1.00 0.00 C ATOM 639 C ASN A 41 -7.884 1.552 -2.045 1.00 0.00 C ATOM 640 O ASN A 41 -7.734 2.226 -3.066 1.00 0.00 O ATOM 641 CB ASN A 41 -8.382 -0.744 -2.912 1.00 0.00 C ATOM 642 CG ASN A 41 -7.226 -1.478 -2.257 1.00 0.00 C ATOM 643 OD1 ASN A 41 -6.069 -1.098 -2.381 1.00 0.00 O ATOM 644 ND2 ASN A 41 -7.506 -2.554 -1.542 1.00 0.00 N ATOM 0 H ASN A 41 -10.064 1.642 -3.232 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.037 0.074 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.194 -1.445 -3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.062 -0.351 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.755 -3.075 -1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.473 -2.864 -1.444 1.00 0.00 H new ATOM 651 N ARG A 42 -7.148 1.764 -0.952 1.00 0.00 N ATOM 652 CA ARG A 42 -6.132 2.811 -0.809 1.00 0.00 C ATOM 653 C ARG A 42 -5.101 2.305 0.186 1.00 0.00 C ATOM 654 O ARG A 42 -5.471 1.679 1.177 1.00 0.00 O ATOM 655 CB ARG A 42 -6.787 4.109 -0.307 1.00 0.00 C ATOM 656 CG ARG A 42 -5.809 5.268 -0.042 1.00 0.00 C ATOM 657 CD ARG A 42 -6.551 6.467 0.561 1.00 0.00 C ATOM 658 NE ARG A 42 -7.392 7.163 -0.426 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.057 8.194 -1.210 1.00 0.00 C ATOM 660 NH1 ARG A 42 -5.834 8.705 -1.160 1.00 0.00 N ATOM 661 NH2 ARG A 42 -7.954 8.701 -2.042 1.00 0.00 N ATOM 0 H ARG A 42 -7.246 1.192 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.656 3.031 -1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.523 4.435 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.329 3.893 0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.022 4.940 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.324 5.563 -0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.174 6.126 1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.826 7.168 0.975 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.347 6.817 -0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.143 8.312 -0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.585 9.491 -1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.893 8.305 -2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.706 9.487 -2.643 1.00 0.00 H new ATOM 675 N LEU A 43 -3.827 2.597 -0.071 1.00 0.00 N ATOM 676 CA LEU A 43 -2.699 2.192 0.757 1.00 0.00 C ATOM 677 C LEU A 43 -2.466 3.260 1.832 1.00 0.00 C ATOM 678 O LEU A 43 -2.535 4.452 1.542 1.00 0.00 O ATOM 679 CB LEU A 43 -1.484 2.047 -0.176 1.00 0.00 C ATOM 680 CG LEU A 43 -0.258 1.363 0.451 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.470 -0.140 0.675 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.936 1.574 -0.488 1.00 0.00 C ATOM 0 H LEU A 43 -3.546 3.139 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.879 1.245 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.787 1.479 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.191 3.038 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.082 1.808 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.427 -0.572 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.316 -0.292 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.671 -0.625 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.820 1.097 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.716 1.133 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.121 2.642 -0.607 1.00 0.00 H new ATOM 694 N ILE A 44 -2.175 2.846 3.064 1.00 0.00 N ATOM 695 CA ILE A 44 -1.931 3.705 4.226 1.00 0.00 C ATOM 696 C ILE A 44 -0.694 3.152 4.943 1.00 0.00 C ATOM 697 O ILE A 44 -0.479 1.942 4.921 1.00 0.00 O ATOM 698 CB ILE A 44 -3.165 3.651 5.172 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.544 3.781 4.488 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.085 4.683 6.313 1.00 0.00 C ATOM 701 CD1 ILE A 44 -4.860 5.151 3.874 1.00 0.00 C ATOM 0 H ILE A 44 -2.099 1.855 3.292 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.770 4.741 3.928 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.104 2.638 5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.611 3.028 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.315 3.546 5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.972 4.600 6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.196 4.493 6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.031 5.687 5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.852 5.127 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.834 5.913 4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.119 5.387 3.110 1.00 0.00 H new ATOM 713 N PHE A 45 0.097 3.989 5.613 1.00 0.00 N ATOM 714 CA PHE A 45 1.287 3.572 6.360 1.00 0.00 C ATOM 715 C PHE A 45 1.266 4.348 7.666 1.00 0.00 C ATOM 716 O PHE A 45 1.202 5.573 7.619 1.00 0.00 O ATOM 717 CB PHE A 45 2.573 3.854 5.576 1.00 0.00 C ATOM 718 CG PHE A 45 3.837 3.716 6.407 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.185 2.479 6.986 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.639 4.846 6.654 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.326 2.380 7.803 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.791 4.740 7.449 1.00 0.00 C ATOM 723 CZ PHE A 45 6.135 3.508 8.027 1.00 0.00 C ATOM 0 H PHE A 45 -0.073 4.994 5.654 1.00 0.00 H new ATOM 0 HA PHE A 45 1.272 2.497 6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.629 3.170 4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.525 4.864 5.168 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.575 1.607 6.802 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.366 5.801 6.229 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.581 1.435 8.259 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.413 5.607 7.616 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.019 3.427 8.642 1.00 0.00 H new ATOM 733 N ALA A 46 1.277 3.655 8.813 1.00 0.00 N ATOM 734 CA ALA A 46 1.247 4.270 10.144 1.00 0.00 C ATOM 735 C ALA A 46 0.130 5.326 10.253 1.00 0.00 C ATOM 736 O ALA A 46 0.303 6.380 10.858 1.00 0.00 O ATOM 737 CB ALA A 46 2.640 4.817 10.490 1.00 0.00 C ATOM 0 H ALA A 46 1.307 2.636 8.841 1.00 0.00 H new ATOM 0 HA ALA A 46 1.001 3.513 10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.616 5.274 11.479 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.363 4.001 10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.931 5.565 9.752 1.00 0.00 H new ATOM 743 N GLY A 47 -1.017 5.075 9.614 1.00 0.00 N ATOM 744 CA GLY A 47 -2.162 5.979 9.614 1.00 0.00 C ATOM 745 C GLY A 47 -2.056 7.120 8.597 1.00 0.00 C ATOM 746 O GLY A 47 -3.053 7.805 8.369 1.00 0.00 O ATOM 0 H GLY A 47 -1.174 4.223 9.075 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.065 5.405 9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.276 6.404 10.611 1.00 0.00 H new ATOM 750 N LYS A 48 -0.887 7.393 8.009 1.00 0.00 N ATOM 751 CA LYS A 48 -0.716 8.448 7.013 1.00 0.00 C ATOM 752 C LYS A 48 -1.227 7.874 5.695 1.00 0.00 C ATOM 753 O LYS A 48 -0.841 6.771 5.297 1.00 0.00 O ATOM 754 CB LYS A 48 0.744 8.922 6.953 1.00 0.00 C ATOM 755 CG LYS A 48 0.963 9.986 5.860 1.00 0.00 C ATOM 756 CD LYS A 48 1.967 11.073 6.268 1.00 0.00 C ATOM 757 CE LYS A 48 1.300 12.126 7.170 1.00 0.00 C ATOM 758 NZ LYS A 48 2.205 13.251 7.483 1.00 0.00 N ATOM 0 H LYS A 48 -0.028 6.883 8.214 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.282 9.345 7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.032 9.333 7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.394 8.068 6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.315 9.497 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.008 10.454 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.808 10.619 6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.370 11.554 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.406 12.508 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.977 11.654 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.712 13.934 8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.047 12.892 7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.494 13.720 6.601 1.00 0.00 H new ATOM 772 N GLN A 49 -2.107 8.616 5.037 1.00 0.00 N ATOM 773 CA GLN A 49 -2.740 8.247 3.787 1.00 0.00 C ATOM 774 C GLN A 49 -1.721 8.375 2.660 1.00 0.00 C ATOM 775 O GLN A 49 -0.981 9.355 2.602 1.00 0.00 O ATOM 776 CB GLN A 49 -3.937 9.181 3.514 1.00 0.00 C ATOM 777 CG GLN A 49 -5.088 9.124 4.540 1.00 0.00 C ATOM 778 CD GLN A 49 -4.790 9.744 5.910 1.00 0.00 C ATOM 779 OE1 GLN A 49 -3.888 10.561 6.071 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.510 9.346 6.943 1.00 0.00 N ATOM 0 H GLN A 49 -2.409 9.529 5.377 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.098 7.219 3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.569 10.206 3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.342 8.942 2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.955 9.629 4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.367 8.081 4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.260 8.667 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.316 9.717 7.873 1.00 0.00 H new ATOM 789 N LEU A 50 -1.690 7.381 1.768 1.00 0.00 N ATOM 790 CA LEU A 50 -0.783 7.326 0.631 1.00 0.00 C ATOM 791 C LEU A 50 -1.598 7.181 -0.650 1.00 0.00 C ATOM 792 O LEU A 50 -2.743 6.717 -0.634 1.00 0.00 O ATOM 793 CB LEU A 50 0.194 6.137 0.722 1.00 0.00 C ATOM 794 CG LEU A 50 0.821 5.826 2.093 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.658 4.554 1.949 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.718 6.940 2.623 1.00 0.00 C ATOM 0 H LEU A 50 -2.313 6.575 1.823 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.201 8.247 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.333 5.244 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.005 6.315 0.016 1.00 0.00 H new ATOM 0 HG LEU A 50 0.005 5.713 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.115 4.309 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.018 3.731 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.438 4.714 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.124 6.650 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.536 7.112 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.136 7.855 2.733 1.00 0.00 H new ATOM 808 N GLU A 51 -1.018 7.620 -1.763 1.00 0.00 N ATOM 809 CA GLU A 51 -1.593 7.546 -3.092 1.00 0.00 C ATOM 810 C GLU A 51 -0.469 7.722 -4.112 1.00 0.00 C ATOM 811 O GLU A 51 0.687 7.934 -3.742 1.00 0.00 O ATOM 812 CB GLU A 51 -2.799 8.472 -3.280 1.00 0.00 C ATOM 813 CG GLU A 51 -2.551 9.962 -3.061 1.00 0.00 C ATOM 814 CD GLU A 51 -3.865 10.726 -2.879 1.00 0.00 C ATOM 815 OE1 GLU A 51 -3.833 11.782 -2.208 1.00 0.00 O ATOM 816 OE2 GLU A 51 -4.950 10.217 -3.255 1.00 0.00 O ATOM 0 H GLU A 51 -0.095 8.055 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.033 6.562 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.181 8.334 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.585 8.152 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.922 10.102 -2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.006 10.371 -3.912 1.00 0.00 H new ATOM 823 N ASP A 52 -0.837 7.667 -5.387 1.00 0.00 N ATOM 824 CA ASP A 52 0.023 7.741 -6.552 1.00 0.00 C ATOM 825 C ASP A 52 0.603 9.129 -6.775 1.00 0.00 C ATOM 826 O ASP A 52 0.155 10.123 -6.199 1.00 0.00 O ATOM 827 CB ASP A 52 -0.790 7.325 -7.784 1.00 0.00 C ATOM 828 CG ASP A 52 -1.860 8.356 -8.149 1.00 0.00 C ATOM 829 OD1 ASP A 52 -3.022 8.184 -7.715 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.541 9.337 -8.857 1.00 0.00 O ATOM 0 H ASP A 52 -1.818 7.562 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 52 0.866 7.070 -6.386 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.118 7.187 -8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.265 6.363 -7.595 1.00 0.00 H new ATOM 835 N GLY A 53 1.675 9.142 -7.565 1.00 0.00 N ATOM 836 CA GLY A 53 2.451 10.309 -7.938 1.00 0.00 C ATOM 837 C GLY A 53 3.733 10.383 -7.112 1.00 0.00 C ATOM 838 O GLY A 53 4.681 11.029 -7.553 1.00 0.00 O ATOM 0 H GLY A 53 2.041 8.286 -7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.697 10.266 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.859 11.211 -7.784 1.00 0.00 H new ATOM 842 N ARG A 54 3.760 9.790 -5.911 1.00 0.00 N ATOM 843 CA ARG A 54 4.924 9.774 -5.021 1.00 0.00 C ATOM 844 C ARG A 54 5.573 8.394 -4.945 1.00 0.00 C ATOM 845 O ARG A 54 4.962 7.408 -5.373 1.00 0.00 O ATOM 846 CB ARG A 54 4.502 10.236 -3.625 1.00 0.00 C ATOM 847 CG ARG A 54 4.244 11.744 -3.525 1.00 0.00 C ATOM 848 CD ARG A 54 4.127 12.098 -2.038 1.00 0.00 C ATOM 849 NE ARG A 54 3.238 13.221 -1.741 1.00 0.00 N ATOM 850 CZ ARG A 54 3.012 13.674 -0.501 1.00 0.00 C ATOM 851 NH1 ARG A 54 3.533 13.032 0.545 1.00 0.00 N ATOM 852 NH2 ARG A 54 2.262 14.750 -0.316 1.00 0.00 N ATOM 0 H ARG A 54 2.955 9.298 -5.525 1.00 0.00 H new ATOM 0 HA ARG A 54 5.669 10.456 -5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.598 9.702 -3.333 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.279 9.961 -2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.057 12.303 -3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.330 12.012 -4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.773 11.220 -1.497 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.121 12.329 -1.655 1.00 0.00 H new ATOM 0 HE ARG A 54 2.766 13.683 -2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.102 12.198 0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.362 13.375 1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.857 15.233 -1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.090 15.095 0.628 1.00 0.00 H new ATOM 866 N THR A 55 6.737 8.320 -4.300 1.00 0.00 N ATOM 867 CA THR A 55 7.522 7.117 -4.068 1.00 0.00 C ATOM 868 C THR A 55 7.645 6.874 -2.556 1.00 0.00 C ATOM 869 O THR A 55 7.222 7.704 -1.739 1.00 0.00 O ATOM 870 CB THR A 55 8.916 7.239 -4.721 1.00 0.00 C ATOM 871 OG1 THR A 55 9.701 8.276 -4.150 1.00 0.00 O ATOM 872 CG2 THR A 55 8.865 7.430 -6.235 1.00 0.00 C ATOM 0 H THR A 55 7.179 9.149 -3.904 1.00 0.00 H new ATOM 0 HA THR A 55 7.017 6.266 -4.525 1.00 0.00 H new ATOM 0 HB THR A 55 9.390 6.279 -4.515 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.204 9.120 -4.186 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.879 7.508 -6.626 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.364 6.577 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.315 8.342 -6.468 1.00 0.00 H new ATOM 880 N LEU A 56 8.190 5.714 -2.165 1.00 0.00 N ATOM 881 CA LEU A 56 8.412 5.361 -0.760 1.00 0.00 C ATOM 882 C LEU A 56 9.198 6.465 -0.046 1.00 0.00 C ATOM 883 O LEU A 56 8.903 6.789 1.102 1.00 0.00 O ATOM 884 CB LEU A 56 9.176 4.032 -0.612 1.00 0.00 C ATOM 885 CG LEU A 56 8.276 2.796 -0.461 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.678 2.370 -1.801 1.00 0.00 C ATOM 887 CD2 LEU A 56 9.076 1.634 0.131 1.00 0.00 C ATOM 0 H LEU A 56 8.490 4.992 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 56 7.428 5.248 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.816 3.896 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.831 4.098 0.257 1.00 0.00 H new ATOM 0 HG LEU A 56 7.459 3.062 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.047 1.493 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.079 3.185 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.481 2.128 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.430 0.762 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.909 1.392 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.460 1.919 1.110 1.00 0.00 H new ATOM 899 N SER A 57 10.220 7.005 -0.714 1.00 0.00 N ATOM 900 CA SER A 57 11.107 8.048 -0.230 1.00 0.00 C ATOM 901 C SER A 57 10.336 9.313 0.140 1.00 0.00 C ATOM 902 O SER A 57 10.552 9.842 1.231 1.00 0.00 O ATOM 903 CB SER A 57 12.135 8.318 -1.336 1.00 0.00 C ATOM 904 OG SER A 57 13.123 9.256 -0.969 1.00 0.00 O ATOM 0 H SER A 57 10.458 6.705 -1.659 1.00 0.00 H new ATOM 0 HA SER A 57 11.608 7.726 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.619 7.380 -1.608 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.615 8.678 -2.224 1.00 0.00 H new ATOM 0 HG SER A 57 13.747 9.382 -1.714 1.00 0.00 H new ATOM 910 N ASP A 58 9.396 9.775 -0.691 1.00 0.00 N ATOM 911 CA ASP A 58 8.631 10.987 -0.397 1.00 0.00 C ATOM 912 C ASP A 58 7.911 10.834 0.936 1.00 0.00 C ATOM 913 O ASP A 58 7.999 11.702 1.801 1.00 0.00 O ATOM 914 CB ASP A 58 7.540 11.284 -1.429 1.00 0.00 C ATOM 915 CG ASP A 58 7.996 11.473 -2.865 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.415 10.464 -3.470 1.00 0.00 O ATOM 917 OD2 ASP A 58 7.852 12.611 -3.370 1.00 0.00 O ATOM 0 H ASP A 58 9.148 9.326 -1.573 1.00 0.00 H new ATOM 0 HA ASP A 58 9.361 11.796 -0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.818 10.468 -1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.013 12.186 -1.117 1.00 0.00 H new ATOM 922 N TYR A 59 7.249 9.693 1.130 1.00 0.00 N ATOM 923 CA TYR A 59 6.498 9.386 2.338 1.00 0.00 C ATOM 924 C TYR A 59 7.400 8.873 3.474 1.00 0.00 C ATOM 925 O TYR A 59 6.885 8.561 4.550 1.00 0.00 O ATOM 926 CB TYR A 59 5.393 8.382 1.977 1.00 0.00 C ATOM 927 CG TYR A 59 4.220 8.961 1.200 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.317 9.828 1.848 1.00 0.00 C ATOM 929 CD2 TYR A 59 3.952 8.548 -0.121 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.152 10.264 1.194 1.00 0.00 C ATOM 931 CE2 TYR A 59 2.784 8.983 -0.777 1.00 0.00 C ATOM 932 CZ TYR A 59 1.881 9.853 -0.129 1.00 0.00 C ATOM 933 OH TYR A 59 0.763 10.302 -0.769 1.00 0.00 O ATOM 0 H TYR A 59 7.222 8.945 0.437 1.00 0.00 H new ATOM 0 HA TYR A 59 6.047 10.300 2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.834 7.576 1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.014 7.937 2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.522 10.160 2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.645 7.896 -0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.461 10.917 1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.578 8.648 -1.783 1.00 0.00 H new ATOM 0 HH TYR A 59 0.729 9.924 -1.672 1.00 0.00 H new ATOM 943 N ASN A 60 8.720 8.788 3.263 1.00 0.00 N ATOM 944 CA ASN A 60 9.745 8.337 4.207 1.00 0.00 C ATOM 945 C ASN A 60 9.413 6.947 4.774 1.00 0.00 C ATOM 946 O ASN A 60 9.537 6.684 5.975 1.00 0.00 O ATOM 947 CB ASN A 60 9.959 9.421 5.279 1.00 0.00 C ATOM 948 CG ASN A 60 11.099 9.088 6.231 1.00 0.00 C ATOM 949 OD1 ASN A 60 12.191 8.730 5.810 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.884 9.227 7.528 1.00 0.00 N ATOM 0 H ASN A 60 9.126 9.051 2.365 1.00 0.00 H new ATOM 0 HA ASN A 60 10.696 8.205 3.692 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.165 10.373 4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.039 9.548 5.850 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.634 9.035 8.193 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.969 9.526 7.864 1.00 0.00 H new ATOM 957 N ILE A 61 9.026 6.026 3.892 1.00 0.00 N ATOM 958 CA ILE A 61 8.660 4.650 4.218 1.00 0.00 C ATOM 959 C ILE A 61 9.964 3.853 4.225 1.00 0.00 C ATOM 960 O ILE A 61 10.739 3.932 3.271 1.00 0.00 O ATOM 961 CB ILE A 61 7.631 4.124 3.189 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.348 4.986 3.238 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.288 2.646 3.449 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.300 4.645 2.175 1.00 0.00 C ATOM 0 H ILE A 61 8.957 6.226 2.894 1.00 0.00 H new ATOM 0 HA ILE A 61 8.177 4.561 5.191 1.00 0.00 H new ATOM 0 HB ILE A 61 8.075 4.196 2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.893 4.879 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.628 6.034 3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.563 2.305 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.193 2.044 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.865 2.541 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.438 5.302 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.730 4.781 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.985 3.608 2.294 1.00 0.00 H new ATOM 976 N GLN A 62 10.241 3.134 5.314 1.00 0.00 N ATOM 977 CA GLN A 62 11.453 2.331 5.461 1.00 0.00 C ATOM 978 C GLN A 62 11.191 0.867 5.116 1.00 0.00 C ATOM 979 O GLN A 62 10.049 0.473 4.864 1.00 0.00 O ATOM 980 CB GLN A 62 12.003 2.460 6.892 1.00 0.00 C ATOM 981 CG GLN A 62 12.218 3.909 7.345 1.00 0.00 C ATOM 982 CD GLN A 62 13.021 4.723 6.334 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.063 4.297 5.841 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.569 5.916 5.994 1.00 0.00 N ATOM 0 H GLN A 62 9.624 3.093 6.125 1.00 0.00 H new ATOM 0 HA GLN A 62 12.199 2.708 4.761 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.314 1.972 7.581 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.950 1.925 6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.250 4.385 7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.736 3.914 8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.704 6.269 6.403 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.085 6.484 5.322 1.00 0.00 H new ATOM 993 N LYS A 63 12.259 0.064 5.081 1.00 0.00 N ATOM 994 CA LYS A 63 12.161 -1.360 4.787 1.00 0.00 C ATOM 995 C LYS A 63 11.398 -2.054 5.912 1.00 0.00 C ATOM 996 O LYS A 63 11.330 -1.556 7.041 1.00 0.00 O ATOM 997 CB LYS A 63 13.540 -1.981 4.506 1.00 0.00 C ATOM 998 CG LYS A 63 14.428 -2.164 5.746 1.00 0.00 C ATOM 999 CD LYS A 63 15.781 -2.763 5.348 1.00 0.00 C ATOM 1000 CE LYS A 63 16.682 -2.870 6.580 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.111 -2.936 6.224 1.00 0.00 N ATOM 0 H LYS A 63 13.211 0.386 5.256 1.00 0.00 H new ATOM 0 HA LYS A 63 11.596 -1.505 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.396 -2.952 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.067 -1.352 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.579 -1.203 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.931 -2.816 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.637 -3.748 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.257 -2.139 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.511 -2.011 7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.410 -3.759 7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.682 -3.008 7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.282 -3.770 5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.379 -2.077 5.703 1.00 0.00 H new ATOM 1015 N GLU A 64 10.818 -3.200 5.597 1.00 0.00 N ATOM 1016 CA GLU A 64 10.026 -4.052 6.463 1.00 0.00 C ATOM 1017 C GLU A 64 8.916 -3.250 7.153 1.00 0.00 C ATOM 1018 O GLU A 64 8.610 -3.465 8.324 1.00 0.00 O ATOM 1019 CB GLU A 64 10.945 -4.858 7.396 1.00 0.00 C ATOM 1020 CG GLU A 64 11.637 -6.022 6.667 1.00 0.00 C ATOM 1021 CD GLU A 64 12.813 -5.595 5.785 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.619 -5.257 4.595 1.00 0.00 O ATOM 1023 OE2 GLU A 64 13.967 -5.697 6.254 1.00 0.00 O ATOM 0 H GLU A 64 10.896 -3.587 4.656 1.00 0.00 H new ATOM 0 HA GLU A 64 9.491 -4.799 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.701 -4.196 7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.361 -5.249 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.993 -6.740 7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.902 -6.538 6.049 1.00 0.00 H new ATOM 1030 N SER A 65 8.346 -2.264 6.456 1.00 0.00 N ATOM 1031 CA SER A 65 7.264 -1.442 6.973 1.00 0.00 C ATOM 1032 C SER A 65 5.976 -2.274 6.932 1.00 0.00 C ATOM 1033 O SER A 65 5.887 -3.276 6.221 1.00 0.00 O ATOM 1034 CB SER A 65 7.150 -0.136 6.174 1.00 0.00 C ATOM 1035 OG SER A 65 7.510 -0.300 4.821 1.00 0.00 O ATOM 0 H SER A 65 8.630 -2.016 5.508 1.00 0.00 H new ATOM 0 HA SER A 65 7.458 -1.148 8.005 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.126 0.234 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.789 0.621 6.628 1.00 0.00 H new ATOM 0 HG SER A 65 8.447 -0.041 4.698 1.00 0.00 H new ATOM 1041 N THR A 66 4.958 -1.845 7.675 1.00 0.00 N ATOM 1042 CA THR A 66 3.673 -2.521 7.759 1.00 0.00 C ATOM 1043 C THR A 66 2.623 -1.498 7.336 1.00 0.00 C ATOM 1044 O THR A 66 2.346 -0.537 8.054 1.00 0.00 O ATOM 1045 CB THR A 66 3.489 -3.076 9.181 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.702 -3.586 9.713 1.00 0.00 O ATOM 1047 CG2 THR A 66 2.494 -4.225 9.187 1.00 0.00 C ATOM 0 H THR A 66 5.008 -1.001 8.245 1.00 0.00 H new ATOM 0 HA THR A 66 3.589 -3.385 7.100 1.00 0.00 H new ATOM 0 HB THR A 66 3.135 -2.241 9.786 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.544 -3.928 10.618 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.380 -4.602 10.203 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.530 -3.873 8.820 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.858 -5.025 8.542 1.00 0.00 H new ATOM 1055 N LEU A 67 2.092 -1.679 6.130 1.00 0.00 N ATOM 1056 CA LEU A 67 1.096 -0.822 5.515 1.00 0.00 C ATOM 1057 C LEU A 67 -0.283 -1.474 5.632 1.00 0.00 C ATOM 1058 O LEU A 67 -0.393 -2.672 5.896 1.00 0.00 O ATOM 1059 CB LEU A 67 1.486 -0.570 4.046 1.00 0.00 C ATOM 1060 CG LEU A 67 2.825 0.188 3.871 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.067 -0.715 3.901 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.837 0.927 2.535 1.00 0.00 C ATOM 0 H LEU A 67 2.359 -2.462 5.533 1.00 0.00 H new ATOM 0 HA LEU A 67 1.053 0.140 6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.552 -1.527 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.692 -0.001 3.563 1.00 0.00 H new ATOM 0 HG LEU A 67 2.880 0.868 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.962 -0.107 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.116 -1.234 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.005 -1.446 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.783 1.457 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.722 0.210 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.015 1.642 2.507 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.339 -0.675 5.514 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.739 -1.077 5.573 1.00 0.00 C ATOM 1076 C HIS A 68 -3.467 -0.727 4.279 1.00 0.00 C ATOM 1077 O HIS A 68 -3.002 0.118 3.512 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.422 -0.389 6.763 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.416 -1.225 8.009 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.659 -1.002 9.135 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -4.250 -2.280 8.258 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -3.055 -1.886 10.063 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -4.039 -2.678 9.586 1.00 0.00 N ATOM 0 H HIS A 68 -1.233 0.329 5.366 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.782 -2.159 5.702 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.920 0.557 6.965 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.452 -0.153 6.496 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.944 -2.725 7.560 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.642 -1.955 11.059 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.530 -3.417 10.090 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.640 -1.334 4.075 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.526 -1.117 2.936 1.00 0.00 C ATOM 1093 C LEU A 69 -6.861 -0.671 3.522 1.00 0.00 C ATOM 1094 O LEU A 69 -7.384 -1.349 4.415 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.691 -2.369 2.059 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.396 -2.875 1.408 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -4.699 -4.055 0.479 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -3.693 -1.797 0.575 1.00 0.00 C ATOM 0 H LEU A 69 -5.011 -2.021 4.732 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.104 -0.365 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.111 -3.169 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.415 -2.152 1.274 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.739 -3.171 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.773 -4.406 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.150 -4.864 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.390 -3.736 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.784 -2.210 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.358 -1.461 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.437 -0.952 1.215 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.387 0.476 3.088 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.653 1.010 3.587 1.00 0.00 C ATOM 1112 C VAL A 70 -9.495 1.617 2.458 1.00 0.00 C ATOM 1113 O VAL A 70 -8.998 1.934 1.372 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.395 2.054 4.704 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.439 1.575 5.812 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -7.887 3.386 4.136 1.00 0.00 C ATOM 0 H VAL A 70 -6.945 1.061 2.379 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.222 0.181 4.008 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.372 2.199 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.314 2.366 6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.855 0.690 6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.471 1.330 5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.719 4.089 4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.952 3.220 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.629 3.796 3.451 1.00 0.00 H new ATOM 1126 N LEU A 71 -10.779 1.815 2.752 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.802 2.396 1.892 1.00 0.00 C ATOM 1128 C LEU A 71 -12.714 3.266 2.749 1.00 0.00 C ATOM 1129 O LEU A 71 -12.378 3.606 3.884 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.589 1.306 1.133 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.592 0.475 1.974 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -14.731 -0.044 1.093 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -12.908 -0.716 2.640 1.00 0.00 C ATOM 0 H LEU A 71 -11.156 1.554 3.663 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.332 3.014 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.136 1.782 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.874 0.621 0.678 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.989 1.135 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.425 -0.625 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.258 0.799 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.322 -0.676 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.639 -1.277 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.479 -1.363 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.117 -0.359 3.299 1.00 0.00 H new