USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot -73:sc= 1.32 USER MOD Set 2.2: A 9 THR OG1 : rot -4:sc= 0.206 USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0347) USER MOD Single : A 1 MET N :NH3+ -179:sc= 2.42 (180deg=2.37) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -108:sc= 0.575 (180deg=-0.49!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -78:sc= 0.495 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= 2.71 (180deg=0.478) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc= 0.0772 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.028) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= -0.528 K(o=-0.53,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.189 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 85:sc= 1.07 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=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.105 -6.333 -4.838 1.00 9.67 N ATOM 2 CA MET A 1 11.168 -6.271 -3.406 1.00 10.38 C ATOM 3 C MET A 1 9.942 -6.930 -2.752 1.00 9.62 C ATOM 4 O MET A 1 8.809 -6.595 -3.012 1.00 9.62 O ATOM 5 CB MET A 1 11.368 -4.816 -3.060 1.00 13.77 C ATOM 6 CG MET A 1 11.630 -4.607 -1.559 1.00 16.29 C ATOM 7 SD MET A 1 11.929 -2.773 -1.184 1.00 17.17 S ATOM 8 CE MET A 1 10.241 -2.169 -1.280 1.00 16.11 C ATOM 0 H1 MET A 1 11.957 -5.894 -5.242 1.00 9.67 H new ATOM 0 H2 MET A 1 11.051 -7.327 -5.140 1.00 9.67 H new ATOM 0 H3 MET A 1 10.262 -5.824 -5.171 1.00 9.67 H new ATOM 0 HA MET A 1 12.000 -6.849 -3.003 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.207 -4.420 -3.632 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.485 -4.249 -3.355 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.779 -4.968 -0.982 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.496 -5.193 -1.250 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.209 -1.126 -0.963 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.884 -2.247 -2.307 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.603 -2.766 -0.628 1.00 16.11 H new ATOM 20 N GLN A 2 10.149 -7.828 -1.805 1.00 9.27 N ATOM 21 CA GLN A 2 9.034 -8.423 -1.046 1.00 9.07 C ATOM 22 C GLN A 2 8.466 -7.436 -0.009 1.00 8.72 C ATOM 23 O GLN A 2 9.195 -6.852 0.801 1.00 8.22 O ATOM 24 CB GLN A 2 9.560 -9.768 -0.483 1.00 14.46 C ATOM 25 CG GLN A 2 8.596 -10.579 0.434 1.00 17.01 C ATOM 26 CD GLN A 2 8.887 -12.095 0.595 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.259 -12.646 1.604 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.569 -12.801 -0.518 1.00 19.49 N ATOM 0 H GLN A 2 11.072 -8.168 -1.535 1.00 9.27 H new ATOM 0 HA GLN A 2 8.165 -8.634 -1.669 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.839 -10.401 -1.325 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.472 -9.566 0.079 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.608 -10.124 1.425 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.584 -10.468 0.045 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.257 -12.315 -1.359 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.642 -13.818 -0.515 1.00 19.49 H new ATOM 37 N ILE A 3 7.163 -7.240 0.090 1.00 5.87 N ATOM 38 CA ILE A 3 6.520 -6.612 1.235 1.00 5.07 C ATOM 39 C ILE A 3 5.249 -7.364 1.467 1.00 4.01 C ATOM 40 O ILE A 3 4.756 -8.108 0.630 1.00 4.61 O ATOM 41 CB ILE A 3 6.101 -5.112 0.923 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.209 -4.900 -0.350 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.382 -4.334 0.856 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.878 -3.455 -0.534 1.00 10.83 C ATOM 0 H ILE A 3 6.506 -7.519 -0.639 1.00 5.87 H new ATOM 0 HA ILE A 3 7.207 -6.622 2.081 1.00 5.07 H new ATOM 0 HB ILE A 3 5.441 -4.762 1.717 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.731 -5.273 -1.231 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.290 -5.479 -0.256 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.162 -3.288 0.643 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.903 -4.408 1.811 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.013 -4.740 0.066 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.259 -3.334 -1.423 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.335 -3.092 0.339 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.798 -2.883 -0.652 1.00 10.83 H new ATOM 56 N PHE A 4 4.724 -7.110 2.686 1.00 4.55 N ATOM 57 CA PHE A 4 3.457 -7.699 3.138 1.00 4.68 C ATOM 58 C PHE A 4 2.556 -6.502 3.363 1.00 5.30 C ATOM 59 O PHE A 4 2.965 -5.505 3.909 1.00 5.58 O ATOM 60 CB PHE A 4 3.624 -8.483 4.486 1.00 4.83 C ATOM 61 CG PHE A 4 4.776 -9.550 4.333 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.748 -10.465 3.345 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.907 -9.497 5.125 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.705 -11.488 3.187 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.835 -10.579 5.068 1.00 10.61 C ATOM 66 CZ PHE A 4 6.692 -11.587 4.143 1.00 8.90 C ATOM 0 H PHE A 4 5.165 -6.498 3.372 1.00 4.55 H new ATOM 0 HA PHE A 4 3.069 -8.415 2.413 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.859 -7.791 5.295 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.689 -8.977 4.750 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.942 -10.412 2.629 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.085 -8.653 5.775 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.666 -12.168 2.349 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.662 -10.607 5.762 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.346 -12.446 4.166 1.00 8.90 H new ATOM 76 N VAL A 5 1.227 -6.612 2.993 1.00 4.44 N ATOM 77 CA VAL A 5 0.238 -5.621 3.324 1.00 3.87 C ATOM 78 C VAL A 5 -0.808 -6.348 4.109 1.00 4.93 C ATOM 79 O VAL A 5 -1.276 -7.369 3.640 1.00 6.84 O ATOM 80 CB VAL A 5 -0.307 -4.885 2.066 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.368 -3.813 2.537 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.876 -4.119 1.390 1.00 9.13 C ATOM 0 H VAL A 5 0.857 -7.400 2.462 1.00 4.44 H new ATOM 0 HA VAL A 5 0.657 -4.809 3.919 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.754 -5.599 1.374 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.762 -3.285 1.669 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.184 -4.313 3.059 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.891 -3.100 3.209 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.513 -3.596 0.505 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.291 -3.397 2.093 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.650 -4.829 1.100 1.00 9.13 H new ATOM 92 N LYS A 6 -1.270 -5.816 5.292 1.00 6.04 N ATOM 93 CA LYS A 6 -2.347 -6.335 6.103 1.00 6.12 C ATOM 94 C LYS A 6 -3.665 -5.758 5.711 1.00 6.57 C ATOM 95 O LYS A 6 -3.919 -4.549 5.909 1.00 5.76 O ATOM 96 CB LYS A 6 -1.981 -6.189 7.602 1.00 7.45 C ATOM 97 CG LYS A 6 -2.978 -6.884 8.515 1.00 11.12 C ATOM 98 CD LYS A 6 -2.409 -7.912 9.511 1.00 14.54 C ATOM 99 CE LYS A 6 -1.859 -7.203 10.752 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.731 -8.172 11.855 1.00 20.55 N ATOM 0 H LYS A 6 -0.858 -4.974 5.694 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.471 -7.403 5.921 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.987 -6.603 7.772 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.933 -5.131 7.860 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.509 -6.120 9.082 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.716 -7.388 7.891 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.188 -8.616 9.802 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.618 -8.491 9.034 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.889 -6.758 10.530 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.523 -6.390 11.044 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.358 -7.691 12.698 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.664 -8.576 12.072 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.081 -8.934 11.574 1.00 20.55 H new ATOM 114 N THR A 7 -4.568 -6.550 5.150 1.00 7.41 N ATOM 115 CA THR A 7 -5.920 -6.122 4.760 1.00 7.48 C ATOM 116 C THR A 7 -6.884 -5.841 5.881 1.00 8.75 C ATOM 117 O THR A 7 -6.578 -6.131 7.046 1.00 8.58 O ATOM 118 CB THR A 7 -6.568 -7.135 3.883 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.900 -8.387 4.506 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.654 -7.400 2.665 1.00 9.17 C ATOM 0 H THR A 7 -4.385 -7.532 4.945 1.00 7.41 H new ATOM 0 HA THR A 7 -5.731 -5.176 4.253 1.00 7.48 H new ATOM 0 HB THR A 7 -7.526 -6.699 3.600 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.081 -8.904 4.658 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.119 -8.141 2.015 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.508 -6.473 2.111 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.689 -7.773 3.008 1.00 9.17 H new ATOM 128 N LEU A 8 -8.129 -5.343 5.593 1.00 9.84 N ATOM 129 CA LEU A 8 -9.163 -5.058 6.564 1.00 14.15 C ATOM 130 C LEU A 8 -9.883 -6.347 6.936 1.00 17.37 C ATOM 131 O LEU A 8 -10.491 -6.452 7.974 1.00 17.01 O ATOM 132 CB LEU A 8 -10.273 -4.096 5.997 1.00 16.63 C ATOM 133 CG LEU A 8 -9.701 -2.715 5.837 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.786 -1.944 5.119 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.305 -2.090 7.151 1.00 18.59 C ATOM 0 H LEU A 8 -8.419 -5.133 4.638 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.663 -4.591 7.413 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.635 -4.465 5.037 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.128 -4.072 6.672 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.767 -2.721 5.275 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.457 -0.918 4.957 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.992 -2.415 4.158 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.693 -1.943 5.724 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.899 -1.094 6.973 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.180 -2.015 7.796 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.549 -2.709 7.635 1.00 18.59 H new ATOM 147 N THR A 9 -9.673 -7.482 6.190 1.00 18.33 N ATOM 148 CA THR A 9 -10.365 -8.765 6.408 1.00 19.24 C ATOM 149 C THR A 9 -9.572 -9.642 7.233 1.00 19.48 C ATOM 150 O THR A 9 -10.011 -10.765 7.433 1.00 23.14 O ATOM 151 CB THR A 9 -10.755 -9.481 5.079 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.583 -9.659 4.242 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.760 -8.649 4.313 1.00 19.70 C ATOM 0 H THR A 9 -9.008 -7.514 5.417 1.00 18.33 H new ATOM 0 HA THR A 9 -11.295 -8.527 6.925 1.00 19.24 H new ATOM 0 HB THR A 9 -11.185 -10.450 5.331 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.809 -9.234 4.667 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.024 -9.159 3.387 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.655 -8.510 4.919 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.325 -7.677 4.080 1.00 19.70 H new ATOM 161 N GLY A 10 -8.357 -9.159 7.663 1.00 19.43 N ATOM 162 CA GLY A 10 -7.453 -9.974 8.423 1.00 18.74 C ATOM 163 C GLY A 10 -6.487 -10.819 7.637 1.00 17.62 C ATOM 164 O GLY A 10 -5.738 -11.582 8.241 1.00 19.74 O ATOM 0 H GLY A 10 -8.021 -8.214 7.478 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.879 -9.323 9.082 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.042 -10.633 9.061 1.00 18.74 H new ATOM 168 N LYS A 11 -6.431 -10.707 6.258 1.00 13.56 N ATOM 169 CA LYS A 11 -5.524 -11.484 5.422 1.00 11.91 C ATOM 170 C LYS A 11 -4.273 -10.635 5.110 1.00 10.18 C ATOM 171 O LYS A 11 -4.305 -9.434 4.823 1.00 9.10 O ATOM 172 CB LYS A 11 -6.251 -11.688 4.088 1.00 13.43 C ATOM 173 CG LYS A 11 -5.601 -12.673 3.091 1.00 16.69 C ATOM 174 CD LYS A 11 -6.021 -12.604 1.538 1.00 17.92 C ATOM 175 CE LYS A 11 -7.546 -12.639 1.364 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.870 -12.485 -0.021 1.00 21.93 N ATOM 0 H LYS A 11 -7.025 -10.068 5.729 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.243 -12.416 5.912 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.262 -12.035 4.300 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.343 -10.719 3.598 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.522 -12.532 3.146 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.809 -13.683 3.443 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.624 -11.691 1.093 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.574 -13.441 1.002 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.944 -13.582 1.739 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.008 -11.843 1.948 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.277 -11.541 -0.179 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.008 -12.590 -0.593 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.561 -13.211 -0.299 1.00 21.93 H new ATOM 190 N THR A 12 -3.126 -11.289 5.380 1.00 9.63 N ATOM 191 CA THR A 12 -1.854 -10.735 5.057 1.00 9.85 C ATOM 192 C THR A 12 -1.491 -11.206 3.691 1.00 11.66 C ATOM 193 O THR A 12 -1.187 -12.357 3.384 1.00 12.33 O ATOM 194 CB THR A 12 -0.741 -11.112 6.058 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.979 -10.695 7.382 1.00 10.91 O ATOM 196 CG2 THR A 12 0.655 -10.538 5.686 1.00 9.63 C ATOM 0 H THR A 12 -3.085 -12.206 5.825 1.00 9.63 H new ATOM 0 HA THR A 12 -1.936 -9.649 5.105 1.00 9.85 H new ATOM 0 HB THR A 12 -0.751 -12.200 5.995 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.232 -10.973 7.952 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.386 -10.844 6.435 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.956 -10.917 4.709 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.604 -9.450 5.653 1.00 9.63 H new ATOM 204 N ILE A 13 -1.418 -10.192 2.835 1.00 10.42 N ATOM 205 CA ILE A 13 -1.082 -10.390 1.438 1.00 11.84 C ATOM 206 C ILE A 13 0.375 -10.020 1.138 1.00 10.55 C ATOM 207 O ILE A 13 0.855 -8.997 1.639 1.00 11.92 O ATOM 208 CB ILE A 13 -2.004 -9.655 0.462 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.159 -8.128 0.736 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.386 -10.373 0.344 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.875 -7.481 -0.443 1.00 16.46 C ATOM 0 H ILE A 13 -1.589 -9.220 3.091 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.227 -11.458 1.276 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.504 -9.707 -0.505 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.724 -7.966 1.654 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.180 -7.670 0.879 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.020 -9.829 -0.356 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.238 -11.391 -0.017 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.866 -10.401 1.322 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.987 -6.413 -0.259 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.292 -7.633 -1.351 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.859 -7.934 -0.564 1.00 16.46 H new ATOM 223 N THR A 14 1.056 -10.835 0.309 1.00 9.39 N ATOM 224 CA THR A 14 2.413 -10.713 -0.078 1.00 9.63 C ATOM 225 C THR A 14 2.440 -10.206 -1.498 1.00 11.20 C ATOM 226 O THR A 14 1.683 -10.667 -2.341 1.00 11.63 O ATOM 227 CB THR A 14 3.150 -12.070 -0.083 1.00 10.38 C ATOM 228 OG1 THR A 14 3.098 -12.575 1.257 1.00 16.30 O ATOM 229 CG2 THR A 14 4.668 -11.847 -0.422 1.00 11.66 C ATOM 0 H THR A 14 0.609 -11.645 -0.121 1.00 9.39 H new ATOM 0 HA THR A 14 2.903 -10.048 0.633 1.00 9.63 H new ATOM 0 HB THR A 14 2.695 -12.742 -0.810 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.767 -12.115 1.806 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.185 -12.807 -0.425 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.757 -11.384 -1.405 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.116 -11.195 0.328 1.00 11.66 H new ATOM 237 N LEU A 15 3.376 -9.201 -1.790 1.00 8.29 N ATOM 238 CA LEU A 15 3.516 -8.509 -3.073 1.00 9.03 C ATOM 239 C LEU A 15 4.999 -8.639 -3.479 1.00 8.59 C ATOM 240 O LEU A 15 5.908 -8.869 -2.642 1.00 7.79 O ATOM 241 CB LEU A 15 3.212 -7.003 -3.035 1.00 11.08 C ATOM 242 CG LEU A 15 1.859 -6.608 -2.377 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.529 -5.077 -2.317 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.632 -7.323 -2.986 1.00 15.27 C ATOM 0 H LEU A 15 4.048 -8.874 -1.096 1.00 8.29 H new ATOM 0 HA LEU A 15 2.799 -8.963 -3.757 1.00 9.03 H new ATOM 0 HB2 LEU A 15 4.017 -6.501 -2.498 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.224 -6.622 -4.056 1.00 11.08 H new ATOM 0 HG LEU A 15 2.036 -6.949 -1.357 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.561 -4.932 -1.837 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.299 -4.561 -1.744 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.496 -4.672 -3.328 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.272 -6.994 -2.474 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.558 -7.079 -4.046 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.744 -8.401 -2.869 1.00 15.27 H new ATOM 256 N GLU A 16 5.252 -8.496 -4.817 1.00 11.04 N ATOM 257 CA GLU A 16 6.579 -8.325 -5.315 1.00 11.50 C ATOM 258 C GLU A 16 6.589 -6.978 -6.085 1.00 10.13 C ATOM 259 O GLU A 16 6.057 -6.799 -7.153 1.00 9.83 O ATOM 260 CB GLU A 16 7.059 -9.471 -6.203 1.00 17.22 C ATOM 261 CG GLU A 16 8.592 -9.511 -6.474 1.00 23.33 C ATOM 262 CD GLU A 16 9.442 -9.718 -5.264 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.184 -10.697 -4.568 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.464 -9.000 -5.064 1.00 28.86 O ATOM 0 H GLU A 16 4.529 -8.501 -5.537 1.00 11.04 H new ATOM 0 HA GLU A 16 7.278 -8.323 -4.478 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.764 -10.413 -5.741 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.540 -9.409 -7.159 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.799 -10.310 -7.186 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.886 -8.576 -6.950 1.00 23.33 H new ATOM 271 N VAL A 17 7.206 -5.928 -5.440 1.00 8.99 N ATOM 272 CA VAL A 17 7.123 -4.556 -5.929 1.00 8.85 C ATOM 273 C VAL A 17 8.528 -4.074 -6.236 1.00 8.04 C ATOM 274 O VAL A 17 9.454 -4.342 -5.483 1.00 8.99 O ATOM 275 CB VAL A 17 6.481 -3.570 -4.972 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.947 -3.916 -4.872 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.117 -3.576 -3.590 1.00 10.54 C ATOM 0 H VAL A 17 7.756 -6.034 -4.588 1.00 8.99 H new ATOM 0 HA VAL A 17 6.479 -4.588 -6.808 1.00 8.85 H new ATOM 0 HB VAL A 17 6.633 -2.564 -5.364 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.461 -3.220 -4.188 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.491 -3.834 -5.858 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.827 -4.933 -4.500 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.612 -2.849 -2.954 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.024 -4.569 -3.151 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.172 -3.314 -3.674 1.00 10.54 H new ATOM 287 N GLU A 18 8.767 -3.301 -7.321 1.00 7.29 N ATOM 288 CA GLU A 18 10.050 -2.633 -7.518 1.00 7.08 C ATOM 289 C GLU A 18 10.050 -1.544 -6.475 1.00 6.45 C ATOM 290 O GLU A 18 8.976 -1.059 -6.135 1.00 5.28 O ATOM 291 CB GLU A 18 10.214 -1.981 -8.936 1.00 10.28 C ATOM 292 CG GLU A 18 10.256 -3.024 -10.026 1.00 12.65 C ATOM 293 CD GLU A 18 11.541 -3.872 -10.023 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.669 -3.319 -10.161 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.413 -5.125 -9.809 1.00 14.33 O ATOM 0 H GLU A 18 8.086 -3.133 -8.062 1.00 7.29 H new ATOM 0 HA GLU A 18 10.867 -3.350 -7.437 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.387 -1.295 -9.120 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.130 -1.390 -8.962 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.395 -3.684 -9.918 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.160 -2.530 -10.993 1.00 12.65 H new ATOM 302 N PRO A 19 11.138 -1.051 -5.934 1.00 7.24 N ATOM 303 CA PRO A 19 11.245 0.070 -5.031 1.00 7.07 C ATOM 304 C PRO A 19 10.879 1.431 -5.805 1.00 6.65 C ATOM 305 O PRO A 19 10.705 2.400 -5.201 1.00 6.37 O ATOM 306 CB PRO A 19 12.629 -0.016 -4.470 1.00 7.61 C ATOM 307 CG PRO A 19 13.434 -0.678 -5.596 1.00 8.16 C ATOM 308 CD PRO A 19 12.447 -1.716 -6.076 1.00 7.49 C ATOM 0 HA PRO A 19 10.538 0.056 -4.201 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.023 0.970 -4.221 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.655 -0.609 -3.556 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.705 0.028 -6.381 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.360 -1.124 -5.235 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.640 -2.003 -7.110 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.500 -2.625 -5.478 1.00 7.49 H new ATOM 316 N SER A 20 11.040 1.497 -7.070 1.00 6.80 N ATOM 317 CA SER A 20 10.843 2.689 -7.881 1.00 6.28 C ATOM 318 C SER A 20 9.384 2.797 -8.365 1.00 8.45 C ATOM 319 O SER A 20 9.078 3.568 -9.256 1.00 7.26 O ATOM 320 CB SER A 20 11.873 2.594 -9.088 1.00 8.57 C ATOM 321 OG SER A 20 11.774 1.336 -9.818 1.00 11.13 O ATOM 0 H SER A 20 11.329 0.689 -7.622 1.00 6.80 H new ATOM 0 HA SER A 20 11.026 3.595 -7.303 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.698 3.422 -9.775 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.887 2.707 -8.704 1.00 8.57 H new ATOM 0 HG SER A 20 12.426 1.330 -10.549 1.00 11.13 H new ATOM 327 N ASP A 21 8.479 1.923 -7.936 1.00 7.50 N ATOM 328 CA ASP A 21 7.049 2.119 -8.114 1.00 7.70 C ATOM 329 C ASP A 21 6.394 3.140 -7.207 1.00 7.08 C ATOM 330 O ASP A 21 6.711 3.300 -6.016 1.00 8.11 O ATOM 331 CB ASP A 21 6.408 0.696 -7.945 1.00 11.00 C ATOM 332 CG ASP A 21 6.630 -0.256 -9.114 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.035 0.256 -10.172 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.460 -1.521 -8.987 1.00 18.03 O ATOM 0 H ASP A 21 8.720 1.057 -7.454 1.00 7.50 H new ATOM 0 HA ASP A 21 6.880 2.555 -9.099 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.811 0.238 -7.042 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.335 0.814 -7.791 1.00 11.00 H new ATOM 339 N THR A 22 5.417 3.963 -7.718 1.00 5.37 N ATOM 340 CA THR A 22 4.675 4.835 -6.870 1.00 6.01 C ATOM 341 C THR A 22 3.673 4.146 -5.954 1.00 8.01 C ATOM 342 O THR A 22 3.294 3.001 -6.166 1.00 8.11 O ATOM 343 CB THR A 22 3.834 5.938 -7.603 1.00 8.92 C ATOM 344 OG1 THR A 22 2.981 5.450 -8.638 1.00 10.22 O ATOM 345 CG2 THR A 22 4.743 7.000 -8.165 1.00 9.65 C ATOM 0 H THR A 22 5.162 4.008 -8.704 1.00 5.37 H new ATOM 0 HA THR A 22 5.498 5.277 -6.307 1.00 6.01 H new ATOM 0 HB THR A 22 3.177 6.351 -6.838 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.493 6.199 -9.040 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.146 7.759 -8.671 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.307 7.462 -7.355 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.434 6.548 -8.876 1.00 9.65 H new ATOM 353 N ILE A 23 3.280 4.782 -4.872 1.00 8.32 N ATOM 354 CA ILE A 23 2.358 4.191 -3.964 1.00 9.92 C ATOM 355 C ILE A 23 1.025 3.890 -4.636 1.00 10.01 C ATOM 356 O ILE A 23 0.445 2.830 -4.429 1.00 8.71 O ATOM 357 CB ILE A 23 2.150 5.106 -2.736 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.456 5.488 -1.949 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.156 4.452 -1.777 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.184 4.225 -1.395 1.00 12.30 C ATOM 0 H ILE A 23 3.595 5.716 -4.610 1.00 8.32 H new ATOM 0 HA ILE A 23 2.781 3.244 -3.631 1.00 9.92 H new ATOM 0 HB ILE A 23 1.770 6.045 -3.139 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.130 6.038 -2.606 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.202 6.154 -1.124 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.009 5.097 -0.910 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.203 4.304 -2.286 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.546 3.488 -1.450 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.082 4.529 -0.857 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.519 3.690 -0.717 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.461 3.572 -2.223 1.00 12.30 H new ATOM 372 N GLU A 24 0.523 4.748 -5.499 1.00 9.54 N ATOM 373 CA GLU A 24 -0.670 4.574 -6.326 1.00 11.81 C ATOM 374 C GLU A 24 -0.529 3.283 -7.106 1.00 11.14 C ATOM 375 O GLU A 24 -1.448 2.523 -7.143 1.00 10.62 O ATOM 376 CB GLU A 24 -0.838 5.763 -7.281 1.00 19.24 C ATOM 377 CG GLU A 24 -2.073 5.579 -8.130 1.00 27.76 C ATOM 378 CD GLU A 24 -2.330 6.803 -9.028 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.803 7.947 -8.807 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.160 6.560 -9.956 1.00 34.80 O ATOM 0 H GLU A 24 0.964 5.654 -5.658 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.556 4.528 -5.693 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.914 6.689 -6.711 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.041 5.853 -7.919 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.960 4.689 -8.750 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.936 5.411 -7.486 1.00 27.76 H new ATOM 387 N ASN A 25 0.631 2.948 -7.680 1.00 9.43 N ATOM 388 CA ASN A 25 0.902 1.772 -8.504 1.00 10.96 C ATOM 389 C ASN A 25 0.913 0.514 -7.678 1.00 9.68 C ATOM 390 O ASN A 25 0.400 -0.548 -8.064 1.00 9.33 O ATOM 391 CB ASN A 25 2.214 1.958 -9.305 1.00 16.78 C ATOM 392 CG ASN A 25 2.242 1.133 -10.612 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.648 1.562 -11.607 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.039 0.062 -10.602 1.00 24.70 N ATOM 0 H ASN A 25 1.460 3.533 -7.572 1.00 9.43 H new ATOM 0 HA ASN A 25 0.092 1.664 -9.225 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.341 3.014 -9.545 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.059 1.669 -8.680 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.193 -0.467 -11.460 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.494 -0.227 -9.736 1.00 24.70 H new ATOM 401 N VAL A 26 1.478 0.560 -6.479 1.00 6.52 N ATOM 402 CA VAL A 26 1.367 -0.520 -5.435 1.00 5.53 C ATOM 403 C VAL A 26 -0.032 -0.827 -5.066 1.00 4.42 C ATOM 404 O VAL A 26 -0.460 -1.959 -4.865 1.00 3.40 O ATOM 405 CB VAL A 26 2.185 -0.221 -4.265 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.199 -1.359 -3.230 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.645 -0.084 -4.710 1.00 8.12 C ATOM 0 H VAL A 26 2.043 1.352 -6.172 1.00 6.52 H new ATOM 0 HA VAL A 26 1.763 -1.428 -5.891 1.00 5.53 H new ATOM 0 HB VAL A 26 1.762 0.681 -3.822 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.825 -1.074 -2.384 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.183 -1.547 -2.882 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.599 -2.263 -3.689 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.269 0.140 -3.845 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.976 -1.018 -5.165 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.729 0.724 -5.437 1.00 8.12 H new ATOM 417 N LYS A 27 -0.908 0.250 -4.944 1.00 2.64 N ATOM 418 CA LYS A 27 -2.319 0.109 -4.597 1.00 4.14 C ATOM 419 C LYS A 27 -3.123 -0.553 -5.752 1.00 5.58 C ATOM 420 O LYS A 27 -3.970 -1.456 -5.504 1.00 4.11 O ATOM 421 CB LYS A 27 -3.017 1.384 -4.163 1.00 3.97 C ATOM 422 CG LYS A 27 -2.392 2.082 -2.950 1.00 7.45 C ATOM 423 CD LYS A 27 -3.294 3.149 -2.370 1.00 9.02 C ATOM 424 CE LYS A 27 -3.468 4.263 -3.342 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.289 5.301 -2.711 1.00 15.47 N ATOM 0 H LYS A 27 -0.620 1.218 -5.090 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.306 -0.537 -3.719 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.023 2.081 -5.001 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.057 1.152 -3.934 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.170 1.341 -2.182 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.443 2.532 -3.242 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.264 2.719 -2.122 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.868 3.530 -1.442 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.499 4.669 -3.631 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.947 3.901 -4.252 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -5.065 5.567 -3.351 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.684 4.937 -1.820 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.701 6.136 -2.514 1.00 15.47 H new ATOM 439 N ALA A 28 -2.762 -0.254 -7.064 1.00 6.61 N ATOM 440 CA ALA A 28 -3.188 -0.944 -8.255 1.00 7.74 C ATOM 441 C ALA A 28 -2.873 -2.446 -8.331 1.00 9.17 C ATOM 442 O ALA A 28 -3.606 -3.280 -8.846 1.00 11.45 O ATOM 443 CB ALA A 28 -2.739 -0.195 -9.527 1.00 7.68 C ATOM 0 H ALA A 28 -2.134 0.521 -7.277 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.276 -0.926 -8.190 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.076 -0.741 -10.408 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.172 0.805 -9.532 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.652 -0.120 -9.540 1.00 7.68 H new ATOM 449 N LYS A 29 -1.711 -2.759 -7.759 1.00 8.96 N ATOM 450 CA LYS A 29 -1.342 -4.145 -7.541 1.00 7.90 C ATOM 451 C LYS A 29 -2.297 -4.869 -6.632 1.00 6.92 C ATOM 452 O LYS A 29 -2.705 -6.013 -6.899 1.00 6.87 O ATOM 453 CB LYS A 29 0.154 -4.325 -7.198 1.00 10.28 C ATOM 454 CG LYS A 29 0.657 -5.780 -7.230 1.00 14.94 C ATOM 455 CD LYS A 29 2.127 -6.063 -6.743 1.00 19.69 C ATOM 456 CE LYS A 29 3.148 -5.824 -7.868 1.00 22.63 C ATOM 457 NZ LYS A 29 3.388 -6.987 -8.688 1.00 24.98 N ATOM 0 H LYS A 29 -1.021 -2.077 -7.444 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.454 -4.652 -8.499 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.746 -3.736 -7.899 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.336 -3.915 -6.204 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.018 -6.381 -6.621 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.569 -6.142 -8.254 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.361 -5.419 -5.895 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.204 -7.092 -6.393 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.794 -5.010 -8.501 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.091 -5.499 -7.428 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.333 -7.369 -8.481 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.670 -7.711 -8.483 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.334 -6.721 -9.692 1.00 24.98 H new ATOM 471 N ILE A 30 -2.713 -4.202 -5.486 1.00 4.57 N ATOM 472 CA ILE A 30 -3.764 -4.733 -4.601 1.00 5.58 C ATOM 473 C ILE A 30 -5.122 -4.779 -5.257 1.00 7.26 C ATOM 474 O ILE A 30 -5.852 -5.731 -5.031 1.00 9.46 O ATOM 475 CB ILE A 30 -3.694 -4.084 -3.196 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.346 -4.386 -2.460 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.872 -4.594 -2.358 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.112 -3.441 -1.299 1.00 2.00 C ATOM 0 H ILE A 30 -2.325 -3.309 -5.181 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.565 -5.789 -4.420 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.748 -3.003 -3.322 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.353 -5.413 -2.096 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.520 -4.304 -3.167 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.834 -4.144 -1.366 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.809 -4.322 -2.844 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.811 -5.679 -2.267 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.166 -3.685 -0.816 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.078 -2.415 -1.666 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.924 -3.542 -0.579 1.00 2.00 H new ATOM 490 N GLN A 31 -5.466 -3.806 -6.115 1.00 7.06 N ATOM 491 CA GLN A 31 -6.685 -3.877 -6.899 1.00 8.67 C ATOM 492 C GLN A 31 -6.869 -5.135 -7.725 1.00 10.90 C ATOM 493 O GLN A 31 -7.901 -5.773 -7.650 1.00 9.63 O ATOM 494 CB GLN A 31 -6.821 -2.699 -7.870 1.00 9.12 C ATOM 495 CG GLN A 31 -8.340 -2.494 -8.404 1.00 10.76 C ATOM 496 CD GLN A 31 -8.579 -1.365 -9.381 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.708 -0.596 -9.872 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.868 -1.142 -9.758 1.00 14.76 N ATOM 0 H GLN A 31 -4.910 -2.966 -6.276 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.451 -3.862 -6.123 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.489 -1.786 -7.375 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.160 -2.858 -8.722 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.661 -3.423 -8.875 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.984 -2.335 -7.539 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.615 -1.732 -9.393 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.086 -0.385 -10.405 1.00 14.76 H new ATOM 507 N ASP A 32 -5.754 -5.493 -8.405 1.00 10.93 N ATOM 508 CA ASP A 32 -5.660 -6.701 -9.178 1.00 14.01 C ATOM 509 C ASP A 32 -5.823 -7.997 -8.294 1.00 14.04 C ATOM 510 O ASP A 32 -6.463 -8.953 -8.747 1.00 13.39 O ATOM 511 CB ASP A 32 -4.301 -6.649 -9.957 1.00 18.01 C ATOM 512 CG ASP A 32 -4.162 -7.715 -10.953 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.980 -7.785 -11.955 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.294 -8.556 -10.749 1.00 26.29 O ATOM 0 H ASP A 32 -4.903 -4.931 -8.417 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.485 -6.762 -9.888 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.212 -5.683 -10.454 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.479 -6.718 -9.244 1.00 18.01 H new ATOM 519 N LYS A 33 -5.164 -8.053 -7.091 1.00 14.22 N ATOM 520 CA LYS A 33 -5.316 -9.146 -6.151 1.00 14.00 C ATOM 521 C LYS A 33 -6.653 -9.179 -5.383 1.00 12.37 C ATOM 522 O LYS A 33 -7.297 -10.208 -5.334 1.00 12.17 O ATOM 523 CB LYS A 33 -4.140 -8.991 -5.145 1.00 18.62 C ATOM 524 CG LYS A 33 -3.931 -10.095 -4.112 1.00 24.00 C ATOM 525 CD LYS A 33 -2.543 -10.211 -3.471 1.00 27.61 C ATOM 526 CE LYS A 33 -1.282 -10.320 -4.332 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.325 -11.487 -5.198 1.00 30.06 N ATOM 0 H LYS A 33 -4.520 -7.328 -6.774 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.309 -10.082 -6.709 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.219 -8.893 -5.720 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.282 -8.053 -4.608 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.659 -9.951 -3.314 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.163 -11.048 -4.587 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.415 -9.341 -2.827 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.563 -11.087 -2.823 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.175 -9.420 -4.938 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.405 -10.376 -3.688 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.455 -11.529 -5.767 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.402 -12.347 -4.618 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.149 -11.421 -5.829 1.00 30.06 H new ATOM 541 N GLU A 34 -7.149 -8.034 -4.851 1.00 10.11 N ATOM 542 CA GLU A 34 -8.217 -8.056 -3.817 1.00 10.07 C ATOM 543 C GLU A 34 -9.480 -7.336 -4.176 1.00 9.32 C ATOM 544 O GLU A 34 -10.409 -7.145 -3.373 1.00 11.61 O ATOM 545 CB GLU A 34 -7.751 -7.425 -2.555 1.00 14.77 C ATOM 546 CG GLU A 34 -6.577 -8.190 -1.839 1.00 18.75 C ATOM 547 CD GLU A 34 -7.105 -9.590 -1.291 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.905 -9.638 -0.382 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.561 -10.608 -1.793 1.00 25.19 O ATOM 0 H GLU A 34 -6.835 -7.100 -5.114 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.435 -9.119 -3.718 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.427 -6.407 -2.771 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.593 -7.352 -1.867 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.754 -8.348 -2.536 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.187 -7.590 -1.017 1.00 18.75 H new ATOM 556 N GLY A 35 -9.593 -6.772 -5.388 1.00 7.22 N ATOM 557 CA GLY A 35 -10.791 -6.012 -5.698 1.00 6.29 C ATOM 558 C GLY A 35 -10.950 -4.623 -5.130 1.00 6.93 C ATOM 559 O GLY A 35 -12.031 -4.074 -4.878 1.00 7.41 O ATOM 0 H GLY A 35 -8.898 -6.828 -6.133 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.857 -5.932 -6.783 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.647 -6.601 -5.369 1.00 6.29 H new ATOM 563 N ILE A 36 -9.841 -3.940 -4.727 1.00 5.86 N ATOM 564 CA ILE A 36 -9.940 -2.578 -4.119 1.00 6.07 C ATOM 565 C ILE A 36 -9.372 -1.489 -5.042 1.00 6.36 C ATOM 566 O ILE A 36 -8.165 -1.518 -5.204 1.00 6.18 O ATOM 567 CB ILE A 36 -9.178 -2.573 -2.772 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.419 -3.892 -1.922 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.583 -1.248 -2.015 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.496 -4.024 -0.746 1.00 9.49 C ATOM 0 H ILE A 36 -8.889 -4.298 -4.808 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.995 -2.352 -3.963 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.102 -2.579 -2.945 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.450 -3.903 -1.568 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.295 -4.760 -2.570 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.066 -1.204 -1.056 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.303 -0.384 -2.618 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.660 -1.240 -1.847 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.718 -4.948 -0.211 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.463 -4.045 -1.094 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.636 -3.175 -0.077 1.00 9.49 H new ATOM 582 N PRO A 37 -10.199 -0.609 -5.614 1.00 8.65 N ATOM 583 CA PRO A 37 -9.708 0.600 -6.288 1.00 9.18 C ATOM 584 C PRO A 37 -8.764 1.511 -5.614 1.00 9.85 C ATOM 585 O PRO A 37 -9.073 1.862 -4.485 1.00 8.51 O ATOM 586 CB PRO A 37 -10.989 1.389 -6.683 1.00 11.42 C ATOM 587 CG PRO A 37 -12.055 0.239 -6.758 1.00 9.27 C ATOM 588 CD PRO A 37 -11.657 -0.631 -5.558 1.00 8.33 C ATOM 0 HA PRO A 37 -9.076 0.232 -7.096 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.251 2.143 -5.941 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.875 1.905 -7.636 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.073 0.618 -6.669 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.000 -0.310 -7.698 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.032 -0.222 -4.620 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.050 -1.644 -5.644 1.00 8.33 H new ATOM 596 N PRO A 38 -7.535 1.936 -6.101 1.00 8.71 N ATOM 597 CA PRO A 38 -6.594 2.926 -5.505 1.00 9.08 C ATOM 598 C PRO A 38 -7.194 4.179 -4.902 1.00 9.28 C ATOM 599 O PRO A 38 -6.813 4.470 -3.768 1.00 6.50 O ATOM 600 CB PRO A 38 -5.522 3.228 -6.697 1.00 10.31 C ATOM 601 CG PRO A 38 -5.614 1.965 -7.494 1.00 10.81 C ATOM 602 CD PRO A 38 -7.001 1.388 -7.361 1.00 12.00 C ATOM 0 HA PRO A 38 -6.141 2.500 -4.610 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.794 4.106 -7.283 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.517 3.400 -6.313 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.391 2.166 -8.542 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.874 1.246 -7.143 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.626 1.670 -8.208 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.972 0.299 -7.334 1.00 12.00 H new ATOM 610 N ASP A 39 -8.185 4.788 -5.549 1.00 11.20 N ATOM 611 CA ASP A 39 -8.816 6.034 -5.080 1.00 14.96 C ATOM 612 C ASP A 39 -9.769 5.667 -3.923 1.00 13.99 C ATOM 613 O ASP A 39 -10.219 6.607 -3.220 1.00 13.75 O ATOM 614 CB ASP A 39 -9.748 6.687 -6.077 1.00 24.16 C ATOM 615 CG ASP A 39 -9.015 6.899 -7.459 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.943 5.945 -8.298 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.514 8.048 -7.681 1.00 34.22 O ATOM 0 H ASP A 39 -8.580 4.434 -6.420 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.989 6.704 -4.846 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.632 6.066 -6.219 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.091 7.646 -5.689 1.00 24.16 H new ATOM 622 N GLN A 40 -10.129 4.420 -3.660 1.00 11.60 N ATOM 623 CA GLN A 40 -10.732 4.086 -2.368 1.00 10.76 C ATOM 624 C GLN A 40 -9.764 3.607 -1.238 1.00 8.01 C ATOM 625 O GLN A 40 -10.092 3.772 -0.067 1.00 8.96 O ATOM 626 CB GLN A 40 -11.708 2.950 -2.509 1.00 11.14 C ATOM 627 CG GLN A 40 -12.985 3.298 -3.312 1.00 14.85 C ATOM 628 CD GLN A 40 -14.106 2.249 -3.210 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.888 1.046 -2.976 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.344 2.738 -3.428 1.00 18.16 N ATOM 0 H GLN A 40 -10.020 3.636 -4.303 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.170 5.041 -2.078 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.205 2.114 -2.995 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.000 2.613 -1.514 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.369 4.257 -2.963 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.717 3.424 -4.361 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.474 3.732 -3.616 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.150 2.114 -3.405 1.00 18.16 H new ATOM 639 N GLN A 41 -8.615 2.998 -1.672 1.00 6.52 N ATOM 640 CA GLN A 41 -7.621 2.420 -0.813 1.00 3.87 C ATOM 641 C GLN A 41 -6.566 3.397 -0.311 1.00 4.79 C ATOM 642 O GLN A 41 -6.074 4.274 -1.011 1.00 6.34 O ATOM 643 CB GLN A 41 -7.028 1.414 -1.793 1.00 4.20 C ATOM 644 CG GLN A 41 -6.053 0.461 -1.110 1.00 3.20 C ATOM 645 CD GLN A 41 -5.274 -0.437 -2.143 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.118 -0.704 -1.795 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.939 -0.719 -3.305 1.00 7.13 N ATOM 0 H GLN A 41 -8.383 2.912 -2.662 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.020 2.026 0.122 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -7.832 0.841 -2.256 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -6.514 1.947 -2.593 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -5.339 1.036 -0.520 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -6.599 -0.178 -0.415 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.906 -0.418 -3.425 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.468 -1.230 -4.051 1.00 7.13 H new ATOM 656 N ARG A 42 -6.162 3.228 0.942 1.00 5.73 N ATOM 657 CA ARG A 42 -5.092 3.959 1.627 1.00 6.97 C ATOM 658 C ARG A 42 -4.215 2.911 2.268 1.00 7.15 C ATOM 659 O ARG A 42 -4.684 1.798 2.577 1.00 7.33 O ATOM 660 CB ARG A 42 -5.678 4.882 2.676 1.00 13.23 C ATOM 661 CG ARG A 42 -6.349 6.091 1.983 1.00 21.27 C ATOM 662 CD ARG A 42 -6.434 7.324 2.822 1.00 26.14 C ATOM 663 NE ARG A 42 -6.671 8.475 1.847 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.763 9.791 2.205 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.830 10.152 3.477 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.789 10.738 1.284 1.00 36.39 N ATOM 0 H ARG A 42 -6.598 2.534 1.549 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.522 4.580 0.936 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.408 4.345 3.281 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.895 5.225 3.352 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.795 6.324 1.074 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.356 5.805 1.679 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.247 7.250 3.545 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.516 7.475 3.389 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.768 8.245 0.858 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.813 9.443 4.210 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.898 11.139 3.724 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.740 10.490 0.296 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.858 11.717 1.561 1.00 36.39 H new ATOM 680 N LEU A 43 -2.903 3.257 2.398 1.00 4.65 N ATOM 681 CA LEU A 43 -1.825 2.414 2.943 1.00 3.51 C ATOM 682 C LEU A 43 -1.095 3.200 4.068 1.00 5.56 C ATOM 683 O LEU A 43 -0.820 4.378 3.867 1.00 4.19 O ATOM 684 CB LEU A 43 -0.838 1.923 1.830 1.00 3.74 C ATOM 685 CG LEU A 43 -1.445 0.913 0.840 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.545 0.480 -0.296 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.070 -0.341 1.463 1.00 6.41 C ATOM 0 H LEU A 43 -2.564 4.175 2.110 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.261 1.509 3.366 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.479 2.788 1.273 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.030 1.468 2.307 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.245 1.529 0.429 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.075 -0.231 -0.930 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.260 1.351 -0.887 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.350 0.008 0.109 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.466 -0.981 0.674 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.311 -0.885 2.025 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.878 -0.050 2.134 1.00 6.41 H new ATOM 699 N ILE A 44 -0.840 2.530 5.281 1.00 4.58 N ATOM 700 CA ILE A 44 -0.215 3.056 6.493 1.00 5.55 C ATOM 701 C ILE A 44 0.930 2.188 6.772 1.00 5.46 C ATOM 702 O ILE A 44 0.766 1.010 6.807 1.00 6.04 O ATOM 703 CB ILE A 44 -1.163 3.120 7.709 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.351 4.005 7.221 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.387 3.798 8.890 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.398 4.348 8.361 1.00 13.90 C ATOM 0 H ILE A 44 -1.100 1.550 5.395 1.00 4.58 H new ATOM 0 HA ILE A 44 0.080 4.092 6.323 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.515 2.150 8.060 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.956 4.934 6.811 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.866 3.491 6.409 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.035 3.857 9.765 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.497 3.207 9.132 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.083 4.803 8.596 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.196 4.966 7.949 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.822 3.425 8.756 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.898 4.890 9.164 1.00 13.90 H new ATOM 718 N PHE A 45 2.135 2.662 7.024 1.00 6.75 N ATOM 719 CA PHE A 45 3.202 1.859 7.554 1.00 4.70 C ATOM 720 C PHE A 45 3.839 2.646 8.667 1.00 6.34 C ATOM 721 O PHE A 45 4.116 3.802 8.490 1.00 5.45 O ATOM 722 CB PHE A 45 4.201 1.577 6.404 1.00 5.51 C ATOM 723 CG PHE A 45 5.541 1.119 6.808 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.716 -0.176 7.390 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.620 1.987 6.711 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.003 -0.549 7.784 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.835 1.640 7.311 1.00 6.64 C ATOM 728 CZ PHE A 45 8.086 0.294 7.694 1.00 6.84 C ATOM 0 H PHE A 45 2.397 3.634 6.861 1.00 6.75 H new ATOM 0 HA PHE A 45 2.856 0.903 7.948 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.765 0.824 5.747 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.313 2.488 5.815 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.878 -0.845 7.521 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.522 2.921 6.178 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.154 -1.544 8.177 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.585 2.397 7.484 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.087 -0.053 7.906 1.00 6.84 H new ATOM 738 N ALA A 46 4.026 2.022 9.861 1.00 6.53 N ATOM 739 CA ALA A 46 4.563 2.589 11.084 1.00 7.15 C ATOM 740 C ALA A 46 4.078 4.002 11.491 1.00 9.00 C ATOM 741 O ALA A 46 4.867 4.831 11.918 1.00 11.15 O ATOM 742 CB ALA A 46 6.110 2.455 11.118 1.00 8.99 C ATOM 0 H ALA A 46 3.781 1.039 9.981 1.00 6.53 H new ATOM 0 HA ALA A 46 4.123 1.976 11.870 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.492 2.886 12.043 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.385 1.401 11.068 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.540 2.983 10.267 1.00 8.99 H new ATOM 748 N GLY A 47 2.715 4.151 11.503 1.00 9.35 N ATOM 749 CA GLY A 47 2.047 5.415 11.858 1.00 11.68 C ATOM 750 C GLY A 47 1.947 6.428 10.692 1.00 11.14 C ATOM 751 O GLY A 47 1.244 7.408 10.858 1.00 13.93 O ATOM 0 H GLY A 47 2.069 3.398 11.267 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.043 5.193 12.219 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.587 5.879 12.683 1.00 11.68 H new ATOM 755 N LYS A 48 2.514 6.090 9.498 1.00 10.47 N ATOM 756 CA LYS A 48 2.532 6.994 8.333 1.00 8.82 C ATOM 757 C LYS A 48 1.735 6.471 7.209 1.00 7.68 C ATOM 758 O LYS A 48 2.083 5.449 6.588 1.00 6.47 O ATOM 759 CB LYS A 48 4.049 7.066 7.841 1.00 9.74 C ATOM 760 CG LYS A 48 4.951 7.725 8.893 1.00 14.14 C ATOM 761 CD LYS A 48 6.413 7.872 8.412 1.00 16.32 C ATOM 762 CE LYS A 48 7.003 6.518 7.899 1.00 20.04 C ATOM 763 NZ LYS A 48 8.471 6.389 7.741 1.00 23.92 N ATOM 0 H LYS A 48 2.964 5.191 9.327 1.00 10.47 H new ATOM 0 HA LYS A 48 2.117 7.958 8.626 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.412 6.060 7.628 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.104 7.629 6.909 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.554 8.709 9.143 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.931 7.132 9.807 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.459 8.612 7.613 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.027 8.248 9.230 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.676 5.736 8.584 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.548 6.306 6.932 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.700 5.436 7.394 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.810 7.097 7.059 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.934 6.544 8.659 1.00 23.92 H new ATOM 777 N GLN A 49 0.678 7.213 6.959 1.00 8.89 N ATOM 778 CA GLN A 49 -0.183 7.095 5.781 1.00 7.18 C ATOM 779 C GLN A 49 0.620 7.474 4.515 1.00 8.23 C ATOM 780 O GLN A 49 1.231 8.547 4.457 1.00 9.70 O ATOM 781 CB GLN A 49 -1.466 7.991 6.015 1.00 11.67 C ATOM 782 CG GLN A 49 -2.699 7.533 5.141 1.00 15.82 C ATOM 783 CD GLN A 49 -3.924 8.392 5.588 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.802 7.810 6.266 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.107 9.678 5.143 1.00 20.67 N ATOM 0 H GLN A 49 0.374 7.951 7.594 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.524 6.071 5.627 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.741 7.956 7.069 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.227 9.029 5.782 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.494 7.678 4.080 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.900 6.471 5.285 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.380 10.135 4.592 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.969 10.176 5.363 1.00 20.67 H new ATOM 794 N LEU A 50 0.673 6.611 3.488 1.00 6.51 N ATOM 795 CA LEU A 50 1.623 6.743 2.424 1.00 7.41 C ATOM 796 C LEU A 50 0.941 7.521 1.337 1.00 8.27 C ATOM 797 O LEU A 50 -0.148 7.121 0.855 1.00 8.34 O ATOM 798 CB LEU A 50 2.192 5.380 1.895 1.00 7.13 C ATOM 799 CG LEU A 50 2.714 4.441 2.985 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.199 3.093 2.323 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.848 5.064 3.749 1.00 9.11 C ATOM 0 H LEU A 50 0.049 5.810 3.392 1.00 6.51 H new ATOM 0 HA LEU A 50 2.507 7.261 2.797 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.409 4.867 1.336 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.001 5.587 1.194 1.00 7.13 H new ATOM 0 HG LEU A 50 1.903 4.245 3.686 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.572 2.421 3.096 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.364 2.621 1.804 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.996 3.304 1.611 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.195 4.371 4.515 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.667 5.289 3.066 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.506 5.985 4.221 1.00 9.11 H new ATOM 813 N GLU A 51 1.588 8.582 0.799 1.00 9.43 N ATOM 814 CA GLU A 51 1.014 9.431 -0.261 1.00 11.90 C ATOM 815 C GLU A 51 1.177 8.877 -1.632 1.00 11.49 C ATOM 816 O GLU A 51 2.297 8.609 -2.060 1.00 9.88 O ATOM 817 CB GLU A 51 1.371 10.945 -0.198 1.00 16.56 C ATOM 818 CG GLU A 51 1.036 11.508 1.153 1.00 26.06 C ATOM 819 CD GLU A 51 1.145 13.027 1.223 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.154 13.660 0.757 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.177 13.563 1.690 1.00 33.44 O ATOM 0 H GLU A 51 2.522 8.870 1.091 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.049 9.396 -0.024 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.433 11.083 -0.403 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.824 11.486 -0.970 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.022 11.212 1.420 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.702 11.069 1.896 1.00 26.06 H new ATOM 828 N ASP A 52 0.075 8.808 -2.402 1.00 12.71 N ATOM 829 CA ASP A 52 -0.142 8.212 -3.667 1.00 16.56 C ATOM 830 C ASP A 52 0.940 8.461 -4.826 1.00 15.83 C ATOM 831 O ASP A 52 1.302 7.512 -5.527 1.00 17.21 O ATOM 832 CB ASP A 52 -1.493 8.697 -4.230 1.00 21.05 C ATOM 833 CG ASP A 52 -2.736 8.576 -3.285 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.847 7.497 -2.643 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.541 9.536 -3.129 1.00 25.82 O ATOM 0 H ASP A 52 -0.787 9.242 -2.072 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.084 7.148 -3.436 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.385 9.743 -4.518 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.703 8.136 -5.141 1.00 21.05 H new ATOM 840 N GLY A 53 1.373 9.729 -4.937 1.00 15.00 N ATOM 841 CA GLY A 53 2.284 10.160 -5.994 1.00 11.77 C ATOM 842 C GLY A 53 3.791 10.000 -5.577 1.00 11.10 C ATOM 843 O GLY A 53 4.708 10.248 -6.364 1.00 11.25 O ATOM 0 H GLY A 53 1.099 10.475 -4.297 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.094 9.578 -6.896 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.085 11.203 -6.240 1.00 11.77 H new ATOM 847 N ARG A 54 4.051 9.533 -4.306 1.00 8.53 N ATOM 848 CA ARG A 54 5.335 9.251 -3.803 1.00 9.05 C ATOM 849 C ARG A 54 5.714 7.826 -4.195 1.00 8.96 C ATOM 850 O ARG A 54 4.896 7.095 -4.737 1.00 11.60 O ATOM 851 CB ARG A 54 5.408 9.470 -2.262 1.00 7.97 C ATOM 852 CG ARG A 54 5.172 10.879 -1.803 1.00 9.62 C ATOM 853 CD ARG A 54 5.329 11.173 -0.316 1.00 12.20 C ATOM 854 NE ARG A 54 6.800 11.114 -0.089 1.00 18.23 N ATOM 855 CZ ARG A 54 7.378 11.054 1.123 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.734 11.201 2.288 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.686 10.914 1.132 1.00 23.38 N ATOM 0 H ARG A 54 3.310 9.356 -3.627 1.00 8.53 H new ATOM 0 HA ARG A 54 6.055 9.943 -4.240 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.673 8.822 -1.784 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.390 9.151 -1.912 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.857 11.529 -2.348 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.161 11.163 -2.097 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.925 12.152 -0.058 1.00 12.20 H new ATOM 0 HD3 ARG A 54 4.802 10.439 0.294 1.00 12.20 H new ATOM 0 HE ARG A 54 7.409 11.119 -0.907 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.729 11.373 2.297 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.249 11.141 3.166 1.00 25.50 H new ATOM 0 HH21 ARG A 54 9.199 10.858 0.252 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.187 10.862 2.019 1.00 23.38 H new ATOM 871 N THR A 55 6.929 7.387 -3.860 1.00 9.05 N ATOM 872 CA THR A 55 7.382 6.052 -4.201 1.00 9.03 C ATOM 873 C THR A 55 7.856 5.377 -2.899 1.00 8.15 C ATOM 874 O THR A 55 8.127 6.025 -1.903 1.00 5.91 O ATOM 875 CB THR A 55 8.503 6.064 -5.257 1.00 11.15 C ATOM 876 OG1 THR A 55 9.653 6.793 -4.849 1.00 11.95 O ATOM 877 CG2 THR A 55 8.093 6.597 -6.586 1.00 11.71 C ATOM 0 H THR A 55 7.614 7.945 -3.351 1.00 9.05 H new ATOM 0 HA THR A 55 6.560 5.494 -4.649 1.00 9.03 H new ATOM 0 HB THR A 55 8.741 5.005 -5.356 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.328 6.763 -5.559 1.00 11.95 H new ATOM 0 HG21 THR A 55 8.943 6.569 -7.267 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.285 5.987 -6.989 1.00 11.71 H new ATOM 0 HG23 THR A 55 7.751 7.626 -6.476 1.00 11.71 H new ATOM 885 N LEU A 56 8.051 4.041 -3.025 1.00 6.91 N ATOM 886 CA LEU A 56 8.705 3.233 -2.032 1.00 8.29 C ATOM 887 C LEU A 56 10.124 3.578 -1.570 1.00 8.05 C ATOM 888 O LEU A 56 10.433 3.737 -0.384 1.00 10.17 O ATOM 889 CB LEU A 56 8.644 1.783 -2.603 1.00 6.60 C ATOM 890 CG LEU A 56 7.209 1.307 -2.905 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.320 -0.044 -3.648 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.395 1.281 -1.620 1.00 8.64 C ATOM 0 H LEU A 56 7.744 3.511 -3.841 1.00 6.91 H new ATOM 0 HA LEU A 56 8.171 3.409 -1.098 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.235 1.735 -3.517 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.104 1.099 -1.889 1.00 6.60 H new ATOM 0 HG LEU A 56 6.663 1.987 -3.559 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.322 -0.415 -3.880 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.880 0.094 -4.573 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.837 -0.766 -3.016 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.382 0.944 -1.838 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.859 0.598 -0.909 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.360 2.282 -1.191 1.00 8.64 H new ATOM 904 N SER A 57 10.979 4.026 -2.520 1.00 8.92 N ATOM 905 CA SER A 57 12.257 4.564 -2.133 1.00 9.00 C ATOM 906 C SER A 57 12.268 5.968 -1.474 1.00 9.44 C ATOM 907 O SER A 57 13.161 6.303 -0.702 1.00 10.91 O ATOM 908 CB SER A 57 13.294 4.687 -3.320 1.00 10.32 C ATOM 909 OG SER A 57 12.818 5.487 -4.372 1.00 13.59 O ATOM 0 H SER A 57 10.795 4.017 -3.523 1.00 8.92 H new ATOM 0 HA SER A 57 12.535 3.810 -1.397 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.226 5.107 -2.942 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.525 3.692 -3.701 1.00 10.32 H new ATOM 0 HG SER A 57 13.495 5.534 -5.080 1.00 13.59 H new ATOM 915 N ASP A 58 11.344 6.867 -1.794 1.00 9.11 N ATOM 916 CA ASP A 58 11.093 8.155 -1.132 1.00 7.91 C ATOM 917 C ASP A 58 10.598 7.995 0.255 1.00 9.12 C ATOM 918 O ASP A 58 10.755 8.851 1.080 1.00 8.61 O ATOM 919 CB ASP A 58 10.015 8.971 -1.955 1.00 8.41 C ATOM 920 CG ASP A 58 9.835 10.435 -1.667 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.702 11.029 -1.049 1.00 11.70 O ATOM 922 OD2 ASP A 58 8.788 11.042 -2.066 1.00 10.05 O ATOM 0 H ASP A 58 10.705 6.711 -2.573 1.00 9.11 H new ATOM 0 HA ASP A 58 12.045 8.684 -1.094 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.263 8.871 -3.012 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.051 8.485 -1.807 1.00 8.41 H new ATOM 927 N TYR A 59 9.933 6.847 0.639 1.00 7.97 N ATOM 928 CA TYR A 59 9.534 6.610 2.046 1.00 8.45 C ATOM 929 C TYR A 59 10.487 5.688 2.705 1.00 10.98 C ATOM 930 O TYR A 59 10.281 5.437 3.899 1.00 12.95 O ATOM 931 CB TYR A 59 8.149 5.903 2.133 1.00 7.94 C ATOM 932 CG TYR A 59 7.020 6.854 2.177 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.769 7.534 3.350 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.125 7.002 1.122 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.618 8.310 3.577 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.030 7.832 1.257 1.00 6.52 C ATOM 937 CZ TYR A 59 4.811 8.496 2.494 1.00 6.76 C ATOM 938 OH TYR A 59 3.820 9.495 2.693 1.00 7.63 O ATOM 0 H TYR A 59 9.675 6.098 -0.003 1.00 7.97 H new ATOM 0 HA TYR A 59 9.509 7.589 2.525 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.029 5.244 1.273 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.123 5.274 3.023 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.500 7.467 4.142 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.287 6.468 0.198 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.389 8.731 4.545 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.348 7.975 0.432 1.00 6.52 H new ATOM 0 HH TYR A 59 4.157 10.170 3.319 1.00 7.63 H new ATOM 948 N ASN A 60 11.535 5.248 1.934 1.00 12.38 N ATOM 949 CA ASN A 60 12.564 4.353 2.448 1.00 13.94 C ATOM 950 C ASN A 60 12.111 2.984 2.962 1.00 14.16 C ATOM 951 O ASN A 60 12.536 2.492 3.990 1.00 14.26 O ATOM 952 CB ASN A 60 13.388 5.122 3.533 1.00 19.23 C ATOM 953 CG ASN A 60 14.844 4.590 3.681 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.525 4.579 2.652 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.321 4.144 4.875 1.00 24.09 N ATOM 0 H ASN A 60 11.666 5.513 0.958 1.00 12.38 H new ATOM 0 HA ASN A 60 13.171 4.083 1.584 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.418 6.181 3.276 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.878 5.042 4.493 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.273 3.784 4.942 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.726 4.170 5.703 1.00 24.09 H new ATOM 962 N ILE A 61 11.168 2.403 2.185 1.00 11.08 N ATOM 963 CA ILE A 61 10.620 1.068 2.497 1.00 11.78 C ATOM 964 C ILE A 61 11.726 0.084 2.227 1.00 13.74 C ATOM 965 O ILE A 61 12.304 0.061 1.169 1.00 14.60 O ATOM 966 CB ILE A 61 9.356 0.805 1.685 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.257 1.879 1.837 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.783 -0.576 1.800 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.677 1.966 3.334 1.00 11.42 C ATOM 0 H ILE A 61 10.776 2.834 1.348 1.00 11.08 H new ATOM 0 HA ILE A 61 10.307 0.980 3.537 1.00 11.78 H new ATOM 0 HB ILE A 61 9.737 0.881 0.667 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.662 2.850 1.552 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.442 1.659 1.148 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.888 -0.651 1.182 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.519 -1.305 1.462 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.524 -0.777 2.840 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.908 2.737 3.382 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.245 1.005 3.613 1.00 11.42 H new ATOM 0 HD13 ILE A 61 8.484 2.215 4.023 1.00 11.42 H new ATOM 981 N GLN A 62 12.034 -0.703 3.256 1.00 13.97 N ATOM 982 CA GLN A 62 12.994 -1.805 3.224 1.00 15.52 C ATOM 983 C GLN A 62 12.312 -3.184 3.013 1.00 13.94 C ATOM 984 O GLN A 62 11.096 -3.229 3.189 1.00 12.15 O ATOM 985 CB GLN A 62 13.815 -1.785 4.495 1.00 19.53 C ATOM 986 CG GLN A 62 14.735 -0.479 4.637 1.00 26.38 C ATOM 987 CD GLN A 62 15.538 -0.451 5.930 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.233 -1.386 6.329 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.497 0.743 6.602 1.00 32.71 N ATOM 0 H GLN A 62 11.604 -0.585 4.173 1.00 13.97 H new ATOM 0 HA GLN A 62 13.649 -1.662 2.365 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.145 -1.844 5.353 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.448 -2.672 4.524 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.420 -0.431 3.790 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.105 0.409 4.589 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.914 1.504 6.254 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.049 0.870 7.450 1.00 32.71 H new ATOM 998 N LYS A 63 13.019 -4.220 2.602 1.00 11.73 N ATOM 999 CA LYS A 63 12.464 -5.503 2.238 1.00 11.97 C ATOM 1000 C LYS A 63 11.796 -6.194 3.494 1.00 10.41 C ATOM 1001 O LYS A 63 12.240 -6.169 4.599 1.00 9.59 O ATOM 1002 CB LYS A 63 13.539 -6.523 1.679 1.00 13.73 C ATOM 1003 CG LYS A 63 14.652 -6.993 2.647 1.00 16.98 C ATOM 1004 CD LYS A 63 15.829 -7.751 2.084 1.00 20.19 C ATOM 1005 CE LYS A 63 16.935 -8.091 3.102 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.059 -8.748 2.433 1.00 25.97 N ATOM 0 H LYS A 63 14.034 -4.186 2.510 1.00 11.73 H new ATOM 0 HA LYS A 63 11.739 -5.285 1.454 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.010 -7.406 1.321 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.018 -6.066 0.813 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.040 -6.112 3.157 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.186 -7.622 3.406 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.466 -8.679 1.642 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.267 -7.164 1.277 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.278 -7.181 3.594 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.535 -8.742 3.879 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.796 -8.971 3.132 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.730 -9.627 1.984 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.450 -8.114 1.707 1.00 25.97 H new ATOM 1020 N GLU A 64 10.600 -6.779 3.181 1.00 10.04 N ATOM 1021 CA GLU A 64 9.747 -7.563 4.022 1.00 10.94 C ATOM 1022 C GLU A 64 9.124 -6.783 5.179 1.00 9.74 C ATOM 1023 O GLU A 64 8.783 -7.353 6.222 1.00 9.42 O ATOM 1024 CB GLU A 64 10.579 -8.804 4.504 1.00 18.31 C ATOM 1025 CG GLU A 64 11.280 -9.609 3.379 1.00 24.16 C ATOM 1026 CD GLU A 64 12.380 -10.498 3.876 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.632 -10.529 5.092 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.071 -11.137 3.080 1.00 32.61 O ATOM 0 H GLU A 64 10.207 -6.684 2.244 1.00 10.04 H new ATOM 0 HA GLU A 64 8.880 -7.886 3.446 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.336 -8.461 5.209 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.916 -9.475 5.050 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.538 -10.217 2.862 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.689 -8.913 2.646 1.00 24.16 H new ATOM 1035 N SER A 65 8.883 -5.502 4.935 1.00 6.85 N ATOM 1036 CA SER A 65 8.033 -4.696 5.763 1.00 6.90 C ATOM 1037 C SER A 65 6.589 -5.111 5.712 1.00 4.72 C ATOM 1038 O SER A 65 6.085 -5.596 4.718 1.00 3.91 O ATOM 1039 CB SER A 65 8.097 -3.253 5.341 1.00 7.28 C ATOM 1040 OG SER A 65 9.439 -2.761 5.375 1.00 10.56 O ATOM 0 H SER A 65 9.283 -4.998 4.143 1.00 6.85 H new ATOM 0 HA SER A 65 8.404 -4.834 6.779 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.694 -3.148 4.333 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.470 -2.651 5.999 1.00 7.28 H new ATOM 0 HG SER A 65 9.892 -2.988 4.536 1.00 10.56 H new ATOM 1046 N THR A 66 5.811 -4.870 6.789 1.00 4.48 N ATOM 1047 CA THR A 66 4.387 -5.205 6.881 1.00 3.80 C ATOM 1048 C THR A 66 3.679 -3.899 6.931 1.00 4.60 C ATOM 1049 O THR A 66 3.849 -3.186 7.901 1.00 5.33 O ATOM 1050 CB THR A 66 3.962 -6.040 8.078 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.638 -7.304 8.057 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.416 -6.236 8.213 1.00 3.40 C ATOM 0 H THR A 66 6.171 -4.427 7.634 1.00 4.48 H new ATOM 0 HA THR A 66 4.144 -5.835 6.025 1.00 3.80 H new ATOM 0 HB THR A 66 4.255 -5.474 8.962 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.361 -7.836 8.832 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.202 -6.843 9.093 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.934 -5.264 8.316 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.034 -6.738 7.324 1.00 3.40 H new ATOM 1060 N LEU A 67 2.956 -3.533 5.860 1.00 4.17 N ATOM 1061 CA LEU A 67 2.166 -2.328 5.770 1.00 3.85 C ATOM 1062 C LEU A 67 0.693 -2.649 6.130 1.00 3.80 C ATOM 1063 O LEU A 67 0.247 -3.794 6.131 1.00 5.54 O ATOM 1064 CB LEU A 67 2.246 -1.644 4.407 1.00 7.18 C ATOM 1065 CG LEU A 67 3.505 -1.877 3.539 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.441 -0.968 2.288 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.864 -1.503 4.207 1.00 11.66 C ATOM 0 H LEU A 67 2.915 -4.098 5.012 1.00 4.17 H new ATOM 0 HA LEU A 67 2.585 -1.619 6.484 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.379 -1.959 3.826 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.148 -0.570 4.568 1.00 7.18 H new ATOM 0 HG LEU A 67 3.487 -2.949 3.341 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.327 -1.130 1.675 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.550 -1.209 1.709 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.401 0.076 2.599 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.679 -1.706 3.512 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.863 -0.444 4.466 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.001 -2.097 5.110 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.135 -1.682 6.409 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.505 -1.776 6.842 1.00 4.17 C ATOM 1081 C HIS A 68 -2.407 -1.128 5.865 1.00 5.32 C ATOM 1082 O HIS A 68 -2.059 -0.038 5.391 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.632 -1.191 8.226 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.586 -1.722 9.241 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.649 -1.204 9.465 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.727 -2.729 10.148 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.254 -1.991 10.449 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.426 -2.935 10.862 1.00 16.30 N ATOM 0 H HIS A 68 0.161 -0.709 6.331 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.807 -2.822 6.893 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.539 -0.107 8.160 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.631 -1.403 8.607 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.636 -3.296 10.288 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.258 -1.848 10.820 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.605 -3.658 11.559 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.551 -1.807 5.523 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.444 -1.288 4.530 1.00 3.97 C ATOM 1098 C LEU A 69 -5.642 -0.732 5.200 1.00 5.07 C ATOM 1099 O LEU A 69 -6.051 -1.255 6.231 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.905 -2.396 3.504 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.533 -1.928 2.167 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.950 -2.855 1.077 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.134 -1.770 2.172 1.00 9.96 C ATOM 0 H LEU A 69 -3.838 -2.695 5.934 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.909 -0.517 3.975 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.039 -3.015 3.269 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.628 -3.038 4.007 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.259 -0.893 1.960 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.357 -2.575 0.105 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -3.865 -2.757 1.058 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.217 -3.889 1.297 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.470 -1.439 1.189 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.594 -2.730 2.408 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.425 -1.034 2.922 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.174 0.406 4.617 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.278 1.126 5.105 1.00 6.26 C ATOM 1117 C VAL A 70 -8.007 1.671 3.910 1.00 9.22 C ATOM 1118 O VAL A 70 -7.548 1.524 2.773 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.958 2.152 6.204 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.146 1.420 7.558 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.596 2.742 5.931 1.00 8.54 C ATOM 0 H VAL A 70 -5.786 0.811 3.765 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.936 0.456 5.658 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.620 3.017 6.230 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.930 2.107 8.376 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.174 1.068 7.642 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.466 0.570 7.609 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.355 3.473 6.703 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.848 1.949 5.935 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.600 3.231 4.957 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.165 2.331 4.203 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.954 2.976 3.123 1.00 16.06 C ATOM 1133 C LEU A 71 -9.977 4.437 3.371 1.00 18.09 C ATOM 1134 O LEU A 71 -9.612 4.907 4.401 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.396 2.440 2.996 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.400 0.916 2.725 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.873 0.428 2.808 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.777 0.530 1.355 1.00 19.57 C ATOM 0 H LEU A 71 -9.557 2.426 5.140 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.467 2.738 2.177 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.948 2.651 3.912 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.910 2.958 2.187 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.775 0.431 3.475 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.912 -0.645 2.621 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.271 0.638 3.801 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.471 0.948 2.060 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.813 -0.552 1.231 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.340 1.006 0.552 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.740 0.865 1.319 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.383 5.224 2.357 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.669 6.654 2.415 1.00 25.83 C ATOM 1152 C ARG A 72 -11.992 7.065 3.010 1.00 27.74 C ATOM 1153 O ARG A 72 -13.047 6.505 2.733 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.610 7.264 1.007 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.582 8.783 0.979 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.054 9.454 -0.305 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.974 10.950 -0.070 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.079 11.776 -0.666 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.368 11.376 -1.712 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.947 12.969 -0.166 1.00 35.02 N ATOM 0 H ARG A 72 -10.526 4.846 1.420 1.00 21.47 H new ATOM 0 HA ARG A 72 -9.897 7.026 3.089 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.722 6.887 0.499 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.474 6.919 0.439 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.595 9.143 1.156 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.972 9.125 1.815 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.072 9.058 -0.562 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.715 9.238 -1.144 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.640 11.364 0.582 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.490 10.433 -2.081 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.699 12.012 -2.147 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.505 13.248 0.641 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.286 13.626 -0.581 1.00 35.02 H new ATOM 1174 N LEU A 73 -11.949 8.117 3.893 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.061 8.679 4.586 1.00 30.76 C ATOM 1176 C LEU A 73 -13.464 9.890 3.776 1.00 32.18 C ATOM 1177 O LEU A 73 -12.511 10.606 3.399 1.00 32.31 O ATOM 1178 CB LEU A 73 -12.667 9.012 5.987 1.00 30.53 C ATOM 1179 CG LEU A 73 -12.206 7.845 6.900 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -11.472 8.473 8.066 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -13.282 6.937 7.420 1.00 29.11 C ATOM 0 H LEU A 73 -11.073 8.588 4.121 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.905 7.995 4.677 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -11.860 9.744 5.944 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -13.515 9.500 6.468 1.00 30.53 H new ATOM 0 HG LEU A 73 -11.589 7.190 6.284 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -11.125 7.691 8.742 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -10.617 9.038 7.696 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -12.145 9.143 8.601 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -12.835 6.163 8.044 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -13.992 7.515 8.012 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -13.802 6.472 6.582 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.741 10.155 3.525 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.240 11.149 2.562 1.00 35.33 C ATOM 1195 C ARG A 74 -15.037 12.595 2.992 1.00 36.22 C ATOM 1196 O ARG A 74 -14.794 13.409 2.101 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.772 10.886 2.294 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.499 11.633 1.152 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.923 11.211 0.828 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.897 9.797 0.308 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.914 9.382 -0.973 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.662 10.191 -2.042 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -19.070 8.101 -1.282 1.00 41.93 N ATOM 0 H ARG A 74 -15.496 9.665 4.005 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.650 11.022 1.654 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.889 9.818 2.109 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.305 11.110 3.218 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.512 12.694 1.400 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.902 11.524 0.246 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.549 11.276 1.718 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.356 11.880 0.084 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.862 9.062 1.015 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.444 11.177 -1.895 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.692 9.810 -2.988 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -19.180 7.408 -0.542 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -19.080 7.810 -2.259 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.266 12.931 4.305 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.409 14.356 4.686 1.00 36.07 C ATOM 1219 C GLY A 75 -14.141 15.207 4.721 1.00 36.16 C ATOM 1220 O GLY A 75 -14.210 16.411 4.553 1.00 36.26 O ATOM 0 H GLY A 75 -15.350 12.264 5.072 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.108 14.822 3.991 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.868 14.396 5.674 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.973 14.631 5.050 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.722 15.365 5.165 1.00 36.19 C ATOM 1226 C GLY A 76 -10.492 14.556 4.953 1.00 36.20 C ATOM 1227 O GLY A 76 -10.276 13.995 3.835 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.628 14.483 5.921 1.00 0.00 O ATOM 0 H GLY A 76 -12.880 13.634 5.243 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.730 16.181 4.442 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.674 15.817 6.156 1.00 36.19 H new TER 1232 GLY A 76