USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 -50:sc= 0.627 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0213 USER MOD Single : A 1 MET CE :methyl -150:sc=-0.00869 (180deg=-0.251) USER MOD Single : A 1 MET N :NH3+ 166:sc= 2.36 (180deg=2.17) USER MOD Single : A 2 GLN : amide:sc= -0.0124 X(o=-0.012,f=0.012) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 54:sc= 0.00835 USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= 1.21 (180deg=1.14) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0741 USER MOD Single : A 25 ASN : amide:sc= -0.0449 X(o=-0.045,f=-0.33) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 1.26 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1.16 (180deg=0.927) USER MOD Single : A 31 GLN : amide:sc= -0.0257 K(o=-0.026,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0286 K(o=-0.029,f=-0.71) USER MOD Single : A 41 GLN : amide:sc= 0.456 K(o=0.46,f=-1.9!) 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=-0.24) USER MOD Single : A 59 TYR OH : rot 150:sc= 0.292 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.015 K(o=-0.015,f=-0.88) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 1.28 (180deg=0.398) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.0064) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.424 -7.249 -4.858 1.00 9.67 N ATOM 2 CA MET A 1 11.455 -7.827 -3.534 1.00 10.38 C ATOM 3 C MET A 1 10.045 -7.978 -3.007 1.00 9.62 C ATOM 4 O MET A 1 9.154 -7.270 -3.395 1.00 9.62 O ATOM 5 CB MET A 1 12.377 -6.922 -2.622 1.00 13.77 C ATOM 6 CG MET A 1 11.780 -5.463 -2.406 1.00 16.29 C ATOM 7 SD MET A 1 12.510 -4.416 -0.984 1.00 17.17 S ATOM 8 CE MET A 1 11.021 -3.488 -0.757 1.00 16.11 C ATOM 0 H1 MET A 1 12.378 -6.929 -5.120 1.00 9.67 H new ATOM 0 H2 MET A 1 11.099 -7.963 -5.541 1.00 9.67 H new ATOM 0 H3 MET A 1 10.773 -6.438 -4.868 1.00 9.67 H new ATOM 0 HA MET A 1 11.881 -8.830 -3.544 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.509 -7.404 -1.653 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.365 -6.843 -3.076 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.908 -4.906 -3.334 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.708 -5.559 -2.237 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.266 -2.490 -0.394 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.493 -3.409 -1.707 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.385 -3.992 -0.029 1.00 16.11 H new ATOM 20 N GLN A 2 9.776 -8.960 -2.125 1.00 9.27 N ATOM 21 CA GLN A 2 8.433 -9.191 -1.598 1.00 9.07 C ATOM 22 C GLN A 2 8.082 -8.450 -0.306 1.00 8.72 C ATOM 23 O GLN A 2 8.855 -8.298 0.604 1.00 8.22 O ATOM 24 CB GLN A 2 8.256 -10.732 -1.442 1.00 14.46 C ATOM 25 CG GLN A 2 6.834 -11.266 -0.985 1.00 17.01 C ATOM 26 CD GLN A 2 6.857 -12.766 -0.845 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.778 -13.305 0.286 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.071 -13.393 -2.008 1.00 19.49 N ATOM 0 H GLN A 2 10.480 -9.605 -1.766 1.00 9.27 H new ATOM 0 HA GLN A 2 7.727 -8.767 -2.313 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.498 -11.196 -2.398 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.994 -11.084 -0.721 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.555 -10.810 -0.035 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.077 -10.974 -1.713 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.118 -12.858 -2.875 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.187 -14.406 -2.027 1.00 19.49 H new ATOM 37 N ILE A 3 6.881 -7.876 -0.226 1.00 5.87 N ATOM 38 CA ILE A 3 6.446 -7.148 0.941 1.00 5.07 C ATOM 39 C ILE A 3 5.044 -7.652 1.272 1.00 4.01 C ATOM 40 O ILE A 3 4.459 -8.343 0.466 1.00 4.61 O ATOM 41 CB ILE A 3 6.444 -5.627 0.773 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.489 -5.034 -0.295 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.890 -5.198 0.614 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.580 -3.507 -0.458 1.00 10.83 C ATOM 0 H ILE A 3 6.190 -7.909 -0.976 1.00 5.87 H new ATOM 0 HA ILE A 3 7.156 -7.331 1.747 1.00 5.07 H new ATOM 0 HB ILE A 3 6.000 -5.196 1.670 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.704 -5.502 -1.256 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.464 -5.298 -0.034 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.937 -4.116 0.491 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.455 -5.487 1.500 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.319 -5.682 -0.263 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.878 -3.180 -1.225 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.334 -3.025 0.488 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.593 -3.232 -0.753 1.00 10.83 H new ATOM 56 N PHE A 4 4.520 -7.361 2.512 1.00 4.55 N ATOM 57 CA PHE A 4 3.196 -7.830 2.975 1.00 4.68 C ATOM 58 C PHE A 4 2.384 -6.568 3.240 1.00 5.30 C ATOM 59 O PHE A 4 2.886 -5.559 3.699 1.00 5.58 O ATOM 60 CB PHE A 4 3.193 -8.701 4.257 1.00 4.83 C ATOM 61 CG PHE A 4 4.098 -9.795 4.020 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.785 -10.835 3.118 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.362 -9.858 4.672 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.654 -11.902 2.882 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.228 -10.913 4.491 1.00 10.61 C ATOM 66 CZ PHE A 4 5.891 -11.916 3.579 1.00 8.90 C ATOM 0 H PHE A 4 5.014 -6.796 3.203 1.00 4.55 H new ATOM 0 HA PHE A 4 2.792 -8.485 2.203 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.510 -8.117 5.121 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.190 -9.069 4.472 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.842 -10.804 2.593 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.651 -9.052 5.330 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.394 -12.691 2.192 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.153 -10.964 5.045 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.588 -12.721 3.400 1.00 8.90 H new ATOM 76 N VAL A 5 1.093 -6.688 2.920 1.00 4.44 N ATOM 77 CA VAL A 5 0.113 -5.621 3.219 1.00 3.87 C ATOM 78 C VAL A 5 -1.036 -6.226 4.007 1.00 4.93 C ATOM 79 O VAL A 5 -1.796 -7.089 3.558 1.00 6.84 O ATOM 80 CB VAL A 5 -0.422 -4.893 1.938 1.00 2.99 C ATOM 81 CG1 VAL A 5 -0.978 -3.541 2.444 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.738 -4.684 0.958 1.00 9.13 C ATOM 0 H VAL A 5 0.696 -7.505 2.456 1.00 4.44 H new ATOM 0 HA VAL A 5 0.622 -4.855 3.804 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.190 -5.461 1.413 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.372 -2.972 1.602 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.775 -3.722 3.165 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.179 -2.975 2.922 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.373 -4.178 0.064 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.508 -4.075 1.431 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.159 -5.651 0.681 1.00 9.13 H new ATOM 92 N LYS A 6 -1.161 -5.800 5.281 1.00 6.04 N ATOM 93 CA LYS A 6 -2.155 -6.453 6.221 1.00 6.12 C ATOM 94 C LYS A 6 -3.280 -5.483 6.590 1.00 6.57 C ATOM 95 O LYS A 6 -3.123 -4.275 6.472 1.00 5.76 O ATOM 96 CB LYS A 6 -1.508 -6.771 7.579 1.00 7.45 C ATOM 97 CG LYS A 6 -0.381 -7.789 7.493 1.00 11.12 C ATOM 98 CD LYS A 6 0.110 -8.290 8.865 1.00 14.54 C ATOM 99 CE LYS A 6 -0.830 -9.291 9.525 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.168 -10.121 10.542 1.00 20.55 N ATOM 0 H LYS A 6 -0.619 -5.039 5.691 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.509 -7.342 5.698 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.121 -5.849 8.013 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.274 -7.146 8.258 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.719 -8.642 6.905 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.458 -7.344 6.957 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.090 -8.751 8.744 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.240 -7.435 9.529 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.658 -8.753 9.987 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.258 -9.938 8.759 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.858 -10.781 10.954 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.605 -10.659 10.101 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.218 -9.511 11.291 1.00 20.55 H new ATOM 114 N THR A 7 -4.424 -6.030 7.093 1.00 7.41 N ATOM 115 CA THR A 7 -5.609 -5.337 7.517 1.00 7.48 C ATOM 116 C THR A 7 -5.969 -5.773 8.952 1.00 8.75 C ATOM 117 O THR A 7 -5.462 -6.787 9.475 1.00 8.58 O ATOM 118 CB THR A 7 -6.919 -5.689 6.677 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.158 -7.140 6.673 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.710 -5.262 5.235 1.00 9.17 C ATOM 0 H THR A 7 -4.517 -7.039 7.208 1.00 7.41 H new ATOM 0 HA THR A 7 -5.363 -4.282 7.401 1.00 7.48 H new ATOM 0 HB THR A 7 -7.766 -5.173 7.130 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.966 -7.337 6.155 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.601 -5.499 4.653 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.526 -4.188 5.196 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.853 -5.792 4.819 1.00 9.17 H new ATOM 128 N LEU A 8 -6.864 -5.030 9.634 1.00 9.84 N ATOM 129 CA LEU A 8 -7.257 -5.417 10.988 1.00 14.15 C ATOM 130 C LEU A 8 -7.903 -6.853 11.009 1.00 17.37 C ATOM 131 O LEU A 8 -7.578 -7.692 11.825 1.00 17.01 O ATOM 132 CB LEU A 8 -8.429 -4.532 11.565 1.00 16.63 C ATOM 133 CG LEU A 8 -7.962 -3.181 11.862 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.155 -2.225 11.983 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.007 -3.119 13.111 1.00 18.59 C ATOM 0 H LEU A 8 -7.312 -4.186 9.277 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.333 -5.327 11.560 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.246 -4.489 10.845 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.826 -4.992 12.470 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.347 -2.852 11.024 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.795 -1.220 12.205 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.709 -2.213 11.044 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.810 -2.561 12.786 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.695 -2.088 13.279 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.535 -3.487 13.991 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.129 -3.739 12.929 1.00 18.59 H new ATOM 147 N THR A 9 -8.778 -7.190 10.098 1.00 18.33 N ATOM 148 CA THR A 9 -9.652 -8.346 10.082 1.00 19.24 C ATOM 149 C THR A 9 -9.024 -9.555 9.330 1.00 19.48 C ATOM 150 O THR A 9 -9.526 -9.993 8.283 1.00 23.14 O ATOM 151 CB THR A 9 -11.125 -8.055 9.567 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.046 -7.401 8.308 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.788 -7.077 10.537 1.00 19.70 C ATOM 0 H THR A 9 -8.913 -6.611 9.269 1.00 18.33 H new ATOM 0 HA THR A 9 -9.756 -8.615 11.133 1.00 19.24 H new ATOM 0 HB THR A 9 -11.684 -8.988 9.493 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.492 -7.932 7.698 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.803 -6.863 10.201 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.821 -7.518 11.533 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.214 -6.151 10.569 1.00 19.70 H new ATOM 161 N GLY A 10 -7.957 -10.110 9.844 1.00 19.43 N ATOM 162 CA GLY A 10 -7.366 -11.418 9.456 1.00 18.74 C ATOM 163 C GLY A 10 -7.101 -11.687 7.980 1.00 17.62 C ATOM 164 O GLY A 10 -7.465 -12.758 7.489 1.00 19.74 O ATOM 0 H GLY A 10 -7.428 -9.656 10.589 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.420 -11.525 9.987 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.028 -12.203 9.822 1.00 18.74 H new ATOM 168 N LYS A 11 -6.466 -10.766 7.268 1.00 13.56 N ATOM 169 CA LYS A 11 -6.143 -10.981 5.880 1.00 11.91 C ATOM 170 C LYS A 11 -4.772 -10.248 5.555 1.00 10.18 C ATOM 171 O LYS A 11 -4.539 -9.169 6.055 1.00 9.10 O ATOM 172 CB LYS A 11 -7.224 -10.513 4.906 1.00 13.43 C ATOM 173 CG LYS A 11 -6.827 -10.699 3.499 1.00 16.69 C ATOM 174 CD LYS A 11 -7.980 -10.547 2.458 1.00 17.92 C ATOM 175 CE LYS A 11 -8.522 -9.176 2.455 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.595 -8.951 1.455 1.00 21.93 N ATOM 0 H LYS A 11 -6.167 -9.863 7.637 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.063 -12.059 5.738 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.145 -11.063 5.097 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.439 -9.459 5.084 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.046 -9.977 3.260 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.389 -11.691 3.390 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.610 -10.796 1.463 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.776 -11.255 2.688 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.911 -8.949 3.447 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.709 -8.476 2.263 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.621 -7.945 1.194 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.405 -9.523 0.608 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -10.512 -9.227 1.861 1.00 21.93 H new ATOM 190 N THR A 12 -3.913 -10.837 4.716 1.00 9.63 N ATOM 191 CA THR A 12 -2.649 -10.331 4.282 1.00 9.85 C ATOM 192 C THR A 12 -2.552 -10.465 2.774 1.00 11.66 C ATOM 193 O THR A 12 -2.719 -11.531 2.245 1.00 12.33 O ATOM 194 CB THR A 12 -1.508 -11.130 4.883 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.528 -11.032 6.263 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.143 -10.477 4.533 1.00 9.63 C ATOM 0 H THR A 12 -4.119 -11.747 4.304 1.00 9.63 H new ATOM 0 HA THR A 12 -2.575 -9.290 4.598 1.00 9.85 H new ATOM 0 HB THR A 12 -1.620 -12.147 4.507 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.788 -11.553 6.639 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.664 -11.063 4.972 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.021 -10.446 3.450 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.112 -9.463 4.931 1.00 9.63 H new ATOM 204 N ILE A 13 -2.237 -9.324 2.140 1.00 10.42 N ATOM 205 CA ILE A 13 -1.853 -9.259 0.768 1.00 11.84 C ATOM 206 C ILE A 13 -0.334 -9.306 0.582 1.00 10.55 C ATOM 207 O ILE A 13 0.390 -8.602 1.233 1.00 11.92 O ATOM 208 CB ILE A 13 -2.530 -8.099 0.079 1.00 14.86 C ATOM 209 CG1 ILE A 13 -4.086 -8.084 0.295 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.193 -8.128 -1.426 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.625 -7.277 1.444 1.00 16.46 C ATOM 0 H ILE A 13 -2.250 -8.414 2.600 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.210 -10.160 0.268 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.149 -7.182 0.529 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.548 -7.714 -0.620 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -4.416 -9.115 0.425 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.681 -7.291 -1.924 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.114 -8.050 -1.559 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.545 -9.064 -1.860 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.712 -7.360 1.469 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.210 -7.654 2.379 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.344 -6.231 1.318 1.00 16.46 H new ATOM 223 N THR A 14 0.179 -10.223 -0.282 1.00 9.39 N ATOM 224 CA THR A 14 1.555 -10.569 -0.564 1.00 9.63 C ATOM 225 C THR A 14 1.869 -9.956 -1.896 1.00 11.20 C ATOM 226 O THR A 14 1.292 -10.325 -2.893 1.00 11.63 O ATOM 227 CB THR A 14 1.855 -12.063 -0.748 1.00 10.38 C ATOM 228 OG1 THR A 14 1.569 -12.824 0.422 1.00 16.30 O ATOM 229 CG2 THR A 14 3.361 -12.255 -0.949 1.00 11.66 C ATOM 0 H THR A 14 -0.453 -10.788 -0.850 1.00 9.39 H new ATOM 0 HA THR A 14 2.132 -10.225 0.295 1.00 9.63 H new ATOM 0 HB THR A 14 1.245 -12.389 -1.590 1.00 10.38 H new ATOM 0 HG1 THR A 14 1.774 -13.768 0.256 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.578 -13.315 -1.080 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.683 -11.706 -1.834 1.00 11.66 H new ATOM 0 HG23 THR A 14 3.895 -11.880 -0.076 1.00 11.66 H new ATOM 237 N LEU A 15 2.808 -8.990 -1.914 1.00 8.29 N ATOM 238 CA LEU A 15 3.110 -8.350 -3.192 1.00 9.03 C ATOM 239 C LEU A 15 4.622 -8.358 -3.513 1.00 8.59 C ATOM 240 O LEU A 15 5.501 -8.216 -2.633 1.00 7.79 O ATOM 241 CB LEU A 15 2.733 -6.875 -3.209 1.00 11.08 C ATOM 242 CG LEU A 15 1.256 -6.481 -2.900 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.070 -4.944 -2.879 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.341 -7.069 -3.969 1.00 15.27 C ATOM 0 H LEU A 15 3.337 -8.657 -1.108 1.00 8.29 H new ATOM 0 HA LEU A 15 2.533 -8.928 -3.914 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.371 -6.362 -2.489 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.982 -6.480 -4.194 1.00 11.08 H new ATOM 0 HG LEU A 15 1.004 -6.875 -1.916 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.029 -4.706 -2.661 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.710 -4.511 -2.110 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.340 -4.531 -3.851 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.692 -6.795 -3.755 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.625 -6.678 -4.946 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.435 -8.155 -3.971 1.00 15.27 H new ATOM 256 N GLU A 16 4.899 -8.562 -4.801 1.00 11.04 N ATOM 257 CA GLU A 16 6.211 -8.312 -5.368 1.00 11.50 C ATOM 258 C GLU A 16 6.356 -6.887 -5.898 1.00 10.13 C ATOM 259 O GLU A 16 5.530 -6.455 -6.639 1.00 9.83 O ATOM 260 CB GLU A 16 6.344 -9.349 -6.496 1.00 17.22 C ATOM 261 CG GLU A 16 7.643 -9.439 -7.285 1.00 23.33 C ATOM 262 CD GLU A 16 8.846 -9.706 -6.368 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.944 -10.760 -5.741 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.720 -8.827 -6.217 1.00 28.90 O ATOM 0 H GLU A 16 4.215 -8.905 -5.475 1.00 11.04 H new ATOM 0 HA GLU A 16 6.997 -8.406 -4.618 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.158 -10.331 -6.060 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.542 -9.160 -7.209 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.565 -10.236 -8.025 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.802 -8.510 -7.833 1.00 23.33 H new ATOM 271 N VAL A 17 7.324 -6.132 -5.420 1.00 8.99 N ATOM 272 CA VAL A 17 7.610 -4.752 -5.724 1.00 8.85 C ATOM 273 C VAL A 17 9.035 -4.558 -6.101 1.00 8.04 C ATOM 274 O VAL A 17 9.911 -5.286 -5.705 1.00 8.99 O ATOM 275 CB VAL A 17 7.133 -3.841 -4.571 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.646 -3.925 -4.305 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.002 -4.151 -3.356 1.00 10.54 C ATOM 0 H VAL A 17 7.991 -6.508 -4.746 1.00 8.99 H new ATOM 0 HA VAL A 17 7.044 -4.455 -6.607 1.00 8.85 H new ATOM 0 HB VAL A 17 7.262 -2.795 -4.850 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.385 -3.259 -3.483 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.099 -3.629 -5.200 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.381 -4.949 -4.040 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.694 -3.525 -2.519 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.888 -5.201 -3.085 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.046 -3.949 -3.595 1.00 10.54 H new ATOM 287 N GLU A 18 9.331 -3.471 -6.807 1.00 7.29 N ATOM 288 CA GLU A 18 10.686 -2.978 -6.949 1.00 7.08 C ATOM 289 C GLU A 18 10.790 -1.637 -6.157 1.00 6.45 C ATOM 290 O GLU A 18 9.910 -0.824 -6.273 1.00 5.28 O ATOM 291 CB GLU A 18 11.041 -2.733 -8.411 1.00 10.28 C ATOM 292 CG GLU A 18 11.150 -3.969 -9.298 1.00 12.65 C ATOM 293 CD GLU A 18 12.210 -4.959 -8.998 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.080 -5.853 -8.149 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.233 -4.888 -9.720 1.00 14.33 O ATOM 0 H GLU A 18 8.633 -2.910 -7.295 1.00 7.29 H new ATOM 0 HA GLU A 18 11.382 -3.722 -6.562 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.289 -2.070 -8.839 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.992 -2.201 -8.447 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.192 -4.488 -9.264 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.293 -3.630 -10.324 1.00 12.65 H new ATOM 302 N PRO A 19 11.826 -1.384 -5.248 1.00 7.24 N ATOM 303 CA PRO A 19 11.887 -0.236 -4.340 1.00 7.07 C ATOM 304 C PRO A 19 11.693 1.150 -4.933 1.00 6.65 C ATOM 305 O PRO A 19 11.230 2.084 -4.234 1.00 6.37 O ATOM 306 CB PRO A 19 13.245 -0.300 -3.570 1.00 7.61 C ATOM 307 CG PRO A 19 13.579 -1.785 -3.608 1.00 8.16 C ATOM 308 CD PRO A 19 12.839 -2.349 -4.863 1.00 7.49 C ATOM 0 HA PRO A 19 11.015 -0.345 -3.695 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.014 0.301 -4.055 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.149 0.068 -2.548 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.655 -1.943 -3.683 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.246 -2.285 -2.699 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.542 -2.513 -5.680 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.383 -3.313 -4.637 1.00 7.49 H new ATOM 316 N SER A 20 11.931 1.413 -6.250 1.00 6.80 N ATOM 317 CA SER A 20 11.806 2.703 -6.832 1.00 6.28 C ATOM 318 C SER A 20 10.449 2.905 -7.335 1.00 8.45 C ATOM 319 O SER A 20 10.150 4.000 -7.797 1.00 7.26 O ATOM 320 CB SER A 20 12.766 2.910 -7.978 1.00 8.57 C ATOM 321 OG SER A 20 14.098 2.508 -7.579 1.00 11.13 O ATOM 0 H SER A 20 12.218 0.695 -6.915 1.00 6.80 H new ATOM 0 HA SER A 20 12.038 3.421 -6.045 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.445 2.330 -8.843 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.767 3.958 -8.279 1.00 8.57 H new ATOM 0 HG SER A 20 14.718 2.642 -8.326 1.00 11.13 H new ATOM 327 N ASP A 21 9.501 1.923 -7.313 1.00 7.50 N ATOM 328 CA ASP A 21 8.096 2.155 -7.676 1.00 7.70 C ATOM 329 C ASP A 21 7.235 2.904 -6.640 1.00 7.08 C ATOM 330 O ASP A 21 7.520 2.920 -5.451 1.00 8.11 O ATOM 331 CB ASP A 21 7.453 0.864 -8.103 1.00 11.00 C ATOM 332 CG ASP A 21 7.826 0.578 -9.524 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.493 1.365 -10.470 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.362 -0.534 -9.716 1.00 14.36 O ATOM 0 H ASP A 21 9.701 0.960 -7.043 1.00 7.50 H new ATOM 0 HA ASP A 21 8.136 2.853 -8.512 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.780 0.049 -7.457 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.370 0.933 -8.005 1.00 11.00 H new ATOM 339 N THR A 22 6.063 3.495 -7.014 1.00 5.37 N ATOM 340 CA THR A 22 5.356 4.442 -6.156 1.00 6.01 C ATOM 341 C THR A 22 4.376 3.801 -5.287 1.00 8.01 C ATOM 342 O THR A 22 3.930 2.656 -5.536 1.00 8.11 O ATOM 343 CB THR A 22 4.758 5.615 -6.848 1.00 8.92 C ATOM 344 OG1 THR A 22 3.726 5.253 -7.777 1.00 10.22 O ATOM 345 CG2 THR A 22 5.848 6.380 -7.674 1.00 9.65 C ATOM 0 H THR A 22 5.603 3.320 -7.907 1.00 5.37 H new ATOM 0 HA THR A 22 6.156 4.848 -5.537 1.00 6.01 H new ATOM 0 HB THR A 22 4.335 6.233 -6.056 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.369 6.061 -8.200 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.392 7.235 -8.173 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.635 6.728 -7.004 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.276 5.710 -8.420 1.00 9.65 H new ATOM 353 N ILE A 23 3.774 4.539 -4.333 1.00 8.32 N ATOM 354 CA ILE A 23 2.635 4.149 -3.524 1.00 9.92 C ATOM 355 C ILE A 23 1.369 3.917 -4.423 1.00 10.01 C ATOM 356 O ILE A 23 0.587 3.010 -4.101 1.00 8.71 O ATOM 357 CB ILE A 23 2.369 5.103 -2.358 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.621 5.347 -1.472 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.131 4.717 -1.484 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.151 4.046 -0.848 1.00 12.30 C ATOM 0 H ILE A 23 4.101 5.478 -4.104 1.00 8.32 H new ATOM 0 HA ILE A 23 2.884 3.198 -3.054 1.00 9.92 H new ATOM 0 HB ILE A 23 2.120 6.046 -2.844 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.406 5.806 -2.073 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.372 6.053 -0.680 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.012 5.443 -0.680 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.235 4.713 -2.104 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.282 3.725 -1.058 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.027 4.266 -0.237 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.376 3.600 -0.225 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.426 3.349 -1.639 1.00 12.30 H new ATOM 372 N GLU A 24 1.176 4.666 -5.473 1.00 9.54 N ATOM 373 CA GLU A 24 0.136 4.387 -6.529 1.00 11.81 C ATOM 374 C GLU A 24 0.271 3.012 -7.175 1.00 11.14 C ATOM 375 O GLU A 24 -0.721 2.308 -7.502 1.00 10.62 O ATOM 376 CB GLU A 24 0.237 5.499 -7.663 1.00 19.24 C ATOM 377 CG GLU A 24 -0.618 5.225 -8.887 1.00 27.76 C ATOM 378 CD GLU A 24 -0.569 6.404 -9.866 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.523 6.994 -10.131 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.670 6.740 -10.374 1.00 34.80 O ATOM 0 H GLU A 24 1.723 5.507 -5.658 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.832 4.407 -6.028 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.054 6.460 -7.239 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.278 5.590 -7.974 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.269 4.320 -9.384 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.649 5.043 -8.582 1.00 27.76 H new ATOM 387 N ASN A 25 1.542 2.571 -7.344 1.00 9.43 N ATOM 388 CA ASN A 25 1.886 1.296 -7.963 1.00 10.96 C ATOM 389 C ASN A 25 1.339 0.144 -7.136 1.00 9.68 C ATOM 390 O ASN A 25 0.904 -0.909 -7.617 1.00 9.33 O ATOM 391 CB ASN A 25 3.384 1.244 -8.380 1.00 16.78 C ATOM 392 CG ASN A 25 3.727 0.020 -9.159 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.459 -0.860 -8.677 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.127 -0.185 -10.333 1.00 24.70 N ATOM 0 H ASN A 25 2.357 3.108 -7.046 1.00 9.43 H new ATOM 0 HA ASN A 25 1.383 1.182 -8.923 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.621 2.126 -8.975 1.00 16.78 H new ATOM 0 HB3 ASN A 25 4.006 1.286 -7.486 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.270 -1.063 -10.832 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.525 0.536 -10.731 1.00 24.70 H new ATOM 401 N VAL A 26 1.389 0.360 -5.808 1.00 6.52 N ATOM 402 CA VAL A 26 1.031 -0.656 -4.833 1.00 5.53 C ATOM 403 C VAL A 26 -0.444 -0.856 -4.743 1.00 4.42 C ATOM 404 O VAL A 26 -0.888 -1.999 -4.659 1.00 3.40 O ATOM 405 CB VAL A 26 1.471 -0.240 -3.380 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.125 -1.335 -2.330 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.014 0.090 -3.384 1.00 8.12 C ATOM 0 H VAL A 26 1.680 1.246 -5.394 1.00 6.52 H new ATOM 0 HA VAL A 26 1.536 -1.560 -5.173 1.00 5.53 H new ATOM 0 HB VAL A 26 0.913 0.649 -3.086 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.446 -1.006 -1.342 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.048 -1.506 -2.323 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.638 -2.262 -2.588 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.327 0.379 -2.381 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.574 -0.791 -3.699 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.209 0.910 -4.075 1.00 8.12 H new ATOM 417 N LYS A 27 -1.183 0.266 -4.952 1.00 2.64 N ATOM 418 CA LYS A 27 -2.595 0.184 -4.878 1.00 4.14 C ATOM 419 C LYS A 27 -3.038 -0.498 -6.142 1.00 5.58 C ATOM 420 O LYS A 27 -4.003 -1.200 -6.141 1.00 4.11 O ATOM 421 CB LYS A 27 -3.243 1.556 -4.840 1.00 3.97 C ATOM 422 CG LYS A 27 -2.998 2.262 -3.496 1.00 7.45 C ATOM 423 CD LYS A 27 -3.820 3.567 -3.354 1.00 9.02 C ATOM 424 CE LYS A 27 -3.195 4.372 -2.242 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.991 5.614 -1.887 1.00 15.47 N ATOM 0 H LYS A 27 -0.805 1.189 -5.164 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.883 -0.347 -3.971 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.847 2.168 -5.650 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.315 1.457 -5.009 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.254 1.585 -2.681 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.937 2.492 -3.398 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.812 4.130 -4.287 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.862 3.342 -3.127 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.099 3.744 -1.356 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.187 4.665 -2.536 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.340 6.374 -1.605 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.543 5.920 -2.713 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.636 5.400 -1.100 1.00 15.47 H new ATOM 439 N ALA A 28 -2.288 -0.352 -7.218 1.00 6.61 N ATOM 440 CA ALA A 28 -2.556 -1.119 -8.432 1.00 7.74 C ATOM 441 C ALA A 28 -2.435 -2.660 -8.305 1.00 9.17 C ATOM 442 O ALA A 28 -3.150 -3.441 -8.915 1.00 11.45 O ATOM 443 CB ALA A 28 -1.656 -0.597 -9.561 1.00 7.68 C ATOM 0 H ALA A 28 -1.493 0.284 -7.282 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.611 -0.959 -8.653 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.849 -1.164 -10.472 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.869 0.457 -9.738 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.610 -0.713 -9.276 1.00 7.68 H new ATOM 449 N LYS A 29 -1.426 -3.127 -7.588 1.00 8.96 N ATOM 450 CA LYS A 29 -1.044 -4.495 -7.289 1.00 7.90 C ATOM 451 C LYS A 29 -2.032 -5.118 -6.334 1.00 6.92 C ATOM 452 O LYS A 29 -2.501 -6.248 -6.473 1.00 6.87 O ATOM 453 CB LYS A 29 0.343 -4.607 -6.714 1.00 10.28 C ATOM 454 CG LYS A 29 1.389 -4.185 -7.773 1.00 14.94 C ATOM 455 CD LYS A 29 2.788 -4.105 -7.150 1.00 19.69 C ATOM 456 CE LYS A 29 3.926 -4.014 -8.244 1.00 22.63 C ATOM 457 NZ LYS A 29 4.391 -5.348 -8.677 1.00 24.98 N ATOM 0 H LYS A 29 -0.777 -2.474 -7.149 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.048 -5.030 -8.239 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.432 -3.975 -5.831 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.531 -5.631 -6.393 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.392 -4.901 -8.595 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.117 -3.217 -8.195 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.844 -3.234 -6.497 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.956 -4.982 -6.526 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.554 -3.463 -9.108 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.768 -3.450 -7.844 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.866 -5.268 -9.599 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.058 -5.728 -7.976 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.576 -5.989 -8.762 1.00 24.98 H new ATOM 471 N ILE A 30 -2.546 -4.367 -5.333 1.00 4.57 N ATOM 472 CA ILE A 30 -3.699 -4.758 -4.513 1.00 5.58 C ATOM 473 C ILE A 30 -5.013 -4.830 -5.263 1.00 7.26 C ATOM 474 O ILE A 30 -5.825 -5.756 -5.070 1.00 9.46 O ATOM 475 CB ILE A 30 -3.850 -3.748 -3.407 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.554 -3.698 -2.530 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.060 -4.073 -2.578 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.488 -2.654 -1.427 1.00 2.00 C ATOM 0 H ILE A 30 -2.160 -3.459 -5.074 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.493 -5.765 -4.152 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.992 -2.759 -3.843 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.420 -4.678 -2.073 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.705 -3.538 -3.195 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.162 -3.338 -1.780 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.949 -4.051 -3.208 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.947 -5.066 -2.144 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.535 -2.737 -0.904 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.577 -1.659 -1.862 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.304 -2.817 -0.723 1.00 2.00 H new ATOM 490 N GLN A 31 -5.289 -3.848 -6.202 1.00 7.06 N ATOM 491 CA GLN A 31 -6.429 -3.934 -7.084 1.00 8.67 C ATOM 492 C GLN A 31 -6.466 -5.188 -7.937 1.00 10.90 C ATOM 493 O GLN A 31 -7.459 -5.911 -8.085 1.00 9.63 O ATOM 494 CB GLN A 31 -6.469 -2.770 -8.118 1.00 9.12 C ATOM 495 CG GLN A 31 -7.736 -2.521 -8.953 1.00 10.76 C ATOM 496 CD GLN A 31 -7.528 -1.722 -10.239 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.092 -0.615 -10.337 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.952 -2.406 -11.360 1.00 14.76 N ATOM 0 H GLN A 31 -4.719 -3.013 -6.334 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.267 -3.912 -6.387 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.252 -1.849 -7.577 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.648 -2.930 -8.817 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.175 -3.485 -9.211 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.462 -1.996 -8.332 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -8.324 -3.352 -11.270 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.894 -1.966 -12.278 1.00 14.76 H new ATOM 507 N ASP A 32 -5.239 -5.574 -8.432 1.00 10.93 N ATOM 508 CA ASP A 32 -5.119 -6.793 -9.217 1.00 14.01 C ATOM 509 C ASP A 32 -5.399 -8.042 -8.344 1.00 14.04 C ATOM 510 O ASP A 32 -6.157 -8.931 -8.752 1.00 13.39 O ATOM 511 CB ASP A 32 -3.720 -6.750 -9.752 1.00 18.01 C ATOM 512 CG ASP A 32 -3.367 -7.777 -10.838 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.132 -7.809 -11.841 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.365 -8.561 -10.776 1.00 26.29 O ATOM 0 H ASP A 32 -4.368 -5.061 -8.293 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.846 -6.859 -10.026 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.540 -5.753 -10.154 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.032 -6.886 -8.918 1.00 18.01 H new ATOM 519 N LYS A 33 -4.827 -8.039 -7.116 1.00 14.22 N ATOM 520 CA LYS A 33 -5.109 -9.128 -6.155 1.00 14.00 C ATOM 521 C LYS A 33 -6.508 -9.221 -5.682 1.00 12.37 C ATOM 522 O LYS A 33 -7.184 -10.246 -5.884 1.00 12.17 O ATOM 523 CB LYS A 33 -4.204 -8.861 -4.913 1.00 18.62 C ATOM 524 CG LYS A 33 -2.749 -9.163 -5.247 1.00 24.00 C ATOM 525 CD LYS A 33 -2.466 -10.686 -4.995 1.00 27.61 C ATOM 526 CE LYS A 33 -1.029 -11.005 -5.090 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.779 -12.287 -4.388 1.00 30.06 N ATOM 0 H LYS A 33 -4.189 -7.320 -6.777 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.915 -10.067 -6.674 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.304 -7.822 -4.598 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.529 -9.481 -4.077 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.542 -8.910 -6.287 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.088 -8.552 -4.633 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.835 -10.965 -4.008 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.018 -11.282 -5.721 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.727 -11.081 -6.135 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.435 -10.208 -4.644 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.232 -12.524 -4.447 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.055 -12.196 -3.389 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.338 -13.042 -4.834 1.00 30.06 H new ATOM 541 N GLU A 34 -7.089 -8.175 -5.087 1.00 10.11 N ATOM 542 CA GLU A 34 -8.283 -8.229 -4.290 1.00 10.07 C ATOM 543 C GLU A 34 -9.476 -7.501 -4.909 1.00 9.32 C ATOM 544 O GLU A 34 -10.541 -7.341 -4.360 1.00 11.61 O ATOM 545 CB GLU A 34 -8.007 -7.555 -2.902 1.00 14.77 C ATOM 546 CG GLU A 34 -7.043 -8.506 -2.067 1.00 18.75 C ATOM 547 CD GLU A 34 -7.686 -9.786 -1.577 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.745 -9.690 -0.933 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.168 -10.886 -1.806 1.00 25.19 O ATOM 0 H GLU A 34 -6.709 -7.231 -5.161 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.537 -9.286 -4.207 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.548 -6.576 -3.040 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.942 -7.396 -2.365 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.182 -8.761 -2.685 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.665 -7.953 -1.207 1.00 18.75 H new ATOM 556 N GLY A 35 -9.275 -6.970 -6.117 1.00 7.22 N ATOM 557 CA GLY A 35 -10.385 -6.187 -6.783 1.00 6.29 C ATOM 558 C GLY A 35 -10.604 -4.749 -6.290 1.00 6.93 C ATOM 559 O GLY A 35 -11.526 -4.012 -6.647 1.00 7.41 O ATOM 0 H GLY A 35 -8.411 -7.046 -6.653 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.183 -6.153 -7.854 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.316 -6.738 -6.652 1.00 6.29 H new ATOM 563 N ILE A 36 -9.835 -4.302 -5.295 1.00 5.86 N ATOM 564 CA ILE A 36 -10.184 -3.063 -4.562 1.00 6.07 C ATOM 565 C ILE A 36 -9.780 -1.772 -5.196 1.00 6.36 C ATOM 566 O ILE A 36 -8.581 -1.576 -5.514 1.00 6.18 O ATOM 567 CB ILE A 36 -9.517 -3.057 -3.253 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.653 -4.357 -2.450 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.864 -1.817 -2.371 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.674 -4.423 -1.196 1.00 9.49 C ATOM 0 H ILE A 36 -8.982 -4.761 -4.976 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.273 -3.099 -4.530 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.464 -2.979 -3.525 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.682 -4.458 -2.105 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.452 -5.204 -3.105 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.333 -1.886 -1.422 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.564 -0.906 -2.889 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.938 -1.792 -2.185 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.819 -5.367 -0.670 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.641 -4.353 -1.537 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.891 -3.595 -0.521 1.00 9.49 H new ATOM 582 N PRO A 37 -10.701 -0.862 -5.385 1.00 8.65 N ATOM 583 CA PRO A 37 -10.419 0.419 -6.131 1.00 9.18 C ATOM 584 C PRO A 37 -9.277 1.241 -5.597 1.00 9.85 C ATOM 585 O PRO A 37 -9.355 1.540 -4.397 1.00 8.51 O ATOM 586 CB PRO A 37 -11.716 1.095 -6.086 1.00 11.42 C ATOM 587 CG PRO A 37 -12.788 0.009 -6.130 1.00 9.27 C ATOM 588 CD PRO A 37 -12.151 -1.107 -5.294 1.00 8.33 C ATOM 0 HA PRO A 37 -10.057 0.236 -7.143 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.809 1.691 -5.178 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.824 1.778 -6.929 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.731 0.350 -5.703 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.998 -0.315 -7.149 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.494 -1.072 -4.260 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.411 -2.091 -5.683 1.00 8.33 H new ATOM 596 N PRO A 38 -8.227 1.714 -6.355 1.00 8.71 N ATOM 597 CA PRO A 38 -7.191 2.644 -5.873 1.00 9.08 C ATOM 598 C PRO A 38 -7.790 3.882 -5.134 1.00 9.28 C ATOM 599 O PRO A 38 -7.161 4.386 -4.187 1.00 6.50 O ATOM 600 CB PRO A 38 -6.387 3.043 -7.065 1.00 10.31 C ATOM 601 CG PRO A 38 -7.307 2.791 -8.306 1.00 10.81 C ATOM 602 CD PRO A 38 -8.164 1.578 -7.831 1.00 12.00 C ATOM 0 HA PRO A 38 -6.565 2.154 -5.127 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.091 4.090 -7.004 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.471 2.457 -7.132 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.923 3.659 -8.541 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.730 2.558 -9.201 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.160 1.600 -8.273 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.707 0.632 -8.122 1.00 12.00 H new ATOM 610 N ASP A 39 -8.938 4.456 -5.509 1.00 11.20 N ATOM 611 CA ASP A 39 -9.483 5.700 -4.834 1.00 14.96 C ATOM 612 C ASP A 39 -10.037 5.456 -3.438 1.00 13.99 C ATOM 613 O ASP A 39 -10.421 6.405 -2.712 1.00 13.75 O ATOM 614 CB ASP A 39 -10.657 6.297 -5.694 1.00 24.16 C ATOM 615 CG ASP A 39 -10.196 6.883 -7.046 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.586 7.939 -7.095 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.509 6.256 -8.092 1.00 35.55 O ATOM 0 H ASP A 39 -9.523 4.104 -6.266 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.634 6.379 -4.750 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.395 5.516 -5.878 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.156 7.078 -5.120 1.00 24.16 H new ATOM 622 N GLN A 40 -10.184 4.164 -3.040 1.00 11.60 N ATOM 623 CA GLN A 40 -10.627 3.717 -1.730 1.00 10.76 C ATOM 624 C GLN A 40 -9.516 3.432 -0.832 1.00 8.01 C ATOM 625 O GLN A 40 -9.688 3.167 0.341 1.00 8.96 O ATOM 626 CB GLN A 40 -11.362 2.410 -1.875 1.00 11.14 C ATOM 627 CG GLN A 40 -12.804 2.595 -2.410 1.00 14.85 C ATOM 628 CD GLN A 40 -13.578 1.284 -2.539 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.244 0.300 -1.889 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.626 1.218 -3.345 1.00 18.16 N ATOM 0 H GLN A 40 -9.983 3.385 -3.667 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.243 4.520 -1.325 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.808 1.759 -2.551 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.399 1.908 -0.908 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.347 3.265 -1.743 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.762 3.081 -3.385 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.905 2.036 -3.887 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.154 0.349 -3.424 1.00 18.16 H new ATOM 639 N GLN A 41 -8.290 3.344 -1.340 1.00 6.52 N ATOM 640 CA GLN A 41 -7.307 2.635 -0.506 1.00 3.87 C ATOM 641 C GLN A 41 -6.370 3.549 0.261 1.00 4.79 C ATOM 642 O GLN A 41 -5.828 4.483 -0.247 1.00 6.34 O ATOM 643 CB GLN A 41 -6.470 1.884 -1.556 1.00 4.20 C ATOM 644 CG GLN A 41 -7.108 0.581 -2.020 1.00 3.20 C ATOM 645 CD GLN A 41 -6.017 -0.106 -2.876 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.914 -0.397 -2.391 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.239 -0.363 -4.222 1.00 7.13 N ATOM 0 H GLN A 41 -7.967 3.712 -2.235 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.808 2.030 0.249 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.317 2.532 -2.419 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.486 1.670 -1.140 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.398 -0.042 -1.174 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.010 0.767 -2.603 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.139 -0.132 -4.644 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.502 -0.783 -4.789 1.00 7.13 H new ATOM 656 N ARG A 42 -6.295 3.293 1.570 1.00 5.73 N ATOM 657 CA ARG A 42 -5.351 3.977 2.404 1.00 6.97 C ATOM 658 C ARG A 42 -4.189 3.083 2.734 1.00 7.15 C ATOM 659 O ARG A 42 -4.361 2.081 3.451 1.00 7.33 O ATOM 660 CB ARG A 42 -5.943 4.476 3.737 1.00 13.23 C ATOM 661 CG ARG A 42 -6.906 5.653 3.511 1.00 21.27 C ATOM 662 CD ARG A 42 -7.354 6.305 4.833 1.00 26.14 C ATOM 663 NE ARG A 42 -8.240 7.453 4.482 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.238 7.977 5.228 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.420 7.520 6.453 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.982 9.013 4.815 1.00 36.39 N ATOM 0 H ARG A 42 -6.882 2.616 2.057 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.039 4.844 1.822 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.471 3.661 4.232 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.137 4.785 4.403 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.420 6.402 2.886 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.783 5.303 2.966 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.885 5.585 5.456 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.491 6.646 5.405 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.074 7.892 3.577 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.814 6.786 6.819 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.167 7.901 7.034 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.804 9.438 3.905 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.726 9.377 5.411 1.00 36.39 H new ATOM 680 N LEU A 43 -2.957 3.313 2.200 1.00 4.65 N ATOM 681 CA LEU A 43 -1.750 2.681 2.617 1.00 3.51 C ATOM 682 C LEU A 43 -1.010 3.468 3.735 1.00 5.56 C ATOM 683 O LEU A 43 -0.862 4.694 3.673 1.00 4.19 O ATOM 684 CB LEU A 43 -0.877 2.436 1.418 1.00 3.74 C ATOM 685 CG LEU A 43 -1.438 1.445 0.390 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.546 1.473 -0.886 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.537 0.045 0.988 1.00 6.41 C ATOM 0 H LEU A 43 -2.811 3.976 1.439 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.005 1.723 3.069 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.697 3.388 0.919 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.090 2.069 1.762 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.449 1.739 0.109 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.940 0.771 -1.621 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.546 2.478 -1.308 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.473 1.190 -0.624 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.937 -0.642 0.242 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.546 -0.290 1.296 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.198 0.065 1.854 1.00 6.41 H new ATOM 699 N ILE A 44 -0.768 2.716 4.841 1.00 4.58 N ATOM 700 CA ILE A 44 -0.225 3.197 6.132 1.00 5.55 C ATOM 701 C ILE A 44 1.087 2.446 6.403 1.00 5.46 C ATOM 702 O ILE A 44 1.155 1.225 6.275 1.00 6.04 O ATOM 703 CB ILE A 44 -1.191 2.928 7.281 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.609 3.416 6.930 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.671 3.549 8.560 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.895 4.934 6.699 1.00 13.90 C ATOM 0 H ILE A 44 -0.956 1.714 4.854 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.066 4.274 6.069 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.258 1.852 7.444 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.914 2.891 6.025 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.270 3.083 7.730 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.370 3.349 9.372 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.301 3.120 8.804 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.568 4.626 8.426 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.950 5.074 6.463 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.648 5.492 7.602 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.287 5.297 5.870 1.00 13.90 H new ATOM 718 N PHE A 45 2.126 3.138 6.782 1.00 6.75 N ATOM 719 CA PHE A 45 3.422 2.542 7.157 1.00 4.70 C ATOM 720 C PHE A 45 4.015 3.334 8.299 1.00 6.34 C ATOM 721 O PHE A 45 4.091 4.569 8.213 1.00 5.45 O ATOM 722 CB PHE A 45 4.401 2.468 5.946 1.00 5.51 C ATOM 723 CG PHE A 45 5.645 1.747 6.255 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.660 2.367 7.001 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.793 0.364 6.013 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.850 1.710 7.277 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.988 -0.300 6.293 1.00 6.68 C ATOM 728 CZ PHE A 45 8.027 0.351 6.904 1.00 6.84 C ATOM 0 H PHE A 45 2.117 4.156 6.847 1.00 6.75 H new ATOM 0 HA PHE A 45 3.257 1.514 7.478 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.901 1.977 5.111 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.645 3.479 5.621 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.512 3.373 7.366 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.963 -0.192 5.602 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.648 2.236 7.779 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.095 -1.341 6.025 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.960 -0.158 7.098 1.00 6.84 H new ATOM 738 N ALA A 46 4.328 2.634 9.421 1.00 6.53 N ATOM 739 CA ALA A 46 4.830 3.096 10.712 1.00 7.15 C ATOM 740 C ALA A 46 4.045 4.321 11.286 1.00 9.00 C ATOM 741 O ALA A 46 4.597 5.351 11.685 1.00 11.15 O ATOM 742 CB ALA A 46 6.359 3.424 10.650 1.00 8.99 C ATOM 0 H ALA A 46 4.217 1.620 9.427 1.00 6.53 H new ATOM 0 HA ALA A 46 4.668 2.264 11.397 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.698 3.765 11.628 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.912 2.529 10.366 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.533 4.207 9.912 1.00 8.99 H new ATOM 748 N GLY A 47 2.687 4.291 11.375 1.00 9.35 N ATOM 749 CA GLY A 47 1.875 5.409 11.849 1.00 11.68 C ATOM 750 C GLY A 47 1.493 6.545 10.905 1.00 11.14 C ATOM 751 O GLY A 47 0.926 7.545 11.317 1.00 13.93 O ATOM 0 H GLY A 47 2.135 3.474 11.113 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.948 4.990 12.239 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.403 5.855 12.692 1.00 11.68 H new ATOM 755 N LYS A 48 1.843 6.432 9.579 1.00 10.47 N ATOM 756 CA LYS A 48 1.701 7.575 8.639 1.00 8.82 C ATOM 757 C LYS A 48 0.931 7.162 7.422 1.00 7.68 C ATOM 758 O LYS A 48 1.102 6.137 6.821 1.00 6.47 O ATOM 759 CB LYS A 48 3.164 8.033 8.259 1.00 9.74 C ATOM 760 CG LYS A 48 4.140 8.326 9.430 1.00 14.14 C ATOM 761 CD LYS A 48 5.538 8.575 9.114 1.00 16.32 C ATOM 762 CE LYS A 48 6.301 7.306 8.642 1.00 20.04 C ATOM 763 NZ LYS A 48 7.697 7.695 8.207 1.00 23.92 N ATOM 0 H LYS A 48 2.214 5.581 9.157 1.00 10.47 H new ATOM 0 HA LYS A 48 1.149 8.396 9.097 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.609 7.259 7.633 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.089 8.933 7.648 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.761 9.194 9.970 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.099 7.481 10.117 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.597 9.335 8.335 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.035 8.982 9.995 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.350 6.575 9.449 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.769 6.834 7.816 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.211 6.848 7.890 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.639 8.378 7.424 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.202 8.127 9.007 1.00 23.92 H new ATOM 777 N GLN A 49 -0.012 8.080 6.960 1.00 8.89 N ATOM 778 CA GLN A 49 -0.699 7.845 5.687 1.00 7.18 C ATOM 779 C GLN A 49 0.214 8.289 4.528 1.00 8.23 C ATOM 780 O GLN A 49 0.852 9.372 4.576 1.00 9.70 O ATOM 781 CB GLN A 49 -2.029 8.663 5.627 1.00 11.67 C ATOM 782 CG GLN A 49 -2.827 8.455 4.260 1.00 15.82 C ATOM 783 CD GLN A 49 -4.314 8.851 4.300 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.960 9.129 5.322 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.874 9.061 3.102 1.00 20.67 N ATOM 0 H GLN A 49 -0.279 8.936 7.447 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.929 6.783 5.602 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.667 8.371 6.462 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.804 9.722 5.753 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.335 9.034 3.479 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.755 7.406 3.972 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.357 8.838 2.251 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.817 9.444 3.040 1.00 20.67 H new ATOM 794 N LEU A 50 0.431 7.355 3.565 1.00 6.51 N ATOM 795 CA LEU A 50 1.431 7.453 2.506 1.00 7.41 C ATOM 796 C LEU A 50 0.858 8.091 1.259 1.00 8.27 C ATOM 797 O LEU A 50 -0.194 7.702 0.725 1.00 8.34 O ATOM 798 CB LEU A 50 2.060 6.032 2.174 1.00 7.13 C ATOM 799 CG LEU A 50 2.497 5.171 3.343 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.157 3.877 2.761 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.323 5.920 4.356 1.00 9.11 C ATOM 0 H LEU A 50 -0.110 6.492 3.516 1.00 6.51 H new ATOM 0 HA LEU A 50 2.229 8.098 2.873 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.329 5.467 1.595 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.925 6.189 1.530 1.00 7.13 H new ATOM 0 HG LEU A 50 1.635 4.870 3.938 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.483 3.235 3.579 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.431 3.343 2.148 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.017 4.151 2.150 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.603 5.247 5.166 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.223 6.306 3.878 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.741 6.750 4.758 1.00 9.11 H new ATOM 813 N GLU A 51 1.658 9.053 0.718 1.00 9.43 N ATOM 814 CA GLU A 51 1.363 9.724 -0.485 1.00 11.90 C ATOM 815 C GLU A 51 1.744 9.054 -1.789 1.00 11.49 C ATOM 816 O GLU A 51 2.722 8.359 -1.917 1.00 9.88 O ATOM 817 CB GLU A 51 2.193 11.086 -0.555 1.00 16.56 C ATOM 818 CG GLU A 51 2.090 11.874 0.792 1.00 26.06 C ATOM 819 CD GLU A 51 2.799 13.230 0.712 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.403 14.120 -0.089 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.782 13.350 1.488 1.00 32.13 O ATOM 0 H GLU A 51 2.531 9.356 1.149 1.00 9.43 H new ATOM 0 HA GLU A 51 0.277 9.797 -0.429 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.238 10.868 -0.774 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.818 11.703 -1.371 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.041 12.027 1.045 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.528 11.281 1.595 1.00 26.06 H new ATOM 828 N ASP A 52 0.832 9.201 -2.771 1.00 12.71 N ATOM 829 CA ASP A 52 0.775 8.502 -4.042 1.00 16.56 C ATOM 830 C ASP A 52 2.058 8.529 -4.914 1.00 15.83 C ATOM 831 O ASP A 52 2.458 7.524 -5.483 1.00 17.21 O ATOM 832 CB ASP A 52 -0.425 9.146 -4.826 1.00 21.05 C ATOM 833 CG ASP A 52 -1.790 9.160 -4.126 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.944 9.466 -2.909 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.728 8.771 -4.850 1.00 25.82 O ATOM 0 H ASP A 52 0.064 9.865 -2.675 1.00 12.71 H new ATOM 0 HA ASP A 52 0.655 7.440 -3.825 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.158 10.175 -5.067 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.535 8.615 -5.772 1.00 21.05 H new ATOM 840 N GLY A 53 2.674 9.722 -5.111 1.00 15.00 N ATOM 841 CA GLY A 53 3.767 9.871 -6.043 1.00 11.77 C ATOM 842 C GLY A 53 5.077 9.704 -5.319 1.00 11.10 C ATOM 843 O GLY A 53 6.117 9.930 -5.953 1.00 11.25 O ATOM 0 H GLY A 53 2.416 10.581 -4.626 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.683 9.131 -6.838 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.724 10.852 -6.515 1.00 11.77 H new ATOM 847 N ARG A 54 5.035 9.259 -4.071 1.00 8.53 N ATOM 848 CA ARG A 54 6.219 8.863 -3.322 1.00 9.05 C ATOM 849 C ARG A 54 6.525 7.428 -3.534 1.00 8.96 C ATOM 850 O ARG A 54 5.679 6.723 -4.071 1.00 11.60 O ATOM 851 CB ARG A 54 6.147 9.164 -1.840 1.00 7.97 C ATOM 852 CG ARG A 54 6.022 10.690 -1.603 1.00 9.62 C ATOM 853 CD ARG A 54 7.276 11.458 -1.982 1.00 12.20 C ATOM 854 NE ARG A 54 7.081 12.829 -1.509 1.00 18.23 N ATOM 855 CZ ARG A 54 8.128 13.672 -1.371 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.367 13.250 -1.680 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.917 14.807 -0.720 1.00 23.38 N ATOM 0 H ARG A 54 4.167 9.162 -3.544 1.00 8.53 H new ATOM 0 HA ARG A 54 7.027 9.477 -3.719 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.293 8.650 -1.399 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.039 8.784 -1.342 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.180 11.073 -2.180 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.796 10.871 -0.552 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.158 11.011 -1.524 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.432 11.438 -3.061 1.00 12.20 H new ATOM 0 HE ARG A 54 6.141 13.153 -1.280 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.512 12.298 -2.017 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.161 13.882 -1.578 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.991 15.016 -0.346 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.680 15.472 -0.593 1.00 23.38 H new ATOM 871 N THR A 55 7.718 6.978 -3.147 1.00 9.05 N ATOM 872 CA THR A 55 8.380 5.666 -3.512 1.00 9.03 C ATOM 873 C THR A 55 8.533 4.872 -2.219 1.00 8.15 C ATOM 874 O THR A 55 8.312 5.414 -1.127 1.00 5.91 O ATOM 875 CB THR A 55 9.631 5.811 -4.386 1.00 11.15 C ATOM 876 OG1 THR A 55 10.703 6.496 -3.720 1.00 11.95 O ATOM 877 CG2 THR A 55 9.345 6.623 -5.648 1.00 11.71 C ATOM 0 H THR A 55 8.309 7.534 -2.530 1.00 9.05 H new ATOM 0 HA THR A 55 7.752 5.089 -4.191 1.00 9.03 H new ATOM 0 HB THR A 55 9.919 4.786 -4.619 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.367 7.330 -3.331 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.255 6.704 -6.242 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.572 6.125 -6.234 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.003 7.620 -5.370 1.00 11.71 H new ATOM 885 N LEU A 56 8.854 3.515 -2.386 1.00 6.91 N ATOM 886 CA LEU A 56 9.066 2.577 -1.282 1.00 8.29 C ATOM 887 C LEU A 56 10.305 2.809 -0.488 1.00 8.05 C ATOM 888 O LEU A 56 10.346 2.731 0.743 1.00 10.17 O ATOM 889 CB LEU A 56 8.853 1.132 -1.730 1.00 6.60 C ATOM 890 CG LEU A 56 7.823 0.851 -2.896 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.528 -0.603 -3.053 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.405 1.487 -2.637 1.00 8.64 C ATOM 0 H LEU A 56 8.963 3.085 -3.304 1.00 6.91 H new ATOM 0 HA LEU A 56 8.287 2.790 -0.550 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.820 0.734 -2.038 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.534 0.558 -0.860 1.00 6.60 H new ATOM 0 HG LEU A 56 8.312 1.282 -3.769 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.816 -0.744 -3.866 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.450 -1.139 -3.281 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.103 -0.990 -2.127 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.745 1.258 -3.474 1.00 8.64 H new ATOM 0 HD22 LEU A 56 5.984 1.076 -1.720 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.504 2.568 -2.538 1.00 8.64 H new ATOM 904 N SER A 57 11.351 3.307 -1.169 1.00 8.92 N ATOM 905 CA SER A 57 12.529 3.726 -0.433 1.00 9.00 C ATOM 906 C SER A 57 12.360 5.003 0.304 1.00 9.44 C ATOM 907 O SER A 57 13.097 5.225 1.266 1.00 10.91 O ATOM 908 CB SER A 57 13.730 3.774 -1.498 1.00 10.32 C ATOM 909 OG SER A 57 13.380 4.447 -2.685 1.00 13.59 O ATOM 0 H SER A 57 11.397 3.422 -2.182 1.00 8.92 H new ATOM 0 HA SER A 57 12.740 3.014 0.365 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.591 4.267 -1.046 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.036 2.756 -1.740 1.00 10.32 H new ATOM 0 HG SER A 57 14.145 4.449 -3.297 1.00 13.59 H new ATOM 915 N ASP A 58 11.352 5.906 0.041 1.00 9.11 N ATOM 916 CA ASP A 58 11.069 7.166 0.726 1.00 7.91 C ATOM 917 C ASP A 58 10.582 6.872 2.121 1.00 9.12 C ATOM 918 O ASP A 58 10.616 7.697 3.079 1.00 8.61 O ATOM 919 CB ASP A 58 10.043 8.026 0.000 1.00 8.41 C ATOM 920 CG ASP A 58 10.547 8.585 -1.340 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.702 9.031 -1.416 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.780 8.644 -2.255 1.00 11.70 O ATOM 0 H ASP A 58 10.685 5.735 -0.712 1.00 9.11 H new ATOM 0 HA ASP A 58 11.998 7.735 0.748 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.145 7.434 -0.177 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.755 8.856 0.645 1.00 8.41 H new ATOM 927 N TYR A 59 10.078 5.676 2.357 1.00 7.97 N ATOM 928 CA TYR A 59 9.369 5.370 3.568 1.00 8.45 C ATOM 929 C TYR A 59 10.066 4.367 4.316 1.00 10.98 C ATOM 930 O TYR A 59 9.722 3.937 5.407 1.00 12.95 O ATOM 931 CB TYR A 59 7.918 4.998 3.283 1.00 7.94 C ATOM 932 CG TYR A 59 7.142 6.195 2.905 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.846 7.268 3.726 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.540 6.159 1.684 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.046 8.373 3.286 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.733 7.223 1.210 1.00 6.52 C ATOM 937 CZ TYR A 59 5.418 8.345 2.097 1.00 6.76 C ATOM 938 OH TYR A 59 4.546 9.412 1.721 1.00 7.63 O ATOM 0 H TYR A 59 10.153 4.893 1.708 1.00 7.97 H new ATOM 0 HA TYR A 59 9.334 6.265 4.189 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.876 4.262 2.480 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.476 4.534 4.164 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.231 7.273 4.735 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.682 5.291 1.057 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.946 9.242 3.919 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.352 7.207 0.200 1.00 6.52 H new ATOM 0 HH TYR A 59 4.555 9.513 0.746 1.00 7.63 H new ATOM 948 N ASN A 60 11.272 4.011 3.783 1.00 12.38 N ATOM 949 CA ASN A 60 12.109 2.978 4.322 1.00 13.94 C ATOM 950 C ASN A 60 11.440 1.587 4.360 1.00 14.16 C ATOM 951 O ASN A 60 11.785 0.738 5.201 1.00 14.26 O ATOM 952 CB ASN A 60 12.737 3.271 5.730 1.00 19.23 C ATOM 953 CG ASN A 60 13.434 4.615 5.736 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.993 5.538 6.417 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.511 4.730 4.877 1.00 24.09 N ATOM 0 H ASN A 60 11.665 4.460 2.956 1.00 12.38 H new ATOM 0 HA ASN A 60 12.925 2.970 3.599 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.957 3.257 6.492 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.448 2.486 5.987 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.992 5.624 4.779 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.824 3.921 4.341 1.00 24.09 H new ATOM 962 N ILE A 61 10.576 1.255 3.366 1.00 11.08 N ATOM 963 CA ILE A 61 10.058 -0.122 3.139 1.00 11.78 C ATOM 964 C ILE A 61 11.223 -1.038 2.703 1.00 13.74 C ATOM 965 O ILE A 61 12.015 -0.659 1.878 1.00 14.60 O ATOM 966 CB ILE A 61 8.896 -0.233 2.179 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.631 0.488 2.856 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.549 -1.643 1.706 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.676 1.107 1.853 1.00 11.42 C ATOM 0 H ILE A 61 10.217 1.936 2.697 1.00 11.08 H new ATOM 0 HA ILE A 61 9.642 -0.445 4.093 1.00 11.78 H new ATOM 0 HB ILE A 61 9.200 0.262 1.257 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.089 -0.240 3.460 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.986 1.264 3.534 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.701 -1.599 1.022 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.407 -2.076 1.192 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.291 -2.262 2.565 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.846 1.576 2.382 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.203 1.859 1.265 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.292 0.332 1.190 1.00 11.42 H new ATOM 981 N GLN A 62 11.264 -2.323 3.214 1.00 13.97 N ATOM 982 CA GLN A 62 12.338 -3.296 2.985 1.00 15.52 C ATOM 983 C GLN A 62 11.715 -4.669 2.860 1.00 13.94 C ATOM 984 O GLN A 62 10.531 -4.900 2.983 1.00 12.15 O ATOM 985 CB GLN A 62 13.363 -3.359 4.202 1.00 19.53 C ATOM 986 CG GLN A 62 14.171 -2.085 4.495 1.00 26.38 C ATOM 987 CD GLN A 62 15.145 -1.697 3.322 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.320 -2.370 2.281 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.878 -0.579 3.478 1.00 32.71 N ATOM 0 H GLN A 62 10.521 -2.692 3.807 1.00 13.97 H new ATOM 0 HA GLN A 62 12.874 -2.991 2.086 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.806 -3.622 5.101 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.066 -4.171 4.013 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.484 -1.259 4.679 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.749 -2.229 5.408 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.762 -0.006 4.314 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.549 -0.305 2.761 1.00 32.71 H new ATOM 998 N LYS A 63 12.540 -5.664 2.436 1.00 11.73 N ATOM 999 CA LYS A 63 12.102 -6.997 2.143 1.00 11.97 C ATOM 1000 C LYS A 63 11.345 -7.760 3.272 1.00 10.41 C ATOM 1001 O LYS A 63 11.898 -7.933 4.386 1.00 9.59 O ATOM 1002 CB LYS A 63 13.418 -7.848 1.756 1.00 13.73 C ATOM 1003 CG LYS A 63 13.049 -9.307 1.283 1.00 16.98 C ATOM 1004 CD LYS A 63 14.304 -9.993 0.705 1.00 20.19 C ATOM 1005 CE LYS A 63 15.155 -10.747 1.749 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.353 -11.939 2.154 1.00 25.97 N ATOM 0 H LYS A 63 13.541 -5.528 2.295 1.00 11.73 H new ATOM 0 HA LYS A 63 11.366 -6.897 1.345 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.963 -7.335 0.964 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.083 -7.902 2.618 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.659 -9.885 2.121 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.263 -9.268 0.529 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.995 -10.695 -0.070 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.926 -9.239 0.223 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.114 -11.048 1.327 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.370 -10.112 2.608 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.993 -12.719 2.405 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 13.763 -11.698 2.976 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.743 -12.232 1.364 1.00 25.97 H new ATOM 1020 N GLU A 64 10.102 -8.190 3.041 1.00 10.04 N ATOM 1021 CA GLU A 64 9.334 -8.978 4.063 1.00 10.94 C ATOM 1022 C GLU A 64 8.769 -8.116 5.189 1.00 9.74 C ATOM 1023 O GLU A 64 8.187 -8.647 6.135 1.00 9.42 O ATOM 1024 CB GLU A 64 10.035 -10.240 4.668 1.00 18.31 C ATOM 1025 CG GLU A 64 10.337 -11.275 3.514 1.00 24.16 C ATOM 1026 CD GLU A 64 11.327 -12.349 3.970 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.536 -12.039 4.162 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.874 -13.499 4.242 1.00 31.72 O ATOM 0 H GLU A 64 9.594 -8.019 2.173 1.00 10.04 H new ATOM 0 HA GLU A 64 8.521 -9.369 3.451 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.961 -9.952 5.165 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.396 -10.697 5.424 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.408 -11.747 3.195 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.741 -10.749 2.649 1.00 24.16 H new ATOM 1035 N SER A 65 8.911 -6.798 4.916 1.00 6.85 N ATOM 1036 CA SER A 65 8.296 -5.764 5.725 1.00 6.90 C ATOM 1037 C SER A 65 6.786 -5.589 5.537 1.00 4.72 C ATOM 1038 O SER A 65 6.205 -5.857 4.480 1.00 3.91 O ATOM 1039 CB SER A 65 8.909 -4.336 5.557 1.00 7.28 C ATOM 1040 OG SER A 65 8.586 -3.462 6.653 1.00 10.56 O ATOM 0 H SER A 65 9.455 -6.441 4.130 1.00 6.85 H new ATOM 0 HA SER A 65 8.509 -6.160 6.718 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.992 -4.418 5.470 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.547 -3.896 4.628 1.00 7.28 H new ATOM 0 HG SER A 65 8.993 -2.583 6.502 1.00 10.56 H new ATOM 1046 N THR A 66 6.161 -5.128 6.652 1.00 4.48 N ATOM 1047 CA THR A 66 4.808 -5.047 6.834 1.00 3.80 C ATOM 1048 C THR A 66 4.257 -3.635 6.585 1.00 4.60 C ATOM 1049 O THR A 66 4.627 -2.716 7.253 1.00 5.33 O ATOM 1050 CB THR A 66 4.321 -5.457 8.227 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.870 -6.718 8.633 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.815 -5.746 8.178 1.00 3.40 C ATOM 0 H THR A 66 6.683 -4.797 7.463 1.00 4.48 H new ATOM 0 HA THR A 66 4.433 -5.757 6.097 1.00 3.80 H new ATOM 0 HB THR A 66 4.606 -4.645 8.895 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.539 -6.946 9.527 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.468 -6.038 9.169 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.283 -4.851 7.856 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.623 -6.555 7.473 1.00 3.40 H new ATOM 1060 N LEU A 67 3.395 -3.522 5.578 1.00 4.17 N ATOM 1061 CA LEU A 67 2.574 -2.382 5.253 1.00 3.85 C ATOM 1062 C LEU A 67 1.146 -2.624 5.840 1.00 3.80 C ATOM 1063 O LEU A 67 0.684 -3.760 5.974 1.00 5.54 O ATOM 1064 CB LEU A 67 2.456 -2.207 3.690 1.00 7.18 C ATOM 1065 CG LEU A 67 3.651 -1.540 2.995 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.897 -2.446 3.076 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.170 -1.161 1.633 1.00 11.66 C ATOM 0 H LEU A 67 3.249 -4.290 4.923 1.00 4.17 H new ATOM 0 HA LEU A 67 3.026 -1.483 5.673 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.305 -3.190 3.245 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.563 -1.620 3.477 1.00 7.18 H new ATOM 0 HG LEU A 67 3.999 -0.627 3.478 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.735 -1.958 2.578 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.150 -2.624 4.121 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.688 -3.397 2.586 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.978 -0.678 1.083 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.850 -2.055 1.098 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.330 -0.472 1.722 1.00 11.66 H new ATOM 1079 N HIS A 68 0.414 -1.581 6.102 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.966 -1.658 6.539 1.00 4.17 C ATOM 1081 C HIS A 68 -1.889 -0.980 5.539 1.00 5.32 C ATOM 1082 O HIS A 68 -1.550 0.035 4.940 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.161 -1.020 7.943 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.830 -1.868 9.055 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.027 -1.458 10.358 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.311 -3.144 9.080 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.628 -2.525 11.128 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.147 -3.544 10.383 1.00 16.30 N ATOM 0 H HIS A 68 0.761 -0.625 6.018 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.221 -2.716 6.604 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.552 -0.118 8.002 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.201 -0.709 8.041 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.071 -3.737 8.210 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.692 -2.546 12.206 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.252 -4.421 10.717 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.046 -1.662 5.260 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.086 -1.223 4.375 1.00 3.97 C ATOM 1098 C LEU A 69 -5.285 -0.820 5.131 1.00 5.07 C ATOM 1099 O LEU A 69 -5.707 -1.577 6.007 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.441 -2.349 3.320 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.621 -1.979 2.340 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.161 -0.852 1.461 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.980 -3.174 1.448 1.00 9.96 C ATOM 0 H LEU A 69 -3.252 -2.567 5.683 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.720 -0.352 3.832 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.551 -2.570 2.730 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.703 -3.261 3.856 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.498 -1.698 2.924 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.961 -0.577 0.773 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.902 0.008 2.078 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.286 -1.168 0.893 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.796 -2.897 0.780 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.110 -3.462 0.858 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.290 -4.013 2.071 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.973 0.373 4.927 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.263 0.683 5.447 1.00 6.26 C ATOM 1117 C VAL A 70 -8.056 1.010 4.218 1.00 9.22 C ATOM 1118 O VAL A 70 -7.493 1.498 3.249 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.193 1.933 6.445 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.567 2.087 7.090 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.126 1.733 7.553 1.00 8.54 C ATOM 0 H VAL A 70 -5.583 1.133 4.370 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.699 -0.128 6.030 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.911 2.822 5.880 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.553 2.932 7.778 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.315 2.261 6.316 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.816 1.178 7.637 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.113 2.605 8.207 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.369 0.845 8.137 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.145 1.608 7.095 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.363 0.706 4.180 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.241 1.065 3.090 1.00 16.06 C ATOM 1133 C LEU A 71 -11.299 2.010 3.685 1.00 18.09 C ATOM 1134 O LEU A 71 -11.634 2.041 4.854 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.958 -0.174 2.487 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.980 -1.247 1.987 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.800 -2.403 1.402 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.946 -0.626 0.955 1.00 19.57 C ATOM 0 H LEU A 71 -9.833 0.194 4.927 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.664 1.525 2.288 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.614 -0.610 3.241 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.592 0.146 1.660 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.376 -1.637 2.806 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.127 -3.180 1.039 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.448 -2.817 2.174 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.409 -2.036 0.576 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.262 -1.403 0.613 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.486 -0.216 0.101 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.379 0.168 1.441 1.00 19.57 H new