USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 7 THR OG1 : rot 180:sc= 1.02 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0159 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -178:sc= 0.537 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 18:sc= 0.492 USER MOD Single : A 1 MET CE :methyl 175:sc= -0.703 (180deg=-0.825) USER MOD Single : A 1 MET N :NH3+ 174:sc= 2.31 (180deg=2.14) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.16) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.771 K(o=0.77,f=-0.89) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 1.2 (180deg=1.04) USER MOD Single : A 31 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.31) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.316 K(o=-0.32,f=-1) USER MOD Single : A 41 GLN : amide:sc= -0.433 K(o=-0.43,f=-4.2!) 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=-0.66) USER MOD Single : A 55 THR OG1 : rot 115:sc= 0.0477 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.831 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 0.87 (180deg=0.655) USER MOD Single : A 65 SER OG : rot 140:sc= 0 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.984 -4.884 -4.304 1.00 0.78 N ATOM 2 CA MET A 1 12.761 -5.478 -2.967 1.00 0.70 C ATOM 3 C MET A 1 11.324 -5.762 -2.693 1.00 0.62 C ATOM 4 O MET A 1 10.470 -5.067 -3.242 1.00 0.68 O ATOM 5 CB MET A 1 13.263 -4.569 -1.833 1.00 0.75 C ATOM 6 CG MET A 1 12.463 -3.275 -1.666 1.00 0.79 C ATOM 7 SD MET A 1 13.148 -2.005 -0.560 1.00 1.10 S ATOM 8 CE MET A 1 11.726 -0.937 -0.930 1.00 0.84 C ATOM 0 H1 MET A 1 13.984 -4.614 -4.402 1.00 0.78 H new ATOM 0 H2 MET A 1 12.740 -5.579 -5.038 1.00 0.78 H new ATOM 0 H3 MET A 1 12.385 -4.041 -4.413 1.00 0.78 H new ATOM 0 HA MET A 1 13.327 -6.409 -2.988 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.233 -5.125 -0.896 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.307 -4.316 -2.020 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.334 -2.829 -2.652 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.469 -3.538 -1.303 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.776 -0.039 -0.314 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.746 -0.657 -1.983 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.802 -1.474 -0.715 1.00 0.84 H new ATOM 20 N GLN A 2 10.975 -6.781 -1.888 1.00 0.59 N ATOM 21 CA GLN A 2 9.593 -7.091 -1.692 1.00 0.56 C ATOM 22 C GLN A 2 9.043 -6.507 -0.436 1.00 0.50 C ATOM 23 O GLN A 2 9.758 -6.350 0.553 1.00 0.60 O ATOM 24 CB GLN A 2 9.268 -8.593 -1.614 1.00 0.71 C ATOM 25 CG GLN A 2 10.122 -9.447 -0.675 1.00 1.15 C ATOM 26 CD GLN A 2 9.640 -10.890 -0.730 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.534 -11.457 -1.816 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.243 -11.412 0.461 1.00 1.72 N ATOM 0 H GLN A 2 11.631 -7.377 -1.384 1.00 0.59 H new ATOM 0 HA GLN A 2 9.138 -6.658 -2.583 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.226 -8.698 -1.311 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.351 -9.009 -2.618 1.00 0.71 H new ATOM 0 HG2 GLN A 2 11.171 -9.390 -0.966 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.053 -9.067 0.344 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.366 -10.875 1.320 1.00 1.72 H new ATOM 0 HE22 GLN A 2 8.822 -12.340 0.496 1.00 1.72 H new ATOM 37 N ILE A 3 7.751 -6.139 -0.369 1.00 0.44 N ATOM 38 CA ILE A 3 7.079 -5.726 0.824 1.00 0.42 C ATOM 39 C ILE A 3 5.814 -6.509 0.894 1.00 0.40 C ATOM 40 O ILE A 3 5.391 -7.219 -0.017 1.00 0.50 O ATOM 41 CB ILE A 3 6.877 -4.239 0.812 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.140 -3.718 -0.432 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.223 -3.518 0.990 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.671 -2.267 -0.346 1.00 0.72 C ATOM 0 H ILE A 3 7.144 -6.129 -1.189 1.00 0.44 H new ATOM 0 HA ILE A 3 7.661 -5.926 1.724 1.00 0.42 H new ATOM 0 HB ILE A 3 6.224 -4.014 1.655 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.798 -3.820 -1.295 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.274 -4.354 -0.615 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.062 -2.440 0.979 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.669 -3.809 1.941 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.893 -3.793 0.176 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.163 -1.993 -1.271 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.983 -2.156 0.492 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.532 -1.615 -0.198 1.00 0.72 H new ATOM 56 N PHE A 4 5.157 -6.425 2.065 1.00 0.37 N ATOM 57 CA PHE A 4 3.922 -7.105 2.303 1.00 0.38 C ATOM 58 C PHE A 4 2.739 -6.215 2.470 1.00 0.39 C ATOM 59 O PHE A 4 2.735 -5.314 3.308 1.00 0.60 O ATOM 60 CB PHE A 4 3.881 -8.128 3.451 1.00 0.45 C ATOM 61 CG PHE A 4 5.101 -8.983 3.444 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.152 -10.062 2.593 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.161 -8.818 4.304 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.257 -10.863 2.432 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.247 -9.660 4.261 1.00 1.40 C ATOM 66 CZ PHE A 4 7.325 -10.596 3.256 1.00 0.85 C ATOM 0 H PHE A 4 5.488 -5.877 2.859 1.00 0.37 H new ATOM 0 HA PHE A 4 3.864 -7.658 1.365 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.802 -7.607 4.405 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.993 -8.753 3.355 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.269 -10.294 2.016 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.140 -8.014 5.025 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.285 -11.657 1.700 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.027 -9.588 5.005 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.249 -11.135 3.110 1.00 0.85 H new ATOM 76 N VAL A 5 1.675 -6.444 1.679 1.00 0.35 N ATOM 77 CA VAL A 5 0.441 -5.739 1.836 1.00 0.35 C ATOM 78 C VAL A 5 -0.640 -6.677 2.251 1.00 0.35 C ATOM 79 O VAL A 5 -0.944 -7.737 1.707 1.00 0.46 O ATOM 80 CB VAL A 5 0.023 -4.962 0.623 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.183 -4.044 0.884 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.213 -4.114 0.144 1.00 0.56 C ATOM 0 H VAL A 5 1.671 -7.127 0.921 1.00 0.35 H new ATOM 0 HA VAL A 5 0.613 -5.000 2.618 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.283 -5.681 -0.137 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.438 -3.509 -0.031 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.035 -4.644 1.202 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.932 -3.327 1.666 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.922 -3.544 -0.738 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.514 -3.428 0.936 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.048 -4.768 -0.106 1.00 0.56 H new ATOM 92 N LYS A 6 -1.113 -6.365 3.471 1.00 0.36 N ATOM 93 CA LYS A 6 -2.165 -7.057 4.148 1.00 0.39 C ATOM 94 C LYS A 6 -3.498 -6.451 3.877 1.00 0.46 C ATOM 95 O LYS A 6 -3.689 -5.295 4.253 1.00 0.53 O ATOM 96 CB LYS A 6 -1.887 -6.938 5.656 1.00 0.54 C ATOM 97 CG LYS A 6 -0.599 -7.582 6.173 1.00 1.22 C ATOM 98 CD LYS A 6 -0.608 -9.090 5.914 1.00 1.37 C ATOM 99 CE LYS A 6 0.466 -9.762 6.771 1.00 1.93 C ATOM 100 NZ LYS A 6 0.176 -11.207 6.904 1.00 2.09 N ATOM 0 H LYS A 6 -0.740 -5.587 4.014 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.188 -8.090 3.801 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.865 -5.879 5.915 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.727 -7.380 6.192 1.00 0.54 H new ATOM 0 HG2 LYS A 6 0.263 -7.129 5.683 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.495 -7.392 7.241 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.588 -9.504 6.150 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.423 -9.289 4.858 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.447 -9.620 6.317 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.500 -9.297 7.756 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.891 -11.650 7.515 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.766 -11.335 7.325 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.199 -11.654 5.965 1.00 2.09 H new ATOM 114 N THR A 7 -4.444 -7.197 3.279 1.00 0.58 N ATOM 115 CA THR A 7 -5.765 -6.782 2.920 1.00 0.78 C ATOM 116 C THR A 7 -6.652 -6.691 4.114 1.00 0.94 C ATOM 117 O THR A 7 -6.304 -7.061 5.234 1.00 0.99 O ATOM 118 CB THR A 7 -6.395 -7.600 1.833 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.594 -8.930 2.287 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.505 -7.693 0.582 1.00 0.92 C ATOM 0 H THR A 7 -4.269 -8.170 3.027 1.00 0.58 H new ATOM 0 HA THR A 7 -5.647 -5.784 2.498 1.00 0.78 H new ATOM 0 HB THR A 7 -7.333 -7.106 1.580 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.007 -9.461 1.574 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.005 -8.295 -0.176 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.324 -6.693 0.189 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.555 -8.157 0.845 1.00 0.92 H new ATOM 128 N LEU A 8 -7.915 -6.295 3.877 1.00 1.17 N ATOM 129 CA LEU A 8 -8.848 -6.235 4.959 1.00 1.39 C ATOM 130 C LEU A 8 -9.071 -7.553 5.620 1.00 1.44 C ATOM 131 O LEU A 8 -9.113 -7.631 6.848 1.00 1.60 O ATOM 132 CB LEU A 8 -10.196 -5.642 4.520 1.00 1.66 C ATOM 133 CG LEU A 8 -10.126 -4.127 4.268 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.281 -3.642 3.375 1.00 2.53 C ATOM 135 CD2 LEU A 8 -10.187 -3.398 5.620 1.00 2.43 C ATOM 0 H LEU A 8 -8.283 -6.024 2.965 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.389 -5.573 5.693 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.529 -6.142 3.610 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.944 -5.844 5.287 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.192 -3.908 3.751 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.195 -2.566 3.221 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.235 -4.151 2.412 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.232 -3.864 3.858 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -10.138 -2.322 5.455 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.120 -3.646 6.125 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -9.346 -3.709 6.239 1.00 2.43 H new ATOM 147 N THR A 9 -9.164 -8.603 4.786 1.00 1.41 N ATOM 148 CA THR A 9 -9.344 -9.908 5.342 1.00 1.51 C ATOM 149 C THR A 9 -8.115 -10.635 5.767 1.00 1.37 C ATOM 150 O THR A 9 -8.215 -11.279 6.810 1.00 1.62 O ATOM 151 CB THR A 9 -10.113 -10.812 4.426 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.613 -10.672 3.104 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.590 -10.384 4.386 1.00 2.08 C ATOM 0 H THR A 9 -9.117 -8.556 3.768 1.00 1.41 H new ATOM 0 HA THR A 9 -9.901 -9.681 6.251 1.00 1.51 H new ATOM 0 HB THR A 9 -10.014 -11.836 4.787 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.112 -11.263 2.501 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.142 -11.045 3.718 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.013 -10.444 5.389 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.662 -9.359 4.023 1.00 2.08 H new ATOM 161 N GLY A 10 -7.019 -10.506 4.997 1.00 1.18 N ATOM 162 CA GLY A 10 -5.813 -11.122 5.452 1.00 1.22 C ATOM 163 C GLY A 10 -5.068 -11.775 4.339 1.00 0.99 C ATOM 164 O GLY A 10 -4.411 -12.791 4.565 1.00 1.31 O ATOM 0 H GLY A 10 -6.965 -10.006 4.110 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.178 -10.372 5.923 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.050 -11.864 6.215 1.00 1.22 H new ATOM 168 N LYS A 11 -5.164 -11.288 3.089 1.00 0.73 N ATOM 169 CA LYS A 11 -4.368 -11.864 2.049 1.00 0.60 C ATOM 170 C LYS A 11 -3.031 -11.208 2.007 1.00 0.51 C ATOM 171 O LYS A 11 -3.006 -9.979 1.959 1.00 0.63 O ATOM 172 CB LYS A 11 -5.089 -11.829 0.691 1.00 0.75 C ATOM 173 CG LYS A 11 -4.590 -12.866 -0.318 1.00 0.87 C ATOM 174 CD LYS A 11 -5.332 -12.644 -1.637 1.00 1.04 C ATOM 175 CE LYS A 11 -5.089 -13.734 -2.683 1.00 1.30 C ATOM 176 NZ LYS A 11 -3.875 -13.451 -3.482 1.00 1.40 N ATOM 0 H LYS A 11 -5.772 -10.520 2.803 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.212 -12.919 2.274 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.155 -11.984 0.856 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.975 -10.835 0.258 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.515 -12.766 -0.465 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.769 -13.875 0.054 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.401 -12.583 -1.434 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.031 -11.683 -2.053 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.984 -14.699 -2.188 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.953 -13.806 -3.343 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -3.465 -14.345 -3.819 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -4.127 -12.857 -4.297 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -3.179 -12.952 -2.892 1.00 1.40 H new ATOM 190 N THR A 12 -1.914 -11.957 1.962 1.00 0.49 N ATOM 191 CA THR A 12 -0.661 -11.276 1.861 1.00 0.48 C ATOM 192 C THR A 12 -0.306 -11.108 0.424 1.00 0.52 C ATOM 193 O THR A 12 0.051 -12.094 -0.219 1.00 0.72 O ATOM 194 CB THR A 12 0.444 -11.979 2.593 1.00 0.64 C ATOM 195 OG1 THR A 12 0.284 -12.023 4.003 1.00 0.77 O ATOM 196 CG2 THR A 12 1.719 -11.134 2.441 1.00 0.78 C ATOM 0 H THR A 12 -1.874 -12.976 1.993 1.00 0.49 H new ATOM 0 HA THR A 12 -0.776 -10.302 2.336 1.00 0.48 H new ATOM 0 HB THR A 12 0.464 -12.987 2.178 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.651 -11.838 4.232 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.542 -11.620 2.964 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.967 -11.037 1.384 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.553 -10.145 2.867 1.00 0.78 H new ATOM 204 N ILE A 13 -0.309 -9.856 -0.065 1.00 0.48 N ATOM 205 CA ILE A 13 0.029 -9.497 -1.408 1.00 0.55 C ATOM 206 C ILE A 13 1.468 -9.127 -1.295 1.00 0.51 C ATOM 207 O ILE A 13 1.805 -8.189 -0.574 1.00 0.56 O ATOM 208 CB ILE A 13 -0.715 -8.347 -2.019 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.223 -8.347 -1.717 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.376 -8.286 -3.519 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.965 -9.606 -2.164 1.00 1.55 C ATOM 0 H ILE A 13 -0.561 -9.050 0.507 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.224 -10.327 -2.067 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.379 -7.423 -1.548 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.365 -8.220 -0.644 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.677 -7.483 -2.202 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.909 -7.454 -3.979 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.697 -8.142 -3.644 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.675 -9.218 -3.998 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.021 -9.516 -1.910 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.860 -9.726 -3.242 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.543 -10.475 -1.659 1.00 1.55 H new ATOM 223 N THR A 14 2.336 -9.883 -1.991 1.00 0.55 N ATOM 224 CA THR A 14 3.752 -9.688 -1.960 1.00 0.54 C ATOM 225 C THR A 14 4.095 -8.939 -3.201 1.00 0.55 C ATOM 226 O THR A 14 3.963 -9.515 -4.280 1.00 0.72 O ATOM 227 CB THR A 14 4.612 -10.917 -1.969 1.00 0.67 C ATOM 228 OG1 THR A 14 4.193 -11.794 -0.932 1.00 1.08 O ATOM 229 CG2 THR A 14 6.064 -10.571 -1.597 1.00 1.03 C ATOM 0 H THR A 14 2.044 -10.653 -2.593 1.00 0.55 H new ATOM 0 HA THR A 14 3.958 -9.190 -1.013 1.00 0.54 H new ATOM 0 HB THR A 14 4.535 -11.352 -2.965 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.753 -12.598 -0.938 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.669 -11.478 -1.610 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.464 -9.858 -2.317 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.089 -10.132 -0.600 1.00 1.03 H new ATOM 237 N LEU A 15 4.392 -7.632 -3.099 1.00 0.50 N ATOM 238 CA LEU A 15 4.690 -6.815 -4.234 1.00 0.55 C ATOM 239 C LEU A 15 6.160 -6.585 -4.321 1.00 0.52 C ATOM 240 O LEU A 15 6.793 -6.422 -3.279 1.00 0.58 O ATOM 241 CB LEU A 15 3.941 -5.474 -4.319 1.00 0.69 C ATOM 242 CG LEU A 15 2.405 -5.562 -4.327 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.903 -4.152 -3.971 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.733 -5.980 -5.647 1.00 1.55 C ATOM 0 H LEU A 15 4.426 -7.132 -2.210 1.00 0.50 H new ATOM 0 HA LEU A 15 4.325 -7.386 -5.088 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.246 -4.855 -3.475 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.261 -4.958 -5.224 1.00 0.69 H new ATOM 0 HG LEU A 15 2.139 -6.354 -3.627 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.813 -4.146 -3.960 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.278 -3.870 -2.987 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.262 -3.440 -4.714 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.651 -6.002 -5.514 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.988 -5.264 -6.428 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.083 -6.971 -5.936 1.00 1.55 H new ATOM 256 N GLU A 16 6.763 -6.476 -5.518 1.00 0.59 N ATOM 257 CA GLU A 16 8.123 -6.054 -5.639 1.00 0.63 C ATOM 258 C GLU A 16 8.090 -4.576 -5.827 1.00 0.65 C ATOM 259 O GLU A 16 7.213 -4.094 -6.542 1.00 0.81 O ATOM 260 CB GLU A 16 8.702 -6.804 -6.851 1.00 0.76 C ATOM 261 CG GLU A 16 10.230 -6.744 -6.906 1.00 1.41 C ATOM 262 CD GLU A 16 11.003 -7.698 -6.005 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.781 -8.934 -5.917 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.803 -7.095 -5.240 1.00 1.95 O ATOM 0 H GLU A 16 6.306 -6.681 -6.406 1.00 0.59 H new ATOM 0 HA GLU A 16 8.747 -6.272 -4.773 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.384 -7.846 -6.814 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.292 -6.378 -7.767 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.537 -6.930 -7.935 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.536 -5.727 -6.661 1.00 1.41 H new ATOM 271 N VAL A 17 8.990 -3.795 -5.204 1.00 0.61 N ATOM 272 CA VAL A 17 8.935 -2.370 -5.317 1.00 0.63 C ATOM 273 C VAL A 17 10.391 -2.052 -5.359 1.00 0.65 C ATOM 274 O VAL A 17 11.258 -2.919 -5.257 1.00 0.76 O ATOM 275 CB VAL A 17 8.293 -1.663 -4.160 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.862 -2.217 -4.051 1.00 0.96 C ATOM 277 CG2 VAL A 17 9.056 -2.034 -2.878 1.00 0.92 C ATOM 0 H VAL A 17 9.752 -4.147 -4.625 1.00 0.61 H new ATOM 0 HA VAL A 17 8.330 -2.049 -6.165 1.00 0.63 H new ATOM 0 HB VAL A 17 8.299 -0.581 -4.295 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.347 -1.734 -3.220 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.323 -2.018 -4.977 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.900 -3.292 -3.878 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.603 -1.528 -2.025 1.00 0.92 H new ATOM 0 HG22 VAL A 17 9.010 -3.112 -2.727 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.097 -1.725 -2.972 1.00 0.92 H new ATOM 287 N GLU A 18 10.743 -0.755 -5.416 1.00 0.68 N ATOM 288 CA GLU A 18 12.043 -0.182 -5.254 1.00 0.74 C ATOM 289 C GLU A 18 11.894 0.847 -4.187 1.00 0.71 C ATOM 290 O GLU A 18 10.777 1.299 -3.938 1.00 0.74 O ATOM 291 CB GLU A 18 12.583 0.526 -6.507 1.00 0.88 C ATOM 292 CG GLU A 18 13.051 -0.493 -7.549 1.00 1.16 C ATOM 293 CD GLU A 18 14.416 -1.094 -7.246 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.296 -0.433 -6.632 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.577 -2.322 -7.480 1.00 2.35 O ATOM 0 H GLU A 18 10.042 -0.036 -5.594 1.00 0.68 H new ATOM 0 HA GLU A 18 12.746 -0.984 -5.027 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.806 1.160 -6.935 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.412 1.179 -6.233 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.317 -1.296 -7.615 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.085 -0.011 -8.526 1.00 1.16 H new ATOM 302 N PRO A 19 12.888 1.336 -3.507 1.00 0.74 N ATOM 303 CA PRO A 19 12.856 2.395 -2.540 1.00 0.74 C ATOM 304 C PRO A 19 12.424 3.678 -3.163 1.00 0.70 C ATOM 305 O PRO A 19 11.925 4.547 -2.449 1.00 0.74 O ATOM 306 CB PRO A 19 14.265 2.647 -2.011 1.00 0.86 C ATOM 307 CG PRO A 19 14.960 1.303 -2.278 1.00 0.95 C ATOM 308 CD PRO A 19 14.175 0.663 -3.433 1.00 0.82 C ATOM 0 HA PRO A 19 12.165 2.092 -1.754 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.755 3.469 -2.533 1.00 0.86 H new ATOM 0 HB3 PRO A 19 14.262 2.900 -0.951 1.00 0.86 H new ATOM 0 HG2 PRO A 19 16.006 1.448 -2.546 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.943 0.669 -1.392 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.718 0.769 -4.372 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.041 -0.405 -3.261 1.00 0.82 H new ATOM 316 N SER A 20 12.593 3.753 -4.495 1.00 0.70 N ATOM 317 CA SER A 20 12.223 4.922 -5.230 1.00 0.74 C ATOM 318 C SER A 20 10.777 4.955 -5.588 1.00 0.71 C ATOM 319 O SER A 20 10.349 5.982 -6.113 1.00 0.80 O ATOM 320 CB SER A 20 13.075 5.072 -6.501 1.00 0.89 C ATOM 321 OG SER A 20 13.225 3.830 -7.175 1.00 1.45 O ATOM 0 H SER A 20 12.986 3.003 -5.064 1.00 0.70 H new ATOM 0 HA SER A 20 12.413 5.763 -4.564 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.609 5.796 -7.169 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.057 5.466 -6.238 1.00 0.89 H new ATOM 0 HG SER A 20 13.770 3.958 -7.980 1.00 1.45 H new ATOM 327 N ASP A 21 9.976 3.906 -5.326 1.00 0.70 N ATOM 328 CA ASP A 21 8.581 3.905 -5.638 1.00 0.73 C ATOM 329 C ASP A 21 7.766 4.614 -4.612 1.00 0.64 C ATOM 330 O ASP A 21 7.918 4.366 -3.417 1.00 0.66 O ATOM 331 CB ASP A 21 8.110 2.447 -5.780 1.00 0.87 C ATOM 332 CG ASP A 21 8.478 1.809 -7.112 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.056 2.368 -8.159 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.147 0.744 -7.189 1.00 1.69 O ATOM 0 H ASP A 21 10.303 3.044 -4.890 1.00 0.70 H new ATOM 0 HA ASP A 21 8.440 4.446 -6.574 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.542 1.855 -4.973 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.028 2.411 -5.657 1.00 0.87 H new ATOM 339 N THR A 22 6.767 5.298 -5.198 1.00 0.63 N ATOM 340 CA THR A 22 5.754 6.004 -4.476 1.00 0.58 C ATOM 341 C THR A 22 4.574 5.168 -4.117 1.00 0.53 C ATOM 342 O THR A 22 4.430 4.053 -4.615 1.00 0.58 O ATOM 343 CB THR A 22 5.217 7.204 -5.197 1.00 0.63 C ATOM 344 OG1 THR A 22 4.577 6.853 -6.414 1.00 0.70 O ATOM 345 CG2 THR A 22 6.317 8.181 -5.647 1.00 0.75 C ATOM 0 H THR A 22 6.661 5.362 -6.210 1.00 0.63 H new ATOM 0 HA THR A 22 6.288 6.311 -3.577 1.00 0.58 H new ATOM 0 HB THR A 22 4.541 7.653 -4.469 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.240 7.662 -6.852 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.863 9.028 -6.162 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.865 8.538 -4.775 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.003 7.670 -6.323 1.00 0.75 H new ATOM 353 N ILE A 23 3.758 5.698 -3.188 1.00 0.51 N ATOM 354 CA ILE A 23 2.549 5.091 -2.725 1.00 0.48 C ATOM 355 C ILE A 23 1.552 4.946 -3.822 1.00 0.48 C ATOM 356 O ILE A 23 0.893 3.918 -3.971 1.00 0.51 O ATOM 357 CB ILE A 23 2.033 5.737 -1.473 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.114 5.528 -0.400 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.728 5.177 -0.880 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.724 4.136 -0.231 1.00 0.73 C ATOM 0 H ILE A 23 3.951 6.593 -2.738 1.00 0.51 H new ATOM 0 HA ILE A 23 2.775 4.069 -2.420 1.00 0.48 H new ATOM 0 HB ILE A 23 1.812 6.768 -1.749 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.928 6.222 -0.612 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.688 5.820 0.560 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.469 5.734 0.021 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.075 5.275 -1.610 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.864 4.125 -0.630 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.468 4.159 0.565 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.940 3.424 0.026 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.199 3.831 -1.163 1.00 0.73 H new ATOM 372 N GLU A 24 1.463 5.921 -4.743 1.00 0.50 N ATOM 373 CA GLU A 24 0.708 5.732 -5.944 1.00 0.53 C ATOM 374 C GLU A 24 1.024 4.561 -6.810 1.00 0.50 C ATOM 375 O GLU A 24 0.146 3.827 -7.260 1.00 0.55 O ATOM 376 CB GLU A 24 0.823 7.042 -6.740 1.00 0.64 C ATOM 377 CG GLU A 24 -0.055 7.079 -7.993 1.00 0.95 C ATOM 378 CD GLU A 24 0.192 8.334 -8.818 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.233 9.404 -8.307 1.00 1.56 O ATOM 380 OE2 GLU A 24 0.615 8.324 -10.005 1.00 1.62 O ATOM 0 H GLU A 24 1.910 6.834 -4.659 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.304 5.485 -5.621 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.552 7.876 -6.092 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.863 7.190 -7.031 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.144 6.198 -8.603 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.105 7.035 -7.703 1.00 0.95 H new ATOM 387 N ASN A 25 2.298 4.209 -7.060 1.00 0.51 N ATOM 388 CA ASN A 25 2.769 3.134 -7.878 1.00 0.52 C ATOM 389 C ASN A 25 2.340 1.809 -7.350 1.00 0.47 C ATOM 390 O ASN A 25 1.906 0.936 -8.099 1.00 0.53 O ATOM 391 CB ASN A 25 4.303 3.132 -7.987 1.00 0.64 C ATOM 392 CG ASN A 25 4.825 4.442 -8.558 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.116 5.335 -9.020 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.182 4.513 -8.619 1.00 1.57 N ATOM 0 H ASN A 25 3.072 4.730 -6.648 1.00 0.51 H new ATOM 0 HA ASN A 25 2.331 3.295 -8.863 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.738 2.965 -7.002 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.622 2.305 -8.621 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.631 5.318 -9.054 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.750 3.761 -8.229 1.00 1.57 H new ATOM 401 N VAL A 26 2.308 1.673 -6.011 1.00 0.45 N ATOM 402 CA VAL A 26 1.784 0.596 -5.232 1.00 0.44 C ATOM 403 C VAL A 26 0.331 0.342 -5.444 1.00 0.40 C ATOM 404 O VAL A 26 -0.107 -0.792 -5.631 1.00 0.44 O ATOM 405 CB VAL A 26 1.909 0.705 -3.740 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.263 -0.483 -3.009 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.425 0.641 -3.493 1.00 0.62 C ATOM 0 H VAL A 26 2.694 2.403 -5.412 1.00 0.45 H new ATOM 0 HA VAL A 26 2.424 -0.203 -5.605 1.00 0.44 H new ATOM 0 HB VAL A 26 1.418 1.608 -3.376 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.381 -0.356 -1.933 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.202 -0.528 -3.255 1.00 0.60 H new ATOM 0 HG13 VAL A 26 1.747 -1.409 -3.320 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.623 0.713 -2.424 1.00 0.62 H new ATOM 0 HG22 VAL A 26 3.816 -0.304 -3.871 1.00 0.62 H new ATOM 0 HG23 VAL A 26 3.913 1.468 -4.009 1.00 0.62 H new ATOM 417 N LYS A 27 -0.480 1.414 -5.397 1.00 0.40 N ATOM 418 CA LYS A 27 -1.854 1.369 -5.789 1.00 0.41 C ATOM 419 C LYS A 27 -2.104 0.879 -7.174 1.00 0.38 C ATOM 420 O LYS A 27 -3.062 0.165 -7.466 1.00 0.42 O ATOM 421 CB LYS A 27 -2.542 2.738 -5.650 1.00 0.51 C ATOM 422 CG LYS A 27 -2.531 3.200 -4.192 1.00 0.76 C ATOM 423 CD LYS A 27 -3.034 4.636 -4.038 1.00 0.82 C ATOM 424 CE LYS A 27 -2.989 5.167 -2.604 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.561 6.503 -2.327 1.00 1.11 N ATOM 0 H LYS A 27 -0.173 2.333 -5.079 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.279 0.642 -5.096 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.032 3.472 -6.274 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.569 2.673 -6.009 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -3.154 2.533 -3.596 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.518 3.127 -3.797 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.436 5.289 -4.674 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.060 4.690 -4.401 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.505 4.447 -1.968 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.946 5.181 -2.289 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.502 6.701 -1.308 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.027 7.225 -2.851 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.557 6.523 -2.627 1.00 1.11 H new ATOM 439 N ALA A 28 -1.326 1.319 -8.179 1.00 0.39 N ATOM 440 CA ALA A 28 -1.401 0.779 -9.501 1.00 0.39 C ATOM 441 C ALA A 28 -1.009 -0.652 -9.644 1.00 0.36 C ATOM 442 O ALA A 28 -1.639 -1.382 -10.407 1.00 0.42 O ATOM 443 CB ALA A 28 -0.622 1.706 -10.449 1.00 0.51 C ATOM 0 H ALA A 28 -0.634 2.061 -8.072 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.456 0.753 -9.773 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.668 1.310 -11.464 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.064 2.702 -10.428 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.418 1.763 -10.128 1.00 0.51 H new ATOM 449 N LYS A 29 0.011 -1.062 -8.868 1.00 0.39 N ATOM 450 CA LYS A 29 0.413 -2.415 -8.639 1.00 0.43 C ATOM 451 C LYS A 29 -0.706 -3.269 -8.148 1.00 0.44 C ATOM 452 O LYS A 29 -1.020 -4.291 -8.756 1.00 0.54 O ATOM 453 CB LYS A 29 1.678 -2.664 -7.800 1.00 0.54 C ATOM 454 CG LYS A 29 2.970 -2.126 -8.419 1.00 0.65 C ATOM 455 CD LYS A 29 4.142 -2.024 -7.441 1.00 1.08 C ATOM 456 CE LYS A 29 5.428 -1.405 -7.992 1.00 1.24 C ATOM 457 NZ LYS A 29 6.154 -2.520 -8.637 1.00 1.44 N ATOM 0 H LYS A 29 0.597 -0.397 -8.364 1.00 0.39 H new ATOM 0 HA LYS A 29 0.708 -2.713 -9.645 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.543 -2.208 -6.819 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.787 -3.737 -7.640 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.259 -2.773 -9.248 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.775 -1.139 -8.838 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.820 -1.437 -6.581 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.372 -3.025 -7.076 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.208 -0.613 -8.708 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.022 -0.958 -7.195 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.915 -2.139 -9.235 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.563 -3.137 -7.906 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.495 -3.070 -9.224 1.00 1.44 H new ATOM 471 N ILE A 30 -1.429 -2.925 -7.067 1.00 0.41 N ATOM 472 CA ILE A 30 -2.561 -3.644 -6.573 1.00 0.44 C ATOM 473 C ILE A 30 -3.725 -3.820 -7.488 1.00 0.45 C ATOM 474 O ILE A 30 -4.380 -4.855 -7.587 1.00 0.56 O ATOM 475 CB ILE A 30 -3.022 -2.988 -5.305 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.870 -3.070 -4.288 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.318 -3.575 -4.723 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.114 -2.419 -2.928 1.00 1.32 C ATOM 0 H ILE A 30 -1.211 -2.100 -6.508 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.195 -4.661 -6.432 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.274 -1.953 -5.535 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.633 -4.121 -4.125 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.988 -2.609 -4.733 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.579 -3.043 -3.808 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.124 -3.467 -5.448 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.171 -4.632 -4.499 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.231 -2.543 -2.301 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.316 -1.356 -3.064 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.970 -2.892 -2.447 1.00 1.32 H new ATOM 490 N GLN A 31 -3.922 -2.764 -8.297 1.00 0.41 N ATOM 491 CA GLN A 31 -4.953 -2.719 -9.288 1.00 0.48 C ATOM 492 C GLN A 31 -4.660 -3.675 -10.392 1.00 0.52 C ATOM 493 O GLN A 31 -5.601 -4.207 -10.979 1.00 0.66 O ATOM 494 CB GLN A 31 -5.081 -1.316 -9.904 1.00 0.52 C ATOM 495 CG GLN A 31 -5.984 -1.184 -11.132 1.00 0.70 C ATOM 496 CD GLN A 31 -5.925 0.119 -11.917 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.833 0.594 -12.226 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.117 0.645 -12.307 1.00 1.43 N ATOM 0 H GLN A 31 -3.350 -1.920 -8.262 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.883 -2.986 -8.787 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.452 -0.639 -9.134 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.083 -0.972 -10.177 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.742 -1.998 -11.815 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.014 -1.334 -10.809 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.989 0.203 -12.016 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.139 1.482 -12.890 1.00 1.43 H new ATOM 507 N ASP A 32 -3.397 -3.865 -10.815 1.00 0.50 N ATOM 508 CA ASP A 32 -3.062 -4.953 -11.680 1.00 0.60 C ATOM 509 C ASP A 32 -3.221 -6.316 -11.101 1.00 0.65 C ATOM 510 O ASP A 32 -3.725 -7.275 -11.683 1.00 0.81 O ATOM 511 CB ASP A 32 -1.640 -4.709 -12.213 1.00 0.67 C ATOM 512 CG ASP A 32 -1.245 -5.706 -13.293 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.908 -5.696 -14.364 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.315 -6.509 -13.017 1.00 1.51 O ATOM 0 H ASP A 32 -2.611 -3.268 -10.559 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.792 -4.959 -12.490 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.574 -3.698 -12.615 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.930 -4.771 -11.388 1.00 0.67 H new ATOM 519 N LYS A 33 -2.802 -6.465 -9.831 1.00 0.62 N ATOM 520 CA LYS A 33 -2.825 -7.702 -9.112 1.00 0.73 C ATOM 521 C LYS A 33 -4.164 -8.338 -8.963 1.00 0.69 C ATOM 522 O LYS A 33 -4.583 -9.292 -9.615 1.00 0.83 O ATOM 523 CB LYS A 33 -2.205 -7.540 -7.714 1.00 0.85 C ATOM 524 CG LYS A 33 -0.683 -7.673 -7.645 1.00 1.31 C ATOM 525 CD LYS A 33 -0.112 -8.856 -8.429 1.00 1.71 C ATOM 526 CE LYS A 33 1.267 -9.207 -7.866 1.00 2.26 C ATOM 527 NZ LYS A 33 1.927 -10.292 -8.626 1.00 2.62 N ATOM 0 H LYS A 33 -2.431 -5.690 -9.281 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.234 -8.371 -9.737 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.484 -6.561 -7.324 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.647 -8.285 -7.052 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.234 -6.754 -8.021 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.387 -7.769 -6.600 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.779 -9.715 -8.354 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.034 -8.604 -9.487 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.899 -8.319 -7.882 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.165 -9.507 -6.823 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.857 -10.493 -8.207 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.338 -11.149 -8.590 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.050 -9.997 -9.616 1.00 2.62 H new ATOM 541 N GLU A 34 -4.897 -7.835 -7.953 1.00 0.63 N ATOM 542 CA GLU A 34 -6.139 -8.311 -7.428 1.00 0.67 C ATOM 543 C GLU A 34 -7.321 -7.615 -8.011 1.00 0.69 C ATOM 544 O GLU A 34 -8.418 -8.170 -7.960 1.00 0.95 O ATOM 545 CB GLU A 34 -6.130 -8.184 -5.896 1.00 0.73 C ATOM 546 CG GLU A 34 -5.124 -9.041 -5.123 1.00 0.83 C ATOM 547 CD GLU A 34 -5.333 -10.527 -5.375 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.360 -11.005 -5.926 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.389 -11.263 -4.982 1.00 1.37 O ATOM 0 H GLU A 34 -4.582 -7.004 -7.452 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.236 -9.359 -7.711 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.945 -7.139 -5.646 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.128 -8.427 -5.532 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.111 -8.762 -5.413 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.217 -8.837 -4.056 1.00 0.83 H new ATOM 556 N GLY A 35 -7.080 -6.393 -8.518 1.00 0.63 N ATOM 557 CA GLY A 35 -8.163 -5.719 -9.164 1.00 0.68 C ATOM 558 C GLY A 35 -8.956 -4.853 -8.248 1.00 0.76 C ATOM 559 O GLY A 35 -10.178 -4.787 -8.371 1.00 1.12 O ATOM 0 H GLY A 35 -6.191 -5.895 -8.486 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.768 -5.109 -9.976 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.824 -6.459 -9.614 1.00 0.68 H new ATOM 563 N ILE A 36 -8.263 -4.048 -7.422 1.00 0.70 N ATOM 564 CA ILE A 36 -8.934 -3.163 -6.522 1.00 0.76 C ATOM 565 C ILE A 36 -8.765 -1.814 -7.132 1.00 0.71 C ATOM 566 O ILE A 36 -7.634 -1.589 -7.559 1.00 0.73 O ATOM 567 CB ILE A 36 -8.330 -3.189 -5.148 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.335 -4.609 -4.557 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.075 -2.244 -4.191 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.836 -4.706 -3.116 1.00 1.16 C ATOM 0 H ILE A 36 -7.245 -4.010 -7.377 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.978 -3.448 -6.391 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.299 -2.852 -5.254 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.351 -5.002 -4.602 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.717 -5.251 -5.185 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.613 -2.286 -3.205 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.023 -1.224 -4.573 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.118 -2.550 -4.116 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.876 -5.744 -2.786 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.808 -4.348 -3.062 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.467 -4.096 -2.470 1.00 1.16 H new ATOM 582 N PRO A 37 -9.713 -0.941 -7.306 1.00 0.75 N ATOM 583 CA PRO A 37 -9.359 0.293 -7.945 1.00 0.79 C ATOM 584 C PRO A 37 -8.463 1.225 -7.206 1.00 0.75 C ATOM 585 O PRO A 37 -8.597 1.323 -5.986 1.00 0.75 O ATOM 586 CB PRO A 37 -10.671 1.043 -8.167 1.00 0.95 C ATOM 587 CG PRO A 37 -11.720 -0.075 -8.288 1.00 1.02 C ATOM 588 CD PRO A 37 -11.149 -1.166 -7.369 1.00 0.85 C ATOM 0 HA PRO A 37 -8.797 0.007 -8.834 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.894 1.712 -7.336 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.634 1.655 -9.068 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.706 0.256 -7.961 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.825 -0.424 -9.315 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.595 -1.109 -6.376 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.370 -2.159 -7.761 1.00 0.85 H new ATOM 596 N PRO A 38 -7.526 1.888 -7.815 1.00 0.81 N ATOM 597 CA PRO A 38 -6.583 2.691 -7.092 1.00 0.85 C ATOM 598 C PRO A 38 -6.979 4.010 -6.527 1.00 0.89 C ATOM 599 O PRO A 38 -6.280 4.465 -5.622 1.00 0.99 O ATOM 600 CB PRO A 38 -5.388 2.875 -8.026 1.00 1.01 C ATOM 601 CG PRO A 38 -5.914 2.684 -9.457 1.00 1.25 C ATOM 602 CD PRO A 38 -7.117 1.761 -9.205 1.00 0.98 C ATOM 0 HA PRO A 38 -6.406 2.133 -6.173 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.950 3.865 -7.904 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.606 2.150 -7.801 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.207 3.627 -9.918 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.172 2.226 -10.112 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.941 2.028 -9.866 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.852 0.727 -9.427 1.00 0.98 H new ATOM 610 N ASP A 39 -8.157 4.566 -6.863 1.00 0.96 N ATOM 611 CA ASP A 39 -8.751 5.698 -6.221 1.00 1.11 C ATOM 612 C ASP A 39 -9.586 5.216 -5.086 1.00 1.00 C ATOM 613 O ASP A 39 -10.452 5.926 -4.576 1.00 1.14 O ATOM 614 CB ASP A 39 -9.609 6.522 -7.196 1.00 1.39 C ATOM 615 CG ASP A 39 -8.789 7.034 -8.371 1.00 1.73 C ATOM 616 OD1 ASP A 39 -7.813 7.819 -8.226 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.010 6.604 -9.535 1.00 2.25 O ATOM 0 H ASP A 39 -8.727 4.204 -7.627 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.957 6.352 -5.859 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.431 5.909 -7.565 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.053 7.365 -6.667 1.00 1.39 H new ATOM 622 N GLN A 40 -9.414 3.978 -4.590 1.00 0.87 N ATOM 623 CA GLN A 40 -10.203 3.421 -3.536 1.00 0.84 C ATOM 624 C GLN A 40 -9.294 3.198 -2.377 1.00 0.67 C ATOM 625 O GLN A 40 -9.769 3.043 -1.252 1.00 0.80 O ATOM 626 CB GLN A 40 -10.865 2.124 -4.032 1.00 0.95 C ATOM 627 CG GLN A 40 -12.118 1.805 -3.213 1.00 1.32 C ATOM 628 CD GLN A 40 -12.703 0.477 -3.671 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.814 -0.442 -2.861 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.119 0.332 -4.958 1.00 2.02 N ATOM 0 H GLN A 40 -8.697 3.340 -4.937 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.009 4.086 -3.226 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.129 2.225 -5.085 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.157 1.298 -3.959 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.869 1.758 -2.153 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.855 2.599 -3.333 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.019 1.105 -5.616 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.531 -0.549 -5.265 1.00 2.02 H new ATOM 639 N GLN A 41 -8.009 2.895 -2.636 1.00 0.56 N ATOM 640 CA GLN A 41 -6.973 2.373 -1.801 1.00 0.51 C ATOM 641 C GLN A 41 -6.209 3.346 -0.970 1.00 0.49 C ATOM 642 O GLN A 41 -5.645 4.328 -1.449 1.00 0.65 O ATOM 643 CB GLN A 41 -5.952 1.717 -2.744 1.00 0.67 C ATOM 644 CG GLN A 41 -6.473 0.402 -3.327 1.00 0.69 C ATOM 645 CD GLN A 41 -5.419 -0.133 -4.288 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.226 -0.089 -3.993 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.833 -0.547 -5.514 1.00 0.61 N ATOM 0 H GLN A 41 -7.649 3.042 -3.579 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.475 1.717 -1.090 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.714 2.404 -3.556 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.025 1.531 -2.202 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.665 -0.318 -2.532 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.417 0.563 -3.847 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.829 -0.574 -5.734 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -5.148 -0.831 -6.215 1.00 0.61 H new ATOM 656 N ARG A 42 -6.230 3.133 0.358 1.00 0.47 N ATOM 657 CA ARG A 42 -5.586 3.942 1.347 1.00 0.55 C ATOM 658 C ARG A 42 -4.558 3.097 2.019 1.00 0.46 C ATOM 659 O ARG A 42 -4.905 2.058 2.578 1.00 0.52 O ATOM 660 CB ARG A 42 -6.601 4.338 2.431 1.00 0.73 C ATOM 661 CG ARG A 42 -7.589 5.414 1.977 1.00 1.04 C ATOM 662 CD ARG A 42 -8.307 6.026 3.182 1.00 1.28 C ATOM 663 NE ARG A 42 -9.377 6.868 2.577 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.532 7.237 3.204 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.845 6.908 4.492 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.380 8.143 2.637 1.00 2.78 N ATOM 0 H ARG A 42 -6.730 2.344 0.767 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.160 4.828 0.876 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.157 3.452 2.738 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.063 4.697 3.308 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.060 6.193 1.427 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.319 4.981 1.293 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.724 5.256 3.831 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.627 6.622 3.791 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.236 7.194 1.621 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.196 6.352 5.048 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.728 7.218 4.897 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.155 8.555 1.732 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.239 8.408 3.119 1.00 2.78 H new ATOM 680 N LEU A 43 -3.267 3.476 2.017 1.00 0.46 N ATOM 681 CA LEU A 43 -2.200 2.726 2.602 1.00 0.42 C ATOM 682 C LEU A 43 -1.954 3.244 3.977 1.00 0.43 C ATOM 683 O LEU A 43 -1.703 4.445 4.066 1.00 0.55 O ATOM 684 CB LEU A 43 -0.950 2.693 1.705 1.00 0.55 C ATOM 685 CG LEU A 43 -0.985 1.606 0.618 1.00 0.65 C ATOM 686 CD1 LEU A 43 -1.015 0.155 1.127 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.999 1.790 -0.523 1.00 1.12 C ATOM 0 H LEU A 43 -2.953 4.346 1.587 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.485 1.677 2.687 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.833 3.666 1.227 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.071 2.538 2.331 1.00 0.55 H new ATOM 0 HG LEU A 43 -0.004 1.781 0.176 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.038 -0.528 0.278 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.124 -0.039 1.725 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -1.903 0.003 1.740 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.919 0.955 -1.219 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -3.008 1.824 -0.111 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -1.790 2.722 -1.049 1.00 1.12 H new ATOM 699 N ILE A 44 -2.124 2.451 5.050 1.00 0.42 N ATOM 700 CA ILE A 44 -1.886 2.733 6.432 1.00 0.46 C ATOM 701 C ILE A 44 -0.603 2.134 6.893 1.00 0.42 C ATOM 702 O ILE A 44 -0.371 0.941 6.705 1.00 0.53 O ATOM 703 CB ILE A 44 -2.937 2.198 7.358 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.405 2.493 7.010 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.826 2.555 8.850 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.707 3.991 6.979 1.00 1.27 C ATOM 0 H ILE A 44 -2.470 1.499 4.930 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.879 3.822 6.476 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.693 1.149 7.189 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.640 2.058 6.039 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.053 2.010 7.741 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.653 2.100 9.396 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.881 2.181 9.244 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.865 3.638 8.969 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.757 4.145 6.729 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.500 4.424 7.958 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.080 4.473 6.229 1.00 1.27 H new ATOM 718 N PHE A 45 0.285 2.968 7.464 1.00 0.42 N ATOM 719 CA PHE A 45 1.484 2.429 8.028 1.00 0.46 C ATOM 720 C PHE A 45 1.885 3.336 9.140 1.00 0.68 C ATOM 721 O PHE A 45 2.211 4.520 9.069 1.00 1.50 O ATOM 722 CB PHE A 45 2.627 2.285 7.010 1.00 0.56 C ATOM 723 CG PHE A 45 3.851 1.645 7.568 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.836 0.525 8.366 1.00 1.19 C ATOM 725 CD2 PHE A 45 5.071 2.229 7.320 1.00 1.08 C ATOM 726 CE1 PHE A 45 4.999 -0.092 8.762 1.00 1.33 C ATOM 727 CE2 PHE A 45 6.265 1.681 7.724 1.00 1.20 C ATOM 728 CZ PHE A 45 6.176 0.590 8.555 1.00 1.02 C ATOM 0 H PHE A 45 0.181 3.980 7.535 1.00 0.42 H new ATOM 0 HA PHE A 45 1.286 1.417 8.380 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.275 1.697 6.163 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.887 3.272 6.627 1.00 0.56 H new ATOM 0 HD1 PHE A 45 2.888 0.121 8.689 1.00 1.19 H new ATOM 0 HD2 PHE A 45 5.092 3.165 6.781 1.00 1.08 H new ATOM 0 HE1 PHE A 45 4.989 -1.072 9.217 1.00 1.33 H new ATOM 0 HE2 PHE A 45 7.216 2.084 7.407 1.00 1.20 H new ATOM 0 HZ PHE A 45 7.066 0.254 9.066 1.00 1.02 H new ATOM 738 N ALA A 46 1.815 2.664 10.303 1.00 0.81 N ATOM 739 CA ALA A 46 2.158 3.240 11.566 1.00 0.96 C ATOM 740 C ALA A 46 1.204 4.285 12.033 1.00 0.97 C ATOM 741 O ALA A 46 1.572 5.377 12.465 1.00 1.21 O ATOM 742 CB ALA A 46 3.632 3.679 11.587 1.00 1.20 C ATOM 0 H ALA A 46 1.511 1.692 10.367 1.00 0.81 H new ATOM 0 HA ALA A 46 2.053 2.454 12.314 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.868 4.114 12.558 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.272 2.814 11.411 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.802 4.421 10.806 1.00 1.20 H new ATOM 748 N GLY A 47 -0.112 4.019 11.953 1.00 0.99 N ATOM 749 CA GLY A 47 -1.190 4.932 12.177 1.00 1.10 C ATOM 750 C GLY A 47 -1.419 6.016 11.181 1.00 1.03 C ATOM 751 O GLY A 47 -2.496 6.607 11.249 1.00 1.30 O ATOM 0 H GLY A 47 -0.448 3.087 11.711 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -2.108 4.350 12.251 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -1.031 5.401 13.148 1.00 1.10 H new ATOM 755 N LYS A 48 -0.542 6.424 10.247 1.00 0.98 N ATOM 756 CA LYS A 48 -0.785 7.540 9.387 1.00 1.05 C ATOM 757 C LYS A 48 -1.196 6.902 8.104 1.00 0.84 C ATOM 758 O LYS A 48 -0.872 5.749 7.827 1.00 0.81 O ATOM 759 CB LYS A 48 0.405 8.515 9.395 1.00 1.42 C ATOM 760 CG LYS A 48 1.716 7.987 8.810 1.00 1.61 C ATOM 761 CD LYS A 48 2.873 8.984 8.711 1.00 1.87 C ATOM 762 CE LYS A 48 3.567 9.330 10.029 1.00 2.22 C ATOM 763 NZ LYS A 48 4.604 8.327 10.363 1.00 2.55 N ATOM 0 H LYS A 48 0.356 5.968 10.086 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.579 8.223 9.689 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.119 9.409 8.841 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.589 8.823 10.424 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.044 7.143 9.417 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.512 7.601 7.811 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.618 8.581 8.025 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.497 9.906 8.267 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.022 10.318 9.956 1.00 2.22 H new ATOM 0 HE3 LYS A 48 2.830 9.377 10.831 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.060 8.585 11.262 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.163 7.389 10.455 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.318 8.301 9.607 1.00 2.55 H new ATOM 777 N GLN A 49 -1.929 7.677 7.283 1.00 0.84 N ATOM 778 CA GLN A 49 -2.239 7.212 5.967 1.00 0.80 C ATOM 779 C GLN A 49 -1.207 7.794 5.064 1.00 0.72 C ATOM 780 O GLN A 49 -0.667 8.886 5.235 1.00 0.83 O ATOM 781 CB GLN A 49 -3.686 7.589 5.607 1.00 1.03 C ATOM 782 CG GLN A 49 -4.007 9.085 5.606 1.00 1.67 C ATOM 783 CD GLN A 49 -5.239 9.407 4.774 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.145 8.575 4.751 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.468 10.607 4.176 1.00 2.48 N ATOM 0 H GLN A 49 -2.297 8.598 7.520 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.204 6.126 5.876 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.910 7.189 4.618 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.356 7.094 6.310 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.164 9.422 6.631 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.152 9.638 5.216 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.741 11.323 4.174 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.366 10.791 3.729 1.00 2.48 H new ATOM 794 N LEU A 50 -0.765 7.005 4.069 1.00 0.69 N ATOM 795 CA LEU A 50 0.370 7.389 3.287 1.00 0.66 C ATOM 796 C LEU A 50 0.098 8.201 2.068 1.00 0.72 C ATOM 797 O LEU A 50 -0.828 7.943 1.301 1.00 0.90 O ATOM 798 CB LEU A 50 1.209 6.195 2.797 1.00 0.65 C ATOM 799 CG LEU A 50 1.794 5.243 3.853 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.607 4.126 3.177 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.516 5.957 5.008 1.00 0.74 C ATOM 0 H LEU A 50 -1.186 6.113 3.808 1.00 0.69 H new ATOM 0 HA LEU A 50 0.901 8.004 4.014 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.588 5.605 2.123 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.037 6.588 2.207 1.00 0.65 H new ATOM 0 HG LEU A 50 0.959 4.760 4.361 1.00 0.64 H new ATOM 0 HD11 LEU A 50 3.014 3.461 3.938 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.960 3.559 2.508 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.424 4.566 2.605 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.900 5.217 5.710 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.344 6.545 4.612 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.817 6.616 5.522 1.00 0.74 H new ATOM 813 N GLU A 51 0.923 9.242 1.857 1.00 0.70 N ATOM 814 CA GLU A 51 0.931 10.114 0.724 1.00 0.76 C ATOM 815 C GLU A 51 1.279 9.606 -0.633 1.00 0.77 C ATOM 816 O GLU A 51 2.284 8.910 -0.757 1.00 1.23 O ATOM 817 CB GLU A 51 1.923 11.262 0.981 1.00 0.88 C ATOM 818 CG GLU A 51 1.960 12.339 -0.105 1.00 1.35 C ATOM 819 CD GLU A 51 0.776 13.280 -0.273 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.647 14.223 0.552 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.013 13.053 -1.251 1.00 1.89 O ATOM 0 H GLU A 51 1.642 9.493 2.535 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.129 10.363 0.665 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.672 11.734 1.931 1.00 0.88 H new ATOM 0 HB3 GLU A 51 2.923 10.841 1.089 1.00 0.88 H new ATOM 0 HG2 GLU A 51 2.842 12.954 0.076 1.00 1.35 H new ATOM 0 HG3 GLU A 51 2.113 11.835 -1.059 1.00 1.35 H new ATOM 828 N ASP A 52 0.505 9.931 -1.684 1.00 0.66 N ATOM 829 CA ASP A 52 0.564 9.400 -3.010 1.00 0.65 C ATOM 830 C ASP A 52 1.867 9.611 -3.701 1.00 0.60 C ATOM 831 O ASP A 52 2.510 8.751 -4.301 1.00 0.62 O ATOM 832 CB ASP A 52 -0.531 10.088 -3.841 1.00 0.81 C ATOM 833 CG ASP A 52 -1.897 9.743 -3.265 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.318 8.558 -3.191 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.606 10.686 -2.821 1.00 1.44 O ATOM 0 H ASP A 52 -0.231 10.632 -1.594 1.00 0.66 H new ATOM 0 HA ASP A 52 0.428 8.322 -2.924 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.384 11.168 -3.834 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.471 9.765 -4.880 1.00 0.81 H new ATOM 840 N GLY A 53 2.263 10.895 -3.620 1.00 0.68 N ATOM 841 CA GLY A 53 3.495 11.333 -4.199 1.00 0.73 C ATOM 842 C GLY A 53 4.646 11.507 -3.269 1.00 0.72 C ATOM 843 O GLY A 53 5.275 12.563 -3.313 1.00 0.97 O ATOM 0 H GLY A 53 1.730 11.629 -3.154 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.784 10.616 -4.968 1.00 0.73 H new ATOM 0 HA3 GLY A 53 3.316 12.284 -4.701 1.00 0.73 H new ATOM 847 N ARG A 54 4.795 10.484 -2.409 1.00 0.64 N ATOM 848 CA ARG A 54 5.884 10.206 -1.524 1.00 0.63 C ATOM 849 C ARG A 54 6.366 8.801 -1.627 1.00 0.59 C ATOM 850 O ARG A 54 5.636 7.813 -1.550 1.00 0.62 O ATOM 851 CB ARG A 54 5.609 10.609 -0.065 1.00 0.69 C ATOM 852 CG ARG A 54 6.909 10.680 0.738 1.00 0.82 C ATOM 853 CD ARG A 54 6.517 11.319 2.072 1.00 1.18 C ATOM 854 NE ARG A 54 7.776 11.543 2.837 1.00 1.50 N ATOM 855 CZ ARG A 54 7.847 12.216 4.022 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.722 12.713 4.612 1.00 2.49 N ATOM 857 NH2 ARG A 54 9.013 12.275 4.730 1.00 2.48 N ATOM 0 H ARG A 54 4.068 9.773 -2.327 1.00 0.64 H new ATOM 0 HA ARG A 54 6.696 10.848 -1.867 1.00 0.63 H new ATOM 0 HB2 ARG A 54 5.108 11.577 -0.039 1.00 0.69 H new ATOM 0 HB3 ARG A 54 4.933 9.888 0.394 1.00 0.69 H new ATOM 0 HG2 ARG A 54 7.336 9.688 0.886 1.00 0.82 H new ATOM 0 HG3 ARG A 54 7.660 11.276 0.220 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.993 12.261 1.909 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.840 10.669 2.626 1.00 1.18 H new ATOM 0 HE ARG A 54 8.642 11.169 2.449 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.813 12.584 4.167 1.00 2.49 H new ATOM 0 HH12 ARG A 54 6.790 13.214 5.498 1.00 2.49 H new ATOM 0 HH21 ARG A 54 9.849 11.811 4.375 1.00 2.48 H new ATOM 0 HH22 ARG A 54 9.048 12.783 5.614 1.00 2.48 H new ATOM 871 N THR A 55 7.678 8.596 -1.836 1.00 0.63 N ATOM 872 CA THR A 55 8.422 7.375 -1.855 1.00 0.61 C ATOM 873 C THR A 55 8.531 6.523 -0.638 1.00 0.59 C ATOM 874 O THR A 55 8.199 6.930 0.474 1.00 0.64 O ATOM 875 CB THR A 55 9.759 7.408 -2.536 1.00 0.68 C ATOM 876 OG1 THR A 55 10.825 7.876 -1.725 1.00 0.75 O ATOM 877 CG2 THR A 55 9.730 8.239 -3.829 1.00 0.76 C ATOM 0 H THR A 55 8.292 9.391 -2.014 1.00 0.63 H new ATOM 0 HA THR A 55 7.685 6.870 -2.480 1.00 0.61 H new ATOM 0 HB THR A 55 9.955 6.360 -2.764 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.467 7.151 -1.578 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.719 8.234 -4.287 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.007 7.808 -4.522 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.443 9.264 -3.596 1.00 0.76 H new ATOM 885 N LEU A 56 9.009 5.273 -0.774 1.00 0.58 N ATOM 886 CA LEU A 56 9.238 4.367 0.309 1.00 0.59 C ATOM 887 C LEU A 56 10.448 4.759 1.084 1.00 0.64 C ATOM 888 O LEU A 56 10.392 4.859 2.309 1.00 0.70 O ATOM 889 CB LEU A 56 9.204 2.904 -0.167 1.00 0.60 C ATOM 890 CG LEU A 56 7.815 2.401 -0.596 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.882 1.128 -1.456 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.917 2.135 0.623 1.00 1.03 C ATOM 0 H LEU A 56 9.247 4.875 -1.683 1.00 0.58 H new ATOM 0 HA LEU A 56 8.416 4.438 1.021 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.891 2.793 -1.006 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.575 2.266 0.635 1.00 0.60 H new ATOM 0 HG LEU A 56 7.386 3.199 -1.203 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.873 0.820 -1.729 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.457 1.329 -2.360 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.364 0.331 -0.890 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.943 1.781 0.287 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.379 1.378 1.257 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.792 3.057 1.191 1.00 1.03 H new ATOM 904 N SER A 57 11.523 5.129 0.366 1.00 0.68 N ATOM 905 CA SER A 57 12.738 5.612 0.946 1.00 0.75 C ATOM 906 C SER A 57 12.574 6.856 1.751 1.00 0.76 C ATOM 907 O SER A 57 13.220 7.070 2.775 1.00 0.84 O ATOM 908 CB SER A 57 13.753 5.852 -0.185 1.00 0.84 C ATOM 909 OG SER A 57 15.097 5.963 0.262 1.00 1.19 O ATOM 0 H SER A 57 11.548 5.091 -0.653 1.00 0.68 H new ATOM 0 HA SER A 57 13.087 4.852 1.645 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.685 5.033 -0.901 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.481 6.764 -0.717 1.00 0.84 H new ATOM 0 HG SER A 57 15.686 6.113 -0.507 1.00 1.19 H new ATOM 915 N ASP A 58 11.772 7.793 1.219 1.00 0.75 N ATOM 916 CA ASP A 58 11.417 8.976 1.942 1.00 0.78 C ATOM 917 C ASP A 58 10.772 8.893 3.283 1.00 0.77 C ATOM 918 O ASP A 58 10.996 9.613 4.254 1.00 0.86 O ATOM 919 CB ASP A 58 10.536 9.826 1.011 1.00 0.83 C ATOM 920 CG ASP A 58 10.764 11.316 1.223 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.237 11.992 2.147 1.00 1.90 O ATOM 922 OD2 ASP A 58 11.417 11.937 0.343 1.00 1.86 O ATOM 0 H ASP A 58 11.367 7.733 0.285 1.00 0.75 H new ATOM 0 HA ASP A 58 12.385 9.397 2.211 1.00 0.78 H new ATOM 0 HB2 ASP A 58 10.750 9.569 -0.027 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.487 9.590 1.188 1.00 0.83 H new ATOM 927 N TYR A 59 9.879 7.894 3.397 1.00 0.72 N ATOM 928 CA TYR A 59 9.173 7.503 4.578 1.00 0.73 C ATOM 929 C TYR A 59 10.020 6.645 5.451 1.00 0.76 C ATOM 930 O TYR A 59 9.615 6.488 6.603 1.00 0.89 O ATOM 931 CB TYR A 59 7.777 6.946 4.250 1.00 0.73 C ATOM 932 CG TYR A 59 6.596 7.828 4.036 1.00 0.67 C ATOM 933 CD1 TYR A 59 6.179 8.604 5.091 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.814 7.780 2.906 1.00 0.67 C ATOM 935 CE1 TYR A 59 5.026 9.346 4.989 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.638 8.492 2.861 1.00 0.70 C ATOM 937 CZ TYR A 59 4.188 9.270 3.901 1.00 0.74 C ATOM 938 OH TYR A 59 2.925 9.894 3.820 1.00 0.86 O ATOM 0 H TYR A 59 9.631 7.313 2.596 1.00 0.72 H new ATOM 0 HA TYR A 59 8.967 8.388 5.180 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.885 6.344 3.348 1.00 0.73 H new ATOM 0 HB3 TYR A 59 7.515 6.264 5.059 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.758 8.631 6.002 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.122 7.186 2.058 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.768 10.016 5.796 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.039 8.437 1.964 1.00 0.70 H new ATOM 0 HH TYR A 59 3.028 10.793 3.445 1.00 0.86 H new ATOM 948 N ASN A 60 11.133 6.080 4.950 1.00 0.74 N ATOM 949 CA ASN A 60 12.110 5.194 5.502 1.00 0.79 C ATOM 950 C ASN A 60 11.670 3.773 5.573 1.00 0.75 C ATOM 951 O ASN A 60 11.990 2.990 6.467 1.00 0.86 O ATOM 952 CB ASN A 60 12.561 5.641 6.904 1.00 0.95 C ATOM 953 CG ASN A 60 13.499 6.839 6.963 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.174 7.858 7.570 1.00 1.84 O ATOM 955 ND2 ASN A 60 14.745 6.687 6.442 1.00 1.83 N ATOM 0 H ASN A 60 11.383 6.289 3.983 1.00 0.74 H new ATOM 0 HA ASN A 60 12.946 5.248 4.804 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.672 5.874 7.491 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.052 4.798 7.390 1.00 0.95 H new ATOM 0 HD21 ASN A 60 15.437 7.429 6.550 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.988 5.831 5.943 1.00 1.83 H new ATOM 962 N ILE A 61 10.874 3.324 4.586 1.00 0.67 N ATOM 963 CA ILE A 61 10.349 2.016 4.344 1.00 0.65 C ATOM 964 C ILE A 61 11.211 1.140 3.502 1.00 0.66 C ATOM 965 O ILE A 61 11.558 1.471 2.369 1.00 0.75 O ATOM 966 CB ILE A 61 8.962 2.108 3.780 1.00 0.63 C ATOM 967 CG1 ILE A 61 8.089 3.223 4.379 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.289 0.727 3.840 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.577 3.085 4.203 1.00 0.82 C ATOM 0 H ILE A 61 10.559 3.970 3.862 1.00 0.67 H new ATOM 0 HA ILE A 61 10.322 1.527 5.318 1.00 0.65 H new ATOM 0 HB ILE A 61 9.067 2.411 2.738 1.00 0.63 H new ATOM 0 HG12 ILE A 61 8.302 3.285 5.446 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.397 4.170 3.937 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.281 0.795 3.430 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.871 0.013 3.257 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.237 0.392 4.876 1.00 0.72 H new ATOM 0 HD11 ILE A 61 6.077 3.934 4.670 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.335 3.061 3.140 1.00 0.82 H new ATOM 0 HD13 ILE A 61 6.239 2.162 4.673 1.00 0.82 H new ATOM 981 N GLN A 62 11.674 0.020 4.085 1.00 0.67 N ATOM 982 CA GLN A 62 12.595 -0.902 3.497 1.00 0.70 C ATOM 983 C GLN A 62 11.870 -2.169 3.196 1.00 0.62 C ATOM 984 O GLN A 62 10.658 -2.321 3.345 1.00 0.64 O ATOM 985 CB GLN A 62 13.728 -1.253 4.477 1.00 0.85 C ATOM 986 CG GLN A 62 14.440 0.057 4.819 1.00 1.27 C ATOM 987 CD GLN A 62 15.746 0.059 5.602 1.00 1.57 C ATOM 988 OE1 GLN A 62 16.795 0.544 5.179 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.648 -0.557 6.811 1.00 2.16 N ATOM 0 H GLN A 62 11.388 -0.258 5.024 1.00 0.67 H new ATOM 0 HA GLN A 62 13.012 -0.443 2.601 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.329 -1.722 5.376 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.421 -1.964 4.027 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.632 0.571 3.877 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.732 0.669 5.378 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.754 -0.943 7.116 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.468 -0.633 7.413 1.00 2.16 H new ATOM 998 N LYS A 63 12.562 -3.194 2.667 1.00 0.64 N ATOM 999 CA LYS A 63 12.054 -4.487 2.327 1.00 0.62 C ATOM 1000 C LYS A 63 11.446 -5.270 3.440 1.00 0.59 C ATOM 1001 O LYS A 63 11.756 -4.977 4.594 1.00 0.66 O ATOM 1002 CB LYS A 63 13.163 -5.398 1.772 1.00 0.74 C ATOM 1003 CG LYS A 63 14.110 -5.867 2.877 1.00 0.89 C ATOM 1004 CD LYS A 63 15.253 -6.770 2.411 1.00 1.11 C ATOM 1005 CE LYS A 63 16.269 -7.147 3.491 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.711 -7.953 4.599 1.00 2.12 N ATOM 0 H LYS A 63 13.557 -3.110 2.461 1.00 0.64 H new ATOM 0 HA LYS A 63 11.278 -4.239 1.603 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.714 -6.264 1.285 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.729 -4.861 1.010 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.536 -4.991 3.365 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.529 -6.401 3.629 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.827 -7.685 2.001 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.780 -6.271 1.598 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.084 -7.703 3.028 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.699 -6.234 3.903 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.483 -8.445 5.093 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.215 -7.329 5.267 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.043 -8.652 4.217 1.00 2.12 H new ATOM 1020 N GLU A 64 10.505 -6.194 3.176 1.00 0.57 N ATOM 1021 CA GLU A 64 9.920 -7.075 4.140 1.00 0.58 C ATOM 1022 C GLU A 64 9.134 -6.310 5.148 1.00 0.56 C ATOM 1023 O GLU A 64 9.042 -6.714 6.306 1.00 0.70 O ATOM 1024 CB GLU A 64 10.905 -8.135 4.662 1.00 0.72 C ATOM 1025 CG GLU A 64 11.676 -8.926 3.603 1.00 0.96 C ATOM 1026 CD GLU A 64 12.570 -9.970 4.256 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.929 -10.795 4.960 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.817 -10.083 4.106 1.00 1.71 O ATOM 0 H GLU A 64 10.132 -6.334 2.237 1.00 0.57 H new ATOM 0 HA GLU A 64 9.175 -7.703 3.651 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.627 -7.640 5.312 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.351 -8.841 5.280 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.976 -9.413 2.924 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.281 -8.246 3.003 1.00 0.96 H new ATOM 1035 N SER A 65 8.532 -5.172 4.760 1.00 0.51 N ATOM 1036 CA SER A 65 7.809 -4.238 5.565 1.00 0.51 C ATOM 1037 C SER A 65 6.384 -4.633 5.386 1.00 0.43 C ATOM 1038 O SER A 65 5.956 -5.225 4.397 1.00 0.50 O ATOM 1039 CB SER A 65 8.221 -2.782 5.283 1.00 0.65 C ATOM 1040 OG SER A 65 7.601 -1.856 6.162 1.00 1.04 O ATOM 0 H SER A 65 8.556 -4.879 3.783 1.00 0.51 H new ATOM 0 HA SER A 65 8.034 -4.272 6.631 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.304 -2.692 5.372 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.963 -2.529 4.255 1.00 0.65 H new ATOM 0 HG SER A 65 8.248 -1.166 6.420 1.00 1.04 H new ATOM 1046 N THR A 66 5.555 -4.352 6.407 1.00 0.45 N ATOM 1047 CA THR A 66 4.149 -4.609 6.449 1.00 0.45 C ATOM 1048 C THR A 66 3.310 -3.379 6.392 1.00 0.43 C ATOM 1049 O THR A 66 3.267 -2.633 7.369 1.00 0.58 O ATOM 1050 CB THR A 66 3.689 -5.272 7.714 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.309 -6.535 7.900 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.207 -5.684 7.702 1.00 0.78 C ATOM 0 H THR A 66 5.893 -3.914 7.264 1.00 0.45 H new ATOM 0 HA THR A 66 4.021 -5.245 5.573 1.00 0.45 H new ATOM 0 HB THR A 66 3.920 -4.521 8.469 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.988 -6.937 8.734 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.953 -6.156 8.651 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.585 -4.801 7.558 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.032 -6.388 6.888 1.00 0.78 H new ATOM 1060 N LEU A 67 2.596 -3.125 5.281 1.00 0.38 N ATOM 1061 CA LEU A 67 1.678 -2.059 5.027 1.00 0.38 C ATOM 1062 C LEU A 67 0.286 -2.589 5.051 1.00 0.37 C ATOM 1063 O LEU A 67 0.113 -3.732 4.632 1.00 0.50 O ATOM 1064 CB LEU A 67 1.903 -1.505 3.609 1.00 0.46 C ATOM 1065 CG LEU A 67 3.355 -1.118 3.286 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.326 -0.459 1.897 1.00 1.40 C ATOM 1067 CD2 LEU A 67 4.056 -0.243 4.339 1.00 1.31 C ATOM 0 H LEU A 67 2.674 -3.739 4.470 1.00 0.38 H new ATOM 0 HA LEU A 67 1.830 -1.289 5.783 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.573 -2.252 2.887 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.270 -0.628 3.473 1.00 0.46 H new ATOM 0 HG LEU A 67 3.969 -2.019 3.296 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.336 -0.162 1.614 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.938 -1.168 1.166 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.683 0.421 1.925 1.00 1.40 H new ATOM 0 HD21 LEU A 67 5.074 -0.028 4.014 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.508 0.692 4.459 1.00 1.31 H new ATOM 0 HD23 LEU A 67 4.083 -0.772 5.292 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.705 -1.815 5.529 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.054 -2.260 5.688 1.00 0.37 C ATOM 1081 C HIS A 68 -2.986 -1.633 4.709 1.00 0.35 C ATOM 1082 O HIS A 68 -2.838 -0.419 4.577 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.626 -1.878 7.063 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.905 -2.624 8.147 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -2.146 -3.943 8.469 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -0.843 -2.272 8.919 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.205 -4.341 9.366 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.375 -3.352 9.641 1.00 1.51 N ATOM 0 H HIS A 68 -0.562 -0.846 5.814 1.00 0.35 H new ATOM 0 HA HIS A 68 -1.995 -3.340 5.549 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.526 -0.804 7.221 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.691 -2.108 7.099 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.421 -1.279 8.962 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -1.145 -5.330 9.795 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.438 -3.380 10.256 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.818 -2.338 3.921 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.658 -1.778 2.909 1.00 0.38 C ATOM 1098 C LEU A 69 -6.033 -1.477 3.395 1.00 0.41 C ATOM 1099 O LEU A 69 -6.620 -2.355 4.025 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.638 -2.857 1.814 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.164 -2.481 0.418 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.443 -1.281 -0.218 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -4.903 -3.706 -0.474 1.00 1.14 C ATOM 0 H LEU A 69 -3.909 -3.351 3.994 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.307 -0.808 2.558 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.609 -3.199 1.702 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.220 -3.707 2.172 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.214 -2.202 0.510 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -4.871 -1.078 -1.200 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.564 -0.405 0.419 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -3.382 -1.508 -0.324 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.256 -3.502 -1.485 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -3.834 -3.917 -0.499 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.434 -4.569 -0.072 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.450 -0.200 3.309 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.779 0.190 3.665 1.00 0.56 C ATOM 1117 C VAL A 70 -8.498 0.576 2.418 1.00 0.55 C ATOM 1118 O VAL A 70 -7.890 1.026 1.448 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.683 1.231 4.740 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.069 1.822 5.044 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.158 0.517 5.997 1.00 0.97 C ATOM 0 H VAL A 70 -5.860 0.568 2.990 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.379 -0.610 4.098 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.027 2.044 4.427 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.980 2.576 5.826 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.474 2.281 4.142 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.737 1.029 5.379 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.070 1.234 6.813 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.852 -0.274 6.283 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.180 0.084 5.788 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.825 0.357 2.415 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.596 0.689 1.258 1.00 0.84 C ATOM 1133 C LEU A 71 -11.728 1.623 1.516 1.00 0.85 C ATOM 1134 O LEU A 71 -12.527 1.473 2.439 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.288 -0.553 0.673 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.259 -1.639 0.313 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.896 -2.930 -0.224 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.139 -1.178 -0.635 1.00 2.78 C ATOM 0 H LEU A 71 -10.353 -0.040 3.192 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.859 1.143 0.596 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.003 -0.949 1.394 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.854 -0.274 -0.216 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.793 -1.856 1.274 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.114 -3.652 -0.458 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.562 -3.348 0.531 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.465 -2.707 -1.127 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.463 -2.010 -0.831 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.575 -0.835 -1.573 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.584 -0.361 -0.173 1.00 2.78 H new