USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=16 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= -0.31 K(o=0.15,f=-0.69) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.46 X(o=0.15,f=-0.33) USER MOD Set 2.1: A 22 THR OG1 : rot -87:sc= 0.753 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.837 K(o=1.6,f=0.024) USER MOD Set 3.1: A 7 THR OG1 : rot 131:sc= 1.01 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.533 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.226 (180deg=-0.816) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.00183 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.411 X(o=0.41,f=-0.0053) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= 1.1 (180deg=0.663) USER MOD Single : A 12 THR OG1 : rot 116:sc= -0.521 USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.622 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+ 175:sc= -0.394 (180deg=-0.595) USER MOD Single : A 31 GLN : amide:sc= 0.139 X(o=0.14,f=-0.2) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0409 (180deg=-0.332) USER MOD Single : A 40 GLN : amide:sc= 0.653 K(o=0.65,f=-0.14) USER MOD Single : A 41 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.556 K(o=-0.56,f=-3.2!) USER MOD Single : A 55 THR OG1 : rot -46:sc= 1.27 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 177:sc= 0.115 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -126:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0518 X(o=-0.052,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.090 -5.364 0.147 1.00 0.00 N ATOM 2 CA MET A 1 14.012 -4.612 0.802 1.00 0.00 C ATOM 3 C MET A 1 12.678 -5.270 0.514 1.00 0.00 C ATOM 4 O MET A 1 12.377 -5.535 -0.645 1.00 0.00 O ATOM 5 CB MET A 1 13.983 -3.146 0.334 1.00 0.00 C ATOM 6 CG MET A 1 12.784 -2.378 0.920 1.00 0.00 C ATOM 7 SD MET A 1 12.618 -0.625 0.481 1.00 0.00 S ATOM 8 CE MET A 1 14.253 0.027 0.904 1.00 0.00 C ATOM 0 H1 MET A 1 15.899 -4.733 -0.024 1.00 0.00 H new ATOM 0 H2 MET A 1 15.387 -6.150 0.760 1.00 0.00 H new ATOM 0 H3 MET A 1 14.748 -5.743 -0.759 1.00 0.00 H new ATOM 0 HA MET A 1 14.201 -4.619 1.876 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.909 -2.653 0.629 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.938 -3.114 -0.755 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.873 -2.890 0.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.837 -2.449 2.006 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.179 1.097 1.097 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.627 -0.478 1.795 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.939 -0.146 0.075 1.00 0.00 H new ATOM 18 N GLN A 2 11.986 -5.712 1.558 1.00 0.00 N ATOM 19 CA GLN A 2 10.656 -6.292 1.483 1.00 0.00 C ATOM 20 C GLN A 2 9.770 -5.434 2.398 1.00 0.00 C ATOM 21 O GLN A 2 10.283 -4.843 3.342 1.00 0.00 O ATOM 22 CB GLN A 2 10.602 -7.799 1.783 1.00 0.00 C ATOM 23 CG GLN A 2 10.813 -8.195 3.250 1.00 0.00 C ATOM 24 CD GLN A 2 10.412 -9.650 3.499 1.00 0.00 C ATOM 25 OE1 GLN A 2 10.846 -10.572 2.814 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.569 -9.910 4.486 1.00 0.00 N ATOM 0 H GLN A 2 12.350 -5.674 2.510 1.00 0.00 H new ATOM 0 HA GLN A 2 10.287 -6.265 0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.634 -8.180 1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.360 -8.298 1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.860 -8.053 3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.226 -7.539 3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.204 -9.149 5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.284 -10.871 4.673 1.00 0.00 H new ATOM 35 N ILE A 3 8.477 -5.297 2.136 1.00 0.00 N ATOM 36 CA ILE A 3 7.542 -4.557 2.984 1.00 0.00 C ATOM 37 C ILE A 3 6.337 -5.473 3.145 1.00 0.00 C ATOM 38 O ILE A 3 6.164 -6.418 2.363 1.00 0.00 O ATOM 39 CB ILE A 3 7.172 -3.149 2.457 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.469 -3.190 1.079 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.401 -2.219 2.498 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.873 -1.843 0.655 1.00 0.00 C ATOM 0 H ILE A 3 8.036 -5.705 1.311 1.00 0.00 H new ATOM 0 HA ILE A 3 8.003 -4.324 3.943 1.00 0.00 H new ATOM 0 HB ILE A 3 6.426 -2.723 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.185 -3.515 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.675 -3.937 1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.124 -1.233 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.757 -2.131 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.192 -2.634 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.397 -1.947 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.132 -1.526 1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.666 -1.097 0.594 1.00 0.00 H new ATOM 54 N PHE A 4 5.440 -5.135 4.059 1.00 0.00 N ATOM 55 CA PHE A 4 4.249 -5.901 4.340 1.00 0.00 C ATOM 56 C PHE A 4 3.029 -5.002 4.236 1.00 0.00 C ATOM 57 O PHE A 4 3.111 -3.799 4.484 1.00 0.00 O ATOM 58 CB PHE A 4 4.330 -6.513 5.745 1.00 0.00 C ATOM 59 CG PHE A 4 5.511 -7.421 6.030 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.447 -8.790 5.710 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.640 -6.918 6.706 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.484 -9.656 6.098 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.684 -7.783 7.078 1.00 0.00 C ATOM 64 CZ PHE A 4 7.595 -9.157 6.799 1.00 0.00 C ATOM 0 H PHE A 4 5.528 -4.299 4.637 1.00 0.00 H new ATOM 0 HA PHE A 4 4.166 -6.708 3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.345 -5.699 6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.416 -7.080 5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.599 -9.176 5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.704 -5.865 6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.427 -10.707 5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.556 -7.390 7.579 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.378 -9.827 7.122 1.00 0.00 H new ATOM 74 N VAL A 5 1.883 -5.583 3.892 1.00 0.00 N ATOM 75 CA VAL A 5 0.627 -4.858 3.776 1.00 0.00 C ATOM 76 C VAL A 5 -0.469 -5.727 4.391 1.00 0.00 C ATOM 77 O VAL A 5 -0.509 -6.933 4.145 1.00 0.00 O ATOM 78 CB VAL A 5 0.317 -4.478 2.308 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.908 -3.555 2.253 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.458 -3.735 1.590 1.00 0.00 C ATOM 0 H VAL A 5 1.802 -6.578 3.685 1.00 0.00 H new ATOM 0 HA VAL A 5 0.690 -3.912 4.313 1.00 0.00 H new ATOM 0 HB VAL A 5 0.154 -5.429 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.119 -3.292 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.770 -4.068 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.706 -2.648 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.157 -3.507 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.678 -2.808 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.348 -4.364 1.574 1.00 0.00 H new ATOM 90 N LYS A 6 -1.318 -5.145 5.237 1.00 0.00 N ATOM 91 CA LYS A 6 -2.451 -5.813 5.884 1.00 0.00 C ATOM 92 C LYS A 6 -3.674 -5.441 5.039 1.00 0.00 C ATOM 93 O LYS A 6 -3.939 -4.246 4.875 1.00 0.00 O ATOM 94 CB LYS A 6 -2.578 -5.349 7.349 1.00 0.00 C ATOM 95 CG LYS A 6 -3.744 -5.994 8.128 1.00 0.00 C ATOM 96 CD LYS A 6 -3.622 -7.507 8.386 1.00 0.00 C ATOM 97 CE LYS A 6 -2.362 -7.961 9.143 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.404 -7.656 10.589 1.00 0.00 N ATOM 0 H LYS A 6 -1.235 -4.163 5.501 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.335 -6.896 5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.645 -5.569 7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.703 -4.266 7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.839 -5.487 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.668 -5.812 7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.497 -7.831 8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.651 -8.023 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.234 -9.035 9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.489 -7.479 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.527 -7.987 11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.496 -6.629 10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.218 -8.137 11.022 1.00 0.00 H new ATOM 112 N THR A 7 -4.345 -6.410 4.416 1.00 0.00 N ATOM 113 CA THR A 7 -5.520 -6.133 3.591 1.00 0.00 C ATOM 114 C THR A 7 -6.759 -5.950 4.469 1.00 0.00 C ATOM 115 O THR A 7 -6.769 -6.341 5.640 1.00 0.00 O ATOM 116 CB THR A 7 -5.775 -7.275 2.584 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.194 -8.441 3.265 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.548 -7.612 1.730 1.00 0.00 C ATOM 0 H THR A 7 -4.093 -7.397 4.468 1.00 0.00 H new ATOM 0 HA THR A 7 -5.325 -5.214 3.039 1.00 0.00 H new ATOM 0 HB THR A 7 -6.556 -6.919 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.995 -8.803 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.794 -8.422 1.043 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.248 -6.732 1.161 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.728 -7.922 2.378 1.00 0.00 H new ATOM 126 N LEU A 8 -7.842 -5.433 3.880 1.00 0.00 N ATOM 127 CA LEU A 8 -9.109 -5.242 4.583 1.00 0.00 C ATOM 128 C LEU A 8 -9.806 -6.589 4.849 1.00 0.00 C ATOM 129 O LEU A 8 -10.828 -6.635 5.529 1.00 0.00 O ATOM 130 CB LEU A 8 -10.006 -4.226 3.854 1.00 0.00 C ATOM 131 CG LEU A 8 -10.999 -4.784 2.811 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.929 -3.645 2.397 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.349 -5.360 1.551 1.00 0.00 C ATOM 0 H LEU A 8 -7.862 -5.136 2.904 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.898 -4.810 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.576 -3.679 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.361 -3.503 3.354 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.521 -5.614 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.644 -4.009 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.466 -3.277 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.342 -2.835 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.123 -5.727 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.772 -4.582 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.688 -6.182 1.826 1.00 0.00 H new ATOM 145 N THR A 9 -9.285 -7.686 4.288 1.00 0.00 N ATOM 146 CA THR A 9 -9.809 -9.033 4.466 1.00 0.00 C ATOM 147 C THR A 9 -9.070 -9.720 5.629 1.00 0.00 C ATOM 148 O THR A 9 -9.477 -10.796 6.065 1.00 0.00 O ATOM 149 CB THR A 9 -9.715 -9.832 3.148 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.382 -10.192 2.844 1.00 0.00 O ATOM 151 CG2 THR A 9 -10.244 -9.064 1.934 1.00 0.00 C ATOM 0 H THR A 9 -8.465 -7.654 3.682 1.00 0.00 H new ATOM 0 HA THR A 9 -10.867 -8.988 4.725 1.00 0.00 H new ATOM 0 HB THR A 9 -10.333 -10.712 3.326 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.363 -10.697 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.148 -9.683 1.042 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.293 -8.813 2.091 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.668 -8.148 1.804 1.00 0.00 H new ATOM 159 N GLY A 10 -7.957 -9.141 6.104 1.00 0.00 N ATOM 160 CA GLY A 10 -7.143 -9.664 7.187 1.00 0.00 C ATOM 161 C GLY A 10 -5.916 -10.423 6.686 1.00 0.00 C ATOM 162 O GLY A 10 -5.255 -11.081 7.492 1.00 0.00 O ATOM 0 H GLY A 10 -7.595 -8.266 5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.821 -8.841 7.825 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.749 -10.327 7.804 1.00 0.00 H new ATOM 166 N LYS A 11 -5.618 -10.412 5.378 1.00 0.00 N ATOM 167 CA LYS A 11 -4.438 -11.115 4.882 1.00 0.00 C ATOM 168 C LYS A 11 -3.225 -10.233 5.122 1.00 0.00 C ATOM 169 O LYS A 11 -3.341 -9.013 5.252 1.00 0.00 O ATOM 170 CB LYS A 11 -4.502 -11.324 3.351 1.00 0.00 C ATOM 171 CG LYS A 11 -5.629 -12.222 2.839 1.00 0.00 C ATOM 172 CD LYS A 11 -5.455 -13.704 3.174 1.00 0.00 C ATOM 173 CE LYS A 11 -4.144 -14.337 2.680 1.00 0.00 C ATOM 174 NZ LYS A 11 -4.036 -14.351 1.208 1.00 0.00 N ATOM 0 H LYS A 11 -6.167 -9.934 4.663 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.385 -12.077 5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.599 -10.348 2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.552 -11.746 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.573 -11.875 3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.702 -12.112 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.513 -13.825 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.291 -14.257 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.300 -13.787 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.075 -15.358 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.265 -14.988 0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.931 -14.685 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.836 -13.390 0.865 1.00 0.00 H new ATOM 188 N THR A 12 -2.054 -10.839 5.031 1.00 0.00 N ATOM 189 CA THR A 12 -0.782 -10.171 5.172 1.00 0.00 C ATOM 190 C THR A 12 -0.071 -10.516 3.876 1.00 0.00 C ATOM 191 O THR A 12 -0.044 -11.679 3.464 1.00 0.00 O ATOM 192 CB THR A 12 -0.089 -10.648 6.452 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.714 -9.991 7.530 1.00 0.00 O ATOM 194 CG2 THR A 12 1.419 -10.373 6.495 1.00 0.00 C ATOM 0 H THR A 12 -1.965 -11.839 4.852 1.00 0.00 H new ATOM 0 HA THR A 12 -0.825 -9.089 5.297 1.00 0.00 H new ATOM 0 HB THR A 12 -0.188 -11.732 6.500 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.159 -10.651 8.102 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.830 -10.742 7.435 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.905 -10.881 5.662 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.596 -9.300 6.419 1.00 0.00 H new ATOM 202 N ILE A 13 0.486 -9.501 3.235 1.00 0.00 N ATOM 203 CA ILE A 13 1.211 -9.584 1.982 1.00 0.00 C ATOM 204 C ILE A 13 2.656 -9.195 2.285 1.00 0.00 C ATOM 205 O ILE A 13 2.899 -8.497 3.272 1.00 0.00 O ATOM 206 CB ILE A 13 0.573 -8.619 0.946 1.00 0.00 C ATOM 207 CG1 ILE A 13 -0.975 -8.546 0.979 1.00 0.00 C ATOM 208 CG2 ILE A 13 1.053 -8.929 -0.486 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.699 -9.868 0.691 1.00 0.00 C ATOM 0 H ILE A 13 0.441 -8.548 3.596 1.00 0.00 H new ATOM 0 HA ILE A 13 1.173 -10.587 1.557 1.00 0.00 H new ATOM 0 HB ILE A 13 0.924 -7.633 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.285 -8.187 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.303 -7.805 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.586 -8.234 -1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.137 -8.822 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.776 -9.950 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.777 -9.710 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.427 -10.223 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.408 -10.611 1.433 1.00 0.00 H new ATOM 221 N THR A 14 3.578 -9.630 1.435 1.00 0.00 N ATOM 222 CA THR A 14 5.009 -9.380 1.447 1.00 0.00 C ATOM 223 C THR A 14 5.363 -9.033 -0.008 1.00 0.00 C ATOM 224 O THR A 14 4.957 -9.762 -0.919 1.00 0.00 O ATOM 225 CB THR A 14 5.798 -10.589 1.954 1.00 0.00 C ATOM 226 OG1 THR A 14 5.347 -11.019 3.221 1.00 0.00 O ATOM 227 CG2 THR A 14 7.274 -10.220 2.113 1.00 0.00 C ATOM 0 H THR A 14 3.315 -10.222 0.647 1.00 0.00 H new ATOM 0 HA THR A 14 5.271 -8.573 2.131 1.00 0.00 H new ATOM 0 HB THR A 14 5.656 -11.384 1.222 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.557 -10.337 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.829 -11.086 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.677 -9.907 1.150 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.370 -9.403 2.829 1.00 0.00 H new ATOM 235 N LEU A 15 6.010 -7.886 -0.251 1.00 0.00 N ATOM 236 CA LEU A 15 6.411 -7.415 -1.582 1.00 0.00 C ATOM 237 C LEU A 15 7.796 -6.786 -1.521 1.00 0.00 C ATOM 238 O LEU A 15 8.126 -6.181 -0.499 1.00 0.00 O ATOM 239 CB LEU A 15 5.438 -6.333 -2.090 1.00 0.00 C ATOM 240 CG LEU A 15 4.046 -6.839 -2.498 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.146 -5.635 -2.783 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.119 -7.738 -3.731 1.00 0.00 C ATOM 0 H LEU A 15 6.276 -7.242 0.494 1.00 0.00 H new ATOM 0 HA LEU A 15 6.405 -8.276 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.319 -5.581 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.891 -5.835 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 15 3.635 -7.432 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.155 -5.983 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.066 -5.020 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.575 -5.044 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.117 -8.079 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.541 -7.178 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.751 -8.600 -3.516 1.00 0.00 H new ATOM 254 N GLU A 16 8.570 -6.871 -2.600 1.00 0.00 N ATOM 255 CA GLU A 16 9.913 -6.315 -2.742 1.00 0.00 C ATOM 256 C GLU A 16 9.792 -5.037 -3.565 1.00 0.00 C ATOM 257 O GLU A 16 9.389 -5.090 -4.730 1.00 0.00 O ATOM 258 CB GLU A 16 10.846 -7.330 -3.414 1.00 0.00 C ATOM 259 CG GLU A 16 12.173 -6.715 -3.902 1.00 0.00 C ATOM 260 CD GLU A 16 13.258 -7.774 -4.099 1.00 0.00 C ATOM 261 OE1 GLU A 16 13.088 -8.681 -4.944 1.00 0.00 O ATOM 262 OE2 GLU A 16 14.261 -7.744 -3.342 1.00 0.00 O ATOM 0 H GLU A 16 8.261 -7.355 -3.443 1.00 0.00 H new ATOM 0 HA GLU A 16 10.345 -6.089 -1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.064 -8.133 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.330 -7.781 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.005 -6.189 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.516 -5.974 -3.180 1.00 0.00 H new ATOM 269 N VAL A 17 10.086 -3.895 -2.947 1.00 0.00 N ATOM 270 CA VAL A 17 10.028 -2.573 -3.567 1.00 0.00 C ATOM 271 C VAL A 17 11.308 -1.812 -3.190 1.00 0.00 C ATOM 272 O VAL A 17 12.204 -2.385 -2.567 1.00 0.00 O ATOM 273 CB VAL A 17 8.689 -1.852 -3.255 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.465 -2.786 -3.314 1.00 0.00 C ATOM 275 CG2 VAL A 17 8.637 -1.095 -1.923 1.00 0.00 C ATOM 0 H VAL A 17 10.380 -3.863 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 17 10.015 -2.642 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 17 8.645 -1.116 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.563 -2.218 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.382 -3.214 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.583 -3.587 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.658 -0.630 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.808 -1.791 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.408 -0.325 -1.912 1.00 0.00 H new ATOM 285 N GLU A 18 11.431 -0.536 -3.563 1.00 0.00 N ATOM 286 CA GLU A 18 12.609 0.265 -3.258 1.00 0.00 C ATOM 287 C GLU A 18 12.201 1.703 -2.927 1.00 0.00 C ATOM 288 O GLU A 18 11.035 2.059 -3.130 1.00 0.00 O ATOM 289 CB GLU A 18 13.613 0.117 -4.413 1.00 0.00 C ATOM 290 CG GLU A 18 13.234 0.808 -5.733 1.00 0.00 C ATOM 291 CD GLU A 18 13.911 0.119 -6.925 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.196 -0.301 -7.861 1.00 0.00 O ATOM 293 OE2 GLU A 18 15.147 -0.102 -6.895 1.00 0.00 O ATOM 0 H GLU A 18 10.714 -0.033 -4.085 1.00 0.00 H new ATOM 0 HA GLU A 18 13.118 -0.088 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.575 0.511 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.754 -0.946 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.152 0.787 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.530 1.856 -5.698 1.00 0.00 H new ATOM 300 N PRO A 19 13.112 2.546 -2.400 1.00 0.00 N ATOM 301 CA PRO A 19 12.798 3.925 -2.050 1.00 0.00 C ATOM 302 C PRO A 19 12.200 4.743 -3.189 1.00 0.00 C ATOM 303 O PRO A 19 11.453 5.680 -2.912 1.00 0.00 O ATOM 304 CB PRO A 19 14.107 4.561 -1.568 1.00 0.00 C ATOM 305 CG PRO A 19 14.936 3.365 -1.119 1.00 0.00 C ATOM 306 CD PRO A 19 14.507 2.272 -2.097 1.00 0.00 C ATOM 0 HA PRO A 19 12.025 3.919 -1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.601 5.116 -2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.936 5.261 -0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.005 3.567 -1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.723 3.090 -0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.116 2.293 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.625 1.282 -1.656 1.00 0.00 H new ATOM 314 N SER A 20 12.420 4.343 -4.444 1.00 0.00 N ATOM 315 CA SER A 20 11.918 5.078 -5.588 1.00 0.00 C ATOM 316 C SER A 20 10.885 4.287 -6.390 1.00 0.00 C ATOM 317 O SER A 20 10.798 4.461 -7.606 1.00 0.00 O ATOM 318 CB SER A 20 13.112 5.560 -6.422 1.00 0.00 C ATOM 319 OG SER A 20 14.063 6.210 -5.589 1.00 0.00 O ATOM 0 H SER A 20 12.949 3.505 -4.686 1.00 0.00 H new ATOM 0 HA SER A 20 11.366 5.953 -5.244 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.578 4.713 -6.926 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.770 6.244 -7.198 1.00 0.00 H new ATOM 0 HG SER A 20 14.821 6.512 -6.132 1.00 0.00 H new ATOM 325 N ASP A 21 10.103 3.432 -5.722 1.00 0.00 N ATOM 326 CA ASP A 21 9.008 2.685 -6.349 1.00 0.00 C ATOM 327 C ASP A 21 7.809 3.587 -6.023 1.00 0.00 C ATOM 328 O ASP A 21 7.666 4.004 -4.862 1.00 0.00 O ATOM 329 CB ASP A 21 8.847 1.284 -5.731 1.00 0.00 C ATOM 330 CG ASP A 21 7.741 0.447 -6.394 1.00 0.00 C ATOM 331 OD1 ASP A 21 6.929 -0.180 -5.681 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.750 0.290 -7.633 1.00 0.00 O ATOM 0 H ASP A 21 10.213 3.238 -4.727 1.00 0.00 H new ATOM 0 HA ASP A 21 9.150 2.494 -7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.794 0.749 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.627 1.387 -4.668 1.00 0.00 H new ATOM 337 N THR A 22 6.980 3.967 -6.999 1.00 0.00 N ATOM 338 CA THR A 22 5.844 4.839 -6.694 1.00 0.00 C ATOM 339 C THR A 22 4.738 4.030 -6.026 1.00 0.00 C ATOM 340 O THR A 22 4.619 2.822 -6.238 1.00 0.00 O ATOM 341 CB THR A 22 5.297 5.524 -7.963 1.00 0.00 C ATOM 342 OG1 THR A 22 5.229 4.604 -9.031 1.00 0.00 O ATOM 343 CG2 THR A 22 6.105 6.754 -8.378 1.00 0.00 C ATOM 0 H THR A 22 7.069 3.695 -7.978 1.00 0.00 H new ATOM 0 HA THR A 22 6.192 5.619 -6.016 1.00 0.00 H new ATOM 0 HB THR A 22 4.295 5.874 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.089 4.582 -9.500 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.669 7.190 -9.277 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.088 7.489 -7.573 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.135 6.461 -8.580 1.00 0.00 H new ATOM 351 N ILE A 23 3.839 4.709 -5.306 1.00 0.00 N ATOM 352 CA ILE A 23 2.724 4.017 -4.656 1.00 0.00 C ATOM 353 C ILE A 23 1.849 3.367 -5.735 1.00 0.00 C ATOM 354 O ILE A 23 1.200 2.367 -5.450 1.00 0.00 O ATOM 355 CB ILE A 23 1.938 4.972 -3.741 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.831 5.622 -2.663 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.718 4.306 -3.075 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.577 4.655 -1.734 1.00 0.00 C ATOM 0 H ILE A 23 3.860 5.718 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 23 3.101 3.228 -4.005 1.00 0.00 H new ATOM 0 HB ILE A 23 1.569 5.754 -4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.565 6.255 -3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.210 6.276 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.207 5.032 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.033 3.949 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.050 3.465 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.172 5.223 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.857 4.037 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.233 4.016 -2.325 1.00 0.00 H new ATOM 370 N GLU A 24 1.842 3.903 -6.963 1.00 0.00 N ATOM 371 CA GLU A 24 1.090 3.372 -8.094 1.00 0.00 C ATOM 372 C GLU A 24 1.458 1.898 -8.271 1.00 0.00 C ATOM 373 O GLU A 24 0.593 1.031 -8.384 1.00 0.00 O ATOM 374 CB GLU A 24 1.479 4.174 -9.349 1.00 0.00 C ATOM 375 CG GLU A 24 0.672 3.791 -10.592 1.00 0.00 C ATOM 376 CD GLU A 24 0.912 4.777 -11.735 1.00 0.00 C ATOM 377 OE1 GLU A 24 -0.037 5.509 -12.098 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.052 4.846 -12.257 1.00 0.00 O ATOM 0 H GLU A 24 2.375 4.740 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 24 0.016 3.456 -7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.341 5.237 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.539 4.023 -9.553 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.948 2.786 -10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.390 3.767 -10.346 1.00 0.00 H new ATOM 385 N ASN A 25 2.764 1.640 -8.286 1.00 0.00 N ATOM 386 CA ASN A 25 3.381 0.341 -8.435 1.00 0.00 C ATOM 387 C ASN A 25 3.112 -0.517 -7.206 1.00 0.00 C ATOM 388 O ASN A 25 2.635 -1.640 -7.356 1.00 0.00 O ATOM 389 CB ASN A 25 4.870 0.503 -8.727 1.00 0.00 C ATOM 390 CG ASN A 25 5.080 0.892 -10.177 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.967 0.049 -11.059 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.314 2.156 -10.463 1.00 0.00 N ATOM 0 H ASN A 25 3.455 2.384 -8.188 1.00 0.00 H new ATOM 0 HA ASN A 25 2.941 -0.181 -9.285 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.295 1.264 -8.073 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.393 -0.429 -8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.405 2.451 -11.435 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.404 2.840 -9.712 1.00 0.00 H new ATOM 399 N VAL A 26 3.391 -0.027 -5.994 1.00 0.00 N ATOM 400 CA VAL A 26 3.154 -0.784 -4.757 1.00 0.00 C ATOM 401 C VAL A 26 1.694 -1.262 -4.701 1.00 0.00 C ATOM 402 O VAL A 26 1.415 -2.418 -4.377 1.00 0.00 O ATOM 403 CB VAL A 26 3.448 0.093 -3.516 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.280 -0.703 -2.210 1.00 0.00 C ATOM 405 CG2 VAL A 26 4.852 0.702 -3.493 1.00 0.00 C ATOM 0 H VAL A 26 3.786 0.901 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 26 3.822 -1.645 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 26 2.720 0.901 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.494 -0.056 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.257 -1.071 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.970 -1.547 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.974 1.301 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.595 -0.096 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.988 1.335 -4.370 1.00 0.00 H new ATOM 415 N LYS A 27 0.754 -0.384 -5.054 1.00 0.00 N ATOM 416 CA LYS A 27 -0.673 -0.663 -5.035 1.00 0.00 C ATOM 417 C LYS A 27 -1.101 -1.557 -6.207 1.00 0.00 C ATOM 418 O LYS A 27 -2.215 -2.070 -6.189 1.00 0.00 O ATOM 419 CB LYS A 27 -1.406 0.680 -5.005 1.00 0.00 C ATOM 420 CG LYS A 27 -2.819 0.556 -4.424 1.00 0.00 C ATOM 421 CD LYS A 27 -3.598 1.869 -4.524 1.00 0.00 C ATOM 422 CE LYS A 27 -3.768 2.257 -5.996 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.741 3.341 -6.196 1.00 0.00 N ATOM 0 H LYS A 27 0.974 0.561 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.936 -1.235 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.832 1.392 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.465 1.082 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.361 -0.228 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.756 0.251 -3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.574 1.761 -4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.070 2.658 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.803 2.564 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.086 1.382 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.813 3.560 -7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.671 3.043 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.428 4.188 -5.681 1.00 0.00 H new ATOM 437 N ALA A 28 -0.260 -1.750 -7.222 1.00 0.00 N ATOM 438 CA ALA A 28 -0.550 -2.616 -8.356 1.00 0.00 C ATOM 439 C ALA A 28 -0.058 -4.015 -8.002 1.00 0.00 C ATOM 440 O ALA A 28 -0.782 -4.989 -8.166 1.00 0.00 O ATOM 441 CB ALA A 28 0.144 -2.107 -9.609 1.00 0.00 C ATOM 0 H ALA A 28 0.654 -1.301 -7.277 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.621 -2.629 -8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.085 -2.767 -10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.206 -1.100 -9.835 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.222 -2.088 -9.446 1.00 0.00 H new ATOM 447 N LYS A 29 1.154 -4.110 -7.445 1.00 0.00 N ATOM 448 CA LYS A 29 1.789 -5.352 -7.022 1.00 0.00 C ATOM 449 C LYS A 29 0.836 -6.164 -6.131 1.00 0.00 C ATOM 450 O LYS A 29 0.794 -7.391 -6.249 1.00 0.00 O ATOM 451 CB LYS A 29 3.154 -5.039 -6.382 1.00 0.00 C ATOM 452 CG LYS A 29 4.239 -4.702 -7.431 1.00 0.00 C ATOM 453 CD LYS A 29 5.604 -4.362 -6.794 1.00 0.00 C ATOM 454 CE LYS A 29 5.882 -2.848 -6.716 1.00 0.00 C ATOM 455 NZ LYS A 29 6.757 -2.358 -7.803 1.00 0.00 N ATOM 0 H LYS A 29 1.737 -3.291 -7.272 1.00 0.00 H new ATOM 0 HA LYS A 29 1.995 -5.993 -7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.045 -4.200 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.479 -5.895 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.360 -5.549 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.905 -3.858 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.643 -4.783 -5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.395 -4.840 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.935 -2.309 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.344 -2.619 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.837 -1.323 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.701 -2.784 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.349 -2.622 -8.723 1.00 0.00 H new ATOM 469 N ILE A 30 0.080 -5.519 -5.234 1.00 0.00 N ATOM 470 CA ILE A 30 -0.880 -6.205 -4.365 1.00 0.00 C ATOM 471 C ILE A 30 -2.050 -6.830 -5.160 1.00 0.00 C ATOM 472 O ILE A 30 -2.627 -7.813 -4.692 1.00 0.00 O ATOM 473 CB ILE A 30 -1.411 -5.286 -3.237 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.037 -3.994 -3.792 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.298 -4.970 -2.221 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.786 -3.150 -2.758 1.00 0.00 C ATOM 0 H ILE A 30 0.117 -4.510 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.329 -7.020 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.203 -5.829 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.248 -3.386 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.726 -4.256 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.693 -4.323 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.064 -5.898 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.524 -4.465 -2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.193 -2.261 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.600 -3.736 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.099 -2.852 -1.966 1.00 0.00 H new ATOM 488 N GLN A 31 -2.399 -6.322 -6.349 1.00 0.00 N ATOM 489 CA GLN A 31 -3.505 -6.848 -7.156 1.00 0.00 C ATOM 490 C GLN A 31 -3.066 -8.146 -7.833 1.00 0.00 C ATOM 491 O GLN A 31 -3.899 -8.995 -8.154 1.00 0.00 O ATOM 492 CB GLN A 31 -3.906 -5.829 -8.241 1.00 0.00 C ATOM 493 CG GLN A 31 -4.293 -4.453 -7.673 1.00 0.00 C ATOM 494 CD GLN A 31 -4.432 -3.364 -8.732 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.677 -3.616 -9.912 1.00 0.00 O ATOM 496 NE2 GLN A 31 -4.269 -2.115 -8.336 1.00 0.00 N ATOM 0 H GLN A 31 -1.919 -5.531 -6.779 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.359 -7.034 -6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.077 -5.706 -8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.745 -6.228 -8.811 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.236 -4.545 -7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.540 -4.146 -6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.066 -1.913 -7.357 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.346 -1.352 -9.009 1.00 0.00 H new ATOM 505 N ASP A 32 -1.762 -8.352 -8.021 1.00 0.00 N ATOM 506 CA ASP A 32 -1.219 -9.572 -8.617 1.00 0.00 C ATOM 507 C ASP A 32 -1.276 -10.685 -7.560 1.00 0.00 C ATOM 508 O ASP A 32 -1.674 -11.816 -7.855 1.00 0.00 O ATOM 509 CB ASP A 32 0.219 -9.321 -9.095 1.00 0.00 C ATOM 510 CG ASP A 32 1.089 -10.578 -9.041 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.876 -11.497 -9.863 1.00 0.00 O ATOM 512 OD2 ASP A 32 1.999 -10.632 -8.184 1.00 0.00 O ATOM 0 H ASP A 32 -1.048 -7.671 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.804 -9.874 -9.486 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.197 -8.944 -10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.672 -8.544 -8.478 1.00 0.00 H new ATOM 517 N LYS A 33 -0.988 -10.341 -6.300 1.00 0.00 N ATOM 518 CA LYS A 33 -0.972 -11.284 -5.188 1.00 0.00 C ATOM 519 C LYS A 33 -2.301 -11.518 -4.473 1.00 0.00 C ATOM 520 O LYS A 33 -2.384 -12.500 -3.733 1.00 0.00 O ATOM 521 CB LYS A 33 0.084 -10.833 -4.169 1.00 0.00 C ATOM 522 CG LYS A 33 1.509 -11.052 -4.695 1.00 0.00 C ATOM 523 CD LYS A 33 2.504 -11.040 -3.527 1.00 0.00 C ATOM 524 CE LYS A 33 3.889 -11.592 -3.889 1.00 0.00 C ATOM 525 NZ LYS A 33 3.811 -13.005 -4.317 1.00 0.00 N ATOM 0 H LYS A 33 -0.757 -9.386 -6.025 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.735 -12.247 -5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.061 -9.778 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.049 -11.384 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.568 -12.003 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.766 -10.271 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.614 -10.018 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.093 -11.626 -2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.324 -10.992 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.553 -11.507 -3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.755 -13.437 -4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.157 -13.521 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.466 -13.052 -5.297 1.00 0.00 H new ATOM 539 N GLU A 34 -3.329 -10.682 -4.627 1.00 0.00 N ATOM 540 CA GLU A 34 -4.600 -10.888 -3.927 1.00 0.00 C ATOM 541 C GLU A 34 -5.771 -10.390 -4.782 1.00 0.00 C ATOM 542 O GLU A 34 -5.591 -9.565 -5.681 1.00 0.00 O ATOM 543 CB GLU A 34 -4.505 -10.157 -2.573 1.00 0.00 C ATOM 544 CG GLU A 34 -5.453 -10.654 -1.474 1.00 0.00 C ATOM 545 CD GLU A 34 -4.977 -11.960 -0.831 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.830 -12.043 -0.341 1.00 0.00 O ATOM 547 OE2 GLU A 34 -5.774 -12.919 -0.747 1.00 0.00 O ATOM 0 H GLU A 34 -3.308 -9.858 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.786 -11.947 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.481 -10.241 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.698 -9.097 -2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.545 -9.887 -0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.447 -10.803 -1.897 1.00 0.00 H new ATOM 554 N GLY A 35 -6.988 -10.855 -4.479 1.00 0.00 N ATOM 555 CA GLY A 35 -8.205 -10.504 -5.196 1.00 0.00 C ATOM 556 C GLY A 35 -8.795 -9.164 -4.768 1.00 0.00 C ATOM 557 O GLY A 35 -9.911 -9.143 -4.247 1.00 0.00 O ATOM 0 H GLY A 35 -7.151 -11.502 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.993 -10.474 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.948 -11.286 -5.040 1.00 0.00 H new ATOM 561 N ILE A 36 -8.096 -8.049 -4.983 1.00 0.00 N ATOM 562 CA ILE A 36 -8.588 -6.717 -4.621 1.00 0.00 C ATOM 563 C ILE A 36 -8.321 -5.764 -5.802 1.00 0.00 C ATOM 564 O ILE A 36 -7.175 -5.348 -5.975 1.00 0.00 O ATOM 565 CB ILE A 36 -7.949 -6.240 -3.286 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.454 -6.626 -3.135 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.758 -6.807 -2.102 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.747 -5.996 -1.928 1.00 0.00 C ATOM 0 H ILE A 36 -7.171 -8.043 -5.414 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.663 -6.736 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.982 -5.151 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.379 -7.711 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.924 -6.334 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.312 -6.474 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.787 -6.452 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.747 -7.896 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.707 -6.323 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.784 -4.910 -2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.246 -6.307 -1.011 1.00 0.00 H new ATOM 580 N PRO A 37 -9.348 -5.358 -6.574 1.00 0.00 N ATOM 581 CA PRO A 37 -9.199 -4.449 -7.712 1.00 0.00 C ATOM 582 C PRO A 37 -8.893 -3.006 -7.273 1.00 0.00 C ATOM 583 O PRO A 37 -9.053 -2.679 -6.094 1.00 0.00 O ATOM 584 CB PRO A 37 -10.551 -4.480 -8.449 1.00 0.00 C ATOM 585 CG PRO A 37 -11.293 -5.686 -7.886 1.00 0.00 C ATOM 586 CD PRO A 37 -10.734 -5.793 -6.475 1.00 0.00 C ATOM 0 HA PRO A 37 -8.364 -4.766 -8.337 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.111 -3.560 -8.280 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.409 -4.574 -9.526 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.372 -5.533 -7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.100 -6.588 -8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.294 -5.165 -5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.799 -6.816 -6.103 1.00 0.00 H new ATOM 594 N PRO A 38 -8.518 -2.100 -8.200 1.00 0.00 N ATOM 595 CA PRO A 38 -8.245 -0.699 -7.895 1.00 0.00 C ATOM 596 C PRO A 38 -9.568 0.082 -7.739 1.00 0.00 C ATOM 597 O PRO A 38 -9.806 1.095 -8.402 1.00 0.00 O ATOM 598 CB PRO A 38 -7.389 -0.207 -9.070 1.00 0.00 C ATOM 599 CG PRO A 38 -7.950 -1.005 -10.245 1.00 0.00 C ATOM 600 CD PRO A 38 -8.275 -2.359 -9.611 1.00 0.00 C ATOM 0 HA PRO A 38 -7.720 -0.555 -6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.490 0.867 -9.224 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.329 -0.408 -8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.837 -0.533 -10.668 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.224 -1.100 -11.053 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.150 -2.808 -10.080 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.449 -3.058 -9.742 1.00 0.00 H new ATOM 608 N ASP A 39 -10.430 -0.359 -6.830 1.00 0.00 N ATOM 609 CA ASP A 39 -11.730 0.200 -6.482 1.00 0.00 C ATOM 610 C ASP A 39 -11.922 -0.130 -5.004 1.00 0.00 C ATOM 611 O ASP A 39 -11.580 -1.230 -4.583 1.00 0.00 O ATOM 612 CB ASP A 39 -12.862 -0.362 -7.350 1.00 0.00 C ATOM 613 CG ASP A 39 -14.203 0.286 -6.993 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.220 1.416 -6.447 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.261 -0.343 -7.215 1.00 0.00 O ATOM 0 H ASP A 39 -10.219 -1.186 -6.271 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.761 1.274 -6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.639 -0.187 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.928 -1.441 -7.213 1.00 0.00 H new ATOM 620 N GLN A 40 -12.400 0.825 -4.201 1.00 0.00 N ATOM 621 CA GLN A 40 -12.603 0.693 -2.755 1.00 0.00 C ATOM 622 C GLN A 40 -11.287 0.182 -2.139 1.00 0.00 C ATOM 623 O GLN A 40 -11.267 -0.720 -1.301 1.00 0.00 O ATOM 624 CB GLN A 40 -13.774 -0.268 -2.437 1.00 0.00 C ATOM 625 CG GLN A 40 -15.048 -0.147 -3.282 1.00 0.00 C ATOM 626 CD GLN A 40 -15.703 1.227 -3.247 1.00 0.00 C ATOM 627 OE1 GLN A 40 -16.023 1.777 -2.199 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.967 1.826 -4.393 1.00 0.00 N ATOM 0 H GLN A 40 -12.666 1.745 -4.553 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.868 1.660 -2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.405 -1.289 -2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.050 -0.125 -1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.807 -0.394 -4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.769 -0.888 -2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.707 1.381 -5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.431 2.734 -4.399 1.00 0.00 H new ATOM 637 N ASN A 41 -10.168 0.821 -2.496 1.00 0.00 N ATOM 638 CA ASN A 41 -8.851 0.423 -2.023 1.00 0.00 C ATOM 639 C ASN A 41 -7.919 1.628 -2.003 1.00 0.00 C ATOM 640 O ASN A 41 -7.856 2.367 -2.987 1.00 0.00 O ATOM 641 CB ASN A 41 -8.355 -0.599 -3.055 1.00 0.00 C ATOM 642 CG ASN A 41 -7.019 -1.204 -2.694 1.00 0.00 C ATOM 643 OD1 ASN A 41 -5.976 -0.578 -2.870 1.00 0.00 O ATOM 644 ND2 ASN A 41 -7.030 -2.436 -2.227 1.00 0.00 N ATOM 0 H ASN A 41 -10.157 1.627 -3.121 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.881 0.014 -1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.093 -1.395 -3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.277 -0.115 -4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.152 -2.902 -1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.916 -2.923 -2.094 1.00 0.00 H new ATOM 651 N ARG A 42 -7.174 1.838 -0.919 1.00 0.00 N ATOM 652 CA ARG A 42 -6.226 2.939 -0.742 1.00 0.00 C ATOM 653 C ARG A 42 -5.196 2.454 0.263 1.00 0.00 C ATOM 654 O ARG A 42 -5.585 1.865 1.273 1.00 0.00 O ATOM 655 CB ARG A 42 -6.940 4.203 -0.221 1.00 0.00 C ATOM 656 CG ARG A 42 -5.973 5.383 -0.017 1.00 0.00 C ATOM 657 CD ARG A 42 -6.656 6.611 0.595 1.00 0.00 C ATOM 658 NE ARG A 42 -7.538 7.299 -0.358 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.186 8.230 -1.251 1.00 0.00 C ATOM 660 NH1 ARG A 42 -5.906 8.532 -1.445 1.00 0.00 N ATOM 661 NH2 ARG A 42 -8.126 8.853 -1.943 1.00 0.00 N ATOM 0 H ARG A 42 -7.215 1.222 -0.107 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.760 3.211 -1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.719 4.493 -0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.434 3.974 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.154 5.068 0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.534 5.657 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.236 6.304 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.895 7.307 0.949 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.524 7.039 -0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.182 8.052 -0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.648 9.244 -2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.108 8.621 -1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.869 9.565 -2.627 1.00 0.00 H new ATOM 675 N LEU A 43 -3.918 2.709 0.002 1.00 0.00 N ATOM 676 CA LEU A 43 -2.807 2.306 0.854 1.00 0.00 C ATOM 677 C LEU A 43 -2.572 3.409 1.890 1.00 0.00 C ATOM 678 O LEU A 43 -2.605 4.592 1.554 1.00 0.00 O ATOM 679 CB LEU A 43 -1.588 2.083 -0.057 1.00 0.00 C ATOM 680 CG LEU A 43 -0.412 1.350 0.610 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.712 -0.129 0.882 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.801 1.438 -0.324 1.00 0.00 C ATOM 0 H LEU A 43 -3.619 3.216 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.006 1.382 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.904 1.514 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.238 3.051 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.224 1.828 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.153 -0.595 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.574 -0.210 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.929 -0.635 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.648 0.924 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.561 0.969 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.058 2.484 -0.489 1.00 0.00 H new ATOM 694 N ILE A 44 -2.327 3.029 3.142 1.00 0.00 N ATOM 695 CA ILE A 44 -2.102 3.917 4.281 1.00 0.00 C ATOM 696 C ILE A 44 -0.900 3.389 5.075 1.00 0.00 C ATOM 697 O ILE A 44 -0.686 2.177 5.136 1.00 0.00 O ATOM 698 CB ILE A 44 -3.359 3.894 5.199 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.734 3.959 4.497 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.315 4.965 6.302 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.090 5.284 3.812 1.00 0.00 C ATOM 0 H ILE A 44 -2.277 2.044 3.403 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.915 4.934 3.936 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.288 2.896 5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.773 3.167 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.505 3.739 5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.218 4.899 6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.441 4.802 6.933 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.255 5.954 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.077 5.204 3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.095 6.086 4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.352 5.505 3.041 1.00 0.00 H new ATOM 713 N PHE A 45 -0.144 4.265 5.740 1.00 0.00 N ATOM 714 CA PHE A 45 1.001 3.882 6.564 1.00 0.00 C ATOM 715 C PHE A 45 0.911 4.717 7.837 1.00 0.00 C ATOM 716 O PHE A 45 1.015 5.938 7.756 1.00 0.00 O ATOM 717 CB PHE A 45 2.313 4.097 5.800 1.00 0.00 C ATOM 718 CG PHE A 45 3.568 3.764 6.589 1.00 0.00 C ATOM 719 CD1 PHE A 45 3.693 2.535 7.270 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.627 4.689 6.641 1.00 0.00 C ATOM 721 CE1 PHE A 45 4.854 2.251 8.009 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.795 4.397 7.366 1.00 0.00 C ATOM 723 CZ PHE A 45 5.907 3.180 8.060 1.00 0.00 C ATOM 0 H PHE A 45 -0.313 5.271 5.720 1.00 0.00 H new ATOM 0 HA PHE A 45 0.986 2.822 6.818 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.296 3.488 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.366 5.138 5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.894 1.810 7.223 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.542 5.631 6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.937 1.314 8.540 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.607 5.108 7.390 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.798 2.960 8.630 1.00 0.00 H new ATOM 733 N ALA A 46 0.710 4.082 8.999 1.00 0.00 N ATOM 734 CA ALA A 46 0.571 4.742 10.304 1.00 0.00 C ATOM 735 C ALA A 46 -0.430 5.907 10.233 1.00 0.00 C ATOM 736 O ALA A 46 -0.181 7.014 10.713 1.00 0.00 O ATOM 737 CB ALA A 46 1.937 5.132 10.875 1.00 0.00 C ATOM 0 H ALA A 46 0.638 3.066 9.059 1.00 0.00 H new ATOM 0 HA ALA A 46 0.147 4.031 11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.802 5.618 11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.547 4.238 11.001 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.435 5.818 10.190 1.00 0.00 H new ATOM 743 N GLY A 47 -1.545 5.677 9.536 1.00 0.00 N ATOM 744 CA GLY A 47 -2.614 6.644 9.355 1.00 0.00 C ATOM 745 C GLY A 47 -2.357 7.672 8.252 1.00 0.00 C ATOM 746 O GLY A 47 -3.287 8.397 7.903 1.00 0.00 O ATOM 0 H GLY A 47 -1.728 4.787 9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.536 6.109 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.774 7.171 10.296 1.00 0.00 H new ATOM 750 N LYS A 48 -1.143 7.806 7.709 1.00 0.00 N ATOM 751 CA LYS A 48 -0.880 8.774 6.646 1.00 0.00 C ATOM 752 C LYS A 48 -1.400 8.140 5.365 1.00 0.00 C ATOM 753 O LYS A 48 -1.048 7.001 5.053 1.00 0.00 O ATOM 754 CB LYS A 48 0.613 9.135 6.582 1.00 0.00 C ATOM 755 CG LYS A 48 0.914 10.149 5.461 1.00 0.00 C ATOM 756 CD LYS A 48 1.950 11.210 5.864 1.00 0.00 C ATOM 757 CE LYS A 48 1.312 12.304 6.738 1.00 0.00 C ATOM 758 NZ LYS A 48 2.262 13.387 7.081 1.00 0.00 N ATOM 0 H LYS A 48 -0.330 7.257 7.989 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.385 9.724 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.927 9.550 7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.198 8.230 6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.275 9.613 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.012 10.646 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.767 10.736 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.381 11.660 4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.456 12.729 6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.932 11.855 7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.781 14.097 7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.067 12.989 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.606 13.837 6.208 1.00 0.00 H new ATOM 772 N GLN A 49 -2.279 8.853 4.666 1.00 0.00 N ATOM 773 CA GLN A 49 -2.893 8.396 3.433 1.00 0.00 C ATOM 774 C GLN A 49 -1.857 8.477 2.317 1.00 0.00 C ATOM 775 O GLN A 49 -1.149 9.479 2.207 1.00 0.00 O ATOM 776 CB GLN A 49 -4.108 9.273 3.072 1.00 0.00 C ATOM 777 CG GLN A 49 -5.194 9.393 4.159 1.00 0.00 C ATOM 778 CD GLN A 49 -4.856 10.365 5.295 1.00 0.00 C ATOM 779 OE1 GLN A 49 -4.011 11.248 5.163 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.505 10.234 6.435 1.00 0.00 N ATOM 0 H GLN A 49 -2.587 9.783 4.951 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.237 7.370 3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.751 10.274 2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.567 8.871 2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.125 9.712 3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.374 8.406 4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.206 9.500 6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.307 10.866 7.210 1.00 0.00 H new ATOM 789 N LEU A 50 -1.781 7.440 1.485 1.00 0.00 N ATOM 790 CA LEU A 50 -0.841 7.368 0.380 1.00 0.00 C ATOM 791 C LEU A 50 -1.612 7.162 -0.916 1.00 0.00 C ATOM 792 O LEU A 50 -2.734 6.642 -0.919 1.00 0.00 O ATOM 793 CB LEU A 50 0.130 6.182 0.560 1.00 0.00 C ATOM 794 CG LEU A 50 0.726 5.950 1.962 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.547 4.659 1.940 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.624 7.095 2.428 1.00 0.00 C ATOM 0 H LEU A 50 -2.380 6.618 1.565 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.271 8.297 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.393 5.273 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.957 6.317 -0.138 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.107 5.887 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.975 4.483 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.903 3.823 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.349 4.751 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.012 6.871 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.454 7.213 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.047 8.019 2.464 1.00 0.00 H new ATOM 808 N GLU A 51 -1.022 7.596 -2.021 1.00 0.00 N ATOM 809 CA GLU A 51 -1.520 7.475 -3.381 1.00 0.00 C ATOM 810 C GLU A 51 -0.347 7.719 -4.332 1.00 0.00 C ATOM 811 O GLU A 51 0.769 8.013 -3.889 1.00 0.00 O ATOM 812 CB GLU A 51 -2.771 8.318 -3.660 1.00 0.00 C ATOM 813 CG GLU A 51 -2.603 9.834 -3.572 1.00 0.00 C ATOM 814 CD GLU A 51 -3.880 10.513 -3.074 1.00 0.00 C ATOM 815 OE1 GLU A 51 -3.761 11.337 -2.142 1.00 0.00 O ATOM 816 OE2 GLU A 51 -5.003 10.141 -3.509 1.00 0.00 O ATOM 0 H GLU A 51 -0.122 8.074 -1.987 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.895 6.465 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.133 8.072 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.548 8.019 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.778 10.071 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.339 10.229 -4.553 1.00 0.00 H new ATOM 823 N ASP A 52 -0.607 7.617 -5.632 1.00 0.00 N ATOM 824 CA ASP A 52 0.372 7.764 -6.691 1.00 0.00 C ATOM 825 C ASP A 52 0.821 9.205 -6.864 1.00 0.00 C ATOM 826 O ASP A 52 0.212 10.151 -6.364 1.00 0.00 O ATOM 827 CB ASP A 52 -0.160 7.189 -8.012 1.00 0.00 C ATOM 828 CG ASP A 52 -1.320 7.963 -8.629 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.487 7.635 -8.299 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.065 8.835 -9.487 1.00 0.00 O ATOM 0 H ASP A 52 -1.544 7.422 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 52 1.251 7.192 -6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.658 7.154 -8.732 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.478 6.161 -7.841 1.00 0.00 H new ATOM 835 N GLY A 53 1.976 9.316 -7.511 1.00 0.00 N ATOM 836 CA GLY A 53 2.708 10.527 -7.814 1.00 0.00 C ATOM 837 C GLY A 53 3.954 10.577 -6.933 1.00 0.00 C ATOM 838 O GLY A 53 4.956 11.154 -7.350 1.00 0.00 O ATOM 0 H GLY A 53 2.459 8.489 -7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.988 10.546 -8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.083 11.402 -7.635 1.00 0.00 H new ATOM 842 N ARG A 54 3.910 9.987 -5.730 1.00 0.00 N ATOM 843 CA ARG A 54 5.037 9.927 -4.788 1.00 0.00 C ATOM 844 C ARG A 54 5.627 8.523 -4.678 1.00 0.00 C ATOM 845 O ARG A 54 4.974 7.546 -5.069 1.00 0.00 O ATOM 846 CB ARG A 54 4.633 10.528 -3.434 1.00 0.00 C ATOM 847 CG ARG A 54 4.672 12.057 -3.486 1.00 0.00 C ATOM 848 CD ARG A 54 4.418 12.678 -2.110 1.00 0.00 C ATOM 849 NE ARG A 54 3.747 13.970 -2.256 1.00 0.00 N ATOM 850 CZ ARG A 54 3.456 14.851 -1.301 1.00 0.00 C ATOM 851 NH1 ARG A 54 3.877 14.665 -0.055 1.00 0.00 N ATOM 852 NH2 ARG A 54 2.741 15.919 -1.614 1.00 0.00 N ATOM 0 H ARG A 54 3.071 9.528 -5.377 1.00 0.00 H new ATOM 0 HA ARG A 54 5.847 10.541 -5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.630 10.194 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.306 10.169 -2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.643 12.384 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.922 12.416 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.805 12.007 -1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.362 12.808 -1.581 1.00 0.00 H new ATOM 0 HE ARG A 54 3.469 14.227 -3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.430 13.840 0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.648 15.347 0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.423 16.056 -2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.508 16.605 -0.896 1.00 0.00 H new ATOM 866 N THR A 55 6.811 8.423 -4.076 1.00 0.00 N ATOM 867 CA THR A 55 7.559 7.193 -3.854 1.00 0.00 C ATOM 868 C THR A 55 7.728 6.938 -2.355 1.00 0.00 C ATOM 869 O THR A 55 7.405 7.795 -1.526 1.00 0.00 O ATOM 870 CB THR A 55 8.932 7.271 -4.555 1.00 0.00 C ATOM 871 OG1 THR A 55 9.791 8.257 -3.997 1.00 0.00 O ATOM 872 CG2 THR A 55 8.844 7.508 -6.062 1.00 0.00 C ATOM 0 H THR A 55 7.297 9.242 -3.712 1.00 0.00 H new ATOM 0 HA THR A 55 7.002 6.359 -4.281 1.00 0.00 H new ATOM 0 HB THR A 55 9.357 6.282 -4.382 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.292 9.091 -3.869 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.849 7.551 -6.483 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.290 6.692 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.330 8.450 -6.253 1.00 0.00 H new ATOM 880 N LEU A 56 8.205 5.742 -1.989 1.00 0.00 N ATOM 881 CA LEU A 56 8.442 5.374 -0.592 1.00 0.00 C ATOM 882 C LEU A 56 9.313 6.411 0.112 1.00 0.00 C ATOM 883 O LEU A 56 9.053 6.732 1.271 1.00 0.00 O ATOM 884 CB LEU A 56 9.099 3.991 -0.452 1.00 0.00 C ATOM 885 CG LEU A 56 8.089 2.835 -0.391 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.562 2.479 -1.782 1.00 0.00 C ATOM 887 CD2 LEU A 56 8.740 1.606 0.251 1.00 0.00 C ATOM 0 H LEU A 56 8.437 5.004 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 56 7.460 5.337 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.772 3.831 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.709 3.977 0.451 1.00 0.00 H new ATOM 0 HG LEU A 56 7.244 3.159 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.850 1.658 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.067 3.347 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.393 2.178 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.018 0.791 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.601 1.299 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.065 1.853 1.262 1.00 0.00 H new ATOM 899 N SER A 57 10.356 6.892 -0.565 1.00 0.00 N ATOM 900 CA SER A 57 11.292 7.874 -0.056 1.00 0.00 C ATOM 901 C SER A 57 10.570 9.165 0.325 1.00 0.00 C ATOM 902 O SER A 57 10.789 9.677 1.422 1.00 0.00 O ATOM 903 CB SER A 57 12.342 8.122 -1.146 1.00 0.00 C ATOM 904 OG SER A 57 13.389 8.960 -0.714 1.00 0.00 O ATOM 0 H SER A 57 10.573 6.593 -1.516 1.00 0.00 H new ATOM 0 HA SER A 57 11.776 7.507 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.757 7.167 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.859 8.570 -2.014 1.00 0.00 H new ATOM 0 HG SER A 57 14.031 9.085 -1.444 1.00 0.00 H new ATOM 910 N ASP A 58 9.669 9.662 -0.528 1.00 0.00 N ATOM 911 CA ASP A 58 8.926 10.898 -0.279 1.00 0.00 C ATOM 912 C ASP A 58 8.114 10.783 1.004 1.00 0.00 C ATOM 913 O ASP A 58 8.118 11.699 1.828 1.00 0.00 O ATOM 914 CB ASP A 58 7.988 11.246 -1.441 1.00 0.00 C ATOM 915 CG ASP A 58 8.735 11.454 -2.749 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.636 10.565 -3.620 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.464 12.472 -2.856 1.00 0.00 O ATOM 0 H ASP A 58 9.435 9.215 -1.414 1.00 0.00 H new ATOM 0 HA ASP A 58 9.661 11.697 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.258 10.447 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.431 12.151 -1.196 1.00 0.00 H new ATOM 922 N TYR A 59 7.430 9.655 1.191 1.00 0.00 N ATOM 923 CA TYR A 59 6.616 9.393 2.373 1.00 0.00 C ATOM 924 C TYR A 59 7.459 8.889 3.561 1.00 0.00 C ATOM 925 O TYR A 59 6.900 8.624 4.632 1.00 0.00 O ATOM 926 CB TYR A 59 5.526 8.380 1.999 1.00 0.00 C ATOM 927 CG TYR A 59 4.445 8.876 1.052 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.489 9.810 1.498 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.326 8.326 -0.238 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.400 10.159 0.680 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.245 8.681 -1.063 1.00 0.00 C ATOM 932 CZ TYR A 59 2.264 9.585 -0.603 1.00 0.00 C ATOM 933 OH TYR A 59 1.178 9.880 -1.374 1.00 0.00 O ATOM 0 H TYR A 59 7.427 8.890 0.517 1.00 0.00 H new ATOM 0 HA TYR A 59 6.160 10.327 2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.006 7.512 1.547 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.047 8.038 2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.593 10.261 2.474 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.069 7.628 -0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.666 10.868 1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.165 8.260 -2.054 1.00 0.00 H new ATOM 0 HH TYR A 59 1.266 9.439 -2.245 1.00 0.00 H new ATOM 943 N ASN A 60 8.783 8.743 3.398 1.00 0.00 N ATOM 944 CA ASN A 60 9.751 8.268 4.393 1.00 0.00 C ATOM 945 C ASN A 60 9.315 6.913 4.967 1.00 0.00 C ATOM 946 O ASN A 60 9.326 6.673 6.179 1.00 0.00 O ATOM 947 CB ASN A 60 10.054 9.362 5.428 1.00 0.00 C ATOM 948 CG ASN A 60 11.073 8.961 6.496 1.00 0.00 C ATOM 949 OD1 ASN A 60 12.053 8.254 6.265 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.859 9.425 7.713 1.00 0.00 N ATOM 0 H ASN A 60 9.232 8.968 2.511 1.00 0.00 H new ATOM 0 HA ASN A 60 10.712 8.071 3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.422 10.246 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.124 9.646 5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.508 9.198 8.467 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.045 10.011 7.900 1.00 0.00 H new ATOM 957 N ILE A 61 8.942 5.992 4.078 1.00 0.00 N ATOM 958 CA ILE A 61 8.491 4.650 4.422 1.00 0.00 C ATOM 959 C ILE A 61 9.778 3.840 4.557 1.00 0.00 C ATOM 960 O ILE A 61 10.670 3.931 3.713 1.00 0.00 O ATOM 961 CB ILE A 61 7.528 4.115 3.333 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.255 4.992 3.306 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.150 2.644 3.587 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.275 4.703 2.166 1.00 0.00 C ATOM 0 H ILE A 61 8.947 6.167 3.073 1.00 0.00 H new ATOM 0 HA ILE A 61 7.915 4.601 5.346 1.00 0.00 H new ATOM 0 HB ILE A 61 8.035 4.163 2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.730 4.867 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.557 6.037 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.473 2.302 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.051 2.031 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.657 2.557 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.419 5.374 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.774 4.859 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.933 3.670 2.233 1.00 0.00 H new ATOM 976 N GLN A 62 9.903 3.098 5.656 1.00 0.00 N ATOM 977 CA GLN A 62 11.084 2.292 5.942 1.00 0.00 C ATOM 978 C GLN A 62 10.955 0.887 5.369 1.00 0.00 C ATOM 979 O GLN A 62 9.875 0.473 4.944 1.00 0.00 O ATOM 980 CB GLN A 62 11.277 2.203 7.470 1.00 0.00 C ATOM 981 CG GLN A 62 11.340 3.567 8.172 1.00 0.00 C ATOM 982 CD GLN A 62 12.369 4.474 7.507 1.00 0.00 C ATOM 983 OE1 GLN A 62 13.571 4.252 7.630 1.00 0.00 O ATOM 984 NE2 GLN A 62 11.931 5.459 6.743 1.00 0.00 N ATOM 0 H GLN A 62 9.183 3.040 6.376 1.00 0.00 H new ATOM 0 HA GLN A 62 11.945 2.770 5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.458 1.624 7.896 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.196 1.656 7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.359 4.041 8.143 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.596 3.428 9.222 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.929 5.628 6.653 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.595 6.050 6.243 1.00 0.00 H new ATOM 993 N LYS A 63 12.072 0.159 5.340 1.00 0.00 N ATOM 994 CA LYS A 63 12.089 -1.213 4.860 1.00 0.00 C ATOM 995 C LYS A 63 11.410 -2.086 5.911 1.00 0.00 C ATOM 996 O LYS A 63 11.344 -1.703 7.084 1.00 0.00 O ATOM 997 CB LYS A 63 13.515 -1.680 4.554 1.00 0.00 C ATOM 998 CG LYS A 63 14.444 -1.807 5.769 1.00 0.00 C ATOM 999 CD LYS A 63 15.783 -2.360 5.276 1.00 0.00 C ATOM 1000 CE LYS A 63 16.719 -2.664 6.441 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.070 -3.015 5.965 1.00 0.00 N ATOM 0 H LYS A 63 12.981 0.505 5.647 1.00 0.00 H new ATOM 0 HA LYS A 63 11.544 -1.290 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.463 -2.648 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.963 -0.982 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.583 -0.837 6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.008 -2.470 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.613 -3.268 4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.253 -1.639 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.777 -1.797 7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.314 -3.486 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.684 -3.216 6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.016 -3.856 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.464 -2.220 5.423 1.00 0.00 H new ATOM 1015 N GLU A 64 10.899 -3.239 5.495 1.00 0.00 N ATOM 1016 CA GLU A 64 10.207 -4.203 6.338 1.00 0.00 C ATOM 1017 C GLU A 64 9.097 -3.530 7.164 1.00 0.00 C ATOM 1018 O GLU A 64 8.888 -3.867 8.329 1.00 0.00 O ATOM 1019 CB GLU A 64 11.227 -5.042 7.133 1.00 0.00 C ATOM 1020 CG GLU A 64 12.045 -6.000 6.244 1.00 0.00 C ATOM 1021 CD GLU A 64 13.219 -5.356 5.487 1.00 0.00 C ATOM 1022 OE1 GLU A 64 13.163 -5.198 4.241 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.257 -5.089 6.134 1.00 0.00 O ATOM 0 H GLU A 64 10.959 -3.539 4.522 1.00 0.00 H new ATOM 0 HA GLU A 64 9.668 -4.924 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.908 -4.373 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.700 -5.621 7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.435 -6.804 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.373 -6.457 5.517 1.00 0.00 H new ATOM 1030 N SER A 65 8.424 -2.532 6.579 1.00 0.00 N ATOM 1031 CA SER A 65 7.326 -1.768 7.163 1.00 0.00 C ATOM 1032 C SER A 65 6.017 -2.554 7.010 1.00 0.00 C ATOM 1033 O SER A 65 5.963 -3.516 6.248 1.00 0.00 O ATOM 1034 CB SER A 65 7.244 -0.385 6.503 1.00 0.00 C ATOM 1035 OG SER A 65 7.426 -0.462 5.104 1.00 0.00 O ATOM 0 H SER A 65 8.647 -2.222 5.633 1.00 0.00 H new ATOM 0 HA SER A 65 7.503 -1.614 8.228 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.275 0.065 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.002 0.269 6.933 1.00 0.00 H new ATOM 0 HG SER A 65 8.145 0.147 4.834 1.00 0.00 H new ATOM 1041 N THR A 66 4.965 -2.180 7.740 1.00 0.00 N ATOM 1042 CA THR A 66 3.656 -2.828 7.692 1.00 0.00 C ATOM 1043 C THR A 66 2.632 -1.733 7.405 1.00 0.00 C ATOM 1044 O THR A 66 2.374 -0.872 8.245 1.00 0.00 O ATOM 1045 CB THR A 66 3.386 -3.615 8.985 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.556 -4.262 9.453 1.00 0.00 O ATOM 1047 CG2 THR A 66 2.359 -4.722 8.744 1.00 0.00 C ATOM 0 H THR A 66 5.002 -1.400 8.396 1.00 0.00 H new ATOM 0 HA THR A 66 3.599 -3.576 6.901 1.00 0.00 H new ATOM 0 HB THR A 66 3.027 -2.887 9.712 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.352 -4.752 10.277 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.184 -5.265 9.673 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.423 -4.282 8.400 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.736 -5.410 7.987 1.00 0.00 H new ATOM 1055 N LEU A 67 2.109 -1.724 6.181 1.00 0.00 N ATOM 1056 CA LEU A 67 1.129 -0.765 5.697 1.00 0.00 C ATOM 1057 C LEU A 67 -0.271 -1.377 5.805 1.00 0.00 C ATOM 1058 O LEU A 67 -0.422 -2.579 6.034 1.00 0.00 O ATOM 1059 CB LEU A 67 1.469 -0.371 4.248 1.00 0.00 C ATOM 1060 CG LEU A 67 2.762 0.461 4.090 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.068 -0.332 4.257 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.786 1.089 2.699 1.00 0.00 C ATOM 0 H LEU A 67 2.369 -2.413 5.475 1.00 0.00 H new ATOM 0 HA LEU A 67 1.151 0.141 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.562 -1.279 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.635 0.197 3.835 1.00 0.00 H new ATOM 0 HG LEU A 67 2.729 1.198 4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.919 0.337 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.101 -0.774 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.112 -1.123 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.696 1.677 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.762 0.303 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.917 1.736 2.577 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.300 -0.542 5.709 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.709 -0.907 5.776 1.00 0.00 C ATOM 1076 C HIS A 68 -3.437 -0.521 4.484 1.00 0.00 C ATOM 1077 O HIS A 68 -2.983 0.361 3.755 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.324 -0.206 6.992 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.044 -0.910 8.297 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.216 -0.469 9.308 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -3.682 -2.036 8.746 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.386 -1.290 10.360 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -3.265 -2.262 10.059 1.00 0.00 N ATOM 0 H HIS A 68 -1.166 0.460 5.575 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.811 -1.987 5.884 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.939 0.812 7.048 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.402 -0.132 6.852 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.381 -2.639 8.186 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.887 -1.183 11.312 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.569 -3.019 10.672 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.568 -1.171 4.201 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.424 -0.926 3.037 1.00 0.00 C ATOM 1093 C LEU A 69 -6.823 -0.598 3.557 1.00 0.00 C ATOM 1094 O LEU A 69 -7.349 -1.376 4.357 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.430 -2.139 2.102 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.148 -2.274 1.262 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -4.024 -3.694 0.706 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.140 -1.283 0.095 1.00 0.00 C ATOM 0 H LEU A 69 -4.928 -1.913 4.801 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.047 -0.090 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.563 -3.044 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.287 -2.067 1.433 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.304 -2.056 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.112 -3.775 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.985 -4.406 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.886 -3.915 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.221 -1.404 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.998 -1.473 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.195 -0.265 0.481 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.424 0.537 3.176 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.757 0.930 3.658 1.00 0.00 C ATOM 1112 C VAL A 70 -9.640 1.582 2.585 1.00 0.00 C ATOM 1113 O VAL A 70 -9.196 1.841 1.461 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.611 1.891 4.863 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.707 1.342 5.977 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.131 3.290 4.444 1.00 0.00 C ATOM 0 H VAL A 70 -7.004 1.205 2.530 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.260 0.009 3.952 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.619 1.976 5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.650 2.067 6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.121 0.407 6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.708 1.163 5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.045 3.925 5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.159 3.211 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.848 3.728 3.750 1.00 0.00 H new ATOM 1126 N LEU A 71 -10.912 1.815 2.938 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.932 2.469 2.125 1.00 0.00 C ATOM 1128 C LEU A 71 -12.815 3.349 3.024 1.00 0.00 C ATOM 1129 O LEU A 71 -12.526 3.553 4.206 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.746 1.445 1.300 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.856 0.698 2.082 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -15.203 0.792 1.360 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.485 -0.764 2.308 1.00 0.00 C ATOM 0 H LEU A 71 -11.271 1.534 3.851 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.449 3.116 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.204 1.964 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.058 0.708 0.885 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.950 1.185 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.961 0.258 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.491 1.839 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.117 0.346 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.283 -1.261 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.347 -1.257 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.559 -0.820 2.881 1.00 0.00 H new