USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 129:sc= 0.808 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.714 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.0264 (180deg=-0.0605) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.35 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -1.42! K(o=-1.4!,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= 1.24 (180deg=1.13) 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= 0.0344 USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.312 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= 0.923 (180deg=-1.3!) USER MOD Single : A 29 LYS NZ :NH3+ -106:sc= 0.0686 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= 0.64 K(o=0.64,f=-2.2) 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=-0.013) USER MOD Single : A 59 TYR OH : rot 150:sc= 0.946 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 110:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.850 -4.380 -3.768 1.00 0.78 N ATOM 2 CA MET A 1 12.573 -4.892 -2.407 1.00 0.70 C ATOM 3 C MET A 1 11.175 -5.400 -2.308 1.00 0.62 C ATOM 4 O MET A 1 10.354 -4.841 -3.033 1.00 0.68 O ATOM 5 CB MET A 1 12.756 -3.659 -1.507 1.00 0.75 C ATOM 6 CG MET A 1 12.326 -3.889 -0.056 1.00 0.79 C ATOM 7 SD MET A 1 12.610 -2.461 1.032 1.00 1.10 S ATOM 8 CE MET A 1 11.164 -1.468 0.563 1.00 0.84 C ATOM 0 H1 MET A 1 13.637 -3.701 -3.730 1.00 0.78 H new ATOM 0 H2 MET A 1 13.106 -5.172 -4.392 1.00 0.78 H new ATOM 0 H3 MET A 1 12.002 -3.906 -4.140 1.00 0.78 H new ATOM 0 HA MET A 1 13.223 -5.723 -2.132 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.804 -3.360 -1.523 1.00 0.75 H new ATOM 0 HB3 MET A 1 12.182 -2.830 -1.920 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.266 -4.142 -0.037 1.00 0.79 H new ATOM 0 HG3 MET A 1 12.866 -4.749 0.341 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.934 -0.761 1.360 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.380 -0.922 -0.355 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.309 -2.124 0.402 1.00 0.84 H new ATOM 20 N GLN A 2 10.827 -6.422 -1.506 1.00 0.59 N ATOM 21 CA GLN A 2 9.494 -6.935 -1.433 1.00 0.56 C ATOM 22 C GLN A 2 8.680 -6.264 -0.379 1.00 0.50 C ATOM 23 O GLN A 2 9.232 -5.998 0.687 1.00 0.60 O ATOM 24 CB GLN A 2 9.391 -8.431 -1.095 1.00 0.71 C ATOM 25 CG GLN A 2 9.940 -9.343 -2.195 1.00 1.15 C ATOM 26 CD GLN A 2 10.316 -10.708 -1.637 1.00 1.30 C ATOM 27 OE1 GLN A 2 11.471 -11.120 -1.734 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.383 -11.557 -1.128 1.00 1.72 N ATOM 0 H GLN A 2 11.487 -6.903 -0.894 1.00 0.59 H new ATOM 0 HA GLN A 2 9.126 -6.745 -2.441 1.00 0.56 H new ATOM 0 HB2 GLN A 2 9.933 -8.625 -0.169 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.347 -8.683 -0.912 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.194 -9.461 -2.981 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.814 -8.880 -2.653 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.414 -11.252 -1.032 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.652 -12.499 -0.842 1.00 1.72 H new ATOM 37 N ILE A 3 7.437 -5.809 -0.618 1.00 0.44 N ATOM 38 CA ILE A 3 6.615 -5.318 0.444 1.00 0.42 C ATOM 39 C ILE A 3 5.465 -6.234 0.681 1.00 0.40 C ATOM 40 O ILE A 3 4.991 -6.828 -0.288 1.00 0.50 O ATOM 41 CB ILE A 3 6.287 -3.864 0.281 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.421 -3.646 -0.970 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.556 -2.995 0.284 1.00 0.61 C ATOM 44 CD1 ILE A 3 4.652 -2.331 -0.846 1.00 0.72 C ATOM 0 H ILE A 3 7.003 -5.781 -1.541 1.00 0.44 H new ATOM 0 HA ILE A 3 7.176 -5.333 1.378 1.00 0.42 H new ATOM 0 HB ILE A 3 5.700 -3.543 1.141 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.050 -3.627 -1.860 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.724 -4.475 -1.090 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.280 -1.947 0.164 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.084 -3.125 1.229 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.205 -3.296 -0.539 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.040 -2.182 -1.736 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.010 -2.367 0.034 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.357 -1.505 -0.748 1.00 0.72 H new ATOM 56 N PHE A 4 4.962 -6.343 1.923 1.00 0.37 N ATOM 57 CA PHE A 4 3.842 -7.182 2.217 1.00 0.38 C ATOM 58 C PHE A 4 2.704 -6.261 2.499 1.00 0.39 C ATOM 59 O PHE A 4 2.684 -5.546 3.500 1.00 0.60 O ATOM 60 CB PHE A 4 3.936 -8.106 3.442 1.00 0.45 C ATOM 61 CG PHE A 4 5.302 -8.676 3.618 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.972 -9.497 2.742 1.00 1.30 C ATOM 63 CD2 PHE A 4 5.901 -8.333 4.807 1.00 1.16 C ATOM 64 CE1 PHE A 4 7.197 -10.040 3.046 1.00 1.40 C ATOM 65 CE2 PHE A 4 7.180 -8.786 5.025 1.00 1.23 C ATOM 66 CZ PHE A 4 7.864 -9.620 4.173 1.00 0.85 C ATOM 0 H PHE A 4 5.335 -5.845 2.731 1.00 0.37 H new ATOM 0 HA PHE A 4 3.753 -7.846 1.358 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.660 -7.548 4.337 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.217 -8.918 3.338 1.00 0.45 H new ATOM 0 HD1 PHE A 4 5.522 -9.722 1.786 1.00 1.30 H new ATOM 0 HD2 PHE A 4 5.386 -7.731 5.541 1.00 1.16 H new ATOM 0 HE1 PHE A 4 7.633 -10.791 2.404 1.00 1.40 H new ATOM 0 HE2 PHE A 4 7.681 -8.465 5.926 1.00 1.23 H new ATOM 0 HZ PHE A 4 8.878 -9.931 4.379 1.00 0.85 H new ATOM 76 N VAL A 5 1.662 -6.299 1.650 1.00 0.35 N ATOM 77 CA VAL A 5 0.461 -5.543 1.828 1.00 0.35 C ATOM 78 C VAL A 5 -0.522 -6.508 2.397 1.00 0.35 C ATOM 79 O VAL A 5 -0.710 -7.521 1.725 1.00 0.46 O ATOM 80 CB VAL A 5 -0.080 -4.897 0.588 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.442 -4.223 0.832 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.808 -3.763 0.049 1.00 0.56 C ATOM 0 H VAL A 5 1.655 -6.877 0.809 1.00 0.35 H new ATOM 0 HA VAL A 5 0.667 -4.693 2.478 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.139 -5.725 -0.118 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.794 -3.769 -0.094 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.162 -4.969 1.167 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.335 -3.453 1.596 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.355 -3.342 -0.849 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.904 -2.985 0.806 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.795 -4.157 -0.193 1.00 0.56 H new ATOM 92 N LYS A 6 -1.079 -6.282 3.601 1.00 0.36 N ATOM 93 CA LYS A 6 -2.080 -7.148 4.144 1.00 0.39 C ATOM 94 C LYS A 6 -3.392 -6.473 3.942 1.00 0.46 C ATOM 95 O LYS A 6 -3.476 -5.300 4.304 1.00 0.53 O ATOM 96 CB LYS A 6 -1.775 -7.676 5.556 1.00 0.54 C ATOM 97 CG LYS A 6 -0.440 -8.425 5.532 1.00 1.22 C ATOM 98 CD LYS A 6 -0.115 -9.125 6.853 1.00 1.37 C ATOM 99 CE LYS A 6 1.319 -9.656 6.888 1.00 1.93 C ATOM 100 NZ LYS A 6 1.740 -10.448 8.067 1.00 2.09 N ATOM 0 H LYS A 6 -0.834 -5.495 4.201 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.103 -8.098 3.609 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.730 -6.849 6.265 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.573 -8.339 5.890 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.461 -9.165 4.732 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.359 -7.722 5.295 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.263 -8.428 7.678 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.810 -9.951 7.005 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.468 -10.272 6.001 1.00 1.93 H new ATOM 0 HE3 LYS A 6 1.993 -8.804 6.801 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 2.732 -10.740 7.953 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 1.646 -9.869 8.926 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.138 -11.292 8.151 1.00 2.09 H new ATOM 114 N THR A 7 -4.425 -7.141 3.397 1.00 0.58 N ATOM 115 CA THR A 7 -5.727 -6.567 3.257 1.00 0.78 C ATOM 116 C THR A 7 -6.513 -6.674 4.519 1.00 0.94 C ATOM 117 O THR A 7 -6.126 -7.344 5.476 1.00 0.99 O ATOM 118 CB THR A 7 -6.439 -7.132 2.064 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.736 -8.512 2.211 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.636 -6.899 0.773 1.00 0.92 C ATOM 0 H THR A 7 -4.354 -8.097 3.047 1.00 0.58 H new ATOM 0 HA THR A 7 -5.612 -5.499 3.070 1.00 0.78 H new ATOM 0 HB THR A 7 -7.386 -6.598 1.992 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.200 -8.834 1.410 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.178 -7.320 -0.074 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.497 -5.829 0.619 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.663 -7.383 0.857 1.00 0.92 H new ATOM 128 N LEU A 8 -7.677 -6.002 4.577 1.00 1.17 N ATOM 129 CA LEU A 8 -8.665 -6.124 5.602 1.00 1.39 C ATOM 130 C LEU A 8 -9.511 -7.335 5.405 1.00 1.44 C ATOM 131 O LEU A 8 -10.029 -8.002 6.299 1.00 1.60 O ATOM 132 CB LEU A 8 -9.410 -4.778 5.571 1.00 1.66 C ATOM 133 CG LEU A 8 -10.368 -4.502 6.742 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.521 -4.217 7.994 1.00 2.53 C ATOM 135 CD2 LEU A 8 -11.301 -3.331 6.389 1.00 2.43 C ATOM 0 H LEU A 8 -7.944 -5.329 3.859 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.253 -6.293 6.597 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -8.670 -3.978 5.539 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -9.979 -4.723 4.643 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.005 -5.364 6.941 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.178 -4.018 8.840 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -8.896 -5.082 8.216 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -8.887 -3.349 7.815 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -11.977 -3.140 7.222 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.707 -2.439 6.193 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -11.881 -3.583 5.501 1.00 2.43 H new ATOM 147 N THR A 9 -9.666 -7.769 4.142 1.00 1.41 N ATOM 148 CA THR A 9 -10.494 -8.881 3.790 1.00 1.51 C ATOM 149 C THR A 9 -9.888 -10.200 4.128 1.00 1.37 C ATOM 150 O THR A 9 -10.493 -11.108 4.693 1.00 1.62 O ATOM 151 CB THR A 9 -11.090 -8.890 2.414 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.070 -8.719 1.441 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.033 -7.679 2.320 1.00 2.08 C ATOM 0 H THR A 9 -9.203 -7.335 3.343 1.00 1.41 H new ATOM 0 HA THR A 9 -11.353 -8.715 4.440 1.00 1.51 H new ATOM 0 HB THR A 9 -11.608 -9.833 2.237 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.468 -8.728 0.545 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.489 -7.649 1.330 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.813 -7.766 3.076 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.466 -6.763 2.487 1.00 2.08 H new ATOM 161 N GLY A 10 -8.624 -10.381 3.703 1.00 1.18 N ATOM 162 CA GLY A 10 -7.855 -11.480 4.199 1.00 1.22 C ATOM 163 C GLY A 10 -6.664 -12.018 3.484 1.00 0.99 C ATOM 164 O GLY A 10 -6.376 -13.208 3.609 1.00 1.31 O ATOM 0 H GLY A 10 -8.143 -9.782 3.032 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -7.517 -11.198 5.196 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.547 -12.313 4.321 1.00 1.22 H new ATOM 168 N LYS A 11 -5.866 -11.220 2.753 1.00 0.73 N ATOM 169 CA LYS A 11 -4.774 -11.703 1.968 1.00 0.60 C ATOM 170 C LYS A 11 -3.553 -10.864 2.132 1.00 0.51 C ATOM 171 O LYS A 11 -3.631 -9.679 2.452 1.00 0.63 O ATOM 172 CB LYS A 11 -5.023 -11.830 0.455 1.00 0.75 C ATOM 173 CG LYS A 11 -4.255 -12.900 -0.322 1.00 0.87 C ATOM 174 CD LYS A 11 -4.907 -13.274 -1.655 1.00 1.04 C ATOM 175 CE LYS A 11 -4.724 -12.192 -2.722 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.691 -12.221 -3.842 1.00 1.40 N ATOM 0 H LYS A 11 -5.984 -10.208 2.707 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.643 -12.709 2.366 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.087 -12.013 0.308 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.800 -10.865 -0.000 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.242 -12.544 -0.510 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.170 -13.794 0.295 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.480 -14.210 -2.015 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.971 -13.449 -1.499 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.786 -11.217 -2.238 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.718 -12.280 -3.133 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.952 -11.248 -4.101 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.259 -12.693 -4.662 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.543 -12.742 -3.552 1.00 1.40 H new ATOM 190 N THR A 12 -2.402 -11.553 2.036 1.00 0.49 N ATOM 191 CA THR A 12 -1.098 -10.968 2.019 1.00 0.48 C ATOM 192 C THR A 12 -0.668 -10.845 0.597 1.00 0.52 C ATOM 193 O THR A 12 -0.551 -11.882 -0.052 1.00 0.72 O ATOM 194 CB THR A 12 -0.060 -11.736 2.783 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.383 -11.977 4.145 1.00 0.77 O ATOM 196 CG2 THR A 12 1.223 -10.888 2.762 1.00 0.78 C ATOM 0 H THR A 12 -2.381 -12.570 1.967 1.00 0.49 H new ATOM 0 HA THR A 12 -1.176 -10.002 2.518 1.00 0.48 H new ATOM 0 HB THR A 12 0.033 -12.712 2.307 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.342 -12.482 4.569 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.011 -11.407 3.308 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.539 -10.731 1.731 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.030 -9.924 3.233 1.00 0.78 H new ATOM 204 N ILE A 13 -0.327 -9.646 0.091 1.00 0.48 N ATOM 205 CA ILE A 13 0.004 -9.397 -1.278 1.00 0.55 C ATOM 206 C ILE A 13 1.421 -8.938 -1.227 1.00 0.51 C ATOM 207 O ILE A 13 1.713 -7.865 -0.702 1.00 0.56 O ATOM 208 CB ILE A 13 -0.856 -8.316 -1.863 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.352 -8.585 -1.637 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.465 -8.225 -3.348 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.186 -7.532 -2.364 1.00 1.55 C ATOM 0 H ILE A 13 -0.280 -8.806 0.668 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.147 -10.280 -1.899 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.689 -7.357 -1.372 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.610 -9.580 -2.000 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.577 -8.566 -0.571 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.059 -7.451 -3.834 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.593 -7.976 -3.431 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.651 -9.183 -3.833 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.245 -7.729 -2.199 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.937 -6.542 -1.981 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.972 -7.572 -3.432 1.00 1.55 H new ATOM 223 N THR A 14 2.345 -9.708 -1.829 1.00 0.55 N ATOM 224 CA THR A 14 3.735 -9.376 -1.861 1.00 0.54 C ATOM 225 C THR A 14 4.162 -8.649 -3.090 1.00 0.55 C ATOM 226 O THR A 14 4.257 -9.192 -4.190 1.00 0.72 O ATOM 227 CB THR A 14 4.633 -10.554 -1.625 1.00 0.67 C ATOM 228 OG1 THR A 14 4.427 -11.314 -0.442 1.00 1.08 O ATOM 229 CG2 THR A 14 6.103 -10.136 -1.456 1.00 1.03 C ATOM 0 H THR A 14 2.120 -10.582 -2.305 1.00 0.55 H new ATOM 0 HA THR A 14 3.848 -8.688 -1.023 1.00 0.54 H new ATOM 0 HB THR A 14 4.393 -11.143 -2.510 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.073 -12.050 -0.409 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.716 -11.021 -1.287 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.442 -9.626 -2.358 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.194 -9.464 -0.603 1.00 1.03 H new ATOM 237 N LEU A 15 4.395 -7.329 -2.990 1.00 0.50 N ATOM 238 CA LEU A 15 4.733 -6.562 -4.148 1.00 0.55 C ATOM 239 C LEU A 15 6.208 -6.382 -4.261 1.00 0.52 C ATOM 240 O LEU A 15 6.914 -6.009 -3.327 1.00 0.58 O ATOM 241 CB LEU A 15 4.078 -5.172 -4.109 1.00 0.69 C ATOM 242 CG LEU A 15 2.539 -5.184 -4.087 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.117 -3.706 -4.026 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.050 -5.876 -5.370 1.00 1.55 C ATOM 0 H LEU A 15 4.350 -6.798 -2.120 1.00 0.50 H new ATOM 0 HA LEU A 15 4.362 -7.116 -5.010 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.436 -4.642 -3.226 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.411 -4.605 -4.978 1.00 0.69 H new ATOM 0 HG LEU A 15 2.113 -5.725 -3.242 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.029 -3.639 -4.008 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.524 -3.248 -3.124 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.498 -3.182 -4.903 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.960 -5.898 -5.379 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.409 -5.326 -6.240 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.433 -6.896 -5.402 1.00 1.55 H new ATOM 256 N GLU A 16 6.817 -6.447 -5.458 1.00 0.59 N ATOM 257 CA GLU A 16 8.155 -5.971 -5.625 1.00 0.63 C ATOM 258 C GLU A 16 8.223 -4.540 -6.036 1.00 0.65 C ATOM 259 O GLU A 16 7.762 -4.279 -7.146 1.00 0.81 O ATOM 260 CB GLU A 16 9.000 -6.727 -6.664 1.00 0.76 C ATOM 261 CG GLU A 16 9.373 -8.068 -6.027 1.00 1.41 C ATOM 262 CD GLU A 16 10.320 -8.840 -6.934 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.536 -8.568 -7.123 1.00 1.95 O ATOM 264 OE2 GLU A 16 9.758 -9.835 -7.464 1.00 1.92 O ATOM 0 H GLU A 16 6.388 -6.825 -6.303 1.00 0.59 H new ATOM 0 HA GLU A 16 8.562 -6.133 -4.627 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.438 -6.878 -7.586 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.893 -6.159 -6.925 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.843 -7.900 -5.058 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.473 -8.655 -5.846 1.00 1.41 H new ATOM 271 N VAL A 17 8.787 -3.675 -5.175 1.00 0.61 N ATOM 272 CA VAL A 17 8.888 -2.278 -5.462 1.00 0.63 C ATOM 273 C VAL A 17 10.278 -1.847 -5.140 1.00 0.65 C ATOM 274 O VAL A 17 10.946 -2.489 -4.331 1.00 0.76 O ATOM 275 CB VAL A 17 8.000 -1.402 -4.628 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.560 -1.731 -5.055 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.090 -1.674 -3.117 1.00 0.92 C ATOM 0 H VAL A 17 9.176 -3.946 -4.272 1.00 0.61 H new ATOM 0 HA VAL A 17 8.598 -2.166 -6.507 1.00 0.63 H new ATOM 0 HB VAL A 17 8.304 -0.367 -4.786 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.862 -1.122 -4.480 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.438 -1.518 -6.117 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.358 -2.786 -4.871 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.418 -1.000 -2.585 1.00 0.92 H new ATOM 0 HG22 VAL A 17 7.803 -2.706 -2.915 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.113 -1.509 -2.778 1.00 0.92 H new ATOM 287 N GLU A 18 10.803 -0.798 -5.799 1.00 0.68 N ATOM 288 CA GLU A 18 11.966 -0.142 -5.287 1.00 0.74 C ATOM 289 C GLU A 18 11.587 0.977 -4.379 1.00 0.71 C ATOM 290 O GLU A 18 10.490 1.492 -4.591 1.00 0.74 O ATOM 291 CB GLU A 18 12.909 0.429 -6.360 1.00 0.88 C ATOM 292 CG GLU A 18 13.412 -0.656 -7.312 1.00 1.16 C ATOM 293 CD GLU A 18 14.257 -1.733 -6.646 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.212 -1.331 -5.928 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.080 -2.963 -6.853 1.00 2.35 O ATOM 0 H GLU A 18 10.432 -0.411 -6.667 1.00 0.68 H new ATOM 0 HA GLU A 18 12.505 -0.928 -4.758 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.388 1.198 -6.929 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.759 0.911 -5.877 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.554 -1.128 -7.791 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.999 -0.186 -8.101 1.00 1.16 H new ATOM 302 N PRO A 19 12.308 1.452 -3.408 1.00 0.74 N ATOM 303 CA PRO A 19 11.828 2.414 -2.458 1.00 0.74 C ATOM 304 C PRO A 19 11.896 3.844 -2.869 1.00 0.70 C ATOM 305 O PRO A 19 11.594 4.794 -2.148 1.00 0.74 O ATOM 306 CB PRO A 19 12.732 2.229 -1.242 1.00 0.86 C ATOM 307 CG PRO A 19 14.046 1.740 -1.871 1.00 0.95 C ATOM 308 CD PRO A 19 13.561 0.829 -3.009 1.00 0.82 C ATOM 0 HA PRO A 19 10.765 2.230 -2.303 1.00 0.74 H new ATOM 0 HB2 PRO A 19 12.868 3.161 -0.693 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.323 1.502 -0.540 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.648 2.568 -2.245 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.661 1.197 -1.153 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.275 0.794 -3.832 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.413 -0.197 -2.671 1.00 0.82 H new ATOM 316 N SER A 20 12.392 4.019 -4.107 1.00 0.70 N ATOM 317 CA SER A 20 12.513 5.216 -4.880 1.00 0.74 C ATOM 318 C SER A 20 11.257 5.497 -5.632 1.00 0.71 C ATOM 319 O SER A 20 11.091 6.654 -6.011 1.00 0.80 O ATOM 320 CB SER A 20 13.654 5.148 -5.910 1.00 0.89 C ATOM 321 OG SER A 20 13.605 3.908 -6.601 1.00 1.45 O ATOM 0 H SER A 20 12.752 3.219 -4.627 1.00 0.70 H new ATOM 0 HA SER A 20 12.724 6.005 -4.158 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.567 5.973 -6.617 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.616 5.258 -5.409 1.00 0.89 H new ATOM 0 HG SER A 20 14.332 3.870 -7.257 1.00 1.45 H new ATOM 327 N ASP A 21 10.360 4.500 -5.736 1.00 0.70 N ATOM 328 CA ASP A 21 9.079 4.555 -6.368 1.00 0.73 C ATOM 329 C ASP A 21 8.034 5.139 -5.481 1.00 0.64 C ATOM 330 O ASP A 21 8.259 5.328 -4.287 1.00 0.66 O ATOM 331 CB ASP A 21 8.514 3.287 -7.030 1.00 0.87 C ATOM 332 CG ASP A 21 9.217 3.059 -8.361 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.017 3.889 -9.287 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.810 1.972 -8.592 1.00 1.50 O ATOM 0 H ASP A 21 10.549 3.578 -5.344 1.00 0.70 H new ATOM 0 HA ASP A 21 9.318 5.207 -7.208 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.659 2.426 -6.377 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.440 3.392 -7.186 1.00 0.87 H new ATOM 339 N THR A 22 6.937 5.708 -6.013 1.00 0.63 N ATOM 340 CA THR A 22 5.832 6.212 -5.257 1.00 0.58 C ATOM 341 C THR A 22 4.865 5.208 -4.732 1.00 0.53 C ATOM 342 O THR A 22 4.818 4.008 -4.999 1.00 0.58 O ATOM 343 CB THR A 22 5.043 7.199 -6.064 1.00 0.63 C ATOM 344 OG1 THR A 22 4.444 6.663 -7.235 1.00 0.70 O ATOM 345 CG2 THR A 22 6.085 8.217 -6.558 1.00 0.75 C ATOM 0 H THR A 22 6.815 5.822 -7.019 1.00 0.63 H new ATOM 0 HA THR A 22 6.321 6.658 -4.391 1.00 0.58 H new ATOM 0 HB THR A 22 4.238 7.584 -5.438 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.229 7.391 -7.855 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.591 8.980 -7.160 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.568 8.687 -5.702 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.835 7.706 -7.162 1.00 0.75 H new ATOM 353 N ILE A 23 3.925 5.635 -3.871 1.00 0.51 N ATOM 354 CA ILE A 23 2.824 4.917 -3.308 1.00 0.48 C ATOM 355 C ILE A 23 1.733 4.720 -4.304 1.00 0.48 C ATOM 356 O ILE A 23 1.047 3.702 -4.215 1.00 0.51 O ATOM 357 CB ILE A 23 2.202 5.647 -2.156 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.287 6.076 -1.154 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.191 4.690 -1.504 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.325 5.017 -0.784 1.00 0.73 C ATOM 0 H ILE A 23 3.942 6.597 -3.532 1.00 0.51 H new ATOM 0 HA ILE A 23 3.243 3.965 -2.982 1.00 0.48 H new ATOM 0 HB ILE A 23 1.697 6.553 -2.491 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.811 6.939 -1.566 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.796 6.408 -0.239 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.715 5.185 -0.658 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.432 4.409 -2.235 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.708 3.796 -1.157 1.00 0.61 H new ATOM 0 HD11 ILE A 23 5.036 5.437 -0.072 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.825 4.159 -0.334 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.856 4.699 -1.681 1.00 0.73 H new ATOM 372 N GLU A 24 1.602 5.623 -5.292 1.00 0.50 N ATOM 373 CA GLU A 24 0.825 5.452 -6.479 1.00 0.53 C ATOM 374 C GLU A 24 1.251 4.197 -7.160 1.00 0.50 C ATOM 375 O GLU A 24 0.369 3.460 -7.600 1.00 0.55 O ATOM 376 CB GLU A 24 1.016 6.646 -7.430 1.00 0.64 C ATOM 377 CG GLU A 24 0.404 6.500 -8.825 1.00 0.95 C ATOM 378 CD GLU A 24 0.103 7.866 -9.425 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.066 8.380 -10.055 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.053 8.363 -9.370 1.00 1.56 O ATOM 0 H GLU A 24 2.069 6.529 -5.258 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.229 5.393 -6.209 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.589 7.531 -6.959 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.085 6.828 -7.542 1.00 0.64 H new ATOM 0 HG2 GLU A 24 1.090 5.955 -9.474 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.513 5.913 -8.766 1.00 0.95 H new ATOM 387 N ASN A 25 2.555 3.880 -7.239 1.00 0.51 N ATOM 388 CA ASN A 25 3.076 2.665 -7.785 1.00 0.52 C ATOM 389 C ASN A 25 2.611 1.445 -7.066 1.00 0.47 C ATOM 390 O ASN A 25 2.187 0.430 -7.618 1.00 0.53 O ATOM 391 CB ASN A 25 4.590 2.724 -8.045 1.00 0.64 C ATOM 392 CG ASN A 25 5.091 1.506 -8.808 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.739 0.614 -8.262 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.770 1.494 -10.130 1.00 1.57 N ATOM 0 H ASN A 25 3.287 4.506 -6.903 1.00 0.51 H new ATOM 0 HA ASN A 25 2.635 2.566 -8.777 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.825 3.626 -8.610 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.118 2.797 -7.094 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.069 0.718 -10.720 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.230 2.261 -10.531 1.00 1.57 H new ATOM 401 N VAL A 26 2.655 1.571 -5.729 1.00 0.45 N ATOM 402 CA VAL A 26 2.122 0.528 -4.907 1.00 0.44 C ATOM 403 C VAL A 26 0.673 0.308 -5.174 1.00 0.40 C ATOM 404 O VAL A 26 0.279 -0.820 -5.467 1.00 0.44 O ATOM 405 CB VAL A 26 2.357 0.805 -3.451 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.803 -0.337 -2.585 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.850 1.037 -3.166 1.00 0.62 C ATOM 0 H VAL A 26 3.046 2.368 -5.227 1.00 0.45 H new ATOM 0 HA VAL A 26 2.653 -0.388 -5.166 1.00 0.44 H new ATOM 0 HB VAL A 26 1.823 1.719 -3.191 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.984 -0.116 -1.533 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.731 -0.436 -2.756 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.301 -1.270 -2.851 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.991 1.235 -2.104 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.416 0.149 -3.448 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.202 1.891 -3.744 1.00 0.62 H new ATOM 417 N LYS A 27 -0.202 1.330 -5.187 1.00 0.40 N ATOM 418 CA LYS A 27 -1.572 1.148 -5.553 1.00 0.41 C ATOM 419 C LYS A 27 -1.856 0.730 -6.955 1.00 0.38 C ATOM 420 O LYS A 27 -2.658 -0.181 -7.152 1.00 0.42 O ATOM 421 CB LYS A 27 -2.295 2.486 -5.321 1.00 0.51 C ATOM 422 CG LYS A 27 -2.200 3.002 -3.884 1.00 0.76 C ATOM 423 CD LYS A 27 -3.101 4.236 -3.794 1.00 0.82 C ATOM 424 CE LYS A 27 -3.263 4.897 -2.424 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.100 6.114 -2.522 1.00 1.11 N ATOM 0 H LYS A 27 0.043 2.289 -4.942 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.917 0.319 -4.935 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.877 3.235 -5.994 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.346 2.370 -5.586 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.521 2.237 -3.177 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.170 3.256 -3.632 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.714 4.985 -4.485 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.092 3.955 -4.151 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.718 4.193 -1.727 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.283 5.156 -2.022 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.723 6.846 -1.887 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.089 6.465 -3.501 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.077 5.886 -2.247 1.00 1.11 H new ATOM 439 N ALA A 28 -1.167 1.287 -7.966 1.00 0.39 N ATOM 440 CA ALA A 28 -1.135 0.857 -9.330 1.00 0.39 C ATOM 441 C ALA A 28 -0.882 -0.598 -9.537 1.00 0.36 C ATOM 442 O ALA A 28 -1.447 -1.250 -10.415 1.00 0.42 O ATOM 443 CB ALA A 28 -0.112 1.693 -10.116 1.00 0.51 C ATOM 0 H ALA A 28 -0.582 2.109 -7.815 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.145 1.020 -9.707 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.092 1.361 -11.154 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.395 2.745 -10.077 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.877 1.566 -9.675 1.00 0.51 H new ATOM 449 N LYS A 29 0.105 -1.154 -8.812 1.00 0.39 N ATOM 450 CA LYS A 29 0.346 -2.562 -8.749 1.00 0.43 C ATOM 451 C LYS A 29 -0.746 -3.390 -8.167 1.00 0.44 C ATOM 452 O LYS A 29 -1.067 -4.439 -8.722 1.00 0.54 O ATOM 453 CB LYS A 29 1.629 -2.818 -7.940 1.00 0.54 C ATOM 454 CG LYS A 29 2.850 -2.623 -8.841 1.00 0.65 C ATOM 455 CD LYS A 29 4.170 -2.667 -8.071 1.00 1.08 C ATOM 456 CE LYS A 29 5.490 -2.762 -8.841 1.00 1.24 C ATOM 457 NZ LYS A 29 5.609 -4.132 -9.386 1.00 1.44 N ATOM 0 H LYS A 29 0.757 -0.605 -8.251 1.00 0.39 H new ATOM 0 HA LYS A 29 0.427 -2.875 -9.790 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.678 -2.136 -7.091 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.620 -3.830 -7.536 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.857 -3.397 -9.608 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.767 -1.666 -9.355 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.217 -1.771 -7.452 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.125 -3.520 -7.394 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.514 -2.029 -9.647 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.331 -2.540 -8.184 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.314 -4.664 -8.837 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.688 -4.612 -9.324 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.908 -4.085 -10.381 1.00 1.44 H new ATOM 471 N ILE A 30 -1.418 -2.919 -7.099 1.00 0.41 N ATOM 472 CA ILE A 30 -2.573 -3.526 -6.517 1.00 0.44 C ATOM 473 C ILE A 30 -3.735 -3.556 -7.450 1.00 0.45 C ATOM 474 O ILE A 30 -4.521 -4.502 -7.448 1.00 0.56 O ATOM 475 CB ILE A 30 -2.842 -2.987 -5.143 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.626 -3.185 -4.223 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.121 -3.632 -4.583 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.850 -2.851 -2.749 1.00 1.32 C ATOM 0 H ILE A 30 -1.137 -2.066 -6.616 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.365 -4.583 -6.354 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.006 -1.911 -5.198 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.303 -4.224 -4.296 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.807 -2.570 -4.596 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.318 -3.242 -3.585 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.962 -3.399 -5.236 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.991 -4.713 -4.531 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.929 -3.026 -2.192 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.139 -1.804 -2.653 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.642 -3.484 -2.349 1.00 1.32 H new ATOM 490 N GLN A 31 -3.742 -2.603 -8.399 1.00 0.41 N ATOM 491 CA GLN A 31 -4.714 -2.553 -9.448 1.00 0.48 C ATOM 492 C GLN A 31 -4.438 -3.538 -10.531 1.00 0.52 C ATOM 493 O GLN A 31 -5.350 -4.178 -11.054 1.00 0.66 O ATOM 494 CB GLN A 31 -4.734 -1.161 -10.102 1.00 0.52 C ATOM 495 CG GLN A 31 -5.685 -0.861 -11.263 1.00 0.70 C ATOM 496 CD GLN A 31 -5.682 0.615 -11.636 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.635 1.260 -11.655 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.826 1.204 -12.076 1.00 1.43 N ATOM 0 H GLN A 31 -3.056 -1.849 -8.439 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.669 -2.787 -8.978 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.950 -0.439 -9.315 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.723 -0.956 -10.454 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.397 -1.455 -12.130 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.696 -1.164 -10.991 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.703 0.684 -12.067 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.807 2.166 -12.415 1.00 1.43 H new ATOM 507 N ASP A 32 -3.141 -3.757 -10.814 1.00 0.50 N ATOM 508 CA ASP A 32 -2.678 -4.832 -11.635 1.00 0.60 C ATOM 509 C ASP A 32 -3.032 -6.178 -11.102 1.00 0.65 C ATOM 510 O ASP A 32 -3.365 -7.119 -11.820 1.00 0.81 O ATOM 511 CB ASP A 32 -1.170 -4.594 -11.824 1.00 0.67 C ATOM 512 CG ASP A 32 -0.416 -4.931 -13.103 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.324 -4.073 -14.021 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.136 -6.057 -13.213 1.00 1.51 O ATOM 0 H ASP A 32 -2.390 -3.166 -10.459 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.179 -4.836 -12.603 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.002 -3.533 -11.641 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.671 -5.139 -11.022 1.00 0.67 H new ATOM 519 N LYS A 33 -2.813 -6.265 -9.778 1.00 0.62 N ATOM 520 CA LYS A 33 -3.004 -7.462 -9.021 1.00 0.73 C ATOM 521 C LYS A 33 -4.384 -7.936 -8.722 1.00 0.69 C ATOM 522 O LYS A 33 -4.836 -8.939 -9.272 1.00 0.83 O ATOM 523 CB LYS A 33 -2.246 -7.283 -7.695 1.00 0.85 C ATOM 524 CG LYS A 33 -2.171 -8.531 -6.812 1.00 1.31 C ATOM 525 CD LYS A 33 -1.297 -9.597 -7.475 1.00 1.71 C ATOM 526 CE LYS A 33 -1.002 -10.899 -6.729 1.00 2.26 C ATOM 527 NZ LYS A 33 -2.189 -11.737 -6.448 1.00 2.62 N ATOM 0 H LYS A 33 -2.493 -5.476 -9.216 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.633 -8.247 -9.680 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.231 -6.953 -7.917 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.723 -6.484 -7.127 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.762 -8.270 -5.836 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -3.173 -8.926 -6.642 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.767 -9.862 -8.422 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.340 -9.133 -7.713 1.00 1.71 H new ATOM 0 HE2 LYS A 33 -0.292 -11.484 -7.314 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -0.514 -10.658 -5.785 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 -1.895 -12.596 -5.941 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -2.861 -11.202 -5.862 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 -2.646 -12.002 -7.343 1.00 2.62 H new ATOM 541 N GLU A 34 -5.123 -7.165 -7.904 1.00 0.63 N ATOM 542 CA GLU A 34 -6.424 -7.427 -7.373 1.00 0.67 C ATOM 543 C GLU A 34 -7.469 -6.792 -8.225 1.00 0.69 C ATOM 544 O GLU A 34 -8.423 -7.485 -8.576 1.00 0.95 O ATOM 545 CB GLU A 34 -6.614 -6.765 -5.997 1.00 0.73 C ATOM 546 CG GLU A 34 -5.755 -7.359 -4.880 1.00 0.83 C ATOM 547 CD GLU A 34 -6.235 -8.736 -4.441 1.00 0.95 C ATOM 548 OE1 GLU A 34 -5.888 -9.791 -5.034 1.00 1.37 O ATOM 549 OE2 GLU A 34 -7.051 -8.789 -3.483 1.00 1.48 O ATOM 0 H GLU A 34 -4.769 -6.264 -7.583 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.513 -8.512 -7.322 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.388 -5.702 -6.085 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.663 -6.845 -5.712 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.722 -7.430 -5.220 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.763 -6.685 -4.023 1.00 0.83 H new ATOM 556 N GLY A 35 -7.245 -5.504 -8.538 1.00 0.63 N ATOM 557 CA GLY A 35 -8.103 -4.833 -9.464 1.00 0.68 C ATOM 558 C GLY A 35 -8.689 -3.534 -9.028 1.00 0.76 C ATOM 559 O GLY A 35 -9.329 -2.780 -9.759 1.00 1.12 O ATOM 0 H GLY A 35 -6.487 -4.937 -8.159 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.541 -4.659 -10.381 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.922 -5.506 -9.715 1.00 0.68 H new ATOM 563 N ILE A 36 -8.540 -3.223 -7.728 1.00 0.70 N ATOM 564 CA ILE A 36 -9.132 -2.104 -7.062 1.00 0.76 C ATOM 565 C ILE A 36 -8.459 -0.854 -7.513 1.00 0.71 C ATOM 566 O ILE A 36 -7.235 -0.739 -7.551 1.00 0.73 O ATOM 567 CB ILE A 36 -8.986 -2.205 -5.573 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.315 -3.601 -5.015 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.689 -1.035 -4.866 1.00 1.55 C ATOM 570 CD1 ILE A 36 -10.713 -4.036 -5.454 1.00 1.16 C ATOM 0 H ILE A 36 -7.969 -3.790 -7.102 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.193 -2.092 -7.310 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.927 -2.097 -5.338 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -8.576 -4.322 -5.365 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.257 -3.587 -3.927 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.566 -1.135 -3.788 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.249 -0.094 -5.196 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.751 -1.046 -5.113 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -10.930 -5.025 -5.051 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -11.449 -3.323 -5.082 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -10.758 -4.070 -6.543 1.00 1.16 H new ATOM 582 N PRO A 37 -9.167 0.174 -7.877 1.00 0.75 N ATOM 583 CA PRO A 37 -8.498 1.376 -8.283 1.00 0.79 C ATOM 584 C PRO A 37 -7.778 2.098 -7.195 1.00 0.75 C ATOM 585 O PRO A 37 -8.265 1.993 -6.071 1.00 0.75 O ATOM 586 CB PRO A 37 -9.628 2.215 -8.873 1.00 0.95 C ATOM 587 CG PRO A 37 -10.844 1.888 -7.990 1.00 1.02 C ATOM 588 CD PRO A 37 -10.609 0.373 -7.876 1.00 0.85 C ATOM 0 HA PRO A 37 -7.690 1.157 -8.981 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.390 3.278 -8.845 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.813 1.957 -9.916 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -10.822 2.398 -7.027 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.794 2.139 -8.461 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.054 -0.020 -6.962 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.073 -0.155 -8.709 1.00 0.85 H new ATOM 596 N PRO A 38 -6.729 2.846 -7.368 1.00 0.81 N ATOM 597 CA PRO A 38 -5.931 3.452 -6.343 1.00 0.85 C ATOM 598 C PRO A 38 -6.696 4.435 -5.524 1.00 0.89 C ATOM 599 O PRO A 38 -6.375 4.549 -4.343 1.00 0.99 O ATOM 600 CB PRO A 38 -4.828 4.133 -7.150 1.00 1.01 C ATOM 601 CG PRO A 38 -4.510 3.135 -8.276 1.00 1.25 C ATOM 602 CD PRO A 38 -5.938 2.653 -8.574 1.00 0.98 C ATOM 0 HA PRO A 38 -5.565 2.732 -5.611 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.161 5.091 -7.550 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.950 4.332 -6.535 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.036 3.607 -9.137 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.852 2.329 -7.952 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.365 3.213 -9.406 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.934 1.603 -8.865 1.00 0.98 H new ATOM 610 N ASP A 39 -7.766 5.034 -6.076 1.00 0.96 N ATOM 611 CA ASP A 39 -8.649 6.010 -5.518 1.00 1.11 C ATOM 612 C ASP A 39 -9.306 5.418 -4.318 1.00 1.00 C ATOM 613 O ASP A 39 -9.363 6.068 -3.275 1.00 1.14 O ATOM 614 CB ASP A 39 -9.744 6.547 -6.454 1.00 1.39 C ATOM 615 CG ASP A 39 -10.326 7.852 -5.928 1.00 1.73 C ATOM 616 OD1 ASP A 39 -11.283 7.802 -5.111 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.711 8.847 -6.397 1.00 2.25 O ATOM 0 H ASP A 39 -8.042 4.803 -7.030 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.019 6.870 -5.290 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.330 6.706 -7.450 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.537 5.806 -6.553 1.00 1.39 H new ATOM 622 N GLN A 40 -9.732 4.146 -4.418 1.00 0.87 N ATOM 623 CA GLN A 40 -10.408 3.538 -3.315 1.00 0.84 C ATOM 624 C GLN A 40 -9.572 3.042 -2.185 1.00 0.67 C ATOM 625 O GLN A 40 -10.048 2.906 -1.059 1.00 0.80 O ATOM 626 CB GLN A 40 -11.152 2.317 -3.883 1.00 0.95 C ATOM 627 CG GLN A 40 -12.534 2.095 -3.265 1.00 1.32 C ATOM 628 CD GLN A 40 -13.238 0.836 -3.750 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.367 -0.105 -2.968 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.737 0.903 -5.013 1.00 2.02 N ATOM 0 H GLN A 40 -9.613 3.552 -5.239 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.026 4.326 -2.885 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.261 2.439 -4.961 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.545 1.426 -3.723 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.431 2.046 -2.181 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.162 2.958 -3.487 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.573 1.733 -5.583 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.276 0.123 -5.391 1.00 2.02 H new ATOM 639 N GLN A 41 -8.294 2.782 -2.514 1.00 0.56 N ATOM 640 CA GLN A 41 -7.365 2.102 -1.665 1.00 0.51 C ATOM 641 C GLN A 41 -6.711 3.069 -0.738 1.00 0.49 C ATOM 642 O GLN A 41 -6.208 4.126 -1.113 1.00 0.65 O ATOM 643 CB GLN A 41 -6.152 1.531 -2.420 1.00 0.67 C ATOM 644 CG GLN A 41 -6.510 0.460 -3.454 1.00 0.69 C ATOM 645 CD GLN A 41 -5.246 0.068 -4.206 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.168 -0.112 -3.641 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.402 -0.143 -5.541 1.00 0.61 N ATOM 0 H GLN A 41 -7.891 3.057 -3.410 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.961 1.325 -1.188 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.633 2.347 -2.922 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.455 1.106 -1.698 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.943 -0.411 -2.962 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.260 0.840 -4.148 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.309 0.015 -5.980 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.612 -0.460 -6.103 1.00 0.61 H new ATOM 656 N ARG A 42 -6.709 2.777 0.574 1.00 0.47 N ATOM 657 CA ARG A 42 -5.993 3.556 1.537 1.00 0.55 C ATOM 658 C ARG A 42 -4.924 2.732 2.170 1.00 0.46 C ATOM 659 O ARG A 42 -5.117 1.762 2.901 1.00 0.52 O ATOM 660 CB ARG A 42 -7.020 4.020 2.584 1.00 0.73 C ATOM 661 CG ARG A 42 -8.015 5.097 2.146 1.00 1.04 C ATOM 662 CD ARG A 42 -8.879 5.473 3.352 1.00 1.28 C ATOM 663 NE ARG A 42 -9.487 6.776 2.960 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.365 7.403 3.797 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.785 6.891 4.989 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.650 8.728 3.632 1.00 2.78 N ATOM 0 H ARG A 42 -7.213 1.986 0.974 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.507 4.413 1.071 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.586 3.149 2.914 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.476 4.393 3.451 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.486 5.973 1.771 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.639 4.729 1.332 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.641 4.719 3.549 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.281 5.567 4.259 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.247 7.201 2.064 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.440 5.984 5.304 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.444 7.415 5.565 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.206 9.255 2.880 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.307 9.191 4.261 1.00 2.78 H new ATOM 680 N LEU A 43 -3.629 3.069 2.026 1.00 0.46 N ATOM 681 CA LEU A 43 -2.538 2.352 2.610 1.00 0.42 C ATOM 682 C LEU A 43 -2.209 3.067 3.875 1.00 0.43 C ATOM 683 O LEU A 43 -1.843 4.237 3.981 1.00 0.55 O ATOM 684 CB LEU A 43 -1.374 2.349 1.605 1.00 0.55 C ATOM 685 CG LEU A 43 -1.715 1.464 0.394 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.712 1.725 -0.743 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.733 -0.053 0.649 1.00 1.12 C ATOM 0 H LEU A 43 -3.330 3.876 1.479 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.767 1.311 2.836 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.168 3.367 1.274 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.468 1.982 2.088 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.736 1.750 0.141 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.959 1.095 -1.598 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.761 2.773 -1.038 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.296 1.492 -0.400 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.985 -0.574 -0.275 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.750 -0.376 0.991 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.477 -0.285 1.411 1.00 1.12 H new ATOM 699 N ILE A 44 -2.161 2.261 4.950 1.00 0.42 N ATOM 700 CA ILE A 44 -1.847 2.634 6.295 1.00 0.46 C ATOM 701 C ILE A 44 -0.484 2.067 6.493 1.00 0.42 C ATOM 702 O ILE A 44 -0.112 1.041 5.929 1.00 0.53 O ATOM 703 CB ILE A 44 -2.719 2.145 7.412 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.220 2.268 7.101 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.350 2.855 8.727 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.674 3.666 6.684 1.00 1.27 C ATOM 0 H ILE A 44 -2.359 1.264 4.870 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.974 3.714 6.364 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.529 1.078 7.527 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.471 1.567 6.305 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.786 1.965 7.982 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.991 2.490 9.530 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.308 2.648 8.972 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.489 3.930 8.612 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.746 3.656 6.485 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.460 4.372 7.486 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.140 3.968 5.783 1.00 1.27 H new ATOM 718 N PHE A 45 0.394 2.802 7.201 1.00 0.42 N ATOM 719 CA PHE A 45 1.725 2.424 7.561 1.00 0.46 C ATOM 720 C PHE A 45 1.981 2.895 8.952 1.00 0.68 C ATOM 721 O PHE A 45 2.149 4.102 9.110 1.00 1.50 O ATOM 722 CB PHE A 45 2.838 2.729 6.544 1.00 0.56 C ATOM 723 CG PHE A 45 4.164 2.144 6.889 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.391 0.816 7.164 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.229 3.012 6.851 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.704 0.408 7.174 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.533 2.693 7.150 1.00 1.33 C ATOM 728 CZ PHE A 45 6.722 1.332 7.178 1.00 1.02 C ATOM 0 H PHE A 45 0.153 3.731 7.547 1.00 0.42 H new ATOM 0 HA PHE A 45 1.775 1.336 7.533 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.533 2.355 5.567 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.944 3.810 6.453 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.581 0.130 7.362 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.024 4.032 6.561 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.937 -0.646 7.179 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.310 3.419 7.339 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.737 0.964 7.205 1.00 1.02 H new ATOM 738 N ALA A 46 2.081 2.020 9.970 1.00 0.81 N ATOM 739 CA ALA A 46 2.167 2.315 11.366 1.00 0.96 C ATOM 740 C ALA A 46 0.927 2.963 11.879 1.00 0.97 C ATOM 741 O ALA A 46 0.162 2.340 12.613 1.00 1.21 O ATOM 742 CB ALA A 46 3.464 2.950 11.895 1.00 1.20 C ATOM 0 H ALA A 46 2.103 1.015 9.797 1.00 0.81 H new ATOM 0 HA ALA A 46 2.243 1.323 11.812 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.377 3.114 12.969 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.303 2.283 11.696 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.632 3.904 11.395 1.00 1.20 H new ATOM 748 N GLY A 47 0.767 4.258 11.551 1.00 0.99 N ATOM 749 CA GLY A 47 -0.368 5.038 11.931 1.00 1.10 C ATOM 750 C GLY A 47 -0.905 5.921 10.856 1.00 1.03 C ATOM 751 O GLY A 47 -2.112 6.153 10.802 1.00 1.30 O ATOM 0 H GLY A 47 1.451 4.779 11.003 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.160 4.366 12.260 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.097 5.655 12.788 1.00 1.10 H new ATOM 755 N LYS A 48 -0.012 6.465 10.010 1.00 0.98 N ATOM 756 CA LYS A 48 -0.498 7.382 9.026 1.00 1.05 C ATOM 757 C LYS A 48 -0.923 6.789 7.726 1.00 0.84 C ATOM 758 O LYS A 48 -0.381 5.789 7.260 1.00 0.81 O ATOM 759 CB LYS A 48 0.566 8.468 8.797 1.00 1.42 C ATOM 760 CG LYS A 48 1.945 7.953 8.378 1.00 1.61 C ATOM 761 CD LYS A 48 3.023 9.037 8.340 1.00 1.87 C ATOM 762 CE LYS A 48 3.486 9.562 9.700 1.00 2.22 C ATOM 763 NZ LYS A 48 4.671 10.445 9.605 1.00 2.55 N ATOM 0 H LYS A 48 0.992 6.285 10.002 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.420 7.793 9.437 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.204 9.153 8.030 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.675 9.046 9.715 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.255 7.169 9.069 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.868 7.496 7.392 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.890 8.643 7.809 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.647 9.877 7.756 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.669 10.109 10.170 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.719 8.718 10.349 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.939 10.770 10.556 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.463 9.919 9.183 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.445 11.267 9.009 1.00 2.55 H new ATOM 777 N GLN A 49 -1.891 7.513 7.137 1.00 0.84 N ATOM 778 CA GLN A 49 -2.334 7.152 5.826 1.00 0.80 C ATOM 779 C GLN A 49 -1.474 7.739 4.760 1.00 0.72 C ATOM 780 O GLN A 49 -1.359 8.963 4.795 1.00 0.83 O ATOM 781 CB GLN A 49 -3.765 7.711 5.753 1.00 1.03 C ATOM 782 CG GLN A 49 -4.542 7.277 4.509 1.00 1.67 C ATOM 783 CD GLN A 49 -5.952 7.833 4.653 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.711 7.446 5.539 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.340 8.830 3.813 1.00 2.48 N ATOM 0 H GLN A 49 -2.354 8.322 7.551 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.288 6.075 5.662 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.313 7.393 6.640 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.720 8.800 5.779 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.067 7.658 3.605 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.562 6.190 4.425 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.710 9.151 3.078 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.261 9.256 3.918 1.00 2.48 H new ATOM 794 N LEU A 50 -0.936 6.967 3.799 1.00 0.69 N ATOM 795 CA LEU A 50 0.076 7.368 2.873 1.00 0.66 C ATOM 796 C LEU A 50 -0.479 8.119 1.712 1.00 0.72 C ATOM 797 O LEU A 50 -1.567 7.798 1.236 1.00 0.90 O ATOM 798 CB LEU A 50 0.836 6.158 2.305 1.00 0.65 C ATOM 799 CG LEU A 50 1.404 5.136 3.304 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.198 4.071 2.529 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.382 5.758 4.314 1.00 0.74 C ATOM 0 H LEU A 50 -1.228 5.999 3.661 1.00 0.69 H new ATOM 0 HA LEU A 50 0.745 8.011 3.444 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.165 5.628 1.629 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.663 6.534 1.703 1.00 0.65 H new ATOM 0 HG LEU A 50 0.551 4.726 3.845 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.606 3.341 3.228 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.538 3.568 1.822 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.014 4.549 1.987 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.747 4.985 4.990 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.223 6.200 3.781 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.870 6.530 4.888 1.00 0.74 H new ATOM 813 N GLU A 51 0.279 9.070 1.137 1.00 0.70 N ATOM 814 CA GLU A 51 -0.253 9.787 0.019 1.00 0.76 C ATOM 815 C GLU A 51 0.210 9.270 -1.299 1.00 0.77 C ATOM 816 O GLU A 51 1.328 8.768 -1.406 1.00 1.23 O ATOM 817 CB GLU A 51 0.089 11.285 0.083 1.00 0.88 C ATOM 818 CG GLU A 51 -0.703 12.066 1.132 1.00 1.35 C ATOM 819 CD GLU A 51 -2.148 12.240 0.685 1.00 1.46 C ATOM 820 OE1 GLU A 51 -2.477 12.098 -0.523 1.00 1.94 O ATOM 821 OE2 GLU A 51 -2.996 12.583 1.551 1.00 1.89 O ATOM 0 H GLU A 51 1.220 9.335 1.429 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.330 9.637 0.093 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.153 11.394 0.292 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.091 11.729 -0.896 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.672 11.540 2.086 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.245 13.042 1.291 1.00 1.35 H new ATOM 828 N ASP A 52 -0.530 9.316 -2.421 1.00 0.66 N ATOM 829 CA ASP A 52 -0.165 8.657 -3.637 1.00 0.65 C ATOM 830 C ASP A 52 1.121 9.061 -4.274 1.00 0.60 C ATOM 831 O ASP A 52 2.050 8.286 -4.494 1.00 0.62 O ATOM 832 CB ASP A 52 -1.271 8.838 -4.690 1.00 0.81 C ATOM 833 CG ASP A 52 -2.616 8.255 -4.283 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.267 8.958 -3.463 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.010 7.119 -4.658 1.00 1.56 O ATOM 0 H ASP A 52 -1.410 9.828 -2.484 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.029 7.624 -3.318 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.394 9.902 -4.893 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.951 8.371 -5.621 1.00 0.81 H new ATOM 840 N GLY A 53 1.162 10.317 -4.752 1.00 0.68 N ATOM 841 CA GLY A 53 2.314 10.986 -5.276 1.00 0.73 C ATOM 842 C GLY A 53 3.461 11.399 -4.420 1.00 0.72 C ATOM 843 O GLY A 53 4.112 12.399 -4.720 1.00 0.97 O ATOM 0 H GLY A 53 0.330 10.907 -4.774 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.722 10.340 -6.053 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.953 11.889 -5.769 1.00 0.73 H new ATOM 847 N ARG A 54 3.754 10.630 -3.357 1.00 0.64 N ATOM 848 CA ARG A 54 5.005 10.802 -2.686 1.00 0.63 C ATOM 849 C ARG A 54 5.745 9.526 -2.892 1.00 0.59 C ATOM 850 O ARG A 54 5.177 8.496 -3.252 1.00 0.62 O ATOM 851 CB ARG A 54 4.901 11.021 -1.168 1.00 0.69 C ATOM 852 CG ARG A 54 3.757 11.965 -0.790 1.00 0.82 C ATOM 853 CD ARG A 54 3.853 13.371 -1.385 1.00 1.18 C ATOM 854 NE ARG A 54 2.810 14.197 -0.716 1.00 1.50 N ATOM 855 CZ ARG A 54 3.002 14.982 0.385 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.215 15.112 0.997 1.00 2.48 N ATOM 857 NH2 ARG A 54 1.947 15.686 0.891 1.00 2.49 N ATOM 0 H ARG A 54 3.145 9.909 -2.970 1.00 0.64 H new ATOM 0 HA ARG A 54 5.481 11.694 -3.092 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.753 10.060 -0.675 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.842 11.428 -0.797 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.816 11.516 -1.108 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.719 12.049 0.296 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.844 13.793 -1.220 1.00 1.18 H new ATOM 0 HD3 ARG A 54 3.693 13.346 -2.463 1.00 1.18 H new ATOM 0 HE ARG A 54 1.871 14.175 -1.114 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.026 14.611 0.634 1.00 2.48 H new ATOM 0 HH12 ARG A 54 4.311 15.710 1.818 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.031 15.621 0.447 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.075 16.276 1.713 1.00 2.49 H new ATOM 871 N THR A 55 7.076 9.520 -2.697 1.00 0.63 N ATOM 872 CA THR A 55 7.860 8.326 -2.773 1.00 0.61 C ATOM 873 C THR A 55 7.824 7.504 -1.531 1.00 0.59 C ATOM 874 O THR A 55 7.632 8.016 -0.429 1.00 0.64 O ATOM 875 CB THR A 55 9.301 8.573 -3.106 1.00 0.68 C ATOM 876 OG1 THR A 55 10.000 9.169 -2.025 1.00 0.75 O ATOM 877 CG2 THR A 55 9.404 9.474 -4.349 1.00 0.76 C ATOM 0 H THR A 55 7.617 10.358 -2.483 1.00 0.63 H new ATOM 0 HA THR A 55 7.384 7.778 -3.586 1.00 0.61 H new ATOM 0 HB THR A 55 9.762 7.606 -3.309 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.817 8.660 -1.844 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.454 9.649 -4.585 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.919 8.985 -5.194 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.913 10.426 -4.150 1.00 0.76 H new ATOM 885 N LEU A 56 8.141 6.201 -1.632 1.00 0.58 N ATOM 886 CA LEU A 56 8.254 5.252 -0.568 1.00 0.59 C ATOM 887 C LEU A 56 9.368 5.518 0.384 1.00 0.64 C ATOM 888 O LEU A 56 9.290 5.112 1.544 1.00 0.70 O ATOM 889 CB LEU A 56 8.400 3.814 -1.091 1.00 0.60 C ATOM 890 CG LEU A 56 7.178 3.119 -1.715 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.655 2.245 -2.889 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.354 2.398 -0.635 1.00 1.03 C ATOM 0 H LEU A 56 8.335 5.776 -2.539 1.00 0.58 H new ATOM 0 HA LEU A 56 7.317 5.366 -0.022 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.195 3.814 -1.837 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.742 3.195 -0.261 1.00 0.60 H new ATOM 0 HG LEU A 56 6.478 3.839 -2.140 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.799 1.745 -3.342 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.145 2.872 -3.634 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.360 1.498 -2.524 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.494 1.913 -1.097 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.974 1.648 -0.145 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.009 3.122 0.103 1.00 1.03 H new ATOM 904 N SER A 57 10.423 6.228 -0.054 1.00 0.68 N ATOM 905 CA SER A 57 11.583 6.623 0.683 1.00 0.75 C ATOM 906 C SER A 57 11.336 7.869 1.462 1.00 0.76 C ATOM 907 O SER A 57 12.108 8.203 2.360 1.00 0.84 O ATOM 908 CB SER A 57 12.799 7.037 -0.163 1.00 0.84 C ATOM 909 OG SER A 57 12.468 7.963 -1.188 1.00 1.19 O ATOM 0 H SER A 57 10.465 6.556 -1.019 1.00 0.68 H new ATOM 0 HA SER A 57 11.784 5.727 1.270 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.555 7.477 0.487 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.243 6.148 -0.612 1.00 0.84 H new ATOM 0 HG SER A 57 13.275 8.194 -1.694 1.00 1.19 H new ATOM 915 N ASP A 58 10.235 8.615 1.263 1.00 0.75 N ATOM 916 CA ASP A 58 9.703 9.680 2.055 1.00 0.78 C ATOM 917 C ASP A 58 9.359 9.131 3.398 1.00 0.77 C ATOM 918 O ASP A 58 9.986 9.631 4.331 1.00 0.86 O ATOM 919 CB ASP A 58 8.511 10.256 1.273 1.00 0.83 C ATOM 920 CG ASP A 58 8.408 11.734 1.622 1.00 1.23 C ATOM 921 OD1 ASP A 58 8.020 12.027 2.785 1.00 1.86 O ATOM 922 OD2 ASP A 58 8.757 12.592 0.768 1.00 1.90 O ATOM 0 H ASP A 58 9.649 8.447 0.445 1.00 0.75 H new ATOM 0 HA ASP A 58 10.403 10.496 2.234 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.656 10.124 0.201 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.591 9.734 1.537 1.00 0.83 H new ATOM 927 N TYR A 59 8.516 8.083 3.383 1.00 0.72 N ATOM 928 CA TYR A 59 7.926 7.366 4.470 1.00 0.73 C ATOM 929 C TYR A 59 8.860 6.419 5.140 1.00 0.76 C ATOM 930 O TYR A 59 8.530 5.942 6.224 1.00 0.89 O ATOM 931 CB TYR A 59 6.751 6.588 3.856 1.00 0.73 C ATOM 932 CG TYR A 59 5.640 7.515 3.494 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.916 8.131 4.487 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.288 7.750 2.186 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.960 9.066 4.166 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.369 8.722 1.861 1.00 0.70 C ATOM 937 CZ TYR A 59 3.634 9.322 2.855 1.00 0.74 C ATOM 938 OH TYR A 59 2.465 10.032 2.509 1.00 0.86 O ATOM 0 H TYR A 59 8.212 7.692 2.491 1.00 0.72 H new ATOM 0 HA TYR A 59 7.624 8.068 5.248 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.087 6.051 2.969 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.393 5.841 4.564 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.098 7.880 5.522 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.740 7.162 1.401 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.458 9.607 4.955 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.226 9.011 0.830 1.00 0.70 H new ATOM 0 HH TYR A 59 2.615 10.522 1.673 1.00 0.86 H new ATOM 948 N ASN A 60 10.020 6.118 4.526 1.00 0.74 N ATOM 949 CA ASN A 60 11.002 5.177 4.970 1.00 0.79 C ATOM 950 C ASN A 60 10.540 3.775 5.177 1.00 0.75 C ATOM 951 O ASN A 60 10.409 3.279 6.293 1.00 0.86 O ATOM 952 CB ASN A 60 11.709 5.798 6.186 1.00 0.95 C ATOM 953 CG ASN A 60 12.522 7.014 5.763 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.451 6.881 4.967 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.156 8.209 6.298 1.00 1.83 N ATOM 0 H ASN A 60 10.290 6.569 3.652 1.00 0.74 H new ATOM 0 HA ASN A 60 11.708 5.018 4.155 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.972 6.088 6.935 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.362 5.060 6.651 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.661 9.058 6.044 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.376 8.257 6.954 1.00 1.83 H new ATOM 962 N ILE A 61 10.124 3.120 4.078 1.00 0.67 N ATOM 963 CA ILE A 61 9.738 1.744 4.021 1.00 0.65 C ATOM 964 C ILE A 61 11.013 0.972 3.996 1.00 0.66 C ATOM 965 O ILE A 61 11.784 0.937 3.038 1.00 0.75 O ATOM 966 CB ILE A 61 8.905 1.362 2.833 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.632 2.211 2.676 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.434 -0.098 2.940 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.676 2.496 3.833 1.00 0.82 C ATOM 0 H ILE A 61 10.053 3.582 3.171 1.00 0.67 H new ATOM 0 HA ILE A 61 9.101 1.532 4.880 1.00 0.65 H new ATOM 0 HB ILE A 61 9.558 1.523 1.976 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.951 3.180 2.292 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.039 1.738 1.893 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.832 -0.351 2.067 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.301 -0.757 2.987 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.835 -0.222 3.842 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.852 3.115 3.480 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.283 1.556 4.221 1.00 0.82 H new ATOM 0 HD13 ILE A 61 7.210 3.020 4.625 1.00 0.82 H new ATOM 981 N GLN A 62 11.322 0.375 5.160 1.00 0.67 N ATOM 982 CA GLN A 62 12.438 -0.495 5.366 1.00 0.70 C ATOM 983 C GLN A 62 12.246 -1.833 4.738 1.00 0.62 C ATOM 984 O GLN A 62 11.130 -2.222 4.396 1.00 0.64 O ATOM 985 CB GLN A 62 12.776 -0.630 6.860 1.00 0.85 C ATOM 986 CG GLN A 62 11.745 -1.288 7.778 1.00 1.27 C ATOM 987 CD GLN A 62 12.122 -1.208 9.251 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.327 -1.136 9.488 1.00 2.08 O ATOM 989 NE2 GLN A 62 11.260 -1.512 10.257 1.00 2.16 N ATOM 0 H GLN A 62 10.763 0.506 6.003 1.00 0.67 H new ATOM 0 HA GLN A 62 13.288 -0.030 4.866 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.704 -1.196 6.942 1.00 0.85 H new ATOM 0 HB3 GLN A 62 12.977 0.369 7.247 1.00 0.85 H new ATOM 0 HG2 GLN A 62 10.777 -0.809 7.630 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.630 -2.334 7.495 1.00 1.27 H new ATOM 0 HE21 GLN A 62 10.259 -1.574 10.070 1.00 2.16 H new ATOM 0 HE22 GLN A 62 11.614 -1.678 11.199 1.00 2.16 H new ATOM 998 N LYS A 63 13.257 -2.714 4.650 1.00 0.64 N ATOM 999 CA LYS A 63 13.152 -4.117 4.393 1.00 0.62 C ATOM 1000 C LYS A 63 12.263 -4.817 5.362 1.00 0.59 C ATOM 1001 O LYS A 63 12.329 -4.574 6.565 1.00 0.66 O ATOM 1002 CB LYS A 63 14.480 -4.889 4.301 1.00 0.74 C ATOM 1003 CG LYS A 63 15.271 -4.861 2.991 1.00 0.89 C ATOM 1004 CD LYS A 63 16.633 -5.520 3.220 1.00 1.11 C ATOM 1005 CE LYS A 63 17.717 -5.404 2.146 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.725 -6.352 1.009 1.00 2.12 N ATOM 0 H LYS A 63 14.227 -2.420 4.768 1.00 0.64 H new ATOM 0 HA LYS A 63 12.712 -4.129 3.396 1.00 0.62 H new ATOM 0 HB2 LYS A 63 15.134 -4.512 5.087 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.270 -5.933 4.535 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.724 -5.388 2.209 1.00 0.89 H new ATOM 0 HG3 LYS A 63 15.402 -3.833 2.652 1.00 0.89 H new ATOM 0 HD2 LYS A 63 17.043 -5.110 4.143 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.457 -6.582 3.393 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.658 -4.398 1.731 1.00 1.47 H new ATOM 0 HE3 LYS A 63 18.682 -5.487 2.646 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.523 -6.132 0.379 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.825 -7.323 1.367 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.833 -6.268 0.481 1.00 2.12 H new ATOM 1020 N GLU A 64 11.403 -5.713 4.844 1.00 0.57 N ATOM 1021 CA GLU A 64 10.452 -6.644 5.365 1.00 0.58 C ATOM 1022 C GLU A 64 9.258 -5.976 5.956 1.00 0.56 C ATOM 1023 O GLU A 64 8.773 -6.405 7.002 1.00 0.70 O ATOM 1024 CB GLU A 64 10.988 -7.664 6.383 1.00 0.72 C ATOM 1025 CG GLU A 64 12.035 -8.584 5.751 1.00 0.96 C ATOM 1026 CD GLU A 64 12.538 -9.465 6.886 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.334 -9.010 7.750 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.284 -10.699 6.935 1.00 1.69 O ATOM 0 H GLU A 64 11.383 -5.789 3.827 1.00 0.57 H new ATOM 0 HA GLU A 64 10.178 -7.205 4.472 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.427 -7.138 7.231 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.163 -8.261 6.771 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.600 -9.184 4.952 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.849 -8.008 5.310 1.00 0.96 H new ATOM 1035 N SER A 65 8.796 -4.892 5.306 1.00 0.51 N ATOM 1036 CA SER A 65 7.757 -4.100 5.887 1.00 0.51 C ATOM 1037 C SER A 65 6.358 -4.473 5.538 1.00 0.43 C ATOM 1038 O SER A 65 6.116 -4.898 4.410 1.00 0.50 O ATOM 1039 CB SER A 65 7.860 -2.618 5.486 1.00 0.65 C ATOM 1040 OG SER A 65 9.048 -2.023 5.988 1.00 1.04 O ATOM 0 H SER A 65 9.133 -4.569 4.399 1.00 0.51 H new ATOM 0 HA SER A 65 7.928 -4.287 6.947 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.840 -2.532 4.400 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.993 -2.077 5.865 1.00 0.65 H new ATOM 0 HG SER A 65 9.660 -1.839 5.246 1.00 1.04 H new ATOM 1046 N THR A 66 5.477 -4.355 6.548 1.00 0.45 N ATOM 1047 CA THR A 66 4.087 -4.680 6.480 1.00 0.45 C ATOM 1048 C THR A 66 3.343 -3.401 6.298 1.00 0.43 C ATOM 1049 O THR A 66 3.287 -2.556 7.190 1.00 0.58 O ATOM 1050 CB THR A 66 3.473 -5.297 7.703 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.196 -6.463 8.067 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.083 -5.861 7.364 1.00 0.78 C ATOM 0 H THR A 66 5.754 -4.012 7.468 1.00 0.45 H new ATOM 0 HA THR A 66 4.017 -5.413 5.676 1.00 0.45 H new ATOM 0 HB THR A 66 3.459 -4.527 8.474 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.793 -6.861 8.867 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.644 -6.307 8.256 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.441 -5.056 7.007 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.178 -6.620 6.588 1.00 0.78 H new ATOM 1060 N LEU A 67 2.658 -3.274 5.147 1.00 0.38 N ATOM 1061 CA LEU A 67 1.705 -2.246 4.862 1.00 0.38 C ATOM 1062 C LEU A 67 0.309 -2.739 5.028 1.00 0.37 C ATOM 1063 O LEU A 67 -0.001 -3.927 4.960 1.00 0.50 O ATOM 1064 CB LEU A 67 1.737 -1.706 3.423 1.00 0.46 C ATOM 1065 CG LEU A 67 2.847 -0.657 3.241 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.294 -1.116 3.488 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.717 -0.148 1.795 1.00 1.31 C ATOM 0 H LEU A 67 2.776 -3.926 4.372 1.00 0.38 H new ATOM 0 HA LEU A 67 1.986 -1.461 5.565 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.896 -2.530 2.727 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.772 -1.263 3.178 1.00 0.46 H new ATOM 0 HG LEU A 67 2.690 0.099 4.010 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.974 -0.280 3.325 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.393 -1.470 4.514 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.542 -1.924 2.800 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.483 0.604 1.604 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.845 -0.981 1.103 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.731 0.294 1.652 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.633 -1.835 5.350 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.978 -2.213 5.652 1.00 0.37 C ATOM 1081 C HIS A 68 -2.868 -1.519 4.679 1.00 0.35 C ATOM 1082 O HIS A 68 -2.845 -0.304 4.488 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.282 -1.733 7.080 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.600 -2.513 8.164 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.226 -2.558 8.300 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.119 -2.990 9.326 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.020 -3.049 9.551 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.123 -3.316 10.225 1.00 1.51 N ATOM 0 H HIS A 68 -0.460 -0.831 5.401 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.129 -3.290 5.585 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -1.990 -0.686 7.166 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.359 -1.778 7.242 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.175 -3.100 9.521 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.967 -3.208 9.960 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.217 -3.675 11.175 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.780 -2.281 4.049 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.728 -1.746 3.123 1.00 0.38 C ATOM 1098 C LEU A 69 -6.157 -1.767 3.545 1.00 0.41 C ATOM 1099 O LEU A 69 -6.709 -2.781 3.966 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.563 -2.442 1.761 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.518 -2.047 0.621 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.533 -0.565 0.212 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.242 -2.941 -0.600 1.00 1.14 C ATOM 0 H LEU A 69 -3.860 -3.289 4.186 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.490 -0.684 3.065 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.544 -2.264 1.418 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.663 -3.515 1.922 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.518 -2.206 1.024 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.246 -0.419 -0.600 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.826 0.045 1.066 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.538 -0.269 -0.121 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.916 -2.666 -1.412 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.210 -2.806 -0.924 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.405 -3.985 -0.331 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.763 -0.571 3.658 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.169 -0.490 3.913 1.00 0.56 C ATOM 1117 C VAL A 70 -8.713 0.093 2.655 1.00 0.55 C ATOM 1118 O VAL A 70 -7.972 0.552 1.787 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.448 0.254 5.185 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.101 -0.597 6.418 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.852 1.670 5.253 1.00 0.97 C ATOM 0 H VAL A 70 -6.288 0.328 3.574 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.662 -1.441 4.113 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.524 0.427 5.188 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.315 -0.029 7.324 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -8.699 -1.508 6.411 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -7.043 -0.858 6.394 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -8.107 2.127 6.209 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.768 1.613 5.156 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.258 2.275 4.442 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.056 0.108 2.599 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.732 0.673 1.473 1.00 0.84 C ATOM 1133 C LEU A 71 -11.755 1.681 1.871 1.00 0.85 C ATOM 1134 O LEU A 71 -12.225 1.620 3.006 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.430 -0.256 0.463 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.657 -1.537 0.110 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.664 -2.400 -0.668 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.430 -1.281 -0.782 1.00 2.78 C ATOM 0 H LEU A 71 -10.668 -0.266 3.324 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.868 1.091 0.956 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.403 -0.537 0.865 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.613 0.303 -0.454 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.275 -2.002 1.019 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.191 -3.338 -0.959 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.527 -2.610 -0.037 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.989 -1.865 -1.560 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.930 -2.226 -0.993 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.750 -0.823 -1.718 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.739 -0.612 -0.268 1.00 2.78 H new