USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -64:sc= 0.658 USER MOD Set 1.2: A 57 SER OG : rot -10:sc= 0.21 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.0517 K(o=-0.098,f=-1.2) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -170:sc= -0.0468 (180deg=-0.133) USER MOD Set 3.1: A 7 THR OG1 : rot -175:sc= 0.297 USER MOD Set 3.2: A 9 THR OG1 : rot 1:sc= 0.141 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -151:sc= 1.11 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.951 USER MOD Single : A 1 MET CE :methyl -114:sc= -0.0412 (180deg=-0.317) USER MOD Single : A 1 MET N :NH3+ -155:sc= 2.18 (180deg=1.63) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.0019) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= 1.08 (180deg=0.892) USER MOD Single : A 14 THR OG1 : rot -91:sc= 0.0236 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 1.57 (180deg=1.09) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.0678 X(o=0.068,f=-0.16) USER MOD Single : A 41 GLN : amide:sc= 0.355 K(o=0.35,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.552 USER MOD Single : A 60 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 1.1 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0676 K(o=-0.068,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.178 -7.063 -5.024 1.00 9.67 N ATOM 2 CA MET A 1 11.206 -7.373 -3.574 1.00 10.38 C ATOM 3 C MET A 1 9.866 -7.726 -3.046 1.00 9.62 C ATOM 4 O MET A 1 8.843 -7.564 -3.730 1.00 9.62 O ATOM 5 CB MET A 1 11.777 -6.211 -2.635 1.00 13.77 C ATOM 6 CG MET A 1 10.827 -5.116 -2.185 1.00 16.29 C ATOM 7 SD MET A 1 11.655 -3.828 -1.218 1.00 17.17 S ATOM 8 CE MET A 1 10.419 -2.564 -1.424 1.00 16.11 C ATOM 0 H1 MET A 1 12.118 -7.237 -5.434 1.00 9.67 H new ATOM 0 H2 MET A 1 10.477 -7.669 -5.495 1.00 9.67 H new ATOM 0 H3 MET A 1 10.920 -6.065 -5.161 1.00 9.67 H new ATOM 0 HA MET A 1 11.892 -8.219 -3.532 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.191 -6.679 -1.742 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.606 -5.737 -3.160 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.359 -4.664 -3.060 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.028 -5.556 -1.588 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.832 -1.743 -2.010 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.555 -2.981 -1.942 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.111 -2.193 -0.446 1.00 16.11 H new ATOM 20 N GLN A 2 9.835 -8.313 -1.830 1.00 9.27 N ATOM 21 CA GLN A 2 8.590 -8.805 -1.291 1.00 9.07 C ATOM 22 C GLN A 2 8.145 -7.977 -0.085 1.00 8.72 C ATOM 23 O GLN A 2 8.931 -7.742 0.856 1.00 8.22 O ATOM 24 CB GLN A 2 8.585 -10.344 -0.979 1.00 14.46 C ATOM 25 CG GLN A 2 7.268 -10.901 -0.527 1.00 17.01 C ATOM 26 CD GLN A 2 7.314 -12.373 -0.261 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.665 -12.810 0.835 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.858 -13.185 -1.268 1.00 19.49 N ATOM 0 H GLN A 2 10.649 -8.447 -1.230 1.00 9.27 H new ATOM 0 HA GLN A 2 7.854 -8.679 -2.085 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.900 -10.881 -1.874 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.329 -10.544 -0.208 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.953 -10.384 0.379 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.514 -10.699 -1.288 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.577 -12.781 -2.161 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.800 -14.193 -1.123 1.00 19.49 H new ATOM 37 N ILE A 3 6.853 -7.597 -0.075 1.00 5.87 N ATOM 38 CA ILE A 3 6.209 -6.859 1.015 1.00 5.07 C ATOM 39 C ILE A 3 4.833 -7.351 1.202 1.00 4.01 C ATOM 40 O ILE A 3 4.192 -7.942 0.302 1.00 4.61 O ATOM 41 CB ILE A 3 6.150 -5.277 0.800 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.211 -4.688 -0.365 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.623 -4.787 0.784 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.224 -3.146 -0.179 1.00 10.83 C ATOM 0 H ILE A 3 6.218 -7.802 -0.846 1.00 5.87 H new ATOM 0 HA ILE A 3 6.830 -7.037 1.893 1.00 5.07 H new ATOM 0 HB ILE A 3 5.592 -4.849 1.633 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.588 -4.966 -1.349 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.198 -5.083 -0.288 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.646 -3.707 0.639 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.100 -5.036 1.732 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.159 -5.273 -0.031 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.601 -2.682 -0.944 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.834 -2.895 0.808 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.246 -2.777 -0.270 1.00 10.83 H new ATOM 56 N PHE A 4 4.335 -7.098 2.402 1.00 4.55 N ATOM 57 CA PHE A 4 3.111 -7.529 3.005 1.00 4.68 C ATOM 58 C PHE A 4 2.099 -6.343 3.228 1.00 5.30 C ATOM 59 O PHE A 4 2.501 -5.307 3.681 1.00 5.58 O ATOM 60 CB PHE A 4 3.380 -8.465 4.224 1.00 4.83 C ATOM 61 CG PHE A 4 4.481 -9.445 3.942 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.218 -10.579 3.171 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.768 -9.299 4.566 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.181 -11.497 2.891 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.700 -10.373 4.396 1.00 10.61 C ATOM 66 CZ PHE A 4 6.462 -11.385 3.514 1.00 8.90 C ATOM 0 H PHE A 4 4.859 -6.508 3.048 1.00 4.55 H new ATOM 0 HA PHE A 4 2.572 -8.165 2.303 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.643 -7.863 5.094 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.468 -9.006 4.475 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.221 -10.731 2.786 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.021 -8.418 5.138 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.979 -12.305 2.203 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.610 -10.381 4.978 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.239 -12.100 3.287 1.00 8.90 H new ATOM 76 N VAL A 5 0.816 -6.591 2.963 1.00 4.44 N ATOM 77 CA VAL A 5 -0.246 -5.605 3.210 1.00 3.87 C ATOM 78 C VAL A 5 -1.240 -6.329 4.012 1.00 4.93 C ATOM 79 O VAL A 5 -1.963 -7.217 3.518 1.00 6.84 O ATOM 80 CB VAL A 5 -0.871 -4.889 2.049 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.723 -3.649 2.491 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.274 -4.377 1.116 1.00 9.13 C ATOM 0 H VAL A 5 0.481 -7.473 2.574 1.00 4.44 H new ATOM 0 HA VAL A 5 0.216 -4.750 3.703 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.535 -5.592 1.546 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.151 -3.169 1.611 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.525 -3.976 3.153 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.086 -2.939 3.017 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.158 -3.853 0.264 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.919 -3.697 1.672 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.860 -5.224 0.761 1.00 9.13 H new ATOM 92 N LYS A 6 -1.381 -5.927 5.269 1.00 6.04 N ATOM 93 CA LYS A 6 -2.444 -6.423 6.119 1.00 6.12 C ATOM 94 C LYS A 6 -3.771 -5.759 5.856 1.00 6.57 C ATOM 95 O LYS A 6 -3.813 -4.574 5.533 1.00 5.76 O ATOM 96 CB LYS A 6 -2.084 -6.298 7.600 1.00 7.45 C ATOM 97 CG LYS A 6 -0.745 -6.733 8.093 1.00 11.12 C ATOM 98 CD LYS A 6 -0.439 -8.224 7.884 1.00 14.54 C ATOM 99 CE LYS A 6 -1.202 -9.115 8.891 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.831 -10.493 8.698 1.00 20.55 N ATOM 0 H LYS A 6 -0.764 -5.252 5.721 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.552 -7.478 5.866 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.202 -5.249 7.872 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.831 -6.859 8.161 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.022 -6.144 7.589 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.673 -6.507 9.157 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.709 -8.511 6.868 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.633 -8.393 7.989 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.973 -8.806 9.911 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.277 -8.995 8.756 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.624 -11.108 8.972 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.599 -10.653 7.697 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.002 -10.715 9.285 1.00 20.55 H new ATOM 114 N THR A 7 -4.831 -6.590 5.998 1.00 7.41 N ATOM 115 CA THR A 7 -6.142 -6.125 5.752 1.00 7.48 C ATOM 116 C THR A 7 -6.712 -5.659 7.060 1.00 8.75 C ATOM 117 O THR A 7 -6.046 -5.773 8.100 1.00 8.58 O ATOM 118 CB THR A 7 -7.103 -7.089 5.034 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.477 -8.164 5.869 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.490 -7.699 3.823 1.00 9.17 C ATOM 0 H THR A 7 -4.766 -7.568 6.280 1.00 7.41 H new ATOM 0 HA THR A 7 -6.047 -5.317 5.027 1.00 7.48 H new ATOM 0 HB THR A 7 -7.965 -6.480 4.761 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.024 -8.798 5.360 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.207 -8.371 3.352 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.213 -6.913 3.120 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.600 -8.260 4.109 1.00 9.17 H new ATOM 128 N LEU A 8 -7.987 -5.219 7.073 1.00 9.84 N ATOM 129 CA LEU A 8 -8.709 -4.974 8.313 1.00 14.15 C ATOM 130 C LEU A 8 -8.998 -6.186 9.103 1.00 17.37 C ATOM 131 O LEU A 8 -8.916 -6.161 10.297 1.00 17.01 O ATOM 132 CB LEU A 8 -10.053 -4.288 8.122 1.00 16.63 C ATOM 133 CG LEU A 8 -9.917 -2.854 7.546 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.318 -2.308 7.304 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.988 -1.989 8.367 1.00 18.59 C ATOM 0 H LEU A 8 -8.529 -5.029 6.230 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.009 -4.328 8.843 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.670 -4.887 7.452 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.573 -4.243 9.079 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.414 -2.862 6.579 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.250 -1.299 6.898 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.841 -2.950 6.595 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.867 -2.284 8.245 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.927 -0.996 7.922 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.371 -1.908 9.384 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.995 -2.439 8.387 1.00 18.59 H new ATOM 147 N THR A 9 -9.335 -7.347 8.512 1.00 18.33 N ATOM 148 CA THR A 9 -9.526 -8.613 9.235 1.00 19.24 C ATOM 149 C THR A 9 -8.219 -9.228 9.718 1.00 19.48 C ATOM 150 O THR A 9 -8.220 -10.186 10.523 1.00 23.14 O ATOM 151 CB THR A 9 -10.258 -9.674 8.427 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.586 -9.773 7.146 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.779 -9.226 8.158 1.00 19.70 C ATOM 0 H THR A 9 -9.484 -7.431 7.506 1.00 18.33 H new ATOM 0 HA THR A 9 -10.139 -8.323 10.088 1.00 19.24 H new ATOM 0 HB THR A 9 -10.257 -10.620 8.969 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.826 -9.155 7.127 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.288 -9.996 7.579 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.292 -9.089 9.110 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.789 -8.288 7.603 1.00 19.70 H new ATOM 161 N GLY A 10 -7.079 -8.755 9.191 1.00 19.43 N ATOM 162 CA GLY A 10 -5.680 -9.202 9.524 1.00 18.74 C ATOM 163 C GLY A 10 -5.133 -10.191 8.538 1.00 17.62 C ATOM 164 O GLY A 10 -4.039 -10.667 8.743 1.00 19.74 O ATOM 0 H GLY A 10 -7.087 -8.017 8.487 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.025 -8.332 9.560 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.673 -9.647 10.519 1.00 18.74 H new ATOM 168 N LYS A 11 -5.790 -10.457 7.436 1.00 13.56 N ATOM 169 CA LYS A 11 -5.316 -11.295 6.329 1.00 11.91 C ATOM 170 C LYS A 11 -4.002 -10.734 5.736 1.00 10.18 C ATOM 171 O LYS A 11 -3.804 -9.526 5.835 1.00 9.10 O ATOM 172 CB LYS A 11 -6.397 -11.289 5.260 1.00 13.43 C ATOM 173 CG LYS A 11 -6.187 -12.281 4.108 1.00 16.69 C ATOM 174 CD LYS A 11 -7.404 -12.516 3.210 1.00 17.92 C ATOM 175 CE LYS A 11 -7.485 -11.353 2.223 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.705 -11.508 1.464 1.00 21.93 N ATOM 0 H LYS A 11 -6.722 -10.081 7.265 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.117 -12.305 6.687 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.354 -11.506 5.734 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.467 -10.284 4.844 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.364 -11.923 3.489 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.877 -13.238 4.528 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.310 -13.463 2.678 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.314 -12.575 3.807 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.482 -10.400 2.753 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.619 -11.352 1.561 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.672 -10.894 0.625 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.804 -12.499 1.165 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.518 -11.242 2.056 1.00 21.93 H new ATOM 190 N THR A 12 -3.091 -11.567 5.196 1.00 9.63 N ATOM 191 CA THR A 12 -1.876 -11.073 4.520 1.00 9.85 C ATOM 192 C THR A 12 -2.030 -10.968 2.995 1.00 11.66 C ATOM 193 O THR A 12 -2.239 -11.989 2.359 1.00 12.33 O ATOM 194 CB THR A 12 -0.586 -11.832 4.891 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.123 -11.618 6.238 1.00 10.91 O ATOM 196 CG2 THR A 12 0.623 -11.478 3.961 1.00 9.63 C ATOM 0 H THR A 12 -3.174 -12.583 5.215 1.00 9.63 H new ATOM 0 HA THR A 12 -1.760 -10.062 4.911 1.00 9.85 H new ATOM 0 HB THR A 12 -0.894 -12.871 4.770 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.695 -12.136 6.389 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.500 -12.044 4.273 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.376 -11.732 2.930 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.836 -10.411 4.031 1.00 9.63 H new ATOM 204 N ILE A 13 -1.801 -9.761 2.414 1.00 10.42 N ATOM 205 CA ILE A 13 -1.647 -9.539 0.959 1.00 11.84 C ATOM 206 C ILE A 13 -0.152 -9.608 0.681 1.00 10.55 C ATOM 207 O ILE A 13 0.669 -9.081 1.431 1.00 11.92 O ATOM 208 CB ILE A 13 -2.270 -8.236 0.453 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.778 -8.274 0.716 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.032 -8.098 -1.060 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.420 -6.906 0.478 1.00 16.46 C ATOM 0 H ILE A 13 -1.717 -8.902 2.957 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.196 -10.304 0.411 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.816 -7.391 0.970 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.244 -9.014 0.066 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.962 -8.591 1.743 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.478 -7.169 -1.415 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.961 -8.087 -1.260 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.489 -8.941 -1.579 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.491 -6.968 0.673 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.971 -6.172 1.147 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.257 -6.602 -0.556 1.00 16.46 H new ATOM 223 N THR A 14 0.324 -10.331 -0.335 1.00 9.39 N ATOM 224 CA THR A 14 1.780 -10.483 -0.508 1.00 9.63 C ATOM 225 C THR A 14 2.098 -9.977 -1.912 1.00 11.20 C ATOM 226 O THR A 14 1.502 -10.436 -2.869 1.00 11.63 O ATOM 227 CB THR A 14 2.258 -11.876 -0.360 1.00 10.38 C ATOM 228 OG1 THR A 14 2.075 -12.397 1.006 1.00 16.30 O ATOM 229 CG2 THR A 14 3.793 -11.946 -0.556 1.00 11.66 C ATOM 0 H THR A 14 -0.249 -10.807 -1.031 1.00 9.39 H new ATOM 0 HA THR A 14 2.288 -9.919 0.274 1.00 9.63 H new ATOM 0 HB THR A 14 1.688 -12.445 -1.095 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.879 -12.216 1.536 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.127 -12.977 -0.444 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.049 -11.588 -1.553 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.284 -11.322 0.191 1.00 11.66 H new ATOM 237 N LEU A 15 3.022 -9.027 -2.031 1.00 8.29 N ATOM 238 CA LEU A 15 3.223 -8.361 -3.349 1.00 9.03 C ATOM 239 C LEU A 15 4.646 -8.353 -3.804 1.00 8.59 C ATOM 240 O LEU A 15 5.519 -8.116 -3.015 1.00 7.79 O ATOM 241 CB LEU A 15 2.804 -6.847 -3.251 1.00 11.08 C ATOM 242 CG LEU A 15 1.376 -6.587 -2.706 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.150 -5.094 -2.455 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.293 -7.058 -3.693 1.00 15.27 C ATOM 0 H LEU A 15 3.627 -8.700 -1.278 1.00 8.29 H new ATOM 0 HA LEU A 15 2.618 -8.932 -4.053 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.519 -6.330 -2.611 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.883 -6.401 -4.242 1.00 11.08 H new ATOM 0 HG LEU A 15 1.298 -7.150 -1.776 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.141 -4.938 -2.073 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.874 -4.734 -1.724 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.273 -4.545 -3.389 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.693 -6.858 -3.274 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.402 -6.522 -4.636 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.402 -8.128 -3.869 1.00 15.27 H new ATOM 256 N GLU A 16 4.884 -8.631 -5.099 1.00 11.04 N ATOM 257 CA GLU A 16 6.195 -8.469 -5.727 1.00 11.50 C ATOM 258 C GLU A 16 6.248 -7.029 -6.201 1.00 10.13 C ATOM 259 O GLU A 16 5.532 -6.587 -7.116 1.00 9.83 O ATOM 260 CB GLU A 16 6.402 -9.560 -6.844 1.00 17.22 C ATOM 261 CG GLU A 16 7.564 -9.374 -7.793 1.00 23.33 C ATOM 262 CD GLU A 16 8.874 -9.378 -7.035 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.422 -10.434 -6.698 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.484 -8.263 -6.919 1.00 28.90 O ATOM 0 H GLU A 16 4.165 -8.975 -5.736 1.00 11.04 H new ATOM 0 HA GLU A 16 7.031 -8.636 -5.048 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.520 -10.526 -6.353 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.489 -9.613 -7.437 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.565 -10.171 -8.537 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.453 -8.434 -8.333 1.00 23.33 H new ATOM 271 N VAL A 17 7.165 -6.228 -5.630 1.00 8.99 N ATOM 272 CA VAL A 17 7.304 -4.784 -5.816 1.00 8.85 C ATOM 273 C VAL A 17 8.758 -4.287 -5.969 1.00 8.04 C ATOM 274 O VAL A 17 9.630 -4.999 -5.505 1.00 8.99 O ATOM 275 CB VAL A 17 6.742 -3.969 -4.633 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.200 -4.150 -4.791 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.263 -4.464 -3.315 1.00 10.54 C ATOM 0 H VAL A 17 7.867 -6.599 -4.990 1.00 8.99 H new ATOM 0 HA VAL A 17 6.745 -4.625 -6.738 1.00 8.85 H new ATOM 0 HB VAL A 17 7.040 -2.921 -4.644 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.687 -3.609 -3.996 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.885 -3.759 -5.758 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.950 -5.209 -4.729 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.843 -3.863 -2.509 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.975 -5.506 -3.178 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.350 -4.383 -3.300 1.00 10.54 H new ATOM 287 N GLU A 18 9.109 -3.180 -6.606 1.00 7.29 N ATOM 288 CA GLU A 18 10.430 -2.726 -6.639 1.00 7.08 C ATOM 289 C GLU A 18 10.508 -1.469 -5.753 1.00 6.45 C ATOM 290 O GLU A 18 9.465 -0.823 -5.684 1.00 5.28 O ATOM 291 CB GLU A 18 10.911 -2.299 -8.050 1.00 10.28 C ATOM 292 CG GLU A 18 10.878 -3.400 -9.161 1.00 12.65 C ATOM 293 CD GLU A 18 11.857 -4.488 -8.892 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.036 -4.182 -9.193 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.546 -5.541 -8.282 1.00 18.17 O ATOM 0 H GLU A 18 8.451 -2.586 -7.112 1.00 7.29 H new ATOM 0 HA GLU A 18 11.059 -3.551 -6.304 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.297 -1.462 -8.381 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.933 -1.930 -7.965 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.875 -3.822 -9.225 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.095 -2.947 -10.128 1.00 12.65 H new ATOM 302 N PRO A 19 11.659 -0.991 -5.155 1.00 7.24 N ATOM 303 CA PRO A 19 11.706 0.205 -4.374 1.00 7.07 C ATOM 304 C PRO A 19 11.296 1.453 -5.090 1.00 6.65 C ATOM 305 O PRO A 19 10.856 2.387 -4.482 1.00 6.37 O ATOM 306 CB PRO A 19 13.165 0.388 -3.997 1.00 7.61 C ATOM 307 CG PRO A 19 13.619 -1.081 -3.840 1.00 8.16 C ATOM 308 CD PRO A 19 12.843 -1.865 -4.931 1.00 7.49 C ATOM 0 HA PRO A 19 11.008 0.079 -3.546 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.727 0.912 -4.770 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.284 0.957 -3.075 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.696 -1.177 -3.977 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.389 -1.460 -2.844 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.433 -1.994 -5.839 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.557 -2.861 -4.593 1.00 7.49 H new ATOM 316 N SER A 20 11.509 1.470 -6.453 1.00 6.80 N ATOM 317 CA SER A 20 11.095 2.564 -7.390 1.00 6.28 C ATOM 318 C SER A 20 9.606 2.629 -7.770 1.00 8.45 C ATOM 319 O SER A 20 9.201 3.642 -8.342 1.00 7.26 O ATOM 320 CB SER A 20 12.015 2.626 -8.659 1.00 8.57 C ATOM 321 OG SER A 20 12.031 1.379 -9.282 1.00 11.13 O ATOM 0 H SER A 20 11.983 0.705 -6.933 1.00 6.80 H new ATOM 0 HA SER A 20 11.241 3.464 -6.792 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.649 3.385 -9.350 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.027 2.915 -8.374 1.00 8.57 H new ATOM 0 HG SER A 20 12.604 1.417 -10.076 1.00 11.13 H new ATOM 327 N ASP A 21 8.774 1.650 -7.517 1.00 7.50 N ATOM 328 CA ASP A 21 7.320 1.736 -7.698 1.00 7.70 C ATOM 329 C ASP A 21 6.677 2.801 -6.845 1.00 7.08 C ATOM 330 O ASP A 21 7.080 2.948 -5.680 1.00 8.11 O ATOM 331 CB ASP A 21 6.745 0.301 -7.391 1.00 11.00 C ATOM 332 CG ASP A 21 7.218 -0.812 -8.309 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.838 -0.543 -9.363 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.012 -1.986 -7.968 1.00 18.03 O ATOM 0 H ASP A 21 9.083 0.742 -7.170 1.00 7.50 H new ATOM 0 HA ASP A 21 7.089 2.040 -8.719 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.007 0.037 -6.366 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.657 0.348 -7.440 1.00 11.00 H new ATOM 339 N THR A 22 5.645 3.477 -7.325 1.00 5.37 N ATOM 340 CA THR A 22 4.933 4.443 -6.581 1.00 6.01 C ATOM 341 C THR A 22 3.953 3.785 -5.666 1.00 8.01 C ATOM 342 O THR A 22 3.699 2.612 -5.892 1.00 8.11 O ATOM 343 CB THR A 22 4.291 5.497 -7.350 1.00 8.92 C ATOM 344 OG1 THR A 22 3.343 4.997 -8.264 1.00 10.22 O ATOM 345 CG2 THR A 22 5.325 6.365 -8.013 1.00 9.65 C ATOM 0 H THR A 22 5.288 3.348 -8.272 1.00 5.37 H new ATOM 0 HA THR A 22 5.701 4.961 -6.007 1.00 6.01 H new ATOM 0 HB THR A 22 3.726 6.119 -6.656 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.938 5.742 -8.755 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.829 7.149 -8.585 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.962 6.818 -7.253 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.935 5.758 -8.682 1.00 9.65 H new ATOM 353 N ILE A 23 3.430 4.465 -4.590 1.00 8.32 N ATOM 354 CA ILE A 23 2.335 4.046 -3.712 1.00 9.92 C ATOM 355 C ILE A 23 1.094 3.813 -4.550 1.00 10.01 C ATOM 356 O ILE A 23 0.372 2.790 -4.392 1.00 8.71 O ATOM 357 CB ILE A 23 2.118 4.996 -2.528 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.438 5.283 -1.785 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.076 4.419 -1.535 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.362 4.118 -1.333 1.00 12.30 C ATOM 0 H ILE A 23 3.802 5.374 -4.316 1.00 8.32 H new ATOM 0 HA ILE A 23 2.602 3.103 -3.235 1.00 9.92 H new ATOM 0 HB ILE A 23 1.739 5.933 -2.935 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.032 5.934 -2.426 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.186 5.857 -0.894 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.941 5.113 -0.705 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.125 4.277 -2.048 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.429 3.461 -1.153 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.239 4.524 -0.829 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.818 3.467 -0.648 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.678 3.545 -2.205 1.00 12.30 H new ATOM 372 N GLU A 24 0.834 4.644 -5.582 1.00 9.54 N ATOM 373 CA GLU A 24 -0.282 4.409 -6.529 1.00 11.81 C ATOM 374 C GLU A 24 -0.184 3.057 -7.284 1.00 11.14 C ATOM 375 O GLU A 24 -1.172 2.287 -7.357 1.00 10.62 O ATOM 376 CB GLU A 24 -0.278 5.549 -7.623 1.00 19.24 C ATOM 377 CG GLU A 24 -1.624 5.667 -8.285 1.00 27.76 C ATOM 378 CD GLU A 24 -1.682 6.900 -9.168 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.640 7.574 -9.372 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.821 7.272 -9.538 1.00 36.51 O ATOM 0 H GLU A 24 1.379 5.482 -5.782 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.192 4.399 -5.929 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.011 6.500 -7.161 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.483 5.335 -8.374 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.820 4.777 -8.882 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.405 5.720 -7.526 1.00 27.76 H new ATOM 387 N ASN A 25 1.041 2.743 -7.705 1.00 9.43 N ATOM 388 CA ASN A 25 1.404 1.441 -8.327 1.00 10.96 C ATOM 389 C ASN A 25 1.241 0.260 -7.377 1.00 9.68 C ATOM 390 O ASN A 25 0.828 -0.780 -7.871 1.00 9.33 O ATOM 391 CB ASN A 25 2.795 1.554 -8.923 1.00 16.78 C ATOM 392 CG ASN A 25 3.009 0.543 -9.995 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.807 -0.366 -9.777 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.379 0.719 -11.163 1.00 24.70 N ATOM 0 H ASN A 25 1.830 3.385 -7.629 1.00 9.43 H new ATOM 0 HA ASN A 25 0.702 1.224 -9.132 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.938 2.555 -9.330 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.541 1.419 -8.139 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.551 0.077 -11.937 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.727 1.495 -11.279 1.00 24.70 H new ATOM 401 N VAL A 26 1.570 0.350 -6.042 1.00 6.52 N ATOM 402 CA VAL A 26 1.409 -0.714 -5.088 1.00 5.53 C ATOM 403 C VAL A 26 -0.125 -0.927 -4.848 1.00 4.42 C ATOM 404 O VAL A 26 -0.664 -2.017 -4.898 1.00 3.40 O ATOM 405 CB VAL A 26 2.124 -0.394 -3.724 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.643 -1.502 -2.715 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.648 -0.583 -3.851 1.00 8.12 C ATOM 0 H VAL A 26 1.959 1.198 -5.631 1.00 6.52 H new ATOM 0 HA VAL A 26 1.870 -1.617 -5.487 1.00 5.53 H new ATOM 0 HB VAL A 26 1.897 0.627 -3.418 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.107 -1.335 -1.743 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.559 -1.455 -2.613 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.930 -2.485 -3.090 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.123 -0.357 -2.897 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.865 -1.614 -4.129 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.035 0.088 -4.618 1.00 8.12 H new ATOM 417 N LYS A 27 -0.940 0.173 -4.815 1.00 2.64 N ATOM 418 CA LYS A 27 -2.409 0.087 -4.853 1.00 4.14 C ATOM 419 C LYS A 27 -2.984 -0.651 -6.090 1.00 5.58 C ATOM 420 O LYS A 27 -4.030 -1.276 -5.918 1.00 4.11 O ATOM 421 CB LYS A 27 -3.046 1.457 -4.598 1.00 3.97 C ATOM 422 CG LYS A 27 -2.591 2.040 -3.229 1.00 7.45 C ATOM 423 CD LYS A 27 -3.249 3.436 -2.939 1.00 9.02 C ATOM 424 CE LYS A 27 -3.071 4.017 -1.544 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.456 5.459 -1.444 1.00 15.47 N ATOM 0 H LYS A 27 -0.586 1.128 -4.762 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.697 -0.563 -4.027 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.771 2.144 -5.399 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.132 1.365 -4.615 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.852 1.343 -2.433 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.506 2.141 -3.220 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.849 4.153 -3.656 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.318 3.352 -3.135 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.670 3.440 -0.840 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.029 3.906 -1.243 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.871 5.925 -0.721 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.306 5.923 -2.363 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.459 5.533 -1.178 1.00 15.47 H new ATOM 439 N ALA A 28 -2.372 -0.509 -7.267 1.00 6.61 N ATOM 440 CA ALA A 28 -2.673 -1.304 -8.464 1.00 7.74 C ATOM 441 C ALA A 28 -2.293 -2.684 -8.376 1.00 9.17 C ATOM 442 O ALA A 28 -2.994 -3.541 -8.968 1.00 11.45 O ATOM 443 CB ALA A 28 -1.930 -0.693 -9.661 1.00 7.68 C ATOM 0 H ALA A 28 -1.634 0.179 -7.420 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.757 -1.278 -8.574 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.145 -1.274 -10.558 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.260 0.336 -9.808 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.857 -0.706 -9.469 1.00 7.68 H new ATOM 449 N LYS A 29 -1.240 -3.026 -7.617 1.00 8.96 N ATOM 450 CA LYS A 29 -1.040 -4.416 -7.212 1.00 7.90 C ATOM 451 C LYS A 29 -2.022 -5.053 -6.200 1.00 6.92 C ATOM 452 O LYS A 29 -2.554 -6.159 -6.318 1.00 6.87 O ATOM 453 CB LYS A 29 0.376 -4.664 -6.614 1.00 10.28 C ATOM 454 CG LYS A 29 1.595 -4.184 -7.398 1.00 14.94 C ATOM 455 CD LYS A 29 1.758 -4.893 -8.710 1.00 19.69 C ATOM 456 CE LYS A 29 3.103 -4.635 -9.426 1.00 22.63 C ATOM 457 NZ LYS A 29 3.208 -3.183 -9.649 1.00 24.98 N ATOM 0 H LYS A 29 -0.532 -2.373 -7.281 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.215 -4.897 -8.175 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.408 -4.193 -5.632 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.485 -5.737 -6.456 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.507 -3.113 -7.578 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.491 -4.334 -6.795 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.652 -5.965 -8.543 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.947 -4.592 -9.373 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.936 -4.992 -8.820 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.144 -5.173 -10.373 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.014 -2.985 -10.275 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.333 -2.835 -10.091 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.351 -2.701 -8.738 1.00 24.98 H new ATOM 471 N ILE A 30 -2.469 -4.243 -5.236 1.00 4.57 N ATOM 472 CA ILE A 30 -3.536 -4.580 -4.291 1.00 5.58 C ATOM 473 C ILE A 30 -4.873 -4.761 -5.081 1.00 7.26 C ATOM 474 O ILE A 30 -5.679 -5.726 -4.832 1.00 9.46 O ATOM 475 CB ILE A 30 -3.588 -3.594 -3.124 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.315 -3.582 -2.272 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.829 -4.069 -2.287 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.300 -2.403 -1.285 1.00 2.00 C ATOM 0 H ILE A 30 -2.087 -3.309 -5.088 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.334 -5.534 -3.805 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.670 -2.567 -3.480 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.238 -4.519 -1.720 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.443 -3.523 -2.923 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.953 -3.420 -1.420 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.725 -4.022 -2.906 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.672 -5.095 -1.953 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.381 -2.430 -0.700 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.350 -1.465 -1.838 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.158 -2.477 -0.617 1.00 2.00 H new ATOM 490 N GLN A 31 -5.134 -3.910 -6.067 1.00 7.06 N ATOM 491 CA GLN A 31 -6.272 -3.952 -7.015 1.00 8.67 C ATOM 492 C GLN A 31 -6.240 -5.271 -7.826 1.00 10.90 C ATOM 493 O GLN A 31 -7.267 -5.901 -8.050 1.00 9.63 O ATOM 494 CB GLN A 31 -6.273 -2.725 -7.898 1.00 9.12 C ATOM 495 CG GLN A 31 -7.534 -2.699 -8.836 1.00 10.76 C ATOM 496 CD GLN A 31 -7.679 -1.451 -9.631 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.701 -0.743 -9.550 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.675 -1.115 -10.451 1.00 14.76 N ATOM 0 H GLN A 31 -4.523 -3.114 -6.248 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.209 -3.938 -6.458 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.259 -1.828 -7.279 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.366 -2.709 -8.503 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.482 -3.547 -9.519 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.428 -2.834 -8.227 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.844 -1.704 -10.508 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.741 -0.270 -11.019 1.00 14.76 H new ATOM 507 N ASP A 32 -5.086 -5.672 -8.328 1.00 10.93 N ATOM 508 CA ASP A 32 -4.911 -6.928 -9.030 1.00 14.01 C ATOM 509 C ASP A 32 -5.156 -8.155 -8.129 1.00 14.04 C ATOM 510 O ASP A 32 -5.903 -9.074 -8.426 1.00 13.39 O ATOM 511 CB ASP A 32 -3.557 -6.895 -9.655 1.00 18.01 C ATOM 512 CG ASP A 32 -3.324 -7.990 -10.652 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.168 -8.199 -11.579 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.411 -8.829 -10.472 1.00 25.17 O ATOM 0 H ASP A 32 -4.229 -5.123 -8.257 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.665 -7.039 -9.810 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.418 -5.933 -10.147 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.803 -6.964 -8.871 1.00 18.01 H new ATOM 519 N LYS A 33 -4.585 -8.181 -6.933 1.00 14.22 N ATOM 520 CA LYS A 33 -4.892 -9.196 -5.972 1.00 14.00 C ATOM 521 C LYS A 33 -6.345 -9.241 -5.380 1.00 12.37 C ATOM 522 O LYS A 33 -7.024 -10.290 -5.333 1.00 12.17 O ATOM 523 CB LYS A 33 -3.934 -9.080 -4.717 1.00 18.62 C ATOM 524 CG LYS A 33 -2.436 -9.328 -5.039 1.00 24.00 C ATOM 525 CD LYS A 33 -2.224 -10.630 -5.837 1.00 27.61 C ATOM 526 CE LYS A 33 -0.752 -10.950 -5.940 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.499 -11.911 -7.094 1.00 30.06 N ATOM 0 H LYS A 33 -3.900 -7.495 -6.615 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.765 -10.099 -6.569 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.041 -8.086 -4.282 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.255 -9.796 -3.960 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.044 -8.486 -5.609 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.869 -9.376 -4.110 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.748 -11.452 -5.350 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.651 -10.526 -6.835 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.183 -10.032 -6.091 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.403 -11.392 -5.007 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.518 -12.122 -7.153 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.027 -12.792 -6.934 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.814 -11.475 -7.984 1.00 30.06 H new ATOM 541 N GLU A 34 -6.852 -8.084 -4.879 1.00 10.11 N ATOM 542 CA GLU A 34 -8.107 -8.001 -4.080 1.00 10.07 C ATOM 543 C GLU A 34 -9.281 -7.453 -4.755 1.00 9.32 C ATOM 544 O GLU A 34 -10.371 -7.656 -4.255 1.00 11.61 O ATOM 545 CB GLU A 34 -7.865 -7.390 -2.719 1.00 14.77 C ATOM 546 CG GLU A 34 -6.897 -8.127 -1.701 1.00 18.75 C ATOM 547 CD GLU A 34 -7.250 -9.569 -1.434 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.283 -9.754 -0.740 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.618 -10.481 -1.991 1.00 25.19 O ATOM 0 H GLU A 34 -6.402 -7.179 -5.017 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.393 -9.043 -3.939 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.473 -6.385 -2.876 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.834 -7.282 -2.231 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.879 -8.081 -2.089 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.903 -7.584 -0.756 1.00 18.75 H new ATOM 556 N GLY A 35 -9.125 -6.722 -5.781 1.00 7.22 N ATOM 557 CA GLY A 35 -10.218 -6.141 -6.537 1.00 6.29 C ATOM 558 C GLY A 35 -10.715 -4.870 -5.836 1.00 6.93 C ATOM 559 O GLY A 35 -11.927 -4.640 -5.750 1.00 7.41 O ATOM 0 H GLY A 35 -8.206 -6.486 -6.155 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.888 -5.904 -7.548 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.032 -6.860 -6.628 1.00 6.29 H new ATOM 563 N ILE A 36 -9.889 -3.956 -5.298 1.00 5.86 N ATOM 564 CA ILE A 36 -10.311 -2.827 -4.570 1.00 6.07 C ATOM 565 C ILE A 36 -9.795 -1.630 -5.394 1.00 6.36 C ATOM 566 O ILE A 36 -8.615 -1.715 -5.702 1.00 6.18 O ATOM 567 CB ILE A 36 -9.748 -2.740 -3.166 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.928 -4.064 -2.355 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.362 -1.623 -2.344 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.913 -4.248 -1.283 1.00 9.49 C ATOM 0 H ILE A 36 -8.874 -4.019 -5.382 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.392 -2.861 -4.436 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.688 -2.540 -3.325 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.922 -4.074 -1.908 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.878 -4.910 -3.041 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.916 -1.615 -1.350 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.176 -0.667 -2.833 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.437 -1.783 -2.258 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.100 -5.187 -0.762 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.917 -4.270 -1.725 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.978 -3.422 -0.575 1.00 9.49 H new ATOM 582 N PRO A 37 -10.576 -0.515 -5.783 1.00 8.65 N ATOM 583 CA PRO A 37 -10.097 0.760 -6.372 1.00 9.18 C ATOM 584 C PRO A 37 -9.040 1.454 -5.432 1.00 9.85 C ATOM 585 O PRO A 37 -9.343 1.680 -4.230 1.00 8.51 O ATOM 586 CB PRO A 37 -11.375 1.637 -6.540 1.00 11.42 C ATOM 587 CG PRO A 37 -12.470 0.597 -6.609 1.00 9.27 C ATOM 588 CD PRO A 37 -12.043 -0.534 -5.680 1.00 8.33 C ATOM 0 HA PRO A 37 -9.590 0.605 -7.324 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.514 2.319 -5.701 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.335 2.246 -7.443 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.426 1.017 -6.297 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.599 0.235 -7.629 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.377 -0.363 -4.657 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.457 -1.492 -5.995 1.00 8.33 H new ATOM 596 N PRO A 38 -7.913 1.901 -5.892 1.00 8.71 N ATOM 597 CA PRO A 38 -6.944 2.753 -5.195 1.00 9.08 C ATOM 598 C PRO A 38 -7.564 3.884 -4.373 1.00 9.28 C ATOM 599 O PRO A 38 -7.148 4.192 -3.247 1.00 6.50 O ATOM 600 CB PRO A 38 -5.997 3.275 -6.274 1.00 10.31 C ATOM 601 CG PRO A 38 -5.978 2.176 -7.322 1.00 10.81 C ATOM 602 CD PRO A 38 -7.365 1.476 -7.184 1.00 12.00 C ATOM 0 HA PRO A 38 -6.421 2.167 -4.440 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.352 4.217 -6.692 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.000 3.459 -5.873 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.838 2.585 -8.323 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.161 1.476 -7.147 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.028 1.762 -8.001 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.259 0.392 -7.224 1.00 12.00 H new ATOM 610 N ASP A 39 -8.645 4.558 -4.804 1.00 11.20 N ATOM 611 CA ASP A 39 -9.313 5.602 -4.092 1.00 14.96 C ATOM 612 C ASP A 39 -10.023 5.126 -2.783 1.00 13.99 C ATOM 613 O ASP A 39 -10.392 5.940 -1.926 1.00 13.75 O ATOM 614 CB ASP A 39 -10.404 6.277 -5.042 1.00 24.16 C ATOM 615 CG ASP A 39 -9.739 7.203 -6.012 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.976 8.126 -5.577 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.015 7.041 -7.207 1.00 34.22 O ATOM 0 H ASP A 39 -9.079 4.361 -5.706 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.538 6.309 -3.796 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.954 5.506 -5.582 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.130 6.826 -4.442 1.00 24.16 H new ATOM 622 N GLN A 40 -10.274 3.828 -2.593 1.00 11.60 N ATOM 623 CA GLN A 40 -10.825 3.186 -1.397 1.00 10.76 C ATOM 624 C GLN A 40 -9.679 2.658 -0.548 1.00 8.01 C ATOM 625 O GLN A 40 -9.880 1.900 0.444 1.00 8.96 O ATOM 626 CB GLN A 40 -11.769 2.036 -1.788 1.00 11.14 C ATOM 627 CG GLN A 40 -12.913 2.445 -2.630 1.00 14.85 C ATOM 628 CD GLN A 40 -14.146 1.614 -2.319 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.568 0.784 -3.107 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.824 1.953 -1.173 1.00 18.16 N ATOM 0 H GLN A 40 -10.083 3.147 -3.328 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.399 3.916 -0.827 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.196 1.276 -2.319 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.150 1.570 -0.879 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.131 3.500 -2.465 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.652 2.334 -3.682 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.437 2.652 -0.539 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.714 1.505 -0.956 1.00 18.16 H new ATOM 639 N GLN A 41 -8.380 2.879 -1.026 1.00 6.52 N ATOM 640 CA GLN A 41 -7.194 2.379 -0.291 1.00 3.87 C ATOM 641 C GLN A 41 -6.454 3.504 0.306 1.00 4.79 C ATOM 642 O GLN A 41 -5.928 4.393 -0.353 1.00 6.34 O ATOM 643 CB GLN A 41 -6.198 1.569 -1.194 1.00 4.20 C ATOM 644 CG GLN A 41 -6.932 0.428 -1.876 1.00 3.20 C ATOM 645 CD GLN A 41 -5.879 -0.387 -2.716 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.825 -0.685 -2.185 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.252 -0.626 -3.970 1.00 7.13 N ATOM 0 H GLN A 41 -8.165 3.383 -1.886 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.581 1.706 0.474 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.754 2.226 -1.942 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.381 1.177 -0.589 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.411 -0.214 -1.137 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.721 0.813 -2.522 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.170 -0.322 -4.296 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.620 -1.113 -4.606 1.00 7.13 H new ATOM 656 N ARG A 42 -6.270 3.495 1.671 1.00 5.73 N ATOM 657 CA ARG A 42 -5.354 4.349 2.422 1.00 6.97 C ATOM 658 C ARG A 42 -4.268 3.316 2.844 1.00 7.15 C ATOM 659 O ARG A 42 -4.640 2.193 3.212 1.00 7.33 O ATOM 660 CB ARG A 42 -6.034 5.070 3.620 1.00 13.23 C ATOM 661 CG ARG A 42 -6.851 6.296 3.193 1.00 21.27 C ATOM 662 CD ARG A 42 -7.579 7.080 4.282 1.00 26.14 C ATOM 663 NE ARG A 42 -7.935 8.472 3.809 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.729 9.328 4.439 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.424 9.015 5.500 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.764 10.550 3.970 1.00 36.39 N ATOM 0 H ARG A 42 -6.788 2.858 2.276 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.959 5.192 1.855 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.687 4.367 4.138 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.270 5.379 4.333 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.180 6.983 2.678 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.592 5.968 2.464 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.486 6.549 4.572 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.950 7.145 5.170 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.528 8.780 2.926 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.372 8.071 5.884 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.019 9.714 5.944 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.198 10.802 3.160 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.357 11.250 4.415 1.00 36.39 H new ATOM 680 N LEU A 43 -2.983 3.616 2.726 1.00 4.65 N ATOM 681 CA LEU A 43 -1.973 2.681 3.194 1.00 3.51 C ATOM 682 C LEU A 43 -1.079 3.267 4.324 1.00 5.56 C ATOM 683 O LEU A 43 -0.448 4.317 4.226 1.00 4.19 O ATOM 684 CB LEU A 43 -0.996 2.165 2.119 1.00 3.74 C ATOM 685 CG LEU A 43 -1.708 1.481 0.942 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.797 1.053 -0.211 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.345 0.205 1.472 1.00 6.41 C ATOM 0 H LEU A 43 -2.621 4.479 2.320 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.592 1.856 3.547 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.404 2.999 1.743 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.301 1.460 2.575 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.408 2.217 0.547 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.395 0.581 -0.991 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.293 1.928 -0.620 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.054 0.345 0.156 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.861 -0.308 0.661 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.571 -0.446 1.879 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.060 0.454 2.257 1.00 6.41 H new ATOM 699 N ILE A 44 -0.866 2.509 5.370 1.00 4.58 N ATOM 700 CA ILE A 44 -0.152 2.906 6.561 1.00 5.55 C ATOM 701 C ILE A 44 1.143 2.147 6.706 1.00 5.46 C ATOM 702 O ILE A 44 1.231 0.920 6.569 1.00 6.04 O ATOM 703 CB ILE A 44 -0.806 2.584 7.897 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.281 3.065 7.979 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.065 2.943 9.207 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.467 4.564 7.814 1.00 13.90 C ATOM 0 H ILE A 44 -1.203 1.547 5.418 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.081 3.982 6.399 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.747 1.496 7.866 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.860 2.553 7.210 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.695 2.764 8.942 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.672 2.645 10.062 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.890 2.419 9.240 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.110 4.018 9.243 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.527 4.809 7.885 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.920 5.087 8.598 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.088 4.873 6.840 1.00 13.90 H new ATOM 718 N PHE A 45 2.290 2.895 6.966 1.00 6.75 N ATOM 719 CA PHE A 45 3.599 2.384 7.371 1.00 4.70 C ATOM 720 C PHE A 45 4.218 3.472 8.244 1.00 6.34 C ATOM 721 O PHE A 45 4.314 4.643 7.879 1.00 5.45 O ATOM 722 CB PHE A 45 4.391 1.975 6.120 1.00 5.51 C ATOM 723 CG PHE A 45 5.778 1.532 6.458 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.088 0.206 6.893 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.847 2.414 6.245 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.345 -0.177 7.125 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.130 2.041 6.535 1.00 6.64 C ATOM 728 CZ PHE A 45 8.418 0.723 6.915 1.00 6.84 C ATOM 0 H PHE A 45 2.288 3.912 6.885 1.00 6.75 H new ATOM 0 HA PHE A 45 3.569 1.471 7.966 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.867 1.169 5.607 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.437 2.816 5.428 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.286 -0.503 7.037 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.655 3.399 5.847 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.545 -1.179 7.475 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.927 2.767 6.471 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.440 0.400 7.045 1.00 6.84 H new ATOM 738 N ALA A 46 4.793 3.045 9.377 1.00 6.53 N ATOM 739 CA ALA A 46 5.741 3.821 10.206 1.00 7.15 C ATOM 740 C ALA A 46 5.270 5.167 10.581 1.00 9.00 C ATOM 741 O ALA A 46 6.012 6.128 10.575 1.00 11.15 O ATOM 742 CB ALA A 46 7.136 3.906 9.564 1.00 8.99 C ATOM 0 H ALA A 46 4.608 2.118 9.759 1.00 6.53 H new ATOM 0 HA ALA A 46 5.809 3.252 11.133 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.798 4.485 10.208 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.540 2.902 9.437 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.060 4.392 8.591 1.00 8.99 H new ATOM 748 N GLY A 47 3.998 5.248 11.031 1.00 9.35 N ATOM 749 CA GLY A 47 3.362 6.481 11.458 1.00 11.68 C ATOM 750 C GLY A 47 2.913 7.426 10.369 1.00 11.14 C ATOM 751 O GLY A 47 2.690 8.583 10.711 1.00 13.93 O ATOM 0 H GLY A 47 3.387 4.435 11.103 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.493 6.223 12.064 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.056 7.015 12.107 1.00 11.68 H new ATOM 755 N LYS A 48 2.978 6.904 9.195 1.00 10.47 N ATOM 756 CA LYS A 48 2.773 7.769 8.042 1.00 8.82 C ATOM 757 C LYS A 48 1.623 7.119 7.222 1.00 7.68 C ATOM 758 O LYS A 48 1.528 5.904 7.041 1.00 6.47 O ATOM 759 CB LYS A 48 4.031 7.753 7.143 1.00 9.74 C ATOM 760 CG LYS A 48 5.389 8.350 7.716 1.00 14.14 C ATOM 761 CD LYS A 48 5.356 9.829 8.073 1.00 16.32 C ATOM 762 CE LYS A 48 6.711 10.537 8.462 1.00 20.04 C ATOM 763 NZ LYS A 48 7.304 9.932 9.638 1.00 23.92 N ATOM 0 H LYS A 48 3.163 5.922 8.990 1.00 10.47 H new ATOM 0 HA LYS A 48 2.559 8.790 8.358 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.220 6.718 6.858 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.791 8.297 6.229 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.667 7.785 8.606 1.00 14.14 H new ATOM 0 HG3 LYS A 48 6.176 8.190 6.979 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.932 10.366 7.224 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.665 9.954 8.906 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.409 10.474 7.627 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.530 11.596 8.647 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.193 10.420 9.868 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.647 10.014 10.440 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.498 8.928 9.451 1.00 23.92 H new ATOM 777 N GLN A 49 0.656 7.898 6.682 1.00 8.89 N ATOM 778 CA GLN A 49 -0.242 7.466 5.664 1.00 7.18 C ATOM 779 C GLN A 49 0.340 7.801 4.280 1.00 8.23 C ATOM 780 O GLN A 49 0.459 8.976 3.854 1.00 9.70 O ATOM 781 CB GLN A 49 -1.646 7.934 5.955 1.00 11.67 C ATOM 782 CG GLN A 49 -2.640 7.442 4.911 1.00 15.82 C ATOM 783 CD GLN A 49 -3.916 8.229 4.960 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.397 8.697 3.919 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.601 8.224 6.122 1.00 20.67 N ATOM 0 H GLN A 49 0.501 8.864 6.972 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.344 6.381 5.654 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.949 7.579 6.940 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.665 9.023 5.989 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.198 7.523 3.918 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.854 6.387 5.079 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.177 7.831 6.962 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.543 8.613 6.160 1.00 20.67 H new ATOM 794 N LEU A 50 0.834 6.821 3.646 1.00 6.51 N ATOM 795 CA LEU A 50 1.698 6.919 2.489 1.00 7.41 C ATOM 796 C LEU A 50 0.976 7.573 1.282 1.00 8.27 C ATOM 797 O LEU A 50 -0.086 7.118 0.850 1.00 8.34 O ATOM 798 CB LEU A 50 2.160 5.515 2.104 1.00 7.13 C ATOM 799 CG LEU A 50 2.845 4.703 3.216 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.991 3.243 2.760 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.229 5.333 3.636 1.00 9.11 C ATOM 0 H LEU A 50 0.650 5.855 3.917 1.00 6.51 H new ATOM 0 HA LEU A 50 2.548 7.551 2.747 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.295 4.953 1.751 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.850 5.598 1.264 1.00 7.13 H new ATOM 0 HG LEU A 50 2.221 4.730 4.109 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.476 2.663 3.545 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.005 2.825 2.557 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.595 3.204 1.854 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.680 4.729 4.424 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.894 5.358 2.773 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.071 6.347 4.002 1.00 9.11 H new ATOM 813 N GLU A 51 1.526 8.690 0.742 1.00 9.43 N ATOM 814 CA GLU A 51 0.979 9.343 -0.392 1.00 11.90 C ATOM 815 C GLU A 51 1.195 8.670 -1.761 1.00 11.49 C ATOM 816 O GLU A 51 2.256 8.137 -2.116 1.00 9.88 O ATOM 817 CB GLU A 51 1.421 10.801 -0.416 1.00 16.56 C ATOM 818 CG GLU A 51 1.001 11.743 0.716 1.00 26.06 C ATOM 819 CD GLU A 51 1.670 13.103 0.781 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.541 13.990 -0.140 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.238 13.271 1.861 1.00 32.13 O ATOM 0 H GLU A 51 2.366 9.136 1.110 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.099 9.264 -0.254 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.510 10.810 -0.459 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.062 11.234 -1.349 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.075 11.901 0.640 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.183 11.233 1.662 1.00 26.06 H new ATOM 828 N ASP A 52 0.187 8.866 -2.673 1.00 12.71 N ATOM 829 CA ASP A 52 0.066 8.121 -3.887 1.00 16.56 C ATOM 830 C ASP A 52 1.232 8.259 -4.894 1.00 15.83 C ATOM 831 O ASP A 52 1.706 7.316 -5.486 1.00 17.21 O ATOM 832 CB ASP A 52 -1.262 8.500 -4.659 1.00 21.05 C ATOM 833 CG ASP A 52 -2.447 8.311 -3.711 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.637 7.166 -3.232 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.096 9.349 -3.351 1.00 28.37 O ATOM 0 H ASP A 52 -0.549 9.561 -2.546 1.00 12.71 H new ATOM 0 HA ASP A 52 0.067 7.089 -3.535 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.216 9.532 -5.007 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.379 7.871 -5.542 1.00 21.05 H new ATOM 840 N GLY A 53 1.690 9.512 -5.115 1.00 15.00 N ATOM 841 CA GLY A 53 2.715 9.892 -6.047 1.00 11.77 C ATOM 842 C GLY A 53 4.132 9.654 -5.555 1.00 11.10 C ATOM 843 O GLY A 53 5.098 9.789 -6.296 1.00 11.25 O ATOM 0 H GLY A 53 1.317 10.313 -4.606 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.568 9.339 -6.975 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.599 10.949 -6.284 1.00 11.77 H new ATOM 847 N ARG A 54 4.268 9.199 -4.282 1.00 8.53 N ATOM 848 CA ARG A 54 5.639 8.820 -3.772 1.00 9.05 C ATOM 849 C ARG A 54 6.105 7.393 -3.971 1.00 8.96 C ATOM 850 O ARG A 54 5.292 6.540 -4.234 1.00 11.60 O ATOM 851 CB ARG A 54 5.723 9.168 -2.230 1.00 7.97 C ATOM 852 CG ARG A 54 5.014 10.387 -1.740 1.00 9.62 C ATOM 853 CD ARG A 54 5.556 11.711 -2.331 1.00 12.20 C ATOM 854 NE ARG A 54 4.557 12.800 -2.017 1.00 18.23 N ATOM 855 CZ ARG A 54 3.774 13.457 -2.892 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.125 13.463 -4.174 1.00 25.50 N ATOM 857 NH2 ARG A 54 2.779 14.245 -2.538 1.00 23.38 N ATOM 0 H ARG A 54 3.505 9.085 -3.615 1.00 8.53 H new ATOM 0 HA ARG A 54 6.315 9.404 -4.397 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.337 8.313 -1.675 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.776 9.268 -1.969 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.955 10.300 -1.981 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.091 10.428 -0.653 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.529 11.950 -1.903 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.696 11.620 -3.408 1.00 12.20 H new ATOM 0 HE ARG A 54 4.466 13.066 -1.036 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.970 12.977 -4.474 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.549 13.954 -4.858 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.566 14.385 -1.550 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.222 14.715 -3.252 1.00 23.38 H new ATOM 871 N THR A 55 7.398 7.074 -3.935 1.00 9.05 N ATOM 872 CA THR A 55 7.936 5.646 -4.056 1.00 9.03 C ATOM 873 C THR A 55 8.074 4.908 -2.737 1.00 8.15 C ATOM 874 O THR A 55 8.030 5.466 -1.608 1.00 5.91 O ATOM 875 CB THR A 55 9.208 5.489 -4.920 1.00 11.15 C ATOM 876 OG1 THR A 55 10.325 5.940 -4.250 1.00 11.95 O ATOM 877 CG2 THR A 55 8.987 6.319 -6.230 1.00 11.71 C ATOM 0 H THR A 55 8.133 7.772 -3.822 1.00 9.05 H new ATOM 0 HA THR A 55 7.136 5.155 -4.610 1.00 9.03 H new ATOM 0 HB THR A 55 9.377 4.437 -5.149 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.245 6.904 -4.093 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.867 6.233 -6.868 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.115 5.936 -6.760 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.825 7.366 -5.974 1.00 11.71 H new ATOM 885 N LEU A 56 8.370 3.552 -2.820 1.00 6.91 N ATOM 886 CA LEU A 56 8.750 2.748 -1.651 1.00 8.29 C ATOM 887 C LEU A 56 9.989 3.167 -0.965 1.00 8.05 C ATOM 888 O LEU A 56 10.043 3.341 0.280 1.00 10.17 O ATOM 889 CB LEU A 56 8.635 1.257 -1.983 1.00 6.60 C ATOM 890 CG LEU A 56 7.235 0.679 -2.367 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.370 -0.702 -2.938 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.276 0.645 -1.172 1.00 8.64 C ATOM 0 H LEU A 56 8.344 3.025 -3.693 1.00 6.91 H new ATOM 0 HA LEU A 56 8.024 2.952 -0.864 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.316 1.049 -2.808 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.998 0.698 -1.121 1.00 6.60 H new ATOM 0 HG LEU A 56 6.815 1.347 -3.119 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.384 -1.086 -3.199 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.994 -0.667 -3.831 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.831 -1.358 -2.199 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.316 0.236 -1.487 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.697 0.019 -0.386 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.132 1.656 -0.792 1.00 8.64 H new ATOM 904 N SER A 57 11.018 3.472 -1.768 1.00 8.92 N ATOM 905 CA SER A 57 12.293 3.947 -1.237 1.00 9.00 C ATOM 906 C SER A 57 12.303 5.304 -0.574 1.00 9.44 C ATOM 907 O SER A 57 13.060 5.514 0.401 1.00 10.91 O ATOM 908 CB SER A 57 13.371 4.023 -2.333 1.00 10.32 C ATOM 909 OG SER A 57 13.051 4.797 -3.473 1.00 13.59 O ATOM 0 H SER A 57 10.988 3.397 -2.785 1.00 8.92 H new ATOM 0 HA SER A 57 12.493 3.198 -0.471 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.282 4.426 -1.890 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.598 3.009 -2.661 1.00 10.32 H new ATOM 0 HG SER A 57 12.100 5.034 -3.451 1.00 13.59 H new ATOM 915 N ASP A 58 11.415 6.259 -0.946 1.00 9.11 N ATOM 916 CA ASP A 58 11.204 7.584 -0.376 1.00 7.91 C ATOM 917 C ASP A 58 10.716 7.579 1.101 1.00 9.12 C ATOM 918 O ASP A 58 11.163 8.327 2.003 1.00 8.61 O ATOM 919 CB ASP A 58 10.099 8.334 -1.130 1.00 8.41 C ATOM 920 CG ASP A 58 10.546 8.776 -2.508 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.662 9.303 -2.611 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.756 8.657 -3.485 1.00 11.70 O ATOM 0 H ASP A 58 10.778 6.091 -1.725 1.00 9.11 H new ATOM 0 HA ASP A 58 12.186 8.051 -0.450 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.224 7.691 -1.223 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.794 9.206 -0.552 1.00 8.41 H new ATOM 927 N TYR A 59 9.732 6.668 1.424 1.00 7.97 N ATOM 928 CA TYR A 59 9.321 6.496 2.783 1.00 8.45 C ATOM 929 C TYR A 59 10.103 5.316 3.470 1.00 10.98 C ATOM 930 O TYR A 59 9.754 4.798 4.504 1.00 12.95 O ATOM 931 CB TYR A 59 7.834 6.062 2.737 1.00 7.94 C ATOM 932 CG TYR A 59 6.911 7.208 2.486 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.726 8.156 3.517 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.186 7.252 1.322 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.725 9.118 3.365 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.126 8.187 1.231 1.00 6.52 C ATOM 937 CZ TYR A 59 4.856 9.125 2.214 1.00 6.76 C ATOM 938 OH TYR A 59 3.783 10.004 2.169 1.00 7.63 O ATOM 0 H TYR A 59 9.247 6.077 0.749 1.00 7.97 H new ATOM 0 HA TYR A 59 9.499 7.419 3.334 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.701 5.315 1.955 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.569 5.586 3.681 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.344 8.137 4.402 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.417 6.592 0.499 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.599 9.874 4.126 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.498 8.168 0.353 1.00 6.52 H new ATOM 0 HH TYR A 59 3.792 10.488 1.317 1.00 7.63 H new ATOM 948 N ASN A 60 11.239 4.884 2.883 1.00 12.38 N ATOM 949 CA ASN A 60 12.190 3.967 3.393 1.00 13.94 C ATOM 950 C ASN A 60 11.697 2.553 3.805 1.00 14.16 C ATOM 951 O ASN A 60 11.978 2.069 4.846 1.00 14.26 O ATOM 952 CB ASN A 60 13.154 4.552 4.430 1.00 19.23 C ATOM 953 CG ASN A 60 13.947 5.759 3.865 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.813 6.857 4.408 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.685 5.461 2.786 1.00 24.09 N ATOM 0 H ASN A 60 11.506 5.219 1.957 1.00 12.38 H new ATOM 0 HA ASN A 60 12.755 3.780 2.479 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.593 4.866 5.311 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.851 3.779 4.755 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.221 6.191 2.317 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.710 4.504 2.434 1.00 24.09 H new ATOM 962 N ILE A 61 10.864 1.948 2.883 1.00 11.08 N ATOM 963 CA ILE A 61 10.173 0.715 2.981 1.00 11.78 C ATOM 964 C ILE A 61 11.001 -0.313 2.345 1.00 13.74 C ATOM 965 O ILE A 61 11.126 -0.464 1.123 1.00 14.60 O ATOM 966 CB ILE A 61 8.758 0.859 2.344 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.045 2.094 2.911 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.914 -0.506 2.418 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.750 2.461 2.136 1.00 11.42 C ATOM 0 H ILE A 61 10.679 2.399 1.987 1.00 11.08 H new ATOM 0 HA ILE A 61 10.008 0.418 4.017 1.00 11.78 H new ATOM 0 HB ILE A 61 8.864 1.037 1.274 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.796 1.914 3.957 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.728 2.943 2.887 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.936 -0.354 1.961 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.446 -1.292 1.883 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.786 -0.799 3.460 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.294 3.342 2.587 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.996 2.672 1.095 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.050 1.627 2.182 1.00 11.42 H new ATOM 981 N GLN A 62 11.741 -1.071 3.186 1.00 13.97 N ATOM 982 CA GLN A 62 12.663 -2.066 2.769 1.00 15.52 C ATOM 983 C GLN A 62 12.041 -3.395 2.704 1.00 13.94 C ATOM 984 O GLN A 62 10.932 -3.662 3.134 1.00 12.15 O ATOM 985 CB GLN A 62 13.828 -2.093 3.831 1.00 19.53 C ATOM 986 CG GLN A 62 14.355 -0.705 4.203 1.00 26.38 C ATOM 987 CD GLN A 62 15.462 -0.834 5.263 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.169 -0.703 6.481 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.697 -0.906 4.833 1.00 32.71 N ATOM 0 H GLN A 62 11.686 -0.977 4.200 1.00 13.97 H new ATOM 0 HA GLN A 62 13.025 -1.827 1.769 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.473 -2.591 4.733 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.651 -2.691 3.439 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.744 -0.204 3.317 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.542 -0.088 4.586 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.885 -1.012 3.836 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.471 -0.856 5.495 1.00 32.71 H new ATOM 998 N LYS A 63 12.732 -4.289 2.095 1.00 11.73 N ATOM 999 CA LYS A 63 12.266 -5.671 1.861 1.00 11.97 C ATOM 1000 C LYS A 63 11.687 -6.387 3.122 1.00 10.41 C ATOM 1001 O LYS A 63 12.210 -6.322 4.271 1.00 9.59 O ATOM 1002 CB LYS A 63 13.327 -6.493 1.153 1.00 13.73 C ATOM 1003 CG LYS A 63 14.601 -6.812 1.961 1.00 16.98 C ATOM 1004 CD LYS A 63 15.784 -7.125 1.007 1.00 20.19 C ATOM 1005 CE LYS A 63 17.040 -7.688 1.620 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.833 -9.162 1.725 1.00 25.97 N ATOM 0 H LYS A 63 13.665 -4.108 1.724 1.00 11.73 H new ATOM 0 HA LYS A 63 11.407 -5.585 1.195 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.877 -7.435 0.840 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.621 -5.963 0.247 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.855 -5.966 2.600 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.419 -7.664 2.617 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.432 -7.830 0.254 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.047 -6.205 0.484 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.909 -7.461 1.003 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.223 -7.251 2.601 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.677 -9.602 2.145 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.007 -9.355 2.326 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.671 -9.558 0.777 1.00 25.97 H new ATOM 1020 N GLU A 64 10.556 -7.053 2.927 1.00 10.04 N ATOM 1021 CA GLU A 64 9.906 -7.844 3.921 1.00 10.94 C ATOM 1022 C GLU A 64 9.134 -6.969 4.853 1.00 9.74 C ATOM 1023 O GLU A 64 8.624 -7.526 5.906 1.00 9.42 O ATOM 1024 CB GLU A 64 10.766 -8.895 4.656 1.00 18.31 C ATOM 1025 CG GLU A 64 11.487 -9.914 3.697 1.00 24.16 C ATOM 1026 CD GLU A 64 12.140 -11.034 4.468 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.472 -12.007 4.889 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.387 -10.947 4.726 1.00 32.61 O ATOM 0 H GLU A 64 10.062 -7.046 2.035 1.00 10.04 H new ATOM 0 HA GLU A 64 9.220 -8.480 3.362 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.518 -8.380 5.255 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.132 -9.449 5.348 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.764 -10.328 2.995 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.239 -9.390 3.108 1.00 24.16 H new ATOM 1035 N SER A 65 8.997 -5.656 4.542 1.00 6.85 N ATOM 1036 CA SER A 65 8.155 -4.775 5.282 1.00 6.90 C ATOM 1037 C SER A 65 6.657 -5.093 5.371 1.00 4.72 C ATOM 1038 O SER A 65 6.076 -5.615 4.440 1.00 3.91 O ATOM 1039 CB SER A 65 8.200 -3.217 4.863 1.00 7.28 C ATOM 1040 OG SER A 65 9.539 -2.632 4.956 1.00 10.56 O ATOM 0 H SER A 65 9.482 -5.209 3.764 1.00 6.85 H new ATOM 0 HA SER A 65 8.633 -4.962 6.244 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.835 -3.112 3.841 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.520 -2.656 5.504 1.00 7.28 H new ATOM 0 HG SER A 65 10.112 -3.014 4.259 1.00 10.56 H new ATOM 1046 N THR A 66 6.106 -4.760 6.590 1.00 4.48 N ATOM 1047 CA THR A 66 4.657 -4.883 6.840 1.00 3.80 C ATOM 1048 C THR A 66 3.921 -3.562 6.644 1.00 4.60 C ATOM 1049 O THR A 66 4.153 -2.583 7.323 1.00 5.33 O ATOM 1050 CB THR A 66 4.293 -5.410 8.119 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.811 -6.720 8.236 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.784 -5.532 8.357 1.00 3.40 C ATOM 0 H THR A 66 6.644 -4.414 7.385 1.00 4.48 H new ATOM 0 HA THR A 66 4.349 -5.613 6.091 1.00 3.80 H new ATOM 0 HB THR A 66 4.696 -4.704 8.845 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.569 -7.091 9.110 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.604 -5.940 9.352 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.323 -4.547 8.280 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.350 -6.195 7.609 1.00 3.40 H new ATOM 1060 N LEU A 67 2.999 -3.495 5.593 1.00 4.17 N ATOM 1061 CA LEU A 67 2.128 -2.378 5.238 1.00 3.85 C ATOM 1062 C LEU A 67 0.790 -2.729 5.853 1.00 3.80 C ATOM 1063 O LEU A 67 0.579 -3.864 6.263 1.00 5.54 O ATOM 1064 CB LEU A 67 1.921 -2.040 3.748 1.00 7.18 C ATOM 1065 CG LEU A 67 2.917 -1.030 3.043 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.337 -1.505 3.347 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.635 -0.953 1.539 1.00 11.66 C ATOM 0 H LEU A 67 2.869 -4.285 4.961 1.00 4.17 H new ATOM 0 HA LEU A 67 2.617 -1.476 5.606 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.953 -2.976 3.191 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.914 -1.639 3.639 1.00 7.18 H new ATOM 0 HG LEU A 67 2.786 -0.017 3.424 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.054 -0.832 2.877 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.496 -1.509 4.425 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.475 -2.513 2.956 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.330 -0.254 1.074 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.761 -1.940 1.094 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.613 -0.610 1.378 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.090 -1.704 6.059 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.437 -1.908 6.541 1.00 4.17 C ATOM 1081 C HIS A 68 -2.433 -1.189 5.662 1.00 5.32 C ATOM 1082 O HIS A 68 -2.238 -0.005 5.393 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.663 -1.509 8.032 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.537 -1.889 8.906 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.673 -1.218 8.893 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.321 -2.928 9.768 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.598 -1.933 9.595 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.016 -2.974 10.238 1.00 16.30 N ATOM 0 H HIS A 68 0.141 -0.725 5.888 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.595 -2.985 6.491 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.817 -0.432 8.095 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.574 -1.984 8.396 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.846 -0.326 8.430 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.084 -3.635 10.059 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.652 -1.701 9.633 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.423 -1.882 5.140 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.596 -1.375 4.385 1.00 3.97 C ATOM 1098 C LEU A 69 -5.534 -0.639 5.333 1.00 5.07 C ATOM 1099 O LEU A 69 -5.913 -1.208 6.363 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.308 -2.554 3.706 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.249 -2.144 2.593 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.556 -1.552 1.311 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.182 -3.345 2.119 1.00 9.96 C ATOM 0 H LEU A 69 -3.449 -2.898 5.229 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.273 -0.675 3.615 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.558 -3.235 3.302 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.870 -3.108 4.458 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.833 -1.349 3.056 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.316 -1.290 0.575 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.991 -0.660 1.582 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.881 -2.295 0.887 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.839 -3.002 1.320 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.563 -4.164 1.753 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.784 -3.692 2.959 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.927 0.621 5.007 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.012 1.290 5.747 1.00 6.26 C ATOM 1117 C VAL A 70 -8.034 1.637 4.632 1.00 9.22 C ATOM 1118 O VAL A 70 -7.782 2.436 3.754 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.582 2.467 6.530 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.722 3.383 6.939 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.794 2.001 7.723 1.00 8.54 C ATOM 0 H VAL A 70 -5.517 1.176 4.256 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.428 0.651 6.526 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.953 3.078 5.883 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.327 4.223 7.510 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.227 3.755 6.048 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.432 2.829 7.553 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.473 2.864 8.306 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.418 1.356 8.342 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.919 1.445 7.386 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.183 0.925 4.657 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.183 1.320 3.721 1.00 16.06 C ATOM 1133 C LEU A 71 -10.853 2.660 3.888 1.00 18.09 C ATOM 1134 O LEU A 71 -11.101 3.198 4.971 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.258 0.179 3.659 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.874 -1.170 3.102 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.040 -2.176 3.202 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.293 -1.082 1.661 1.00 19.57 C ATOM 0 H LEU A 71 -9.405 0.142 5.272 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.635 1.468 2.790 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.627 0.022 4.672 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.096 0.550 3.069 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.065 -1.549 3.727 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.728 -3.136 2.792 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.323 -2.302 4.247 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.894 -1.801 2.638 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.034 -2.081 1.311 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.037 -0.646 0.995 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.400 -0.457 1.666 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.181 3.296 2.714 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.962 4.493 2.743 1.00 25.83 C ATOM 1152 C ARG A 72 -13.208 4.099 2.018 1.00 27.74 C ATOM 1153 O ARG A 72 -13.093 3.608 0.911 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.163 5.553 1.989 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.700 6.956 1.821 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.724 7.908 1.258 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.350 9.216 0.989 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.795 10.297 0.400 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.773 10.161 -0.437 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.327 11.498 0.635 1.00 35.02 N ATOM 0 H ARG A 72 -10.907 2.979 1.784 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.195 4.894 3.729 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.196 5.638 2.485 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.975 5.161 0.990 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.576 6.924 1.173 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.034 7.325 2.791 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.894 8.035 1.953 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.308 7.504 0.335 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.321 9.316 1.284 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.400 9.234 -0.640 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.361 10.984 -0.877 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.137 11.586 1.249 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.924 12.328 0.201 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.427 4.314 2.557 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.661 4.240 1.848 1.00 30.76 C ATOM 1176 C LEU A 73 -16.086 5.554 1.280 1.00 32.18 C ATOM 1177 O LEU A 73 -15.794 6.578 1.875 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.843 3.535 2.715 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.334 2.222 3.279 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.493 1.647 4.099 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.876 1.205 2.272 1.00 29.11 C ATOM 0 H LEU A 73 -14.551 4.552 3.541 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.471 3.587 0.996 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -17.159 4.194 3.524 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.716 3.360 2.087 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.435 2.435 3.857 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.192 0.695 4.536 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.757 2.344 4.894 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.356 1.492 3.451 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.534 0.309 2.790 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.704 0.949 1.611 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.057 1.619 1.684 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.893 5.601 0.132 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.167 6.737 -0.666 1.00 35.33 C ATOM 1195 C ARG A 74 -17.996 7.726 0.145 1.00 36.22 C ATOM 1196 O ARG A 74 -18.761 7.367 1.048 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.909 6.279 -1.958 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.111 5.444 -2.925 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.931 6.188 -3.573 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.246 5.160 -4.407 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.334 5.411 -5.372 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.914 6.574 -5.770 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.897 4.313 -6.011 1.00 41.93 N ATOM 0 H ARG A 74 -17.361 4.766 -0.220 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.245 7.237 -0.964 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.791 5.711 -1.663 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.262 7.167 -2.483 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.730 4.567 -2.402 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.775 5.084 -3.711 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.276 7.025 -4.180 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.259 6.598 -2.819 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.486 4.184 -4.235 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.281 7.423 -5.340 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.218 6.638 -6.513 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.256 3.394 -5.750 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.206 4.398 -6.757 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.849 9.000 -0.142 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.425 10.150 0.501 1.00 36.07 C ATOM 1219 C GLY A 75 -17.714 10.701 1.688 1.00 36.16 C ATOM 1220 O GLY A 75 -18.272 11.525 2.439 1.00 36.26 O ATOM 0 H GLY A 75 -17.254 9.282 -0.921 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.507 10.944 -0.241 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.439 9.892 0.806 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.534 10.159 1.999 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.684 10.630 3.028 1.00 36.19 C ATOM 1226 C GLY A 76 -14.272 10.599 2.438 1.00 36.20 C ATOM 1227 O GLY A 76 -13.823 11.651 1.910 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.557 9.568 2.498 1.00 0.00 O ATOM 0 H GLY A 76 -16.155 9.350 1.506 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.960 11.639 3.333 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.753 9.999 3.914 1.00 36.19 H new TER 1232 GLY A 76