USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 130:sc= 0.502 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.174 (180deg=-0.3) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.33 (180deg=1.07) USER MOD Single : A 2 GLN : amide:sc= -0.119 K(o=-0.12,f=-3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0.831 (180deg=0.793) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -98:sc= 0.704 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= 1.31 (180deg=-0.208) USER MOD Single : A 31 GLN : amide:sc= -0.34 X(o=-0.34,f=0) 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) USER MOD Single : A 41 GLN : amide:sc= 0.12 K(o=0.12,f=-3.8!) 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=-0.72) USER MOD Single : A 55 THR OG1 : rot -62:sc= 0.813 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.419 USER MOD Single : A 60 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.24) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 65 SER OG : rot 99:sc= 0.316 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.137 -4.702 -3.808 1.00 0.78 N ATOM 2 CA MET A 1 12.876 -5.379 -2.519 1.00 0.70 C ATOM 3 C MET A 1 11.439 -5.765 -2.421 1.00 0.62 C ATOM 4 O MET A 1 10.620 -5.370 -3.249 1.00 0.68 O ATOM 5 CB MET A 1 13.275 -4.373 -1.427 1.00 0.75 C ATOM 6 CG MET A 1 12.494 -3.057 -1.408 1.00 0.79 C ATOM 7 SD MET A 1 12.747 -2.041 0.079 1.00 1.10 S ATOM 8 CE MET A 1 11.234 -1.084 -0.221 1.00 0.84 C ATOM 0 H1 MET A 1 13.816 -3.928 -3.662 1.00 0.78 H new ATOM 0 H2 MET A 1 13.532 -5.385 -4.485 1.00 0.78 H new ATOM 0 H3 MET A 1 12.247 -4.316 -4.184 1.00 0.78 H new ATOM 0 HA MET A 1 13.447 -6.302 -2.416 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.158 -4.855 -0.457 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.334 -4.142 -1.543 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.775 -2.471 -2.283 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.431 -3.280 -1.502 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.236 -0.194 0.408 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.193 -0.788 -1.269 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.364 -1.695 0.018 1.00 0.84 H new ATOM 20 N GLN A 2 11.062 -6.471 -1.340 1.00 0.59 N ATOM 21 CA GLN A 2 9.717 -6.938 -1.210 1.00 0.56 C ATOM 22 C GLN A 2 8.954 -6.183 -0.178 1.00 0.50 C ATOM 23 O GLN A 2 9.545 -5.754 0.812 1.00 0.60 O ATOM 24 CB GLN A 2 9.573 -8.460 -1.040 1.00 0.71 C ATOM 25 CG GLN A 2 9.632 -9.002 0.389 1.00 1.15 C ATOM 26 CD GLN A 2 9.711 -10.520 0.472 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.784 -11.267 0.164 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.929 -11.086 0.684 1.00 1.72 N ATOM 0 H GLN A 2 11.679 -6.716 -0.566 1.00 0.59 H new ATOM 0 HA GLN A 2 9.262 -6.726 -2.178 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.622 -8.763 -1.479 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.360 -8.943 -1.619 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.499 -8.575 0.893 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.749 -8.664 0.932 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.725 -10.502 0.941 1.00 1.72 H new ATOM 0 HE22 GLN A 2 11.047 -12.094 0.586 1.00 1.72 H new ATOM 37 N ILE A 3 7.636 -6.013 -0.386 1.00 0.44 N ATOM 38 CA ILE A 3 6.773 -5.437 0.599 1.00 0.42 C ATOM 39 C ILE A 3 5.565 -6.306 0.659 1.00 0.40 C ATOM 40 O ILE A 3 5.217 -7.068 -0.241 1.00 0.50 O ATOM 41 CB ILE A 3 6.472 -3.989 0.348 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.904 -3.900 -1.079 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.743 -3.144 0.541 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.086 -2.622 -1.260 1.00 0.72 C ATOM 0 H ILE A 3 7.162 -6.279 -1.249 1.00 0.44 H new ATOM 0 HA ILE A 3 7.261 -5.412 1.573 1.00 0.42 H new ATOM 0 HB ILE A 3 5.742 -3.591 1.053 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.720 -3.920 -1.802 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.278 -4.769 -1.281 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.514 -2.095 0.356 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.107 -3.262 1.562 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.510 -3.476 -0.158 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.695 -2.581 -2.277 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.257 -2.617 -0.552 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.722 -1.755 -1.081 1.00 0.72 H new ATOM 56 N PHE A 4 4.910 -6.331 1.833 1.00 0.37 N ATOM 57 CA PHE A 4 3.716 -7.058 2.138 1.00 0.38 C ATOM 58 C PHE A 4 2.510 -6.205 2.324 1.00 0.39 C ATOM 59 O PHE A 4 2.538 -5.253 3.103 1.00 0.60 O ATOM 60 CB PHE A 4 3.898 -7.830 3.456 1.00 0.45 C ATOM 61 CG PHE A 4 5.039 -8.785 3.388 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.080 -9.829 2.494 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.020 -8.692 4.347 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.000 -10.842 2.620 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.009 -9.647 4.359 1.00 1.40 C ATOM 66 CZ PHE A 4 7.022 -10.748 3.536 1.00 0.85 C ATOM 0 H PHE A 4 5.245 -5.798 2.635 1.00 0.37 H new ATOM 0 HA PHE A 4 3.556 -7.707 1.277 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.063 -7.124 4.270 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.982 -8.374 3.687 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.375 -9.853 1.676 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.014 -7.891 5.071 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.920 -11.719 1.995 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.824 -9.525 5.057 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.794 -11.500 3.605 1.00 0.85 H new ATOM 76 N VAL A 5 1.333 -6.520 1.753 1.00 0.35 N ATOM 77 CA VAL A 5 0.126 -5.769 1.914 1.00 0.35 C ATOM 78 C VAL A 5 -0.815 -6.655 2.655 1.00 0.35 C ATOM 79 O VAL A 5 -1.396 -7.581 2.091 1.00 0.46 O ATOM 80 CB VAL A 5 -0.373 -5.345 0.565 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.615 -4.441 0.637 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.712 -4.576 -0.210 1.00 0.56 C ATOM 0 H VAL A 5 1.218 -7.336 1.152 1.00 0.35 H new ATOM 0 HA VAL A 5 0.259 -4.848 2.481 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.638 -6.271 0.055 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.926 -4.169 -0.372 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.425 -4.974 1.135 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.376 -3.538 1.199 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.323 -4.281 -1.184 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.998 -3.686 0.351 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.584 -5.215 -0.346 1.00 0.56 H new ATOM 92 N LYS A 6 -1.113 -6.345 3.929 1.00 0.36 N ATOM 93 CA LYS A 6 -2.037 -7.171 4.642 1.00 0.39 C ATOM 94 C LYS A 6 -3.429 -6.650 4.552 1.00 0.46 C ATOM 95 O LYS A 6 -3.692 -5.481 4.831 1.00 0.53 O ATOM 96 CB LYS A 6 -1.614 -7.227 6.120 1.00 0.54 C ATOM 97 CG LYS A 6 -2.352 -8.355 6.844 1.00 1.22 C ATOM 98 CD LYS A 6 -2.033 -9.755 6.317 1.00 1.37 C ATOM 99 CE LYS A 6 -2.933 -10.875 6.843 1.00 1.93 C ATOM 100 NZ LYS A 6 -3.195 -11.080 8.286 1.00 2.09 N ATOM 0 H LYS A 6 -0.732 -5.555 4.449 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.022 -8.165 4.194 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.538 -7.384 6.191 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.830 -6.274 6.603 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.104 -8.313 7.905 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.425 -8.184 6.760 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.100 -9.739 5.229 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.000 -9.993 6.570 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -3.904 -10.743 6.366 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.518 -11.810 6.467 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -3.830 -11.894 8.411 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -2.298 -11.262 8.779 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -3.641 -10.228 8.682 1.00 2.09 H new ATOM 114 N THR A 7 -4.444 -7.469 4.223 1.00 0.58 N ATOM 115 CA THR A 7 -5.791 -7.009 4.092 1.00 0.78 C ATOM 116 C THR A 7 -6.568 -7.056 5.362 1.00 0.94 C ATOM 117 O THR A 7 -6.061 -7.432 6.418 1.00 0.99 O ATOM 118 CB THR A 7 -6.517 -7.684 2.965 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.847 -9.053 3.150 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.721 -7.621 1.651 1.00 0.92 C ATOM 0 H THR A 7 -4.327 -8.467 4.045 1.00 0.58 H new ATOM 0 HA THR A 7 -5.708 -5.952 3.838 1.00 0.78 H new ATOM 0 HB THR A 7 -7.445 -7.113 2.933 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.796 -9.191 2.950 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.282 -8.121 0.861 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.556 -6.579 1.375 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.760 -8.118 1.784 1.00 0.92 H new ATOM 128 N LEU A 8 -7.856 -6.672 5.351 1.00 1.17 N ATOM 129 CA LEU A 8 -8.742 -6.832 6.463 1.00 1.39 C ATOM 130 C LEU A 8 -9.320 -8.205 6.404 1.00 1.44 C ATOM 131 O LEU A 8 -9.378 -8.893 7.423 1.00 1.60 O ATOM 132 CB LEU A 8 -10.008 -5.960 6.542 1.00 1.66 C ATOM 133 CG LEU A 8 -10.987 -6.189 7.706 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.314 -6.121 9.087 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.219 -5.280 7.557 1.00 2.43 C ATOM 0 H LEU A 8 -8.297 -6.235 4.541 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.096 -6.567 7.300 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.691 -4.918 6.576 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.561 -6.094 5.613 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.345 -7.217 7.648 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.060 -6.291 9.864 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.540 -6.886 9.153 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.864 -5.138 9.225 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.902 -5.454 8.388 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.904 -4.237 7.559 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.725 -5.504 6.618 1.00 2.43 H new ATOM 147 N THR A 9 -9.552 -8.769 5.206 1.00 1.41 N ATOM 148 CA THR A 9 -10.206 -10.019 4.970 1.00 1.51 C ATOM 149 C THR A 9 -9.338 -11.123 5.469 1.00 1.37 C ATOM 150 O THR A 9 -9.824 -12.207 5.785 1.00 1.62 O ATOM 151 CB THR A 9 -10.750 -10.237 3.590 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.734 -10.097 2.608 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.855 -9.203 3.313 1.00 2.08 C ATOM 0 H THR A 9 -9.261 -8.318 4.339 1.00 1.41 H new ATOM 0 HA THR A 9 -11.132 -10.002 5.545 1.00 1.51 H new ATOM 0 HB THR A 9 -11.148 -11.250 3.536 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.116 -10.246 1.718 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.254 -9.357 2.311 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.655 -9.321 4.044 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.440 -8.198 3.388 1.00 2.08 H new ATOM 161 N GLY A 10 -8.001 -11.006 5.379 1.00 1.18 N ATOM 162 CA GLY A 10 -7.076 -11.988 5.856 1.00 1.22 C ATOM 163 C GLY A 10 -6.195 -12.542 4.790 1.00 0.99 C ATOM 164 O GLY A 10 -6.090 -13.767 4.777 1.00 1.31 O ATOM 0 H GLY A 10 -7.546 -10.196 4.958 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.456 -11.544 6.634 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.631 -12.804 6.318 1.00 1.22 H new ATOM 168 N LYS A 11 -5.631 -11.700 3.906 1.00 0.73 N ATOM 169 CA LYS A 11 -4.801 -12.072 2.804 1.00 0.60 C ATOM 170 C LYS A 11 -3.518 -11.313 2.826 1.00 0.51 C ATOM 171 O LYS A 11 -3.608 -10.189 3.319 1.00 0.63 O ATOM 172 CB LYS A 11 -5.400 -11.705 1.435 1.00 0.75 C ATOM 173 CG LYS A 11 -4.716 -12.331 0.218 1.00 0.87 C ATOM 174 CD LYS A 11 -5.342 -11.894 -1.108 1.00 1.04 C ATOM 175 CE LYS A 11 -4.483 -12.207 -2.334 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.304 -12.110 -3.561 1.00 1.40 N ATOM 0 H LYS A 11 -5.765 -10.691 3.967 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.684 -13.150 2.915 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.450 -11.998 1.429 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.371 -10.621 1.326 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.660 -12.060 0.222 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.767 -13.417 0.298 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.309 -12.384 -1.220 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.530 -10.821 -1.073 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.646 -11.511 -2.390 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.060 -13.208 -2.247 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.743 -12.422 -4.379 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.144 -12.716 -3.466 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.603 -11.124 -3.702 1.00 1.40 H new ATOM 190 N THR A 12 -2.343 -11.783 2.372 1.00 0.49 N ATOM 191 CA THR A 12 -1.168 -10.969 2.373 1.00 0.48 C ATOM 192 C THR A 12 -0.741 -10.967 0.945 1.00 0.52 C ATOM 193 O THR A 12 -0.600 -11.995 0.283 1.00 0.72 O ATOM 194 CB THR A 12 -0.048 -11.554 3.182 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.327 -11.678 4.568 1.00 0.77 O ATOM 196 CG2 THR A 12 1.298 -10.824 3.048 1.00 0.78 C ATOM 0 H THR A 12 -2.207 -12.725 2.005 1.00 0.49 H new ATOM 0 HA THR A 12 -1.384 -9.990 2.802 1.00 0.48 H new ATOM 0 HB THR A 12 0.038 -12.545 2.736 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.448 -12.067 5.024 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.044 -11.320 3.669 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.621 -10.844 2.007 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.185 -9.790 3.373 1.00 0.78 H new ATOM 204 N ILE A 13 -0.625 -9.811 0.269 1.00 0.48 N ATOM 205 CA ILE A 13 -0.206 -9.707 -1.093 1.00 0.55 C ATOM 206 C ILE A 13 1.242 -9.364 -1.009 1.00 0.51 C ATOM 207 O ILE A 13 1.592 -8.406 -0.321 1.00 0.56 O ATOM 208 CB ILE A 13 -0.822 -8.602 -1.899 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.256 -8.372 -1.391 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.808 -9.058 -3.367 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.823 -7.115 -2.050 1.00 1.55 C ATOM 0 H ILE A 13 -0.833 -8.907 0.692 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.485 -10.639 -1.585 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.277 -7.662 -1.806 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.881 -9.234 -1.625 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.258 -8.262 -0.307 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.249 -8.282 -3.993 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.220 -9.239 -3.682 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.385 -9.977 -3.468 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.839 -6.945 -1.695 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.201 -6.258 -1.793 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.834 -7.245 -3.132 1.00 1.55 H new ATOM 223 N THR A 14 2.179 -10.111 -1.622 1.00 0.55 N ATOM 224 CA THR A 14 3.582 -9.837 -1.583 1.00 0.54 C ATOM 225 C THR A 14 3.957 -9.188 -2.870 1.00 0.55 C ATOM 226 O THR A 14 3.769 -9.738 -3.954 1.00 0.72 O ATOM 227 CB THR A 14 4.431 -11.028 -1.250 1.00 0.67 C ATOM 228 OG1 THR A 14 4.102 -11.629 -0.006 1.00 1.08 O ATOM 229 CG2 THR A 14 5.857 -10.503 -1.020 1.00 1.03 C ATOM 0 H THR A 14 1.948 -10.941 -2.168 1.00 0.55 H new ATOM 0 HA THR A 14 3.784 -9.157 -0.755 1.00 0.54 H new ATOM 0 HB THR A 14 4.300 -11.746 -2.060 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.719 -11.309 0.685 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.516 -11.336 -0.773 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.215 -10.013 -1.925 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.853 -9.788 -0.198 1.00 1.03 H new ATOM 237 N LEU A 15 4.457 -7.939 -2.862 1.00 0.50 N ATOM 238 CA LEU A 15 4.850 -7.333 -4.096 1.00 0.55 C ATOM 239 C LEU A 15 6.312 -7.046 -4.071 1.00 0.52 C ATOM 240 O LEU A 15 6.878 -7.070 -2.979 1.00 0.58 O ATOM 241 CB LEU A 15 3.974 -6.090 -4.324 1.00 0.69 C ATOM 242 CG LEU A 15 2.455 -6.313 -4.425 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.595 -5.047 -4.271 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.055 -6.929 -5.776 1.00 1.55 C ATOM 0 H LEU A 15 4.587 -7.364 -2.030 1.00 0.50 H new ATOM 0 HA LEU A 15 4.692 -8.001 -4.943 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.160 -5.391 -3.509 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.307 -5.605 -5.242 1.00 0.69 H new ATOM 0 HG LEU A 15 2.257 -6.981 -3.586 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.541 -5.310 -4.358 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.778 -4.599 -3.294 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.856 -4.333 -5.052 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.975 -7.070 -5.806 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.356 -6.262 -6.584 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.550 -7.892 -5.897 1.00 1.55 H new ATOM 256 N GLU A 16 6.875 -6.828 -5.273 1.00 0.59 N ATOM 257 CA GLU A 16 8.183 -6.269 -5.408 1.00 0.63 C ATOM 258 C GLU A 16 8.155 -4.820 -5.754 1.00 0.65 C ATOM 259 O GLU A 16 7.315 -4.470 -6.581 1.00 0.81 O ATOM 260 CB GLU A 16 9.144 -7.072 -6.301 1.00 0.76 C ATOM 261 CG GLU A 16 9.740 -8.317 -5.640 1.00 1.41 C ATOM 262 CD GLU A 16 10.568 -9.115 -6.636 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.691 -8.650 -6.969 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.104 -10.214 -7.044 1.00 1.92 O ATOM 0 H GLU A 16 6.418 -7.042 -6.160 1.00 0.59 H new ATOM 0 HA GLU A 16 8.613 -6.351 -4.410 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.613 -7.375 -7.203 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.958 -6.419 -6.615 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.363 -8.023 -4.796 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.940 -8.942 -5.243 1.00 1.41 H new ATOM 271 N VAL A 17 8.985 -3.968 -5.126 1.00 0.61 N ATOM 272 CA VAL A 17 9.058 -2.546 -5.262 1.00 0.63 C ATOM 273 C VAL A 17 10.497 -2.163 -5.194 1.00 0.65 C ATOM 274 O VAL A 17 11.296 -2.894 -4.609 1.00 0.76 O ATOM 275 CB VAL A 17 8.266 -1.717 -4.296 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.769 -2.009 -4.490 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.618 -1.998 -2.825 1.00 0.92 C ATOM 0 H VAL A 17 9.673 -4.312 -4.456 1.00 0.61 H new ATOM 0 HA VAL A 17 8.587 -2.321 -6.219 1.00 0.63 H new ATOM 0 HB VAL A 17 8.510 -0.675 -4.505 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.188 -1.409 -3.790 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.479 -1.759 -5.510 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.578 -3.066 -4.307 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.010 -1.366 -2.178 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.421 -3.046 -2.598 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.673 -1.782 -2.656 1.00 0.92 H new ATOM 287 N GLU A 18 10.727 -0.872 -5.494 1.00 0.68 N ATOM 288 CA GLU A 18 11.968 -0.259 -5.135 1.00 0.74 C ATOM 289 C GLU A 18 11.521 0.823 -4.213 1.00 0.71 C ATOM 290 O GLU A 18 10.414 1.338 -4.371 1.00 0.74 O ATOM 291 CB GLU A 18 12.620 0.419 -6.352 1.00 0.88 C ATOM 292 CG GLU A 18 13.398 -0.438 -7.352 1.00 1.16 C ATOM 293 CD GLU A 18 14.368 -1.457 -6.774 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.230 -1.051 -5.949 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.223 -2.647 -7.162 1.00 2.33 O ATOM 0 H GLU A 18 10.067 -0.262 -5.976 1.00 0.68 H new ATOM 0 HA GLU A 18 12.685 -0.971 -4.727 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.832 0.933 -6.903 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.299 1.185 -5.977 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.679 -0.969 -7.976 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.957 0.229 -8.008 1.00 1.16 H new ATOM 302 N PRO A 19 12.212 1.265 -3.205 1.00 0.74 N ATOM 303 CA PRO A 19 11.714 2.341 -2.397 1.00 0.74 C ATOM 304 C PRO A 19 11.636 3.701 -3.000 1.00 0.70 C ATOM 305 O PRO A 19 11.083 4.590 -2.354 1.00 0.74 O ATOM 306 CB PRO A 19 12.713 2.351 -1.243 1.00 0.86 C ATOM 307 CG PRO A 19 14.039 1.834 -1.824 1.00 0.95 C ATOM 308 CD PRO A 19 13.526 0.778 -2.816 1.00 0.82 C ATOM 0 HA PRO A 19 10.666 2.154 -2.163 1.00 0.74 H new ATOM 0 HB2 PRO A 19 12.830 3.356 -0.838 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.371 1.716 -0.426 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.609 2.621 -2.317 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.685 1.403 -1.059 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.188 0.685 -3.677 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.465 -0.207 -2.353 1.00 0.82 H new ATOM 316 N SER A 20 12.128 3.964 -4.224 1.00 0.70 N ATOM 317 CA SER A 20 11.949 5.138 -5.022 1.00 0.74 C ATOM 318 C SER A 20 10.643 5.143 -5.740 1.00 0.71 C ATOM 319 O SER A 20 10.267 6.120 -6.386 1.00 0.80 O ATOM 320 CB SER A 20 13.070 5.226 -6.071 1.00 0.89 C ATOM 321 OG SER A 20 13.213 4.100 -6.924 1.00 1.45 O ATOM 0 H SER A 20 12.713 3.279 -4.703 1.00 0.70 H new ATOM 0 HA SER A 20 11.974 5.990 -4.342 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.893 6.106 -6.690 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.015 5.386 -5.552 1.00 0.89 H new ATOM 0 HG SER A 20 13.949 4.257 -7.552 1.00 1.45 H new ATOM 327 N ASP A 21 9.909 4.022 -5.630 1.00 0.70 N ATOM 328 CA ASP A 21 8.567 4.016 -6.126 1.00 0.73 C ATOM 329 C ASP A 21 7.668 4.860 -5.292 1.00 0.64 C ATOM 330 O ASP A 21 7.690 5.031 -4.074 1.00 0.66 O ATOM 331 CB ASP A 21 8.044 2.574 -6.252 1.00 0.87 C ATOM 332 CG ASP A 21 8.828 1.855 -7.340 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.016 2.540 -8.381 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.070 0.624 -7.225 1.00 1.50 O ATOM 0 H ASP A 21 10.229 3.148 -5.213 1.00 0.70 H new ATOM 0 HA ASP A 21 8.574 4.458 -7.122 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.152 2.050 -5.302 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.981 2.579 -6.495 1.00 0.87 H new ATOM 339 N THR A 22 6.740 5.521 -6.006 1.00 0.63 N ATOM 340 CA THR A 22 5.703 6.346 -5.466 1.00 0.58 C ATOM 341 C THR A 22 4.597 5.558 -4.853 1.00 0.53 C ATOM 342 O THR A 22 4.412 4.387 -5.183 1.00 0.58 O ATOM 343 CB THR A 22 5.169 7.513 -6.243 1.00 0.63 C ATOM 344 OG1 THR A 22 4.698 7.106 -7.520 1.00 0.70 O ATOM 345 CG2 THR A 22 6.293 8.516 -6.554 1.00 0.75 C ATOM 0 H THR A 22 6.712 5.476 -7.025 1.00 0.63 H new ATOM 0 HA THR A 22 6.290 6.861 -4.706 1.00 0.58 H new ATOM 0 HB THR A 22 4.377 7.945 -5.631 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.354 7.885 -8.005 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.886 9.355 -7.118 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.724 8.880 -5.621 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.067 8.024 -7.143 1.00 0.75 H new ATOM 353 N ILE A 23 3.828 6.158 -3.927 1.00 0.51 N ATOM 354 CA ILE A 23 2.738 5.468 -3.311 1.00 0.48 C ATOM 355 C ILE A 23 1.632 5.298 -4.296 1.00 0.48 C ATOM 356 O ILE A 23 0.917 4.298 -4.333 1.00 0.51 O ATOM 357 CB ILE A 23 2.267 6.221 -2.103 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.495 6.520 -1.225 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.952 5.790 -1.432 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.324 5.348 -0.703 1.00 0.73 C ATOM 0 H ILE A 23 3.960 7.117 -3.606 1.00 0.51 H new ATOM 0 HA ILE A 23 3.070 4.482 -2.987 1.00 0.48 H new ATOM 0 HB ILE A 23 1.850 7.174 -2.429 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.160 7.168 -1.796 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.154 7.094 -0.363 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.753 6.433 -0.575 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.134 5.875 -2.147 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.036 4.756 -1.098 1.00 0.61 H new ATOM 0 HD11 ILE A 23 5.151 5.726 -0.102 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.696 4.703 -0.089 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.718 4.778 -1.544 1.00 0.73 H new ATOM 372 N GLU A 24 1.551 6.265 -5.226 1.00 0.50 N ATOM 373 CA GLU A 24 0.789 6.144 -6.430 1.00 0.53 C ATOM 374 C GLU A 24 0.965 4.866 -7.176 1.00 0.50 C ATOM 375 O GLU A 24 0.074 4.097 -7.532 1.00 0.55 O ATOM 376 CB GLU A 24 1.039 7.379 -7.314 1.00 0.64 C ATOM 377 CG GLU A 24 0.012 7.567 -8.434 1.00 0.95 C ATOM 378 CD GLU A 24 0.342 8.800 -9.262 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.535 8.898 -9.657 1.00 1.56 O ATOM 380 OE2 GLU A 24 -0.487 9.733 -9.432 1.00 1.62 O ATOM 0 H GLU A 24 2.031 7.161 -5.138 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.258 6.106 -6.130 1.00 0.53 H new ATOM 0 HB2 GLU A 24 1.040 8.269 -6.684 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.032 7.300 -7.756 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.001 6.685 -9.074 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.986 7.666 -8.007 1.00 0.95 H new ATOM 387 N ASN A 25 2.254 4.669 -7.507 1.00 0.51 N ATOM 388 CA ASN A 25 2.726 3.505 -8.192 1.00 0.52 C ATOM 389 C ASN A 25 2.436 2.152 -7.641 1.00 0.47 C ATOM 390 O ASN A 25 2.041 1.170 -8.266 1.00 0.53 O ATOM 391 CB ASN A 25 4.222 3.797 -8.398 1.00 0.64 C ATOM 392 CG ASN A 25 4.919 2.771 -9.279 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.827 2.867 -10.502 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.507 1.731 -8.632 1.00 1.57 N ATOM 0 H ASN A 25 2.991 5.340 -7.291 1.00 0.51 H new ATOM 0 HA ASN A 25 2.151 3.383 -9.110 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.334 4.785 -8.844 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.716 3.828 -7.427 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.910 0.961 -9.165 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.546 1.721 -7.613 1.00 1.57 H new ATOM 401 N VAL A 26 2.425 2.143 -6.296 1.00 0.45 N ATOM 402 CA VAL A 26 2.104 1.030 -5.457 1.00 0.44 C ATOM 403 C VAL A 26 0.649 0.714 -5.514 1.00 0.40 C ATOM 404 O VAL A 26 0.257 -0.451 -5.557 1.00 0.44 O ATOM 405 CB VAL A 26 2.602 1.130 -4.047 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.137 0.021 -3.088 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.138 1.065 -3.983 1.00 0.62 C ATOM 0 H VAL A 26 2.658 2.976 -5.756 1.00 0.45 H new ATOM 0 HA VAL A 26 2.660 0.191 -5.876 1.00 0.44 H new ATOM 0 HB VAL A 26 2.184 2.085 -3.730 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.558 0.196 -2.098 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.049 0.027 -3.026 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.474 -0.947 -3.460 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.462 1.141 -2.945 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.480 0.119 -4.402 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.561 1.890 -4.556 1.00 0.62 H new ATOM 417 N LYS A 27 -0.267 1.694 -5.629 1.00 0.40 N ATOM 418 CA LYS A 27 -1.656 1.445 -5.859 1.00 0.41 C ATOM 419 C LYS A 27 -1.955 0.989 -7.245 1.00 0.38 C ATOM 420 O LYS A 27 -2.866 0.222 -7.553 1.00 0.42 O ATOM 421 CB LYS A 27 -2.600 2.622 -5.565 1.00 0.51 C ATOM 422 CG LYS A 27 -2.355 3.078 -4.126 1.00 0.76 C ATOM 423 CD LYS A 27 -3.218 4.275 -3.724 1.00 0.82 C ATOM 424 CE LYS A 27 -2.759 5.012 -2.463 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.536 6.247 -2.217 1.00 1.11 N ATOM 0 H LYS A 27 -0.035 2.685 -5.560 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.852 0.653 -5.136 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.416 3.441 -6.261 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.639 2.319 -5.697 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.556 2.248 -3.448 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.303 3.339 -4.007 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.239 4.983 -4.553 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.241 3.931 -3.573 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.854 4.349 -1.603 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.702 5.263 -2.557 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.113 6.771 -1.424 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.523 6.841 -3.071 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.518 5.998 -1.983 1.00 1.11 H new ATOM 439 N ALA A 28 -1.196 1.497 -8.233 1.00 0.39 N ATOM 440 CA ALA A 28 -1.328 1.030 -9.577 1.00 0.39 C ATOM 441 C ALA A 28 -0.911 -0.390 -9.745 1.00 0.36 C ATOM 442 O ALA A 28 -1.546 -1.169 -10.455 1.00 0.42 O ATOM 443 CB ALA A 28 -0.506 1.982 -10.462 1.00 0.51 C ATOM 0 H ALA A 28 -0.495 2.227 -8.102 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.378 1.039 -9.869 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.577 1.664 -11.502 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.895 2.996 -10.365 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.537 1.962 -10.147 1.00 0.51 H new ATOM 449 N LYS A 29 0.087 -0.796 -8.941 1.00 0.39 N ATOM 450 CA LYS A 29 0.491 -2.168 -8.924 1.00 0.43 C ATOM 451 C LYS A 29 -0.468 -3.095 -8.260 1.00 0.44 C ATOM 452 O LYS A 29 -0.836 -4.158 -8.758 1.00 0.54 O ATOM 453 CB LYS A 29 1.830 -2.352 -8.191 1.00 0.54 C ATOM 454 CG LYS A 29 2.380 -3.771 -8.031 1.00 0.65 C ATOM 455 CD LYS A 29 3.891 -3.763 -7.795 1.00 1.08 C ATOM 456 CE LYS A 29 4.731 -3.452 -9.036 1.00 1.24 C ATOM 457 NZ LYS A 29 6.132 -3.895 -8.859 1.00 1.44 N ATOM 0 H LYS A 29 0.608 -0.186 -8.311 1.00 0.39 H new ATOM 0 HA LYS A 29 0.555 -2.421 -9.982 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.581 -1.762 -8.717 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.726 -1.921 -7.195 1.00 0.54 H new ATOM 0 HG2 LYS A 29 1.883 -4.263 -7.195 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.153 -4.353 -8.924 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.121 -3.027 -7.024 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.189 -4.736 -7.406 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.297 -3.947 -9.905 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.708 -2.381 -9.235 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.769 -3.237 -9.352 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.366 -3.909 -7.846 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.247 -4.850 -9.254 1.00 1.44 H new ATOM 471 N ILE A 30 -1.137 -2.562 -7.223 1.00 0.41 N ATOM 472 CA ILE A 30 -2.153 -3.282 -6.519 1.00 0.44 C ATOM 473 C ILE A 30 -3.355 -3.371 -7.394 1.00 0.45 C ATOM 474 O ILE A 30 -4.023 -4.402 -7.346 1.00 0.56 O ATOM 475 CB ILE A 30 -2.461 -2.680 -5.180 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.327 -3.041 -4.206 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.838 -3.019 -4.585 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.488 -2.134 -2.988 1.00 1.32 C ATOM 0 H ILE A 30 -0.972 -1.620 -6.868 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.794 -4.287 -6.297 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.520 -1.604 -5.340 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.385 -4.090 -3.917 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.354 -2.892 -4.673 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.947 -2.529 -3.618 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.621 -2.671 -5.259 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.923 -4.098 -4.456 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.703 -2.353 -2.265 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.415 -1.092 -3.298 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.462 -2.309 -2.530 1.00 1.32 H new ATOM 490 N GLN A 31 -3.618 -2.401 -8.287 1.00 0.41 N ATOM 491 CA GLN A 31 -4.635 -2.442 -9.292 1.00 0.48 C ATOM 492 C GLN A 31 -4.403 -3.518 -10.296 1.00 0.52 C ATOM 493 O GLN A 31 -5.328 -4.268 -10.601 1.00 0.66 O ATOM 494 CB GLN A 31 -4.858 -1.125 -10.056 1.00 0.52 C ATOM 495 CG GLN A 31 -6.123 -1.119 -10.916 1.00 0.70 C ATOM 496 CD GLN A 31 -6.373 0.092 -11.804 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.497 0.523 -12.055 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.292 0.801 -12.225 1.00 1.43 N ATOM 0 H GLN A 31 -3.085 -1.531 -8.308 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.534 -2.644 -8.709 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.912 -0.305 -9.340 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.995 -0.935 -10.694 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.098 -2.002 -11.554 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.980 -1.230 -10.252 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.351 0.461 -12.027 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.422 1.673 -12.739 1.00 1.43 H new ATOM 507 N ASP A 32 -3.214 -3.628 -10.913 1.00 0.50 N ATOM 508 CA ASP A 32 -3.022 -4.740 -11.794 1.00 0.60 C ATOM 509 C ASP A 32 -3.150 -6.062 -11.119 1.00 0.65 C ATOM 510 O ASP A 32 -3.717 -7.018 -11.644 1.00 0.81 O ATOM 511 CB ASP A 32 -1.647 -4.489 -12.434 1.00 0.67 C ATOM 512 CG ASP A 32 -1.283 -5.458 -13.549 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.163 -5.748 -14.405 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.052 -5.640 -13.747 1.00 1.55 O ATOM 0 H ASP A 32 -2.425 -2.989 -10.814 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.804 -4.801 -12.550 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.625 -3.474 -12.831 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.884 -4.545 -11.658 1.00 0.67 H new ATOM 519 N LYS A 33 -2.627 -6.174 -9.884 1.00 0.62 N ATOM 520 CA LYS A 33 -2.543 -7.390 -9.137 1.00 0.73 C ATOM 521 C LYS A 33 -3.854 -7.945 -8.698 1.00 0.69 C ATOM 522 O LYS A 33 -4.249 -9.058 -9.043 1.00 0.83 O ATOM 523 CB LYS A 33 -1.691 -7.200 -7.871 1.00 0.85 C ATOM 524 CG LYS A 33 -1.550 -8.538 -7.142 1.00 1.31 C ATOM 525 CD LYS A 33 -0.652 -9.539 -7.871 1.00 1.71 C ATOM 526 CE LYS A 33 -0.158 -10.701 -7.006 1.00 2.26 C ATOM 527 NZ LYS A 33 0.920 -11.508 -7.618 1.00 2.62 N ATOM 0 H LYS A 33 -2.243 -5.374 -9.381 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.092 -8.095 -9.835 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.707 -6.814 -8.137 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.156 -6.464 -7.215 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.147 -8.359 -6.145 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.539 -8.977 -7.011 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.199 -9.944 -8.722 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.212 -9.008 -8.270 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.198 -10.304 -6.056 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -1.001 -11.355 -6.782 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 1.194 -12.271 -6.967 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.581 -11.920 -8.511 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.743 -10.901 -7.807 1.00 2.62 H new ATOM 541 N GLU A 34 -4.603 -7.103 -7.966 1.00 0.63 N ATOM 542 CA GLU A 34 -5.815 -7.484 -7.307 1.00 0.67 C ATOM 543 C GLU A 34 -7.060 -6.851 -7.825 1.00 0.69 C ATOM 544 O GLU A 34 -8.153 -7.363 -7.585 1.00 0.95 O ATOM 545 CB GLU A 34 -5.858 -6.932 -5.873 1.00 0.73 C ATOM 546 CG GLU A 34 -4.801 -7.555 -4.960 1.00 0.83 C ATOM 547 CD GLU A 34 -4.977 -9.067 -4.940 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.083 -9.551 -4.581 1.00 1.48 O ATOM 549 OE2 GLU A 34 -3.991 -9.770 -5.288 1.00 1.37 O ATOM 0 H GLU A 34 -4.358 -6.123 -7.827 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.798 -8.566 -7.436 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.715 -5.852 -5.901 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.846 -7.111 -5.450 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.802 -7.299 -5.314 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.894 -7.154 -3.951 1.00 0.83 H new ATOM 556 N GLY A 35 -6.945 -5.774 -8.621 1.00 0.63 N ATOM 557 CA GLY A 35 -8.020 -5.161 -9.338 1.00 0.68 C ATOM 558 C GLY A 35 -8.750 -4.205 -8.459 1.00 0.76 C ATOM 559 O GLY A 35 -9.926 -4.427 -8.178 1.00 1.12 O ATOM 0 H GLY A 35 -6.052 -5.305 -8.773 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.632 -4.638 -10.212 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.705 -5.926 -9.703 1.00 0.68 H new ATOM 563 N ILE A 36 -8.079 -3.127 -8.012 1.00 0.70 N ATOM 564 CA ILE A 36 -8.641 -2.176 -7.105 1.00 0.76 C ATOM 565 C ILE A 36 -8.100 -0.891 -7.631 1.00 0.71 C ATOM 566 O ILE A 36 -6.873 -0.812 -7.608 1.00 0.73 O ATOM 567 CB ILE A 36 -8.293 -2.374 -5.659 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.570 -3.785 -5.113 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.072 -1.317 -4.858 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.669 -4.113 -3.924 1.00 1.16 C ATOM 0 H ILE A 36 -7.121 -2.912 -8.289 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.728 -2.248 -7.079 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.214 -2.259 -5.556 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.615 -3.861 -4.811 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.413 -4.519 -5.903 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.847 -1.426 -3.797 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.780 -0.321 -5.190 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.141 -1.454 -5.018 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.893 -5.117 -3.564 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.625 -4.062 -4.234 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.846 -3.394 -3.124 1.00 1.16 H new ATOM 582 N PRO A 37 -8.870 0.048 -8.095 1.00 0.75 N ATOM 583 CA PRO A 37 -8.493 1.339 -8.595 1.00 0.79 C ATOM 584 C PRO A 37 -7.747 2.133 -7.579 1.00 0.75 C ATOM 585 O PRO A 37 -8.110 1.885 -6.430 1.00 0.75 O ATOM 586 CB PRO A 37 -9.780 2.006 -9.075 1.00 0.95 C ATOM 587 CG PRO A 37 -10.687 0.811 -9.407 1.00 1.02 C ATOM 588 CD PRO A 37 -10.296 -0.167 -8.287 1.00 0.85 C ATOM 0 HA PRO A 37 -7.792 1.258 -9.425 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.216 2.642 -8.305 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.607 2.636 -9.948 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.744 1.074 -9.376 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.489 0.404 -10.399 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.854 0.034 -7.372 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.507 -1.198 -8.569 1.00 0.85 H new ATOM 596 N PRO A 38 -6.887 3.072 -7.839 1.00 0.81 N ATOM 597 CA PRO A 38 -6.067 3.696 -6.842 1.00 0.85 C ATOM 598 C PRO A 38 -6.782 4.612 -5.909 1.00 0.89 C ATOM 599 O PRO A 38 -6.387 4.744 -4.751 1.00 0.99 O ATOM 600 CB PRO A 38 -5.027 4.471 -7.649 1.00 1.01 C ATOM 601 CG PRO A 38 -4.904 3.590 -8.902 1.00 1.25 C ATOM 602 CD PRO A 38 -6.382 3.281 -9.188 1.00 0.98 C ATOM 0 HA PRO A 38 -5.656 2.934 -6.179 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.360 5.481 -7.887 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.080 4.565 -7.117 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.424 4.114 -9.729 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.322 2.687 -8.716 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.885 4.105 -9.694 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.505 2.399 -9.816 1.00 0.98 H new ATOM 610 N ASP A 39 -7.898 5.240 -6.321 1.00 0.96 N ATOM 611 CA ASP A 39 -8.761 6.122 -5.599 1.00 1.11 C ATOM 612 C ASP A 39 -9.405 5.497 -4.409 1.00 1.00 C ATOM 613 O ASP A 39 -9.652 6.108 -3.371 1.00 1.14 O ATOM 614 CB ASP A 39 -9.792 6.707 -6.578 1.00 1.39 C ATOM 615 CG ASP A 39 -10.589 7.900 -6.069 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.112 8.955 -5.572 1.00 2.23 O ATOM 617 OD2 ASP A 39 -11.837 7.745 -6.151 1.00 2.25 O ATOM 0 H ASP A 39 -8.232 5.111 -7.276 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.152 6.923 -5.180 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.272 7.004 -7.489 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.492 5.918 -6.853 1.00 1.39 H new ATOM 622 N GLN A 40 -9.701 4.184 -4.417 1.00 0.87 N ATOM 623 CA GLN A 40 -10.453 3.495 -3.414 1.00 0.84 C ATOM 624 C GLN A 40 -9.445 2.970 -2.449 1.00 0.67 C ATOM 625 O GLN A 40 -9.902 2.505 -1.406 1.00 0.80 O ATOM 626 CB GLN A 40 -11.287 2.429 -4.143 1.00 0.95 C ATOM 627 CG GLN A 40 -12.192 1.559 -3.268 1.00 1.32 C ATOM 628 CD GLN A 40 -12.671 0.338 -4.040 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.530 -0.852 -3.758 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.270 0.527 -5.245 1.00 2.02 N ATOM 0 H GLN A 40 -9.396 3.567 -5.170 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.161 4.100 -2.847 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.908 2.930 -4.885 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.606 1.775 -4.687 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.650 1.243 -2.377 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.049 2.141 -2.930 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.441 1.473 -5.587 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.549 -0.277 -5.808 1.00 2.02 H new ATOM 639 N GLN A 41 -8.118 2.976 -2.668 1.00 0.56 N ATOM 640 CA GLN A 41 -7.261 2.293 -1.751 1.00 0.51 C ATOM 641 C GLN A 41 -6.782 3.241 -0.705 1.00 0.49 C ATOM 642 O GLN A 41 -6.182 4.270 -1.009 1.00 0.65 O ATOM 643 CB GLN A 41 -5.983 1.758 -2.420 1.00 0.67 C ATOM 644 CG GLN A 41 -6.303 0.768 -3.541 1.00 0.69 C ATOM 645 CD GLN A 41 -5.010 0.386 -4.247 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.936 0.359 -3.649 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.180 0.074 -5.560 1.00 0.61 N ATOM 0 H GLN A 41 -7.652 3.436 -3.450 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.853 1.471 -1.349 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.407 2.591 -2.824 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.357 1.271 -1.672 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.786 -0.120 -3.133 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.001 1.214 -4.249 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.108 0.123 -5.980 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.379 -0.209 -6.125 1.00 0.61 H new ATOM 656 N ARG A 42 -6.848 2.863 0.583 1.00 0.47 N ATOM 657 CA ARG A 42 -6.139 3.504 1.647 1.00 0.55 C ATOM 658 C ARG A 42 -4.969 2.668 2.035 1.00 0.46 C ATOM 659 O ARG A 42 -5.106 1.496 2.378 1.00 0.52 O ATOM 660 CB ARG A 42 -6.935 3.903 2.902 1.00 0.73 C ATOM 661 CG ARG A 42 -6.199 4.254 4.196 1.00 1.04 C ATOM 662 CD ARG A 42 -7.223 4.588 5.282 1.00 1.28 C ATOM 663 NE ARG A 42 -7.945 5.807 4.823 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.236 6.103 5.157 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.933 5.228 5.938 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.929 7.070 4.486 1.00 2.78 N ATOM 0 H ARG A 42 -7.419 2.078 0.897 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.848 4.464 1.222 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.550 4.763 2.636 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.615 3.082 3.129 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.575 3.418 4.512 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.535 5.103 4.032 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.916 3.760 5.430 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.730 4.766 6.238 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.444 6.462 4.222 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.489 4.369 6.263 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.898 5.433 6.197 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.483 7.582 3.725 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.893 7.280 4.746 1.00 2.78 H new ATOM 680 N LEU A 43 -3.735 3.204 2.049 1.00 0.46 N ATOM 681 CA LEU A 43 -2.552 2.493 2.422 1.00 0.42 C ATOM 682 C LEU A 43 -2.003 3.072 3.680 1.00 0.43 C ATOM 683 O LEU A 43 -1.667 4.256 3.714 1.00 0.55 O ATOM 684 CB LEU A 43 -1.450 2.473 1.350 1.00 0.55 C ATOM 685 CG LEU A 43 -1.821 1.665 0.094 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.657 1.790 -0.904 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.136 0.197 0.430 1.00 1.12 C ATOM 0 H LEU A 43 -3.555 4.174 1.789 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.858 1.456 2.557 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.222 3.498 1.057 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.541 2.056 1.784 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.733 2.065 -0.350 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.890 1.226 -1.807 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.508 2.839 -1.159 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.253 1.393 -0.454 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.393 -0.338 -0.484 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.263 -0.267 0.889 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.976 0.155 1.124 1.00 1.12 H new ATOM 699 N ILE A 44 -1.912 2.297 4.775 1.00 0.42 N ATOM 700 CA ILE A 44 -1.461 2.696 6.073 1.00 0.46 C ATOM 701 C ILE A 44 -0.150 2.054 6.371 1.00 0.42 C ATOM 702 O ILE A 44 -0.073 0.829 6.284 1.00 0.53 O ATOM 703 CB ILE A 44 -2.383 2.479 7.236 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.819 2.818 6.803 1.00 1.05 C ATOM 705 CG2 ILE A 44 -1.843 3.206 8.480 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.770 2.715 7.996 1.00 1.27 C ATOM 0 H ILE A 44 -2.175 1.312 4.750 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.398 3.781 5.986 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.423 1.435 7.546 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.853 3.825 6.388 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.139 2.137 6.014 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.519 3.043 9.319 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -0.856 2.817 8.729 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.771 4.274 8.275 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.783 2.958 7.676 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.748 1.700 8.392 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.458 3.414 8.772 1.00 1.27 H new ATOM 718 N PHE A 45 0.912 2.800 6.723 1.00 0.42 N ATOM 719 CA PHE A 45 2.091 2.182 7.245 1.00 0.46 C ATOM 720 C PHE A 45 2.361 2.842 8.553 1.00 0.68 C ATOM 721 O PHE A 45 2.423 4.062 8.689 1.00 1.50 O ATOM 722 CB PHE A 45 3.258 2.188 6.244 1.00 0.56 C ATOM 723 CG PHE A 45 4.581 1.803 6.813 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.864 0.480 7.056 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.392 2.775 7.348 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.945 0.051 7.789 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.473 2.370 8.095 1.00 1.33 C ATOM 728 CZ PHE A 45 6.747 1.039 8.311 1.00 1.02 C ATOM 0 H PHE A 45 0.956 3.816 6.648 1.00 0.42 H new ATOM 0 HA PHE A 45 1.950 1.114 7.413 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.019 1.507 5.427 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.342 3.186 5.813 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.198 -0.266 6.647 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.187 3.823 7.187 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.152 -0.997 7.945 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.125 3.117 8.524 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.608 0.765 8.902 1.00 1.02 H new ATOM 738 N ALA A 46 2.588 2.016 9.591 1.00 0.81 N ATOM 739 CA ALA A 46 2.881 2.442 10.924 1.00 0.96 C ATOM 740 C ALA A 46 1.681 3.000 11.608 1.00 0.97 C ATOM 741 O ALA A 46 1.011 2.336 12.396 1.00 1.21 O ATOM 742 CB ALA A 46 4.092 3.390 10.957 1.00 1.20 C ATOM 0 H ALA A 46 2.566 1.001 9.495 1.00 0.81 H new ATOM 0 HA ALA A 46 3.165 1.560 11.499 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.288 3.695 11.985 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.967 2.877 10.558 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.881 4.271 10.351 1.00 1.20 H new ATOM 748 N GLY A 47 1.240 4.237 11.314 1.00 0.99 N ATOM 749 CA GLY A 47 0.160 4.914 11.965 1.00 1.10 C ATOM 750 C GLY A 47 0.029 6.208 11.239 1.00 1.03 C ATOM 751 O GLY A 47 -0.320 7.251 11.791 1.00 1.30 O ATOM 0 H GLY A 47 1.664 4.799 10.576 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.761 4.334 11.909 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.373 5.073 13.022 1.00 1.10 H new ATOM 755 N LYS A 48 0.313 6.123 9.927 1.00 0.98 N ATOM 756 CA LYS A 48 0.266 7.187 8.973 1.00 1.05 C ATOM 757 C LYS A 48 -0.326 6.634 7.722 1.00 0.84 C ATOM 758 O LYS A 48 0.106 5.616 7.184 1.00 0.81 O ATOM 759 CB LYS A 48 1.720 7.646 8.777 1.00 1.42 C ATOM 760 CG LYS A 48 2.073 9.061 8.314 1.00 1.61 C ATOM 761 CD LYS A 48 1.496 10.212 9.140 1.00 1.87 C ATOM 762 CE LYS A 48 1.785 10.214 10.643 1.00 2.22 C ATOM 763 NZ LYS A 48 3.158 10.701 10.904 1.00 2.55 N ATOM 0 H LYS A 48 0.598 5.241 9.502 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.340 8.038 9.285 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.228 7.492 9.729 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.171 6.960 8.060 1.00 1.42 H new ATOM 0 HG2 LYS A 48 3.159 9.157 8.307 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.736 9.177 7.284 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.871 11.147 8.724 1.00 1.87 H new ATOM 0 HD3 LYS A 48 0.414 10.214 9.005 1.00 1.87 H new ATOM 0 HE2 LYS A 48 1.063 10.848 11.158 1.00 2.22 H new ATOM 0 HE3 LYS A 48 1.667 9.207 11.044 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 3.339 10.697 11.928 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.843 10.080 10.429 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.258 11.670 10.539 1.00 2.55 H new ATOM 777 N GLN A 49 -1.437 7.201 7.220 1.00 0.84 N ATOM 778 CA GLN A 49 -1.924 6.949 5.899 1.00 0.80 C ATOM 779 C GLN A 49 -0.983 7.606 4.949 1.00 0.72 C ATOM 780 O GLN A 49 -0.522 8.689 5.309 1.00 0.83 O ATOM 781 CB GLN A 49 -3.331 7.512 5.639 1.00 1.03 C ATOM 782 CG GLN A 49 -4.429 7.052 6.599 1.00 1.67 C ATOM 783 CD GLN A 49 -5.758 7.787 6.483 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.965 8.462 5.476 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.729 7.695 7.431 1.00 2.48 N ATOM 0 H GLN A 49 -2.014 7.855 7.749 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.987 5.868 5.771 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.277 8.600 5.676 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.627 7.242 4.625 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.607 5.989 6.436 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.063 7.161 7.620 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.571 7.139 8.271 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.616 8.182 7.302 1.00 2.48 H new ATOM 794 N LEU A 50 -0.711 6.996 3.783 1.00 0.69 N ATOM 795 CA LEU A 50 0.300 7.539 2.930 1.00 0.66 C ATOM 796 C LEU A 50 -0.324 8.335 1.835 1.00 0.72 C ATOM 797 O LEU A 50 -1.310 7.893 1.247 1.00 0.90 O ATOM 798 CB LEU A 50 1.099 6.301 2.490 1.00 0.65 C ATOM 799 CG LEU A 50 1.563 5.394 3.642 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.240 4.220 2.915 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.530 6.053 4.640 1.00 0.74 C ATOM 0 H LEU A 50 -1.173 6.155 3.438 1.00 0.69 H new ATOM 0 HA LEU A 50 0.970 8.259 3.399 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.486 5.713 1.807 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.974 6.630 1.930 1.00 0.65 H new ATOM 0 HG LEU A 50 0.719 5.114 4.272 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.612 3.504 3.648 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.517 3.729 2.264 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.072 4.593 2.317 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.799 5.335 5.414 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.430 6.376 4.116 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.047 6.916 5.098 1.00 0.74 H new ATOM 813 N GLU A 51 0.254 9.491 1.460 1.00 0.70 N ATOM 814 CA GLU A 51 -0.233 10.279 0.372 1.00 0.76 C ATOM 815 C GLU A 51 0.310 9.730 -0.902 1.00 0.77 C ATOM 816 O GLU A 51 1.350 9.077 -0.847 1.00 1.23 O ATOM 817 CB GLU A 51 0.096 11.760 0.623 1.00 0.88 C ATOM 818 CG GLU A 51 -0.654 12.222 1.874 1.00 1.35 C ATOM 819 CD GLU A 51 -0.248 13.624 2.307 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.969 13.947 2.274 1.00 1.89 O ATOM 821 OE2 GLU A 51 -1.149 14.428 2.668 1.00 1.94 O ATOM 0 H GLU A 51 1.074 9.885 1.921 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.319 10.228 0.290 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.170 11.892 0.756 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.195 12.363 -0.237 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.726 12.200 1.681 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.463 11.523 2.688 1.00 1.35 H new ATOM 828 N ASP A 52 -0.275 10.047 -2.072 1.00 0.66 N ATOM 829 CA ASP A 52 -0.060 9.483 -3.368 1.00 0.65 C ATOM 830 C ASP A 52 1.210 9.839 -4.062 1.00 0.60 C ATOM 831 O ASP A 52 2.035 8.985 -4.381 1.00 0.62 O ATOM 832 CB ASP A 52 -1.240 9.810 -4.299 1.00 0.81 C ATOM 833 CG ASP A 52 -2.625 9.404 -3.816 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.931 8.185 -3.916 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.439 10.291 -3.446 1.00 1.56 O ATOM 0 H ASP A 52 -0.979 10.784 -2.109 1.00 0.66 H new ATOM 0 HA ASP A 52 0.022 8.416 -3.161 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.244 10.885 -4.478 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.060 9.327 -5.259 1.00 0.81 H new ATOM 840 N GLY A 53 1.480 11.139 -4.275 1.00 0.68 N ATOM 841 CA GLY A 53 2.728 11.611 -4.790 1.00 0.73 C ATOM 842 C GLY A 53 3.836 11.960 -3.857 1.00 0.72 C ATOM 843 O GLY A 53 4.484 13.006 -3.846 1.00 0.97 O ATOM 0 H GLY A 53 0.810 11.884 -4.083 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.106 10.849 -5.471 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.517 12.497 -5.388 1.00 0.73 H new ATOM 847 N ARG A 54 4.128 10.942 -3.029 1.00 0.64 N ATOM 848 CA ARG A 54 5.212 10.724 -2.122 1.00 0.63 C ATOM 849 C ARG A 54 5.802 9.440 -2.595 1.00 0.59 C ATOM 850 O ARG A 54 5.227 8.625 -3.314 1.00 0.62 O ATOM 851 CB ARG A 54 4.693 10.403 -0.709 1.00 0.69 C ATOM 852 CG ARG A 54 3.780 11.525 -0.209 1.00 0.82 C ATOM 853 CD ARG A 54 4.419 12.915 -0.173 1.00 1.18 C ATOM 854 NE ARG A 54 3.324 13.852 0.206 1.00 1.50 N ATOM 855 CZ ARG A 54 2.513 14.482 -0.693 1.00 2.00 C ATOM 856 NH1 ARG A 54 2.691 14.488 -2.046 1.00 2.48 N ATOM 857 NH2 ARG A 54 1.378 15.090 -0.238 1.00 2.49 N ATOM 0 H ARG A 54 3.494 10.144 -2.996 1.00 0.64 H new ATOM 0 HA ARG A 54 5.872 11.591 -2.090 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.147 9.459 -0.721 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.533 10.277 -0.026 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.897 11.565 -0.846 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.438 11.274 0.795 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.234 12.953 0.550 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.841 13.177 -1.143 1.00 1.18 H new ATOM 0 HE ARG A 54 3.171 14.034 1.198 1.00 1.50 H new ATOM 0 HH11 ARG A 54 3.482 13.993 -2.459 1.00 2.48 H new ATOM 0 HH12 ARG A 54 2.033 14.987 -2.645 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.151 15.067 0.756 1.00 2.49 H new ATOM 0 HH22 ARG A 54 0.757 15.567 -0.892 1.00 2.49 H new ATOM 871 N THR A 55 6.988 9.058 -2.087 1.00 0.63 N ATOM 872 CA THR A 55 7.553 7.764 -2.315 1.00 0.61 C ATOM 873 C THR A 55 7.495 6.993 -1.042 1.00 0.59 C ATOM 874 O THR A 55 7.015 7.470 -0.015 1.00 0.64 O ATOM 875 CB THR A 55 8.941 7.734 -2.882 1.00 0.68 C ATOM 876 OG1 THR A 55 9.922 8.278 -2.010 1.00 0.75 O ATOM 877 CG2 THR A 55 9.059 8.578 -4.163 1.00 0.76 C ATOM 0 H THR A 55 7.567 9.662 -1.504 1.00 0.63 H new ATOM 0 HA THR A 55 6.947 7.311 -3.100 1.00 0.61 H new ATOM 0 HB THR A 55 9.118 6.673 -3.060 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.719 9.221 -1.837 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.081 8.528 -4.539 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.375 8.191 -4.918 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.805 9.614 -3.941 1.00 0.76 H new ATOM 885 N LEU A 56 8.000 5.748 -1.100 1.00 0.58 N ATOM 886 CA LEU A 56 8.245 4.789 -0.067 1.00 0.59 C ATOM 887 C LEU A 56 9.419 5.214 0.746 1.00 0.64 C ATOM 888 O LEU A 56 9.432 4.968 1.951 1.00 0.70 O ATOM 889 CB LEU A 56 8.492 3.408 -0.697 1.00 0.60 C ATOM 890 CG LEU A 56 7.256 2.727 -1.309 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.750 1.505 -2.103 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.208 2.293 -0.271 1.00 1.03 C ATOM 0 H LEU A 56 8.274 5.364 -2.004 1.00 0.58 H new ATOM 0 HA LEU A 56 7.376 4.725 0.588 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.249 3.513 -1.474 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.907 2.749 0.066 1.00 0.60 H new ATOM 0 HG LEU A 56 6.749 3.452 -1.946 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.898 0.995 -2.553 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.433 1.832 -2.887 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.269 0.821 -1.432 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.367 1.821 -0.779 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.657 1.583 0.424 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.857 3.166 0.278 1.00 1.03 H new ATOM 904 N SER A 57 10.436 5.869 0.157 1.00 0.68 N ATOM 905 CA SER A 57 11.695 6.327 0.656 1.00 0.75 C ATOM 906 C SER A 57 11.513 7.524 1.525 1.00 0.76 C ATOM 907 O SER A 57 12.098 7.652 2.600 1.00 0.84 O ATOM 908 CB SER A 57 12.821 6.588 -0.359 1.00 0.84 C ATOM 909 OG SER A 57 14.048 6.932 0.268 1.00 1.19 O ATOM 0 H SER A 57 10.353 6.113 -0.830 1.00 0.68 H new ATOM 0 HA SER A 57 12.053 5.465 1.219 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.967 5.699 -0.972 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.521 7.393 -1.030 1.00 0.84 H new ATOM 0 HG SER A 57 14.733 7.087 -0.416 1.00 1.19 H new ATOM 915 N ASP A 58 10.559 8.361 1.081 1.00 0.75 N ATOM 916 CA ASP A 58 10.132 9.497 1.837 1.00 0.78 C ATOM 917 C ASP A 58 9.483 9.152 3.133 1.00 0.77 C ATOM 918 O ASP A 58 9.634 9.843 4.139 1.00 0.86 O ATOM 919 CB ASP A 58 9.200 10.436 1.050 1.00 0.83 C ATOM 920 CG ASP A 58 9.666 11.035 -0.268 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.792 11.600 -0.237 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.006 10.826 -1.321 1.00 1.86 O ATOM 0 H ASP A 58 10.079 8.249 0.188 1.00 0.75 H new ATOM 0 HA ASP A 58 11.064 10.020 2.051 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.280 9.887 0.850 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.941 11.264 1.710 1.00 0.83 H new ATOM 927 N TYR A 59 8.683 8.071 3.151 1.00 0.72 N ATOM 928 CA TYR A 59 8.154 7.506 4.353 1.00 0.73 C ATOM 929 C TYR A 59 9.109 6.571 5.011 1.00 0.76 C ATOM 930 O TYR A 59 8.696 6.098 6.068 1.00 0.89 O ATOM 931 CB TYR A 59 6.801 6.808 4.132 1.00 0.73 C ATOM 932 CG TYR A 59 5.678 7.771 3.953 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.133 8.471 5.004 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.163 7.937 2.690 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.039 9.279 4.807 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.097 8.780 2.483 1.00 0.70 C ATOM 937 CZ TYR A 59 3.524 9.442 3.542 1.00 0.74 C ATOM 938 OH TYR A 59 2.475 10.357 3.311 1.00 0.86 O ATOM 0 H TYR A 59 8.396 7.576 2.306 1.00 0.72 H new ATOM 0 HA TYR A 59 7.992 8.351 5.022 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.867 6.167 3.253 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.587 6.162 4.983 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.567 8.385 5.989 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.597 7.404 1.857 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.584 9.786 5.645 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.709 8.922 1.485 1.00 0.70 H new ATOM 0 HH TYR A 59 2.841 11.187 2.940 1.00 0.86 H new ATOM 948 N ASN A 60 10.299 6.283 4.454 1.00 0.74 N ATOM 949 CA ASN A 60 11.244 5.352 4.990 1.00 0.79 C ATOM 950 C ASN A 60 10.705 3.976 5.184 1.00 0.75 C ATOM 951 O ASN A 60 11.014 3.351 6.198 1.00 0.86 O ATOM 952 CB ASN A 60 12.113 5.983 6.091 1.00 0.95 C ATOM 953 CG ASN A 60 13.294 5.114 6.499 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.488 4.990 7.707 1.00 1.84 O ATOM 955 ND2 ASN A 60 14.114 4.498 5.606 1.00 1.83 N ATOM 0 H ASN A 60 10.617 6.720 3.589 1.00 0.74 H new ATOM 0 HA ASN A 60 11.987 5.128 4.224 1.00 0.79 H new ATOM 0 HB2 ASN A 60 12.484 6.947 5.743 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.494 6.176 6.967 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.894 3.930 5.937 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.949 4.604 4.605 1.00 1.83 H new ATOM 962 N ILE A 61 9.990 3.392 4.206 1.00 0.67 N ATOM 963 CA ILE A 61 9.427 2.080 4.118 1.00 0.65 C ATOM 964 C ILE A 61 10.455 1.170 3.539 1.00 0.66 C ATOM 965 O ILE A 61 10.892 1.196 2.389 1.00 0.75 O ATOM 966 CB ILE A 61 8.151 2.043 3.331 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.094 2.910 4.035 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.680 0.591 3.144 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.814 3.142 3.234 1.00 0.82 C ATOM 0 H ILE A 61 9.780 3.920 3.359 1.00 0.67 H new ATOM 0 HA ILE A 61 9.153 1.749 5.120 1.00 0.65 H new ATOM 0 HB ILE A 61 8.316 2.454 2.335 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.832 2.439 4.983 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.538 3.877 4.271 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.753 0.580 2.571 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.444 0.027 2.609 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.509 0.135 4.119 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.130 3.764 3.812 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.057 3.644 2.298 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.340 2.184 3.020 1.00 0.82 H new ATOM 981 N GLN A 62 11.002 0.308 4.416 1.00 0.67 N ATOM 982 CA GLN A 62 12.044 -0.644 4.186 1.00 0.70 C ATOM 983 C GLN A 62 11.528 -1.868 3.514 1.00 0.62 C ATOM 984 O GLN A 62 10.336 -1.998 3.240 1.00 0.64 O ATOM 985 CB GLN A 62 12.823 -1.001 5.464 1.00 0.85 C ATOM 986 CG GLN A 62 13.082 0.239 6.322 1.00 1.27 C ATOM 987 CD GLN A 62 13.787 -0.091 7.631 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.248 -0.370 8.701 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.136 0.064 7.567 1.00 2.16 N ATOM 0 H GLN A 62 10.679 0.277 5.383 1.00 0.67 H new ATOM 0 HA GLN A 62 12.753 -0.160 3.514 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.261 -1.735 6.042 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.772 -1.465 5.196 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.687 0.948 5.756 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.134 0.731 6.538 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.581 0.295 6.679 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.703 -0.051 8.407 1.00 2.16 H new ATOM 998 N LYS A 63 12.352 -2.908 3.293 1.00 0.64 N ATOM 999 CA LYS A 63 11.975 -4.192 2.792 1.00 0.62 C ATOM 1000 C LYS A 63 11.248 -4.920 3.870 1.00 0.59 C ATOM 1001 O LYS A 63 11.525 -4.689 5.046 1.00 0.66 O ATOM 1002 CB LYS A 63 13.185 -5.080 2.459 1.00 0.74 C ATOM 1003 CG LYS A 63 14.212 -5.534 3.499 1.00 0.89 C ATOM 1004 CD LYS A 63 15.261 -6.566 3.085 1.00 1.11 C ATOM 1005 CE LYS A 63 16.225 -6.978 4.200 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.596 -7.543 5.415 1.00 2.12 N ATOM 0 H LYS A 63 13.353 -2.845 3.478 1.00 0.64 H new ATOM 0 HA LYS A 63 11.385 -4.016 1.893 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.784 -5.987 2.007 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.745 -4.558 1.683 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.740 -4.648 3.853 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.665 -5.940 4.350 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.750 -7.456 2.717 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.839 -6.163 2.253 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.923 -7.713 3.799 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.812 -6.106 4.489 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.334 -7.789 6.106 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.952 -6.840 5.831 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.060 -8.398 5.163 1.00 2.12 H new ATOM 1020 N GLU A 64 10.302 -5.786 3.464 1.00 0.57 N ATOM 1021 CA GLU A 64 9.573 -6.650 4.338 1.00 0.58 C ATOM 1022 C GLU A 64 8.563 -6.012 5.227 1.00 0.56 C ATOM 1023 O GLU A 64 8.030 -6.518 6.214 1.00 0.70 O ATOM 1024 CB GLU A 64 10.456 -7.620 5.143 1.00 0.72 C ATOM 1025 CG GLU A 64 11.392 -8.485 4.295 1.00 0.96 C ATOM 1026 CD GLU A 64 12.595 -9.044 5.041 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.415 -9.432 6.226 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.690 -9.204 4.437 1.00 1.69 O ATOM 0 H GLU A 64 10.034 -5.888 2.485 1.00 0.57 H new ATOM 0 HA GLU A 64 8.995 -7.224 3.614 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.055 -7.044 5.849 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.812 -8.274 5.731 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.821 -9.316 3.881 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.748 -7.892 3.452 1.00 0.96 H new ATOM 1035 N SER A 65 8.159 -4.779 4.872 1.00 0.51 N ATOM 1036 CA SER A 65 7.185 -4.001 5.572 1.00 0.51 C ATOM 1037 C SER A 65 5.751 -4.269 5.267 1.00 0.43 C ATOM 1038 O SER A 65 5.398 -4.648 4.151 1.00 0.50 O ATOM 1039 CB SER A 65 7.339 -2.497 5.285 1.00 0.65 C ATOM 1040 OG SER A 65 8.608 -2.081 5.770 1.00 1.04 O ATOM 0 H SER A 65 8.532 -4.300 4.053 1.00 0.51 H new ATOM 0 HA SER A 65 7.396 -4.297 6.600 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.259 -2.304 4.215 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.543 -1.934 5.771 1.00 0.65 H new ATOM 0 HG SER A 65 9.245 -2.040 5.026 1.00 1.04 H new ATOM 1046 N THR A 66 4.890 -4.016 6.269 1.00 0.45 N ATOM 1047 CA THR A 66 3.509 -4.366 6.133 1.00 0.45 C ATOM 1048 C THR A 66 2.732 -3.102 5.986 1.00 0.43 C ATOM 1049 O THR A 66 2.529 -2.355 6.942 1.00 0.58 O ATOM 1050 CB THR A 66 3.014 -5.272 7.219 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.514 -6.601 7.196 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.500 -5.515 7.091 1.00 0.78 C ATOM 0 H THR A 66 5.141 -3.579 7.156 1.00 0.45 H new ATOM 0 HA THR A 66 3.368 -4.971 5.238 1.00 0.45 H new ATOM 0 HB THR A 66 3.341 -4.741 8.113 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.133 -7.107 7.944 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.169 -6.176 7.892 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.972 -4.564 7.163 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.286 -5.977 6.127 1.00 0.78 H new ATOM 1060 N LEU A 67 2.193 -2.873 4.777 1.00 0.38 N ATOM 1061 CA LEU A 67 1.265 -1.840 4.435 1.00 0.38 C ATOM 1062 C LEU A 67 -0.045 -2.483 4.735 1.00 0.37 C ATOM 1063 O LEU A 67 -0.259 -3.681 4.558 1.00 0.50 O ATOM 1064 CB LEU A 67 1.237 -1.463 2.944 1.00 0.46 C ATOM 1065 CG LEU A 67 2.588 -1.053 2.335 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.419 -0.296 1.006 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.355 -0.158 3.324 1.00 1.31 C ATOM 0 H LEU A 67 2.425 -3.458 3.974 1.00 0.38 H new ATOM 0 HA LEU A 67 1.516 -0.923 4.968 1.00 0.38 H new ATOM 0 HB2 LEU A 67 0.848 -2.311 2.381 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.534 -0.641 2.809 1.00 0.46 H new ATOM 0 HG LEU A 67 3.144 -1.969 2.136 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.400 -0.027 0.613 1.00 1.40 H new ATOM 0 HD12 LEU A 67 1.903 -0.933 0.288 1.00 1.40 H new ATOM 0 HD13 LEU A 67 1.835 0.609 1.174 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.312 0.130 2.888 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.769 0.736 3.535 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.529 -0.705 4.251 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.997 -1.635 5.164 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.294 -2.064 5.588 1.00 0.37 C ATOM 1081 C HIS A 68 -3.267 -1.643 4.540 1.00 0.35 C ATOM 1082 O HIS A 68 -3.466 -0.454 4.294 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.724 -1.473 6.941 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.999 -1.943 8.168 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.710 -1.556 8.473 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.351 -2.861 9.108 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.378 -2.183 9.633 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.324 -3.021 10.015 1.00 1.51 N ATOM 0 H HIS A 68 -0.862 -0.625 5.218 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.265 -3.145 5.722 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.618 -0.390 6.883 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.785 -1.683 7.077 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.294 -3.386 9.140 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.542 -2.017 10.173 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.300 -3.655 10.814 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.898 -2.574 3.802 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.807 -2.145 2.786 1.00 0.38 C ATOM 1098 C LEU A 69 -6.171 -1.961 3.359 1.00 0.41 C ATOM 1099 O LEU A 69 -6.877 -2.922 3.659 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.861 -3.250 1.718 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.707 -3.026 0.453 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.149 -1.920 -0.459 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.795 -4.328 -0.359 1.00 1.14 C ATOM 0 H LEU A 69 -3.787 -3.583 3.901 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.475 -1.197 2.362 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.838 -3.449 1.398 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.226 -4.157 2.201 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.692 -2.711 0.797 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.791 -1.811 -1.333 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.119 -0.978 0.088 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.142 -2.186 -0.779 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.396 -4.160 -1.253 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.793 -4.644 -0.650 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.259 -5.105 0.249 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.606 -0.689 3.405 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.906 -0.352 3.895 1.00 0.56 C ATOM 1117 C VAL A 70 -8.619 0.106 2.670 1.00 0.55 C ATOM 1118 O VAL A 70 -8.214 1.001 1.930 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.829 0.755 4.905 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.193 1.271 5.393 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.131 0.205 6.159 1.00 0.97 C ATOM 0 H VAL A 70 -6.052 0.112 3.100 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.400 -1.182 4.400 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.307 1.574 4.409 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.041 2.069 6.120 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.761 1.655 4.546 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.745 0.455 5.860 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.062 0.991 6.911 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.706 -0.630 6.559 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.129 -0.136 5.898 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.720 -0.600 2.354 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.475 -0.285 1.181 1.00 0.84 C ATOM 1133 C LEU A 71 -11.810 0.318 1.451 1.00 0.85 C ATOM 1134 O LEU A 71 -12.589 -0.102 2.305 1.00 1.03 O ATOM 1135 CB LEU A 71 -10.721 -1.589 0.405 1.00 1.26 C ATOM 1136 CG LEU A 71 -9.397 -2.183 -0.105 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -9.612 -3.591 -0.685 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -8.716 -1.244 -1.115 1.00 2.78 C ATOM 0 H LEU A 71 -10.084 -1.379 2.903 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.889 0.451 0.630 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.224 -2.311 1.049 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.386 -1.396 -0.437 1.00 1.26 H new ATOM 0 HG LEU A 71 -8.722 -2.281 0.745 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -8.660 -3.988 -1.038 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.014 -4.246 0.088 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.315 -3.539 -1.517 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -7.783 -1.692 -1.457 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.376 -1.086 -1.968 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.505 -0.287 -0.637 1.00 2.78 H new ATOM 1150 N ARG A 72 -12.154 1.299 0.597 1.00 0.92 N ATOM 1151 CA ARG A 72 -13.344 2.087 0.690 1.00 1.10 C ATOM 1152 C ARG A 72 -14.552 1.614 -0.042 1.00 1.35 C ATOM 1153 O ARG A 72 -14.595 1.434 -1.259 1.00 1.56 O ATOM 1154 CB ARG A 72 -13.009 3.561 0.404 1.00 1.34 C ATOM 1155 CG ARG A 72 -14.075 4.610 0.727 1.00 1.65 C ATOM 1156 CD ARG A 72 -13.529 5.999 0.391 1.00 1.99 C ATOM 1157 NE ARG A 72 -14.617 7.015 0.480 1.00 2.54 N ATOM 1158 CZ ARG A 72 -14.404 8.332 0.195 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -13.279 8.739 -0.462 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -15.410 9.223 0.439 1.00 3.75 N ATOM 0 H ARG A 72 -11.571 1.555 -0.200 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.676 1.963 1.721 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -12.109 3.815 0.964 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -12.762 3.649 -0.654 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -14.981 4.414 0.154 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -14.347 4.558 1.781 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -12.723 6.257 1.078 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -13.104 5.998 -0.613 1.00 1.99 H new ATOM 0 HE ARG A 72 -15.550 6.716 0.763 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -12.580 8.054 -0.749 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -13.137 9.728 -0.666 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -16.296 8.898 0.826 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -15.275 10.213 0.234 1.00 3.75 H new ATOM 1174 N LEU A 73 -15.715 1.541 0.629 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.983 1.328 0.003 1.00 1.93 C ATOM 1176 C LEU A 73 -17.625 2.566 -0.525 1.00 2.13 C ATOM 1177 O LEU A 73 -17.483 3.676 -0.017 1.00 2.57 O ATOM 1178 CB LEU A 73 -18.004 0.586 0.883 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.573 -0.799 1.394 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.418 -1.236 2.604 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.676 -1.976 0.409 1.00 3.14 C ATOM 0 H LEU A 73 -15.775 1.633 1.643 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.716 0.690 -0.839 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -18.235 1.213 1.744 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -18.927 0.471 0.315 1.00 2.23 H new ATOM 0 HG LEU A 73 -16.520 -0.624 1.613 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -18.089 -2.219 2.942 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -18.296 -0.515 3.412 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.468 -1.284 2.316 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -17.341 -2.890 0.899 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.712 -2.094 0.090 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -17.048 -1.779 -0.460 1.00 3.14 H new ATOM 1193 N ARG A 74 -18.466 2.356 -1.552 1.00 2.32 N ATOM 1194 CA ARG A 74 -19.195 3.400 -2.203 1.00 2.55 C ATOM 1195 C ARG A 74 -20.510 3.422 -1.501 1.00 2.58 C ATOM 1196 O ARG A 74 -20.907 2.450 -0.861 1.00 3.08 O ATOM 1197 CB ARG A 74 -19.279 3.363 -3.738 1.00 3.29 C ATOM 1198 CG ARG A 74 -19.808 2.037 -4.288 1.00 4.01 C ATOM 1199 CD ARG A 74 -19.189 1.485 -5.574 1.00 4.67 C ATOM 1200 NE ARG A 74 -19.574 2.346 -6.728 1.00 5.36 N ATOM 1201 CZ ARG A 74 -18.787 2.823 -7.736 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -17.621 2.178 -8.032 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -19.171 4.012 -8.286 1.00 6.80 N ATOM 0 H ARG A 74 -18.645 1.431 -1.942 1.00 2.32 H new ATOM 0 HA ARG A 74 -18.652 4.341 -2.111 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -19.925 4.172 -4.078 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -18.289 3.550 -4.153 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -19.687 1.283 -3.511 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -20.879 2.151 -4.457 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -18.104 1.450 -5.480 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -19.528 0.463 -5.742 1.00 4.67 H new ATOM 0 HE ARG A 74 -20.557 2.615 -6.770 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -17.347 1.350 -7.502 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -17.023 2.524 -8.783 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -20.003 4.489 -7.939 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -18.626 4.423 -9.044 1.00 6.80 H new ATOM 1217 N GLY A 75 -21.287 4.516 -1.589 1.00 2.73 N ATOM 1218 CA GLY A 75 -22.486 4.800 -0.862 1.00 3.22 C ATOM 1219 C GLY A 75 -22.257 5.152 0.567 1.00 3.16 C ATOM 1220 O GLY A 75 -22.751 6.219 0.927 1.00 3.57 O ATOM 0 H GLY A 75 -21.052 5.273 -2.231 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -23.008 5.623 -1.349 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -23.143 3.932 -0.911 1.00 3.22 H new ATOM 1224 N GLY A 76 -21.489 4.379 1.355 1.00 3.14 N ATOM 1225 CA GLY A 76 -21.177 4.623 2.729 1.00 3.37 C ATOM 1226 C GLY A 76 -19.691 4.764 3.029 1.00 3.48 C ATOM 1227 O GLY A 76 -19.181 3.977 3.869 1.00 3.87 O ATOM 1228 OXT GLY A 76 -19.018 5.717 2.553 1.00 3.70 O ATOM 0 H GLY A 76 -21.056 3.524 1.007 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -21.686 5.533 3.047 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -21.579 3.807 3.329 1.00 3.37 H new TER 1232 GLY A 76