USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 106:sc= 1.22 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.07 K(o=1.1,f=-5.7!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 154:sc= 0.809 (180deg=-0.0224) USER MOD Set 3.2: A 12 THR OG1 : rot 160:sc= 0.723 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.07 (180deg=0.992) USER MOD Single : A 2 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.0044) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -128:sc= 1.12 (180deg=-0.732!) USER MOD Single : A 14 THR OG1 : rot -87:sc= 0.623 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= 1.3 (180deg=0.487) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.507 (180deg=0.413) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0583) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 41 GLN : amide:sc= 0.606 K(o=0.61,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 59 TYR OH : rot 15:sc= 0.608 USER MOD Single : A 60 ASN : amide:sc= -0.105 K(o=-0.1,f=-2.3!) 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 -121:sc= 0.0272 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.000909 X(o=-0.00091,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.659 -7.982 -5.088 1.00 9.67 N ATOM 2 CA MET A 1 11.539 -8.438 -3.707 1.00 10.38 C ATOM 3 C MET A 1 10.056 -8.532 -3.324 1.00 9.62 C ATOM 4 O MET A 1 9.186 -7.969 -3.951 1.00 9.62 O ATOM 5 CB MET A 1 12.228 -7.418 -2.689 1.00 13.77 C ATOM 6 CG MET A 1 11.621 -5.988 -2.569 1.00 16.29 C ATOM 7 SD MET A 1 12.473 -4.846 -1.441 1.00 17.17 S ATOM 8 CE MET A 1 11.261 -3.421 -1.508 1.00 16.11 C ATOM 0 H1 MET A 1 12.650 -7.740 -5.289 1.00 9.67 H new ATOM 0 H2 MET A 1 11.350 -8.738 -5.731 1.00 9.67 H new ATOM 0 H3 MET A 1 11.062 -7.142 -5.229 1.00 9.67 H new ATOM 0 HA MET A 1 12.033 -9.408 -3.642 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.213 -7.872 -1.698 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.274 -7.314 -2.976 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.603 -5.539 -3.562 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.585 -6.082 -2.243 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.616 -2.611 -0.870 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.176 -3.064 -2.534 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.285 -3.757 -1.159 1.00 16.11 H new ATOM 20 N GLN A 2 9.732 -9.246 -2.219 1.00 9.27 N ATOM 21 CA GLN A 2 8.368 -9.316 -1.647 1.00 9.07 C ATOM 22 C GLN A 2 8.150 -8.159 -0.723 1.00 8.72 C ATOM 23 O GLN A 2 9.073 -7.725 -0.097 1.00 8.22 O ATOM 24 CB GLN A 2 8.198 -10.557 -0.843 1.00 14.46 C ATOM 25 CG GLN A 2 8.296 -11.869 -1.648 1.00 17.01 C ATOM 26 CD GLN A 2 8.119 -13.097 -0.773 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.221 -13.882 -0.974 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.942 -13.167 0.279 1.00 19.49 N ATOM 0 H GLN A 2 10.416 -9.793 -1.697 1.00 9.27 H new ATOM 0 HA GLN A 2 7.659 -9.302 -2.474 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.955 -10.571 -0.059 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.227 -10.522 -0.349 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.537 -11.870 -2.430 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.265 -11.916 -2.145 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.682 -12.475 0.395 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.830 -13.913 0.966 1.00 19.49 H new ATOM 37 N ILE A 3 6.846 -7.673 -0.587 1.00 5.87 N ATOM 38 CA ILE A 3 6.435 -6.924 0.596 1.00 5.07 C ATOM 39 C ILE A 3 5.097 -7.462 1.050 1.00 4.01 C ATOM 40 O ILE A 3 4.446 -8.155 0.292 1.00 4.61 O ATOM 41 CB ILE A 3 6.228 -5.417 0.456 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.272 -4.963 -0.667 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.610 -4.696 0.436 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.229 -3.426 -0.761 1.00 10.83 C ATOM 0 H ILE A 3 6.112 -7.803 -1.283 1.00 5.87 H new ATOM 0 HA ILE A 3 7.274 -7.057 1.279 1.00 5.07 H new ATOM 0 HB ILE A 3 5.678 -5.103 1.343 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.598 -5.381 -1.619 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.270 -5.348 -0.476 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.458 -3.621 0.336 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.142 -4.903 1.365 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.198 -5.059 -0.407 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.549 -3.129 -1.559 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.880 -3.013 0.185 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.228 -3.047 -0.976 1.00 10.83 H new ATOM 56 N PHE A 4 4.711 -7.196 2.282 1.00 4.55 N ATOM 57 CA PHE A 4 3.526 -7.728 2.865 1.00 4.68 C ATOM 58 C PHE A 4 2.488 -6.605 3.110 1.00 5.30 C ATOM 59 O PHE A 4 2.859 -5.542 3.600 1.00 5.58 O ATOM 60 CB PHE A 4 3.836 -8.534 4.227 1.00 4.83 C ATOM 61 CG PHE A 4 4.571 -9.796 4.098 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.926 -10.369 2.905 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.055 -10.350 5.278 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.619 -11.609 2.850 1.00 9.10 C ATOM 65 CE2 PHE A 4 5.819 -11.559 5.313 1.00 10.61 C ATOM 66 CZ PHE A 4 6.063 -12.197 4.090 1.00 8.90 C ATOM 0 H PHE A 4 5.236 -6.587 2.910 1.00 4.55 H new ATOM 0 HA PHE A 4 3.104 -8.442 2.158 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.402 -7.878 4.888 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.887 -8.743 4.721 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.673 -9.866 1.983 1.00 6.69 H new ATOM 0 HD2 PHE A 4 4.845 -9.845 6.209 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.808 -12.097 1.905 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.192 -11.963 6.243 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.590 -13.140 4.075 1.00 8.90 H new ATOM 76 N VAL A 5 1.193 -6.925 2.844 1.00 4.44 N ATOM 77 CA VAL A 5 0.148 -6.023 3.148 1.00 3.87 C ATOM 78 C VAL A 5 -0.859 -6.662 4.038 1.00 4.93 C ATOM 79 O VAL A 5 -1.229 -7.845 3.835 1.00 6.84 O ATOM 80 CB VAL A 5 -0.546 -5.476 1.893 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.744 -4.553 2.216 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.364 -4.744 0.903 1.00 9.13 C ATOM 0 H VAL A 5 0.891 -7.804 2.423 1.00 4.44 H new ATOM 0 HA VAL A 5 0.610 -5.180 3.663 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.892 -6.390 1.410 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.192 -4.199 1.287 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.487 -5.108 2.788 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.399 -3.700 2.800 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.226 -4.399 0.054 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.825 -3.888 1.397 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.141 -5.423 0.553 1.00 9.13 H new ATOM 92 N LYS A 6 -1.278 -5.984 5.100 1.00 6.04 N ATOM 93 CA LYS A 6 -2.127 -6.490 6.158 1.00 6.12 C ATOM 94 C LYS A 6 -3.339 -5.586 6.303 1.00 6.57 C ATOM 95 O LYS A 6 -3.214 -4.349 6.451 1.00 5.76 O ATOM 96 CB LYS A 6 -1.427 -6.587 7.507 1.00 7.45 C ATOM 97 CG LYS A 6 -0.501 -7.771 7.520 1.00 11.12 C ATOM 98 CD LYS A 6 -0.082 -7.998 8.984 1.00 14.54 C ATOM 99 CE LYS A 6 1.145 -8.897 9.182 1.00 18.84 C ATOM 100 NZ LYS A 6 0.742 -10.272 8.931 1.00 20.55 N ATOM 0 H LYS A 6 -1.016 -5.010 5.249 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.412 -7.502 5.870 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.865 -5.673 7.701 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.165 -6.683 8.303 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.999 -8.654 7.120 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.371 -7.585 6.893 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.120 -7.029 9.441 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.923 -8.435 9.522 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.945 -8.605 8.502 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.534 -8.793 10.195 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.568 -10.825 8.625 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.352 -10.684 9.803 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.017 -10.291 8.185 1.00 20.55 H new ATOM 114 N THR A 7 -4.512 -6.210 6.377 1.00 7.41 N ATOM 115 CA THR A 7 -5.805 -5.500 6.268 1.00 7.48 C ATOM 116 C THR A 7 -6.484 -5.459 7.642 1.00 8.75 C ATOM 117 O THR A 7 -6.289 -6.276 8.495 1.00 8.58 O ATOM 118 CB THR A 7 -6.754 -6.049 5.248 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.364 -7.310 5.643 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.968 -6.409 3.992 1.00 9.17 C ATOM 0 H THR A 7 -4.604 -7.217 6.513 1.00 7.41 H new ATOM 0 HA THR A 7 -5.558 -4.499 5.915 1.00 7.48 H new ATOM 0 HB THR A 7 -7.516 -5.281 5.114 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.973 -7.614 4.938 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.647 -6.810 3.240 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.480 -5.517 3.600 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.214 -7.158 4.236 1.00 9.17 H new ATOM 128 N LEU A 8 -7.377 -4.430 7.874 1.00 9.84 N ATOM 129 CA LEU A 8 -8.011 -4.075 9.166 1.00 14.15 C ATOM 130 C LEU A 8 -8.844 -5.255 9.719 1.00 17.37 C ATOM 131 O LEU A 8 -8.881 -5.557 10.907 1.00 17.01 O ATOM 132 CB LEU A 8 -8.863 -2.780 9.034 1.00 16.63 C ATOM 133 CG LEU A 8 -9.070 -1.859 10.324 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.236 -2.301 11.238 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.798 -1.557 11.106 1.00 18.59 C ATOM 0 H LEU A 8 -7.675 -3.810 7.121 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.219 -3.870 9.886 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.409 -2.164 8.258 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.850 -3.070 8.674 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.373 -0.903 9.896 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.308 -1.624 12.089 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.169 -2.277 10.675 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.054 -3.315 11.595 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.038 -0.927 11.962 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.355 -2.490 11.455 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.089 -1.038 10.461 1.00 18.59 H new ATOM 147 N THR A 9 -9.590 -5.948 8.871 1.00 18.33 N ATOM 148 CA THR A 9 -10.577 -6.992 9.320 1.00 19.24 C ATOM 149 C THR A 9 -10.006 -8.366 9.342 1.00 19.48 C ATOM 150 O THR A 9 -10.747 -9.280 9.733 1.00 23.14 O ATOM 151 CB THR A 9 -11.829 -6.953 8.566 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.535 -7.153 7.200 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.512 -5.550 8.626 1.00 19.70 C ATOM 0 H THR A 9 -9.550 -5.825 7.859 1.00 18.33 H new ATOM 0 HA THR A 9 -10.813 -6.730 10.351 1.00 19.24 H new ATOM 0 HB THR A 9 -12.482 -7.713 8.996 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.365 -7.131 6.680 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.438 -5.571 8.051 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.734 -5.298 9.663 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.841 -4.801 8.206 1.00 19.70 H new ATOM 161 N GLY A 10 -8.721 -8.573 9.009 1.00 19.43 N ATOM 162 CA GLY A 10 -8.082 -9.913 9.056 1.00 18.74 C ATOM 163 C GLY A 10 -7.854 -10.509 7.685 1.00 17.62 C ATOM 164 O GLY A 10 -8.603 -11.333 7.263 1.00 19.74 O ATOM 0 H GLY A 10 -8.095 -7.829 8.702 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.127 -9.836 9.576 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.709 -10.588 9.639 1.00 18.74 H new ATOM 168 N LYS A 11 -6.655 -10.172 7.053 1.00 13.56 N ATOM 169 CA LYS A 11 -5.972 -10.847 5.954 1.00 11.91 C ATOM 170 C LYS A 11 -4.483 -10.379 5.892 1.00 10.18 C ATOM 171 O LYS A 11 -4.121 -9.388 6.554 1.00 9.10 O ATOM 172 CB LYS A 11 -6.794 -10.540 4.675 1.00 13.43 C ATOM 173 CG LYS A 11 -6.587 -11.529 3.544 1.00 16.69 C ATOM 174 CD LYS A 11 -7.384 -11.158 2.297 1.00 17.92 C ATOM 175 CE LYS A 11 -7.313 -12.248 1.249 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.440 -12.226 0.354 1.00 21.93 N ATOM 0 H LYS A 11 -6.133 -9.349 7.354 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.922 -11.929 6.079 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.852 -10.520 4.934 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.533 -9.542 4.321 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.527 -11.575 3.294 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.880 -12.525 3.877 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.425 -10.980 2.568 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.999 -10.227 1.882 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.394 -12.135 0.674 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.263 -13.219 1.742 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.869 -13.173 0.312 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.144 -11.542 0.699 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.123 -11.947 -0.597 1.00 21.93 H new ATOM 190 N THR A 12 -3.605 -11.126 5.238 1.00 9.63 N ATOM 191 CA THR A 12 -2.235 -10.716 4.901 1.00 9.85 C ATOM 192 C THR A 12 -2.166 -11.130 3.467 1.00 11.66 C ATOM 193 O THR A 12 -2.422 -12.280 3.087 1.00 12.33 O ATOM 194 CB THR A 12 -1.093 -11.444 5.682 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.178 -11.292 7.096 1.00 10.91 O ATOM 196 CG2 THR A 12 0.262 -10.793 5.342 1.00 9.63 C ATOM 0 H THR A 12 -3.827 -12.067 4.913 1.00 9.63 H new ATOM 0 HA THR A 12 -2.075 -9.664 5.139 1.00 9.85 H new ATOM 0 HB THR A 12 -1.187 -12.491 5.395 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.661 -12.001 7.533 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.057 -11.302 5.887 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.447 -10.875 4.271 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.242 -9.741 5.627 1.00 9.63 H new ATOM 204 N ILE A 13 -1.769 -10.213 2.569 1.00 10.42 N ATOM 205 CA ILE A 13 -1.501 -10.507 1.194 1.00 11.84 C ATOM 206 C ILE A 13 -0.030 -10.131 0.896 1.00 10.55 C ATOM 207 O ILE A 13 0.564 -9.321 1.614 1.00 11.92 O ATOM 208 CB ILE A 13 -2.463 -9.859 0.155 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.568 -8.382 0.299 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.812 -10.578 0.186 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.381 -7.682 -0.814 1.00 16.46 C ATOM 0 H ILE A 13 -1.629 -9.231 2.807 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.681 -11.575 1.070 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.038 -9.994 -0.840 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.026 -8.156 1.262 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.563 -7.960 0.317 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.484 -10.123 -0.542 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.669 -11.630 -0.060 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.246 -10.494 1.182 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.404 -6.608 -0.627 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.914 -7.872 -1.780 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.399 -8.071 -0.820 1.00 16.46 H new ATOM 223 N THR A 14 0.661 -10.771 -0.104 1.00 9.39 N ATOM 224 CA THR A 14 2.101 -10.522 -0.354 1.00 9.63 C ATOM 225 C THR A 14 2.070 -9.912 -1.737 1.00 11.20 C ATOM 226 O THR A 14 1.323 -10.403 -2.616 1.00 11.63 O ATOM 227 CB THR A 14 2.983 -11.751 -0.367 1.00 10.38 C ATOM 228 OG1 THR A 14 3.046 -12.403 0.873 1.00 16.30 O ATOM 229 CG2 THR A 14 4.471 -11.350 -0.681 1.00 11.66 C ATOM 0 H THR A 14 0.240 -11.452 -0.736 1.00 9.39 H new ATOM 0 HA THR A 14 2.532 -9.914 0.441 1.00 9.63 H new ATOM 0 HB THR A 14 2.540 -12.404 -1.119 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.759 -12.006 1.415 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.095 -12.244 -0.687 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.519 -10.867 -1.657 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.831 -10.661 0.083 1.00 11.66 H new ATOM 237 N LEU A 15 2.987 -8.956 -1.944 1.00 8.29 N ATOM 238 CA LEU A 15 3.098 -8.266 -3.219 1.00 9.03 C ATOM 239 C LEU A 15 4.504 -8.558 -3.814 1.00 8.59 C ATOM 240 O LEU A 15 5.410 -9.059 -3.165 1.00 7.79 O ATOM 241 CB LEU A 15 2.852 -6.765 -3.155 1.00 11.08 C ATOM 242 CG LEU A 15 1.481 -6.232 -2.586 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.597 -4.703 -2.462 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.246 -6.562 -3.537 1.00 15.27 C ATOM 0 H LEU A 15 3.658 -8.649 -1.240 1.00 8.29 H new ATOM 0 HA LEU A 15 2.304 -8.652 -3.858 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.649 -6.328 -2.553 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.963 -6.371 -4.165 1.00 11.08 H new ATOM 0 HG LEU A 15 1.296 -6.721 -1.630 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.664 -4.298 -2.070 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.414 -4.454 -1.784 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.796 -4.272 -3.443 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.670 -6.171 -3.093 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.403 -6.100 -4.511 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.158 -7.642 -3.658 1.00 15.27 H new ATOM 256 N GLU A 16 4.700 -8.290 -5.109 1.00 11.04 N ATOM 257 CA GLU A 16 5.974 -8.325 -5.816 1.00 11.50 C ATOM 258 C GLU A 16 6.288 -6.891 -6.187 1.00 10.13 C ATOM 259 O GLU A 16 5.543 -6.202 -6.925 1.00 9.83 O ATOM 260 CB GLU A 16 5.763 -9.211 -7.038 1.00 17.22 C ATOM 261 CG GLU A 16 7.041 -9.309 -7.905 1.00 23.33 C ATOM 262 CD GLU A 16 6.788 -9.568 -9.308 1.00 26.99 C ATOM 263 OE1 GLU A 16 5.828 -9.006 -9.945 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.489 -10.490 -9.864 1.00 28.86 O ATOM 0 H GLU A 16 3.928 -8.029 -5.722 1.00 11.04 H new ATOM 0 HA GLU A 16 6.805 -8.727 -5.236 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.465 -10.209 -6.716 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.946 -8.812 -7.639 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.601 -8.378 -7.814 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.675 -10.102 -7.509 1.00 23.33 H new ATOM 271 N VAL A 17 7.382 -6.425 -5.654 1.00 8.99 N ATOM 272 CA VAL A 17 7.726 -5.021 -5.886 1.00 8.85 C ATOM 273 C VAL A 17 9.263 -4.786 -5.971 1.00 8.04 C ATOM 274 O VAL A 17 10.076 -5.644 -5.576 1.00 8.99 O ATOM 275 CB VAL A 17 7.318 -4.038 -4.758 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.833 -4.168 -4.576 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.969 -4.479 -3.479 1.00 10.54 C ATOM 0 H VAL A 17 8.036 -6.956 -5.078 1.00 8.99 H new ATOM 0 HA VAL A 17 7.182 -4.827 -6.811 1.00 8.85 H new ATOM 0 HB VAL A 17 7.612 -3.018 -5.005 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.502 -3.491 -3.788 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.329 -3.914 -5.508 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.589 -5.194 -4.299 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.691 -3.797 -2.675 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.637 -5.487 -3.230 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.052 -4.474 -3.601 1.00 10.54 H new ATOM 287 N GLU A 18 9.646 -3.588 -6.444 1.00 7.29 N ATOM 288 CA GLU A 18 11.021 -3.159 -6.450 1.00 7.08 C ATOM 289 C GLU A 18 11.008 -1.883 -5.586 1.00 6.45 C ATOM 290 O GLU A 18 9.964 -1.258 -5.442 1.00 5.28 O ATOM 291 CB GLU A 18 11.517 -2.828 -7.874 1.00 10.28 C ATOM 292 CG GLU A 18 11.662 -4.071 -8.834 1.00 12.65 C ATOM 293 CD GLU A 18 12.734 -4.999 -8.368 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.786 -4.512 -7.827 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.582 -6.253 -8.544 1.00 14.33 O ATOM 0 H GLU A 18 8.997 -2.902 -6.829 1.00 7.29 H new ATOM 0 HA GLU A 18 11.690 -3.935 -6.077 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.827 -2.116 -8.327 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.484 -2.331 -7.799 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.713 -4.605 -8.885 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.889 -3.728 -9.843 1.00 12.65 H new ATOM 302 N PRO A 19 12.067 -1.474 -4.970 1.00 7.24 N ATOM 303 CA PRO A 19 12.128 -0.210 -4.110 1.00 7.07 C ATOM 304 C PRO A 19 11.842 1.089 -4.961 1.00 6.65 C ATOM 305 O PRO A 19 11.636 2.125 -4.368 1.00 6.37 O ATOM 306 CB PRO A 19 13.494 -0.332 -3.353 1.00 7.61 C ATOM 307 CG PRO A 19 14.278 -1.261 -4.215 1.00 8.16 C ATOM 308 CD PRO A 19 13.306 -2.261 -4.796 1.00 7.49 C ATOM 0 HA PRO A 19 11.341 -0.112 -3.363 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.986 0.635 -3.251 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.363 -0.730 -2.347 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.786 -0.713 -5.008 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.049 -1.767 -3.633 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.663 -2.664 -5.744 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.153 -3.108 -4.127 1.00 7.49 H new ATOM 316 N SER A 20 11.951 0.977 -6.307 1.00 6.80 N ATOM 317 CA SER A 20 11.688 2.048 -7.278 1.00 6.28 C ATOM 318 C SER A 20 10.207 2.293 -7.548 1.00 8.45 C ATOM 319 O SER A 20 9.826 3.371 -7.921 1.00 7.26 O ATOM 320 CB SER A 20 12.412 1.804 -8.537 1.00 8.57 C ATOM 321 OG SER A 20 12.132 0.465 -9.023 1.00 11.13 O ATOM 0 H SER A 20 12.235 0.105 -6.754 1.00 6.80 H new ATOM 0 HA SER A 20 12.062 2.962 -6.816 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.115 2.540 -9.284 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.484 1.925 -8.378 1.00 8.57 H new ATOM 0 HG SER A 20 12.617 0.313 -9.861 1.00 11.13 H new ATOM 327 N ASP A 21 9.346 1.271 -7.417 1.00 7.50 N ATOM 328 CA ASP A 21 7.875 1.428 -7.422 1.00 7.70 C ATOM 329 C ASP A 21 7.343 2.459 -6.401 1.00 7.08 C ATOM 330 O ASP A 21 7.836 2.589 -5.250 1.00 8.11 O ATOM 331 CB ASP A 21 7.291 0.046 -7.003 1.00 11.00 C ATOM 332 CG ASP A 21 7.523 -1.034 -8.052 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.440 -0.749 -9.283 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.631 -2.252 -7.657 1.00 14.36 O ATOM 0 H ASP A 21 9.649 0.304 -7.304 1.00 7.50 H new ATOM 0 HA ASP A 21 7.583 1.775 -8.413 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.744 -0.265 -6.062 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.221 0.148 -6.823 1.00 11.00 H new ATOM 339 N THR A 22 6.261 3.159 -6.752 1.00 5.37 N ATOM 340 CA THR A 22 5.684 4.248 -5.990 1.00 6.01 C ATOM 341 C THR A 22 4.506 3.739 -5.231 1.00 8.01 C ATOM 342 O THR A 22 4.022 2.635 -5.486 1.00 8.11 O ATOM 343 CB THR A 22 5.196 5.472 -6.781 1.00 8.92 C ATOM 344 OG1 THR A 22 4.299 5.105 -7.792 1.00 10.22 O ATOM 345 CG2 THR A 22 6.292 6.360 -7.395 1.00 9.65 C ATOM 0 H THR A 22 5.748 2.967 -7.613 1.00 5.37 H new ATOM 0 HA THR A 22 6.511 4.594 -5.370 1.00 6.01 H new ATOM 0 HB THR A 22 4.706 6.077 -6.018 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.006 5.905 -8.276 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.831 7.191 -7.928 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.932 6.748 -6.603 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.891 5.771 -8.089 1.00 9.65 H new ATOM 353 N ILE A 23 4.043 4.465 -4.216 1.00 8.32 N ATOM 354 CA ILE A 23 2.847 4.246 -3.467 1.00 9.92 C ATOM 355 C ILE A 23 1.555 4.032 -4.432 1.00 10.01 C ATOM 356 O ILE A 23 0.617 3.245 -4.112 1.00 8.71 O ATOM 357 CB ILE A 23 2.580 5.394 -2.439 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.808 5.612 -1.476 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.242 5.231 -1.679 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.166 4.352 -0.668 1.00 12.30 C ATOM 0 H ILE A 23 4.550 5.285 -3.883 1.00 8.32 H new ATOM 0 HA ILE A 23 3.002 3.325 -2.906 1.00 9.92 H new ATOM 0 HB ILE A 23 2.469 6.309 -3.020 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.674 5.919 -2.063 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.584 6.427 -0.788 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.116 6.059 -0.982 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.417 5.228 -2.391 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.249 4.291 -1.128 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.019 4.563 -0.023 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.313 4.057 -0.057 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.420 3.542 -1.351 1.00 12.30 H new ATOM 372 N GLU A 24 1.460 4.768 -5.547 1.00 9.54 N ATOM 373 CA GLU A 24 0.372 4.694 -6.531 1.00 11.81 C ATOM 374 C GLU A 24 0.383 3.281 -7.184 1.00 11.14 C ATOM 375 O GLU A 24 -0.656 2.684 -7.473 1.00 10.62 O ATOM 376 CB GLU A 24 0.459 5.726 -7.583 1.00 19.24 C ATOM 377 CG GLU A 24 -0.590 5.715 -8.718 1.00 27.76 C ATOM 378 CD GLU A 24 -0.347 7.023 -9.450 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.686 7.098 -10.174 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.114 7.992 -9.259 1.00 36.51 O ATOM 0 H GLU A 24 2.167 5.459 -5.798 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.560 4.877 -5.997 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.410 6.700 -7.096 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.445 5.648 -8.042 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.457 4.857 -9.377 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.605 5.660 -8.324 1.00 27.76 H new ATOM 387 N ASN A 25 1.606 2.747 -7.491 1.00 9.43 N ATOM 388 CA ASN A 25 1.935 1.440 -7.993 1.00 10.96 C ATOM 389 C ASN A 25 1.464 0.321 -7.106 1.00 9.68 C ATOM 390 O ASN A 25 0.883 -0.675 -7.572 1.00 9.33 O ATOM 391 CB ASN A 25 3.349 1.201 -8.358 1.00 16.78 C ATOM 392 CG ASN A 25 3.980 2.203 -9.338 1.00 22.31 C ATOM 393 OD1 ASN A 25 5.166 2.405 -9.098 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.395 2.702 -10.384 1.00 24.70 N ATOM 0 H ASN A 25 2.450 3.307 -7.368 1.00 9.43 H new ATOM 0 HA ASN A 25 1.376 1.436 -8.929 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.942 1.198 -7.444 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.426 0.204 -8.792 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.923 3.282 -11.036 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.407 2.514 -10.554 1.00 24.70 H new ATOM 401 N VAL A 26 1.651 0.416 -5.772 1.00 6.52 N ATOM 402 CA VAL A 26 1.218 -0.608 -4.802 1.00 5.53 C ATOM 403 C VAL A 26 -0.278 -0.858 -4.772 1.00 4.42 C ATOM 404 O VAL A 26 -0.712 -1.977 -4.842 1.00 3.40 O ATOM 405 CB VAL A 26 1.654 -0.125 -3.414 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.219 -1.126 -2.264 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.226 -0.065 -3.429 1.00 8.12 C ATOM 0 H VAL A 26 2.112 1.215 -5.336 1.00 6.52 H new ATOM 0 HA VAL A 26 1.674 -1.552 -5.101 1.00 5.53 H new ATOM 0 HB VAL A 26 1.187 0.839 -3.213 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.551 -0.739 -1.300 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.134 -1.226 -2.260 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.673 -2.101 -2.440 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.586 0.275 -2.458 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.626 -1.057 -3.637 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.556 0.629 -4.202 1.00 8.12 H new ATOM 417 N LYS A 27 -1.089 0.208 -4.896 1.00 2.64 N ATOM 418 CA LYS A 27 -2.521 0.145 -4.895 1.00 4.14 C ATOM 419 C LYS A 27 -3.078 -0.501 -6.189 1.00 5.58 C ATOM 420 O LYS A 27 -4.122 -1.142 -6.189 1.00 4.11 O ATOM 421 CB LYS A 27 -3.175 1.566 -4.667 1.00 3.97 C ATOM 422 CG LYS A 27 -2.781 2.133 -3.260 1.00 7.45 C ATOM 423 CD LYS A 27 -3.382 3.602 -3.040 1.00 9.02 C ATOM 424 CE LYS A 27 -2.536 4.708 -3.697 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.255 6.023 -3.632 1.00 15.47 N ATOM 0 H LYS A 27 -0.732 1.158 -5.002 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.795 -0.494 -4.055 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.847 2.253 -5.447 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.260 1.490 -4.744 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.148 1.466 -2.480 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.695 2.164 -3.168 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.393 3.638 -3.445 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.459 3.800 -1.971 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.573 4.787 -3.192 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.331 4.449 -4.736 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.578 6.778 -3.399 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.694 6.224 -4.553 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.991 5.980 -2.899 1.00 15.47 H new ATOM 439 N ALA A 28 -2.357 -0.310 -7.296 1.00 6.61 N ATOM 440 CA ALA A 28 -2.722 -1.068 -8.492 1.00 7.74 C ATOM 441 C ALA A 28 -2.425 -2.557 -8.406 1.00 9.17 C ATOM 442 O ALA A 28 -3.247 -3.371 -8.784 1.00 11.45 O ATOM 443 CB ALA A 28 -1.894 -0.560 -9.710 1.00 7.68 C ATOM 0 H ALA A 28 -1.563 0.324 -7.390 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.797 -0.920 -8.594 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.169 -1.127 -10.599 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.102 0.497 -9.876 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.831 -0.694 -9.509 1.00 7.68 H new ATOM 449 N LYS A 29 -1.261 -2.907 -7.775 1.00 8.96 N ATOM 450 CA LYS A 29 -0.886 -4.306 -7.474 1.00 7.90 C ATOM 451 C LYS A 29 -1.782 -5.039 -6.429 1.00 6.92 C ATOM 452 O LYS A 29 -2.040 -6.229 -6.507 1.00 6.87 O ATOM 453 CB LYS A 29 0.530 -4.316 -6.911 1.00 10.28 C ATOM 454 CG LYS A 29 1.649 -3.935 -7.824 1.00 14.94 C ATOM 455 CD LYS A 29 2.974 -3.702 -7.131 1.00 19.69 C ATOM 456 CE LYS A 29 4.274 -3.348 -8.004 1.00 22.63 C ATOM 457 NZ LYS A 29 4.533 -4.365 -9.004 1.00 24.98 N ATOM 0 H LYS A 29 -0.569 -2.224 -7.467 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.000 -4.836 -8.419 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.554 -3.643 -6.054 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.733 -5.318 -6.534 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.776 -4.720 -8.569 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.370 -3.028 -8.361 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.830 -2.891 -6.417 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.203 -4.598 -6.554 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.135 -2.383 -8.492 1.00 22.63 H new ATOM 0 HE3 LYS A 29 5.139 -3.252 -7.348 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.281 -4.037 -9.647 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.839 -5.242 -8.536 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.665 -4.547 -9.547 1.00 24.98 H new ATOM 471 N ILE A 30 -2.301 -4.273 -5.376 1.00 4.57 N ATOM 472 CA ILE A 30 -3.326 -4.759 -4.457 1.00 5.58 C ATOM 473 C ILE A 30 -4.681 -4.928 -5.180 1.00 7.26 C ATOM 474 O ILE A 30 -5.369 -5.929 -4.941 1.00 9.46 O ATOM 475 CB ILE A 30 -3.535 -3.903 -3.278 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.203 -3.908 -2.522 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.646 -4.480 -2.376 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.191 -2.871 -1.426 1.00 2.00 C ATOM 0 H ILE A 30 -1.996 -3.320 -5.179 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.948 -5.719 -4.104 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.841 -2.898 -3.569 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.029 -4.895 -2.094 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.387 -3.714 -3.218 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.785 -3.832 -1.510 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.578 -4.538 -2.939 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.361 -5.477 -2.041 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.232 -2.900 -0.908 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.340 -1.882 -1.859 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.992 -3.081 -0.718 1.00 2.00 H new ATOM 490 N GLN A 31 -5.017 -3.993 -6.106 1.00 7.06 N ATOM 491 CA GLN A 31 -6.244 -4.068 -6.946 1.00 8.67 C ATOM 492 C GLN A 31 -6.391 -5.369 -7.723 1.00 10.90 C ATOM 493 O GLN A 31 -7.495 -5.910 -7.843 1.00 9.63 O ATOM 494 CB GLN A 31 -6.367 -2.917 -7.946 1.00 9.12 C ATOM 495 CG GLN A 31 -7.753 -2.870 -8.708 1.00 10.76 C ATOM 496 CD GLN A 31 -7.778 -1.581 -9.581 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.699 -0.851 -9.483 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.811 -1.365 -10.485 1.00 14.76 N ATOM 0 H GLN A 31 -4.447 -3.168 -6.292 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.042 -4.004 -6.206 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.222 -1.974 -7.418 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.564 -2.999 -8.679 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.875 -3.755 -9.332 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.579 -2.865 -7.997 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.023 -2.009 -10.553 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.864 -0.557 -11.105 1.00 14.76 H new ATOM 507 N ASP A 32 -5.264 -5.871 -8.249 1.00 10.93 N ATOM 508 CA ASP A 32 -5.208 -7.044 -9.104 1.00 14.01 C ATOM 509 C ASP A 32 -5.520 -8.296 -8.270 1.00 14.04 C ATOM 510 O ASP A 32 -6.225 -9.163 -8.690 1.00 13.39 O ATOM 511 CB ASP A 32 -3.850 -7.113 -9.879 1.00 18.01 C ATOM 512 CG ASP A 32 -3.745 -8.037 -11.021 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.544 -7.901 -11.965 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.910 -8.950 -10.936 1.00 26.29 O ATOM 0 H ASP A 32 -4.348 -5.455 -8.081 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.971 -6.981 -9.880 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.622 -6.110 -10.240 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.072 -7.379 -9.164 1.00 18.01 H new ATOM 519 N LYS A 33 -5.150 -8.285 -6.995 1.00 14.22 N ATOM 520 CA LYS A 33 -5.423 -9.365 -6.070 1.00 14.00 C ATOM 521 C LYS A 33 -6.758 -9.307 -5.337 1.00 12.37 C ATOM 522 O LYS A 33 -7.460 -10.307 -5.318 1.00 12.17 O ATOM 523 CB LYS A 33 -4.289 -9.524 -5.061 1.00 18.62 C ATOM 524 CG LYS A 33 -2.924 -9.863 -5.629 1.00 24.00 C ATOM 525 CD LYS A 33 -1.821 -10.412 -4.695 1.00 27.61 C ATOM 526 CE LYS A 33 -0.394 -10.353 -5.247 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.353 -10.885 -6.645 1.00 30.06 N ATOM 0 H LYS A 33 -4.642 -7.508 -6.572 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.495 -10.239 -6.717 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.203 -8.597 -4.495 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.568 -10.305 -4.353 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.074 -10.596 -6.422 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.533 -8.960 -6.099 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.852 -9.854 -3.759 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.056 -11.449 -4.456 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.034 -9.324 -5.232 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.273 -10.934 -4.610 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.636 -10.997 -6.945 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.832 -11.807 -6.680 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.835 -10.220 -7.284 1.00 30.06 H new ATOM 541 N GLU A 34 -7.134 -8.201 -4.698 1.00 10.11 N ATOM 542 CA GLU A 34 -8.265 -8.145 -3.792 1.00 10.07 C ATOM 543 C GLU A 34 -9.403 -7.362 -4.478 1.00 9.32 C ATOM 544 O GLU A 34 -10.520 -7.412 -3.977 1.00 11.61 O ATOM 545 CB GLU A 34 -7.901 -7.387 -2.475 1.00 14.77 C ATOM 546 CG GLU A 34 -7.063 -8.280 -1.522 1.00 18.75 C ATOM 547 CD GLU A 34 -7.868 -9.459 -1.057 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.554 -9.305 -0.001 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.799 -10.556 -1.636 1.00 25.19 O ATOM 0 H GLU A 34 -6.650 -7.309 -4.801 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.559 -9.166 -3.549 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.341 -6.484 -2.716 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.814 -7.071 -1.971 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.165 -8.625 -2.035 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.735 -7.696 -0.663 1.00 18.75 H new ATOM 556 N GLY A 35 -9.174 -6.649 -5.580 1.00 7.22 N ATOM 557 CA GLY A 35 -10.310 -6.053 -6.285 1.00 6.29 C ATOM 558 C GLY A 35 -10.504 -4.639 -5.952 1.00 6.93 C ATOM 559 O GLY A 35 -11.370 -3.967 -6.527 1.00 7.41 O ATOM 0 H GLY A 35 -8.257 -6.474 -5.990 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.157 -6.151 -7.360 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.216 -6.607 -6.040 1.00 6.29 H new ATOM 563 N ILE A 36 -9.769 -4.086 -4.961 1.00 5.86 N ATOM 564 CA ILE A 36 -9.943 -2.744 -4.448 1.00 6.07 C ATOM 565 C ILE A 36 -9.584 -1.594 -5.319 1.00 6.36 C ATOM 566 O ILE A 36 -8.434 -1.578 -5.797 1.00 6.18 O ATOM 567 CB ILE A 36 -9.290 -2.687 -3.075 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.433 -3.992 -2.181 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.893 -1.514 -2.391 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.682 -3.974 -0.824 1.00 9.49 C ATOM 0 H ILE A 36 -9.018 -4.594 -4.493 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.020 -2.586 -4.396 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.212 -2.606 -3.216 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.492 -4.159 -1.985 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.077 -4.845 -2.759 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.465 -1.415 -1.393 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.686 -0.611 -2.966 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.971 -1.654 -2.311 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.852 -4.915 -0.301 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.614 -3.845 -1.001 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.051 -3.149 -0.215 1.00 9.49 H new ATOM 582 N PRO A 37 -10.424 -0.602 -5.561 1.00 8.65 N ATOM 583 CA PRO A 37 -10.063 0.660 -6.241 1.00 9.18 C ATOM 584 C PRO A 37 -8.962 1.427 -5.511 1.00 9.85 C ATOM 585 O PRO A 37 -9.145 1.584 -4.262 1.00 8.51 O ATOM 586 CB PRO A 37 -11.396 1.439 -6.222 1.00 11.42 C ATOM 587 CG PRO A 37 -12.444 0.329 -6.219 1.00 9.27 C ATOM 588 CD PRO A 37 -11.864 -0.868 -5.504 1.00 8.33 C ATOM 0 HA PRO A 37 -9.657 0.499 -7.240 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.479 2.075 -5.340 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.497 2.087 -7.093 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.353 0.666 -5.720 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.720 0.065 -7.240 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.223 -0.941 -4.477 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.124 -1.803 -6.000 1.00 8.33 H new ATOM 596 N PRO A 38 -7.883 1.975 -6.118 1.00 8.71 N ATOM 597 CA PRO A 38 -7.011 2.902 -5.473 1.00 9.08 C ATOM 598 C PRO A 38 -7.599 4.146 -4.904 1.00 9.28 C ATOM 599 O PRO A 38 -7.082 4.642 -3.877 1.00 6.50 O ATOM 600 CB PRO A 38 -6.009 3.171 -6.564 1.00 10.31 C ATOM 601 CG PRO A 38 -5.918 1.824 -7.285 1.00 10.81 C ATOM 602 CD PRO A 38 -7.370 1.282 -7.287 1.00 12.00 C ATOM 0 HA PRO A 38 -6.615 2.479 -4.550 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.343 3.965 -7.232 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.045 3.479 -6.160 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.538 1.943 -8.300 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.241 1.143 -6.769 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.912 1.538 -8.198 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.413 0.198 -7.184 1.00 12.00 H new ATOM 610 N ASP A 39 -8.708 4.659 -5.420 1.00 11.20 N ATOM 611 CA ASP A 39 -9.431 5.748 -4.857 1.00 14.96 C ATOM 612 C ASP A 39 -10.252 5.401 -3.646 1.00 13.99 C ATOM 613 O ASP A 39 -10.857 6.304 -3.025 1.00 13.75 O ATOM 614 CB ASP A 39 -10.438 6.375 -5.808 1.00 24.16 C ATOM 615 CG ASP A 39 -9.793 6.892 -7.055 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.068 7.914 -6.965 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.937 6.309 -8.141 1.00 35.55 O ATOM 0 H ASP A 39 -9.130 4.300 -6.277 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.616 6.427 -4.606 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.195 5.636 -6.072 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.953 7.192 -5.302 1.00 24.16 H new ATOM 622 N GLN A 40 -10.275 4.138 -3.293 1.00 11.60 N ATOM 623 CA GLN A 40 -10.954 3.682 -2.110 1.00 10.76 C ATOM 624 C GLN A 40 -9.958 3.245 -1.089 1.00 8.01 C ATOM 625 O GLN A 40 -10.329 3.109 0.062 1.00 8.96 O ATOM 626 CB GLN A 40 -11.837 2.452 -2.442 1.00 11.14 C ATOM 627 CG GLN A 40 -12.871 1.850 -1.448 1.00 14.85 C ATOM 628 CD GLN A 40 -13.528 0.563 -1.887 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.530 -0.423 -1.147 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.201 0.584 -3.070 1.00 18.16 N ATOM 0 H GLN A 40 -9.820 3.395 -3.824 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.563 4.504 -1.734 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.391 2.705 -3.346 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.154 1.644 -2.703 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.372 1.675 -0.495 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.650 2.591 -1.269 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.176 1.418 -3.656 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.730 -0.235 -3.370 1.00 18.16 H new ATOM 639 N GLN A 41 -8.672 3.040 -1.413 1.00 6.52 N ATOM 640 CA GLN A 41 -7.663 2.420 -0.554 1.00 3.87 C ATOM 641 C GLN A 41 -6.875 3.486 0.130 1.00 4.79 C ATOM 642 O GLN A 41 -6.706 4.566 -0.489 1.00 6.34 O ATOM 643 CB GLN A 41 -6.514 1.602 -1.289 1.00 4.20 C ATOM 644 CG GLN A 41 -7.048 0.339 -1.928 1.00 3.20 C ATOM 645 CD GLN A 41 -6.019 -0.226 -2.895 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.884 -0.495 -2.600 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.300 -0.512 -4.174 1.00 7.13 N ATOM 0 H GLN A 41 -8.295 3.315 -2.320 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.259 1.757 0.073 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.052 2.229 -2.052 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.734 1.346 -0.572 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.281 -0.398 -1.159 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.977 0.553 -2.456 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.232 -0.329 -4.545 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.581 -0.913 -4.777 1.00 7.13 H new ATOM 656 N ARG A 42 -6.435 3.248 1.369 1.00 5.73 N ATOM 657 CA ARG A 42 -5.412 4.078 2.016 1.00 6.97 C ATOM 658 C ARG A 42 -4.290 3.165 2.484 1.00 7.15 C ATOM 659 O ARG A 42 -4.552 2.130 3.054 1.00 7.33 O ATOM 660 CB ARG A 42 -5.909 4.818 3.279 1.00 13.23 C ATOM 661 CG ARG A 42 -6.802 6.016 2.958 1.00 21.27 C ATOM 662 CD ARG A 42 -7.319 6.632 4.296 1.00 26.14 C ATOM 663 NE ARG A 42 -8.092 7.912 4.068 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.902 8.532 4.922 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.128 8.084 6.171 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.597 9.599 4.557 1.00 36.39 N ATOM 0 H ARG A 42 -6.774 2.481 1.949 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.109 4.820 1.277 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.460 4.120 3.909 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.049 5.158 3.856 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.244 6.761 2.390 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.642 5.705 2.337 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.956 5.909 4.806 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.473 6.831 4.954 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.979 8.350 3.154 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.669 7.234 6.499 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.758 8.594 6.790 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.516 9.959 3.606 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.213 10.060 5.227 1.00 36.39 H new ATOM 680 N LEU A 43 -3.055 3.605 2.283 1.00 4.65 N ATOM 681 CA LEU A 43 -1.898 2.920 2.820 1.00 3.51 C ATOM 682 C LEU A 43 -1.269 3.660 3.987 1.00 5.56 C ATOM 683 O LEU A 43 -1.025 4.843 3.986 1.00 4.19 O ATOM 684 CB LEU A 43 -0.814 2.658 1.806 1.00 3.74 C ATOM 685 CG LEU A 43 -1.227 1.683 0.648 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.142 1.646 -0.400 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.568 0.252 1.019 1.00 6.41 C ATOM 0 H LEU A 43 -2.833 4.443 1.745 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.304 1.965 3.154 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.504 3.608 1.371 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.054 2.245 2.320 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.164 2.111 0.292 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.434 0.968 -1.202 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.005 2.646 -0.807 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.787 1.297 0.050 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.834 -0.304 0.120 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.705 -0.216 1.493 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.410 0.246 1.711 1.00 6.41 H new ATOM 699 N ILE A 44 -0.995 2.885 5.094 1.00 4.58 N ATOM 700 CA ILE A 44 -0.342 3.243 6.317 1.00 5.55 C ATOM 701 C ILE A 44 0.969 2.465 6.634 1.00 5.46 C ATOM 702 O ILE A 44 1.012 1.220 6.501 1.00 6.04 O ATOM 703 CB ILE A 44 -1.327 3.118 7.490 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.408 4.199 7.237 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.576 3.337 8.795 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.463 4.418 8.320 1.00 13.90 C ATOM 0 H ILE A 44 -1.272 1.903 5.108 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.025 4.276 6.177 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.792 2.135 7.563 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.899 5.148 7.068 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.925 3.945 6.312 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.268 3.250 9.632 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.209 2.587 8.893 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.130 4.331 8.795 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.151 5.203 8.005 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.017 3.493 8.481 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.975 4.715 9.248 1.00 13.90 H new ATOM 718 N PHE A 45 2.080 3.168 6.942 1.00 6.75 N ATOM 719 CA PHE A 45 3.347 2.500 7.236 1.00 4.70 C ATOM 720 C PHE A 45 3.942 3.509 8.201 1.00 6.34 C ATOM 721 O PHE A 45 3.745 4.738 8.081 1.00 5.45 O ATOM 722 CB PHE A 45 4.252 2.222 6.028 1.00 5.51 C ATOM 723 CG PHE A 45 5.712 1.843 6.406 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.899 0.438 6.673 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.809 2.665 6.274 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.226 -0.053 6.954 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.089 2.162 6.520 1.00 6.64 C ATOM 728 CZ PHE A 45 8.295 0.812 6.776 1.00 6.84 C ATOM 0 H PHE A 45 2.117 4.186 6.991 1.00 6.75 H new ATOM 0 HA PHE A 45 3.223 1.486 7.616 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.818 1.413 5.440 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.270 3.105 5.390 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.057 -0.238 6.663 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.680 3.696 5.981 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.383 -1.066 7.294 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.934 2.835 6.511 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.303 0.430 6.837 1.00 6.84 H new ATOM 738 N ALA A 46 4.750 3.017 9.186 1.00 6.53 N ATOM 739 CA ALA A 46 5.380 3.733 10.250 1.00 7.15 C ATOM 740 C ALA A 46 4.567 4.769 10.930 1.00 9.00 C ATOM 741 O ALA A 46 4.963 5.899 11.266 1.00 11.15 O ATOM 742 CB ALA A 46 6.716 4.293 9.653 1.00 8.99 C ATOM 0 H ALA A 46 4.973 2.022 9.226 1.00 6.53 H new ATOM 0 HA ALA A 46 5.550 3.044 11.077 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.250 4.854 10.420 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.337 3.465 9.311 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.492 4.950 8.812 1.00 8.99 H new ATOM 748 N GLY A 47 3.283 4.436 11.043 1.00 9.35 N ATOM 749 CA GLY A 47 2.340 5.241 11.726 1.00 11.68 C ATOM 750 C GLY A 47 1.780 6.389 10.945 1.00 11.14 C ATOM 751 O GLY A 47 0.945 7.148 11.468 1.00 13.93 O ATOM 0 H GLY A 47 2.888 3.582 10.648 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.514 4.607 12.048 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.810 5.634 12.628 1.00 11.68 H new ATOM 755 N LYS A 48 2.120 6.497 9.660 1.00 10.47 N ATOM 756 CA LYS A 48 1.586 7.532 8.779 1.00 8.82 C ATOM 757 C LYS A 48 1.005 7.060 7.474 1.00 7.68 C ATOM 758 O LYS A 48 1.342 5.989 6.941 1.00 6.47 O ATOM 759 CB LYS A 48 2.627 8.676 8.532 1.00 9.74 C ATOM 760 CG LYS A 48 3.959 8.129 7.989 1.00 14.14 C ATOM 761 CD LYS A 48 4.887 9.346 7.845 1.00 16.32 C ATOM 762 CE LYS A 48 6.056 8.948 6.880 1.00 20.04 C ATOM 763 NZ LYS A 48 6.986 10.099 6.781 1.00 23.92 N ATOM 0 H LYS A 48 2.776 5.866 9.201 1.00 10.47 H new ATOM 0 HA LYS A 48 0.733 7.919 9.337 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.215 9.396 7.825 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.807 9.211 9.464 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.385 7.392 8.669 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.815 7.632 7.030 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.338 10.200 7.448 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.279 9.644 8.817 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.578 8.069 7.257 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.665 8.689 5.896 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.772 9.857 6.144 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.478 10.925 6.405 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.362 10.324 7.724 1.00 23.92 H new ATOM 777 N GLN A 49 0.065 7.837 6.952 1.00 8.89 N ATOM 778 CA GLN A 49 -0.561 7.754 5.635 1.00 7.18 C ATOM 779 C GLN A 49 0.451 8.344 4.613 1.00 8.23 C ATOM 780 O GLN A 49 1.270 9.226 4.952 1.00 9.70 O ATOM 781 CB GLN A 49 -1.910 8.482 5.645 1.00 11.67 C ATOM 782 CG GLN A 49 -2.905 7.978 4.542 1.00 15.82 C ATOM 783 CD GLN A 49 -2.955 8.876 3.330 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.446 8.435 2.303 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.724 10.016 3.357 1.00 20.67 N ATOM 0 H GLN A 49 -0.316 8.616 7.490 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.786 6.726 5.352 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.373 8.358 6.624 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.738 9.549 5.507 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.614 6.975 4.231 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.904 7.902 4.971 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.124 10.340 4.237 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.894 10.537 2.497 1.00 20.67 H new ATOM 794 N LEU A 50 0.513 7.858 3.339 1.00 6.51 N ATOM 795 CA LEU A 50 1.672 7.976 2.423 1.00 7.41 C ATOM 796 C LEU A 50 1.386 8.744 1.143 1.00 8.27 C ATOM 797 O LEU A 50 0.356 8.632 0.522 1.00 8.34 O ATOM 798 CB LEU A 50 2.322 6.579 2.094 1.00 7.13 C ATOM 799 CG LEU A 50 2.638 5.606 3.262 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.015 4.186 2.861 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.821 6.154 4.105 1.00 9.11 C ATOM 0 H LEU A 50 -0.269 7.359 2.915 1.00 6.51 H new ATOM 0 HA LEU A 50 2.393 8.572 2.983 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.657 6.060 1.403 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.253 6.766 1.560 1.00 7.13 H new ATOM 0 HG LEU A 50 1.699 5.551 3.813 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.214 3.596 3.756 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.194 3.735 2.304 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.908 4.209 2.236 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.036 5.465 4.922 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.703 6.253 3.473 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.556 7.129 4.513 1.00 9.11 H new ATOM 813 N GLU A 51 2.382 9.505 0.660 1.00 9.43 N ATOM 814 CA GLU A 51 2.325 10.243 -0.520 1.00 11.90 C ATOM 815 C GLU A 51 2.362 9.414 -1.779 1.00 11.49 C ATOM 816 O GLU A 51 3.308 8.732 -2.098 1.00 9.88 O ATOM 817 CB GLU A 51 3.430 11.282 -0.671 1.00 16.56 C ATOM 818 CG GLU A 51 3.703 12.192 0.512 1.00 26.06 C ATOM 819 CD GLU A 51 4.745 13.230 0.205 1.00 29.86 C ATOM 820 OE1 GLU A 51 4.602 13.983 -0.818 1.00 32.13 O ATOM 821 OE2 GLU A 51 5.733 13.370 0.983 1.00 33.44 O ATOM 0 H GLU A 51 3.277 9.597 1.140 1.00 9.43 H new ATOM 0 HA GLU A 51 1.356 10.731 -0.413 1.00 11.90 H new ATOM 0 HB2 GLU A 51 4.354 10.757 -0.912 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.187 11.909 -1.529 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.778 12.686 0.809 1.00 26.06 H new ATOM 0 HG3 GLU A 51 4.030 11.592 1.361 1.00 26.06 H new ATOM 828 N ASP A 52 1.409 9.551 -2.669 1.00 12.71 N ATOM 829 CA ASP A 52 1.134 8.697 -3.800 1.00 16.56 C ATOM 830 C ASP A 52 2.305 8.555 -4.817 1.00 15.83 C ATOM 831 O ASP A 52 2.546 7.496 -5.321 1.00 17.21 O ATOM 832 CB ASP A 52 -0.063 9.366 -4.501 1.00 21.05 C ATOM 833 CG ASP A 52 -1.306 9.407 -3.599 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.947 8.373 -3.301 1.00 28.37 O ATOM 835 OD2 ASP A 52 -1.595 10.524 -3.164 1.00 25.82 O ATOM 0 H ASP A 52 0.751 10.328 -2.616 1.00 12.71 H new ATOM 0 HA ASP A 52 0.955 7.681 -3.447 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.208 10.381 -4.792 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.297 8.823 -5.417 1.00 21.05 H new ATOM 840 N GLY A 53 2.939 9.696 -5.123 1.00 15.00 N ATOM 841 CA GLY A 53 4.057 9.872 -6.044 1.00 11.77 C ATOM 842 C GLY A 53 5.408 9.608 -5.407 1.00 11.10 C ATOM 843 O GLY A 53 6.383 10.048 -5.907 1.00 11.25 O ATOM 0 H GLY A 53 2.659 10.581 -4.699 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.927 9.202 -6.894 1.00 11.77 H new ATOM 0 HA3 GLY A 53 4.040 10.890 -6.434 1.00 11.77 H new ATOM 847 N ARG A 54 5.419 9.023 -4.178 1.00 8.53 N ATOM 848 CA ARG A 54 6.638 8.706 -3.513 1.00 9.05 C ATOM 849 C ARG A 54 7.003 7.268 -3.724 1.00 8.96 C ATOM 850 O ARG A 54 6.160 6.372 -3.861 1.00 11.60 O ATOM 851 CB ARG A 54 6.632 9.037 -1.959 1.00 7.97 C ATOM 852 CG ARG A 54 8.013 9.139 -1.225 1.00 9.62 C ATOM 853 CD ARG A 54 8.708 10.521 -1.280 1.00 12.20 C ATOM 854 NE ARG A 54 8.124 11.363 -0.217 1.00 18.23 N ATOM 855 CZ ARG A 54 8.440 11.334 1.087 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.632 10.750 1.436 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.720 11.965 1.962 1.00 23.38 N ATOM 0 H ARG A 54 4.578 8.775 -3.657 1.00 8.53 H new ATOM 0 HA ARG A 54 7.391 9.352 -3.965 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.109 9.983 -1.821 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.042 8.271 -1.456 1.00 7.97 H new ATOM 0 HG2 ARG A 54 7.867 8.869 -0.179 1.00 9.62 H new ATOM 0 HG3 ARG A 54 8.687 8.398 -1.655 1.00 9.62 H new ATOM 0 HD2 ARG A 54 9.783 10.414 -1.135 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.563 10.983 -2.256 1.00 12.20 H new ATOM 0 HE ARG A 54 7.410 12.033 -0.502 1.00 18.23 H new ATOM 0 HH11 ARG A 54 10.239 10.359 0.715 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.911 10.707 2.416 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.900 12.493 1.663 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.973 11.933 2.949 1.00 23.38 H new ATOM 871 N THR A 55 8.235 6.915 -3.596 1.00 9.05 N ATOM 872 CA THR A 55 8.731 5.602 -3.825 1.00 9.03 C ATOM 873 C THR A 55 8.991 4.829 -2.572 1.00 8.15 C ATOM 874 O THR A 55 9.248 5.403 -1.501 1.00 5.91 O ATOM 875 CB THR A 55 10.027 5.686 -4.711 1.00 11.15 C ATOM 876 OG1 THR A 55 11.131 6.424 -4.098 1.00 11.95 O ATOM 877 CG2 THR A 55 9.686 6.242 -6.130 1.00 11.71 C ATOM 0 H THR A 55 8.963 7.571 -3.313 1.00 9.05 H new ATOM 0 HA THR A 55 7.951 5.050 -4.348 1.00 9.03 H new ATOM 0 HB THR A 55 10.392 4.663 -4.805 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.820 5.794 -3.800 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.595 6.293 -6.729 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.968 5.582 -6.616 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.257 7.240 -6.036 1.00 11.71 H new ATOM 885 N LEU A 56 8.898 3.444 -2.602 1.00 6.91 N ATOM 886 CA LEU A 56 9.183 2.538 -1.507 1.00 8.29 C ATOM 887 C LEU A 56 10.549 2.672 -0.868 1.00 8.05 C ATOM 888 O LEU A 56 10.673 2.553 0.361 1.00 10.17 O ATOM 889 CB LEU A 56 8.967 1.094 -1.983 1.00 6.60 C ATOM 890 CG LEU A 56 7.551 0.496 -2.321 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.687 -0.889 -2.989 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.542 0.613 -1.175 1.00 8.64 C ATOM 0 H LEU A 56 8.607 2.948 -3.444 1.00 6.91 H new ATOM 0 HA LEU A 56 8.488 2.817 -0.715 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.574 0.972 -2.880 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.398 0.450 -1.216 1.00 6.60 H new ATOM 0 HG LEU A 56 7.082 1.125 -3.078 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.696 -1.283 -3.214 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.257 -0.793 -3.913 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.204 -1.570 -2.313 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.590 0.180 -1.483 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.919 0.079 -0.303 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.398 1.664 -0.923 1.00 8.64 H new ATOM 904 N SER A 57 11.504 3.060 -1.717 1.00 8.92 N ATOM 905 CA SER A 57 12.857 3.407 -1.307 1.00 9.00 C ATOM 906 C SER A 57 12.907 4.602 -0.325 1.00 9.44 C ATOM 907 O SER A 57 13.676 4.542 0.610 1.00 10.91 O ATOM 908 CB SER A 57 13.751 3.704 -2.571 1.00 10.32 C ATOM 909 OG SER A 57 13.170 4.668 -3.467 1.00 13.59 O ATOM 0 H SER A 57 11.352 3.141 -2.722 1.00 8.92 H new ATOM 0 HA SER A 57 13.251 2.544 -0.771 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.725 4.066 -2.241 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.923 2.774 -3.112 1.00 10.32 H new ATOM 0 HG SER A 57 13.770 4.810 -4.228 1.00 13.59 H new ATOM 915 N ASP A 58 12.073 5.646 -0.477 1.00 9.11 N ATOM 916 CA ASP A 58 12.277 6.867 0.271 1.00 7.91 C ATOM 917 C ASP A 58 11.561 6.914 1.573 1.00 9.12 C ATOM 918 O ASP A 58 11.739 7.852 2.312 1.00 8.61 O ATOM 919 CB ASP A 58 11.793 8.075 -0.616 1.00 8.41 C ATOM 920 CG ASP A 58 12.539 9.354 -0.301 1.00 11.50 C ATOM 921 OD1 ASP A 58 13.779 9.387 -0.346 1.00 11.70 O ATOM 922 OD2 ASP A 58 11.862 10.402 -0.020 1.00 10.05 O ATOM 0 H ASP A 58 11.268 5.656 -1.104 1.00 9.11 H new ATOM 0 HA ASP A 58 13.340 6.919 0.505 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.929 7.827 -1.669 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.726 8.232 -0.461 1.00 8.41 H new ATOM 927 N TYR A 59 10.853 5.816 1.922 1.00 7.97 N ATOM 928 CA TYR A 59 10.222 5.669 3.219 1.00 8.45 C ATOM 929 C TYR A 59 11.014 4.595 4.002 1.00 10.98 C ATOM 930 O TYR A 59 10.650 4.337 5.163 1.00 12.95 O ATOM 931 CB TYR A 59 8.743 5.185 3.094 1.00 7.94 C ATOM 932 CG TYR A 59 7.835 6.279 2.685 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.784 7.426 3.469 1.00 4.59 C ATOM 934 CD2 TYR A 59 7.026 6.193 1.556 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.874 8.484 3.259 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.053 7.194 1.304 1.00 6.52 C ATOM 937 CZ TYR A 59 6.019 8.331 2.169 1.00 6.76 C ATOM 938 OH TYR A 59 5.006 9.290 1.987 1.00 7.63 O ATOM 0 H TYR A 59 10.713 5.018 1.302 1.00 7.97 H new ATOM 0 HA TYR A 59 10.222 6.636 3.721 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.687 4.376 2.366 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.413 4.778 4.050 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.483 7.513 4.288 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.139 5.365 0.872 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.842 9.353 3.899 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.358 7.100 0.483 1.00 6.52 H new ATOM 0 HH TYR A 59 5.197 10.077 2.539 1.00 7.63 H new ATOM 948 N ASN A 60 12.054 4.014 3.447 1.00 12.38 N ATOM 949 CA ASN A 60 12.852 2.917 4.025 1.00 13.94 C ATOM 950 C ASN A 60 12.080 1.577 4.093 1.00 14.16 C ATOM 951 O ASN A 60 12.217 0.852 5.082 1.00 14.26 O ATOM 952 CB ASN A 60 13.603 3.288 5.348 1.00 19.23 C ATOM 953 CG ASN A 60 14.506 4.467 4.999 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.723 4.827 3.839 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.011 5.103 6.055 1.00 24.09 N ATOM 0 H ASN A 60 12.398 4.298 2.530 1.00 12.38 H new ATOM 0 HA ASN A 60 13.658 2.751 3.310 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.898 3.555 6.135 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.187 2.444 5.716 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.603 5.923 5.921 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.805 4.770 6.997 1.00 24.09 H new ATOM 962 N ILE A 61 11.307 1.269 3.032 1.00 11.08 N ATOM 963 CA ILE A 61 10.627 -0.001 2.922 1.00 11.78 C ATOM 964 C ILE A 61 11.607 -1.021 2.464 1.00 13.74 C ATOM 965 O ILE A 61 12.552 -0.708 1.758 1.00 14.60 O ATOM 966 CB ILE A 61 9.369 0.079 2.043 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.445 1.152 2.764 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.725 -1.299 2.031 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.311 1.638 1.984 1.00 11.42 C ATOM 0 H ILE A 61 11.149 1.898 2.245 1.00 11.08 H new ATOM 0 HA ILE A 61 10.249 -0.299 3.900 1.00 11.78 H new ATOM 0 HB ILE A 61 9.558 0.366 1.009 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.066 0.715 3.688 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.062 2.006 3.044 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.827 -1.276 1.414 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.427 -2.025 1.622 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.459 -1.585 3.049 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.750 2.364 2.572 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.673 2.112 1.072 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.662 0.801 1.725 1.00 11.42 H new ATOM 981 N GLN A 62 11.508 -2.234 2.952 1.00 13.97 N ATOM 982 CA GLN A 62 12.405 -3.367 2.807 1.00 15.52 C ATOM 983 C GLN A 62 11.622 -4.607 2.409 1.00 13.94 C ATOM 984 O GLN A 62 10.383 -4.627 2.363 1.00 12.15 O ATOM 985 CB GLN A 62 13.212 -3.598 4.157 1.00 19.53 C ATOM 986 CG GLN A 62 14.026 -2.301 4.497 1.00 26.38 C ATOM 987 CD GLN A 62 15.112 -2.640 5.493 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.908 -2.674 6.737 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.324 -2.852 4.984 1.00 32.71 N ATOM 0 H GLN A 62 10.704 -2.484 3.528 1.00 13.97 H new ATOM 0 HA GLN A 62 13.125 -3.158 2.016 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.525 -3.835 4.970 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.886 -4.448 4.051 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.465 -1.885 3.590 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.364 -1.539 4.909 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.466 -2.820 3.974 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.110 -3.047 5.604 1.00 32.71 H new ATOM 998 N LYS A 63 12.334 -5.651 1.936 1.00 11.73 N ATOM 999 CA LYS A 63 11.705 -6.961 1.726 1.00 11.97 C ATOM 1000 C LYS A 63 10.942 -7.550 2.884 1.00 10.41 C ATOM 1001 O LYS A 63 11.402 -7.582 4.011 1.00 9.59 O ATOM 1002 CB LYS A 63 12.761 -8.112 1.283 1.00 13.73 C ATOM 1003 CG LYS A 63 13.840 -8.529 2.327 1.00 16.98 C ATOM 1004 CD LYS A 63 14.484 -9.782 1.800 1.00 20.19 C ATOM 1005 CE LYS A 63 15.055 -9.703 0.366 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.683 -10.967 0.107 1.00 25.97 N ATOM 0 H LYS A 63 13.325 -5.610 1.698 1.00 11.73 H new ATOM 0 HA LYS A 63 10.998 -6.705 0.937 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.195 -9.002 1.008 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.275 -7.771 0.384 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.579 -7.739 2.458 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.387 -8.706 3.303 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.292 -10.063 2.476 1.00 20.19 H new ATOM 0 HD3 LYS A 63 13.748 -10.585 1.832 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.263 -9.508 -0.357 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.773 -8.888 0.279 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.086 -10.965 -0.852 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.441 -11.126 0.801 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.978 -11.727 0.184 1.00 25.97 H new ATOM 1020 N GLU A 64 9.710 -7.889 2.511 1.00 10.04 N ATOM 1021 CA GLU A 64 8.749 -8.582 3.325 1.00 10.94 C ATOM 1022 C GLU A 64 8.088 -7.667 4.336 1.00 9.74 C ATOM 1023 O GLU A 64 7.107 -8.000 5.023 1.00 9.42 O ATOM 1024 CB GLU A 64 9.344 -9.832 4.046 1.00 18.31 C ATOM 1025 CG GLU A 64 9.925 -10.927 3.085 1.00 24.16 C ATOM 1026 CD GLU A 64 10.863 -11.956 3.733 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.192 -11.906 4.931 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.217 -12.920 3.009 1.00 31.72 O ATOM 0 H GLU A 64 9.349 -7.670 1.582 1.00 10.04 H new ATOM 0 HA GLU A 64 7.989 -8.935 2.628 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.134 -9.503 4.721 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.566 -10.284 4.662 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.092 -11.461 2.627 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.465 -10.428 2.280 1.00 24.16 H new ATOM 1035 N SER A 65 8.505 -6.387 4.390 1.00 6.85 N ATOM 1036 CA SER A 65 7.963 -5.420 5.381 1.00 6.90 C ATOM 1037 C SER A 65 6.450 -5.063 5.280 1.00 4.72 C ATOM 1038 O SER A 65 5.851 -5.053 4.190 1.00 3.91 O ATOM 1039 CB SER A 65 8.790 -4.123 5.303 1.00 7.28 C ATOM 1040 OG SER A 65 8.556 -3.214 6.413 1.00 10.56 O ATOM 0 H SER A 65 9.210 -5.995 3.766 1.00 6.85 H new ATOM 0 HA SER A 65 8.048 -5.935 6.338 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.849 -4.379 5.271 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.558 -3.610 4.370 1.00 7.28 H new ATOM 0 HG SER A 65 8.228 -2.357 6.070 1.00 10.56 H new ATOM 1046 N THR A 66 5.788 -4.813 6.409 1.00 4.48 N ATOM 1047 CA THR A 66 4.263 -4.814 6.496 1.00 3.80 C ATOM 1048 C THR A 66 3.720 -3.449 6.315 1.00 4.60 C ATOM 1049 O THR A 66 3.823 -2.574 7.143 1.00 5.33 O ATOM 1050 CB THR A 66 3.845 -5.231 7.874 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.213 -6.625 8.204 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.281 -5.153 7.978 1.00 3.40 C ATOM 0 H THR A 66 6.250 -4.604 7.294 1.00 4.48 H new ATOM 0 HA THR A 66 3.894 -5.488 5.723 1.00 3.80 H new ATOM 0 HB THR A 66 4.358 -4.559 8.562 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.915 -6.835 9.114 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.967 -5.455 8.977 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.954 -4.131 7.788 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.834 -5.820 7.241 1.00 3.40 H new ATOM 1060 N LEU A 67 3.013 -3.205 5.193 1.00 4.17 N ATOM 1061 CA LEU A 67 2.111 -2.079 5.080 1.00 3.85 C ATOM 1062 C LEU A 67 0.752 -2.404 5.653 1.00 3.80 C ATOM 1063 O LEU A 67 0.171 -3.522 5.438 1.00 5.54 O ATOM 1064 CB LEU A 67 1.876 -1.646 3.656 1.00 7.18 C ATOM 1065 CG LEU A 67 3.061 -1.433 2.752 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.505 -0.984 1.419 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.099 -0.445 3.249 1.00 11.66 C ATOM 0 H LEU A 67 3.062 -3.786 4.356 1.00 4.17 H new ATOM 0 HA LEU A 67 2.602 -1.278 5.633 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.234 -2.392 3.187 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.312 -0.714 3.685 1.00 7.18 H new ATOM 0 HG LEU A 67 3.609 -2.373 2.697 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.325 -0.814 0.721 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.845 -1.755 1.022 1.00 8.12 H new ATOM 0 HD13 LEU A 67 1.944 -0.059 1.552 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.907 -0.369 2.521 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.636 0.533 3.381 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.501 -0.788 4.202 1.00 11.66 H new ATOM 1079 N HIS A 68 0.169 -1.519 6.503 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.203 -1.710 6.960 1.00 4.17 C ATOM 1081 C HIS A 68 -2.036 -1.009 5.835 1.00 5.32 C ATOM 1082 O HIS A 68 -1.788 0.080 5.327 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.373 -1.129 8.311 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.367 -1.731 9.261 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.860 -1.138 9.536 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.329 -3.030 9.671 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.554 -2.094 10.228 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.880 -3.257 10.351 1.00 16.30 N ATOM 0 H HIS A 68 0.630 -0.687 6.871 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.516 -2.746 7.087 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.245 -0.047 8.270 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.384 -1.316 8.672 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.102 -3.765 9.501 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.542 -1.934 10.635 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.180 -4.107 10.829 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.113 -1.649 5.394 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.037 -1.208 4.369 1.00 3.97 C ATOM 1098 C LEU A 69 -5.390 -0.976 5.019 1.00 5.07 C ATOM 1099 O LEU A 69 -5.970 -1.889 5.656 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.220 -2.314 3.198 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.361 -2.144 2.205 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.102 -1.013 1.179 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.688 -3.481 1.523 1.00 9.96 C ATOM 0 H LEU A 69 -3.378 -2.557 5.776 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.638 -0.299 3.919 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.290 -2.351 2.630 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.340 -3.286 3.677 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.238 -1.830 2.771 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.949 -0.939 0.497 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.976 -0.067 1.705 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.198 -1.236 0.612 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.506 -3.339 0.817 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.808 -3.843 0.991 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.982 -4.212 2.277 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.957 0.251 4.836 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.205 0.587 5.537 1.00 6.26 C ATOM 1117 C VAL A 70 -8.045 1.255 4.471 1.00 9.22 C ATOM 1118 O VAL A 70 -7.491 1.813 3.544 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.977 1.455 6.812 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.383 0.648 7.978 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.090 2.591 6.480 1.00 8.54 C ATOM 0 H VAL A 70 -5.582 0.985 4.235 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.705 -0.289 5.951 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.951 1.818 7.141 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.245 1.301 8.840 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.062 -0.163 8.242 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.420 0.233 7.680 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.929 3.199 7.370 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.133 2.213 6.121 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.553 3.200 5.703 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.406 1.078 4.526 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.233 1.714 3.533 1.00 16.06 C ATOM 1133 C LEU A 71 -10.641 3.190 3.844 1.00 18.09 C ATOM 1134 O LEU A 71 -10.832 3.618 5.007 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.430 0.907 3.236 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.043 -0.466 2.489 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.382 -1.252 2.375 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.437 -0.243 1.080 1.00 19.57 C ATOM 0 H LEU A 71 -9.901 0.523 5.224 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.593 1.771 2.652 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.958 0.682 4.163 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.113 1.483 2.611 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.275 -0.998 3.050 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.204 -2.204 1.875 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.782 -1.435 3.372 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.099 -0.668 1.798 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.198 -1.207 0.630 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.158 0.281 0.453 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.528 0.353 1.165 1.00 19.57 H new