USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -57:sc= 1.16 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -109:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 153:sc= -0.778 (180deg=-1.13) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.23 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= -0.0877 X(o=-0.088,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 0.823 (180deg=0.783) USER MOD Single : A 14 THR OG1 : rot -77:sc= 0.0196 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.0517 USER MOD Single : A 25 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.33 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.146 (180deg=-0.661) USER MOD Single : A 31 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0348 F(o=-1,f=-0.035) USER MOD Single : A 41 GLN : amide:sc= 0.335 K(o=0.33,f=-0.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 59 TYR OH : rot 90:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.2) USER MOD Single : A 62 GLN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 150:sc= -0.0356 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 13.153 -4.394 -3.666 1.00 0.78 N ATOM 2 CA MET A 1 12.686 -4.508 -2.267 1.00 0.70 C ATOM 3 C MET A 1 11.380 -5.226 -2.297 1.00 0.62 C ATOM 4 O MET A 1 10.597 -5.105 -3.237 1.00 0.68 O ATOM 5 CB MET A 1 12.557 -3.031 -1.856 1.00 0.75 C ATOM 6 CG MET A 1 11.876 -2.704 -0.526 1.00 0.79 C ATOM 7 SD MET A 1 10.282 -1.835 -0.643 1.00 1.10 S ATOM 8 CE MET A 1 10.938 -0.396 0.250 1.00 0.84 C ATOM 0 H1 MET A 1 14.097 -3.957 -3.682 1.00 0.78 H new ATOM 0 H2 MET A 1 13.202 -5.341 -4.094 1.00 0.78 H new ATOM 0 H3 MET A 1 12.489 -3.804 -4.207 1.00 0.78 H new ATOM 0 HA MET A 1 13.324 -5.058 -1.575 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.560 -2.605 -1.829 1.00 0.75 H new ATOM 0 HB3 MET A 1 12.011 -2.513 -2.645 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.721 -3.635 0.019 1.00 0.79 H new ATOM 0 HG3 MET A 1 12.557 -2.095 0.069 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.390 0.498 -0.048 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.824 -0.551 1.323 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.994 -0.271 0.012 1.00 0.84 H new ATOM 20 N GLN A 2 11.074 -6.024 -1.258 1.00 0.59 N ATOM 21 CA GLN A 2 9.895 -6.820 -1.108 1.00 0.56 C ATOM 22 C GLN A 2 9.105 -6.319 0.052 1.00 0.50 C ATOM 23 O GLN A 2 9.603 -6.287 1.176 1.00 0.60 O ATOM 24 CB GLN A 2 10.220 -8.261 -0.684 1.00 0.71 C ATOM 25 CG GLN A 2 9.001 -9.132 -0.375 1.00 1.15 C ATOM 26 CD GLN A 2 9.493 -10.552 -0.134 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.228 -10.905 0.788 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.187 -11.381 -1.167 1.00 1.72 N ATOM 0 H GLN A 2 11.702 -6.119 -0.460 1.00 0.59 H new ATOM 0 HA GLN A 2 9.383 -6.774 -2.069 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.796 -8.737 -1.478 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.859 -8.229 0.199 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.475 -8.756 0.503 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.294 -9.108 -1.205 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.575 -11.058 -1.916 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.570 -12.326 -1.193 1.00 1.72 H new ATOM 37 N ILE A 3 7.854 -5.893 -0.203 1.00 0.44 N ATOM 38 CA ILE A 3 6.967 -5.382 0.794 1.00 0.42 C ATOM 39 C ILE A 3 5.705 -6.168 0.899 1.00 0.40 C ATOM 40 O ILE A 3 5.260 -6.816 -0.046 1.00 0.50 O ATOM 41 CB ILE A 3 6.536 -3.978 0.484 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.316 -3.801 -1.027 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.609 -3.059 1.092 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.366 -2.644 -1.336 1.00 0.72 C ATOM 0 H ILE A 3 7.446 -5.905 -1.138 1.00 0.44 H new ATOM 0 HA ILE A 3 7.538 -5.438 1.721 1.00 0.42 H new ATOM 0 HB ILE A 3 5.571 -3.723 0.921 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.275 -3.623 -1.514 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.912 -4.723 -1.445 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.349 -2.018 0.898 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.663 -3.225 2.168 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.576 -3.282 0.642 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.239 -2.555 -2.415 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.398 -2.834 -0.872 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.782 -1.717 -0.942 1.00 0.72 H new ATOM 56 N PHE A 4 4.989 -6.102 2.036 1.00 0.37 N ATOM 57 CA PHE A 4 3.733 -6.779 2.129 1.00 0.38 C ATOM 58 C PHE A 4 2.695 -5.718 2.266 1.00 0.39 C ATOM 59 O PHE A 4 2.940 -4.669 2.859 1.00 0.60 O ATOM 60 CB PHE A 4 3.732 -7.724 3.342 1.00 0.45 C ATOM 61 CG PHE A 4 4.938 -8.598 3.362 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.119 -9.528 2.366 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.896 -8.415 4.332 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.202 -10.374 2.419 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.051 -9.158 4.254 1.00 1.40 C ATOM 66 CZ PHE A 4 7.195 -10.186 3.353 1.00 0.85 C ATOM 0 H PHE A 4 5.271 -5.592 2.873 1.00 0.37 H new ATOM 0 HA PHE A 4 3.538 -7.394 1.250 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.693 -7.137 4.260 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.835 -8.343 3.320 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.416 -9.594 1.548 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.745 -7.707 5.133 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.274 -11.194 1.720 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.869 -8.927 4.920 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.063 -10.828 3.377 1.00 0.85 H new ATOM 76 N VAL A 5 1.504 -6.020 1.719 1.00 0.35 N ATOM 77 CA VAL A 5 0.269 -5.303 1.782 1.00 0.35 C ATOM 78 C VAL A 5 -0.725 -6.269 2.327 1.00 0.35 C ATOM 79 O VAL A 5 -0.941 -7.314 1.715 1.00 0.46 O ATOM 80 CB VAL A 5 -0.014 -4.665 0.454 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.388 -3.975 0.418 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.004 -3.565 0.107 1.00 0.56 C ATOM 0 H VAL A 5 1.399 -6.871 1.166 1.00 0.35 H new ATOM 0 HA VAL A 5 0.260 -4.442 2.451 1.00 0.35 H new ATOM 0 HB VAL A 5 0.034 -5.490 -0.257 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.545 -3.529 -0.564 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.169 -4.710 0.612 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.424 -3.197 1.180 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.757 -3.134 -0.863 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.972 -2.786 0.869 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.005 -3.995 0.069 1.00 0.56 H new ATOM 92 N LYS A 6 -1.419 -6.027 3.454 1.00 0.36 N ATOM 93 CA LYS A 6 -2.438 -6.829 4.057 1.00 0.39 C ATOM 94 C LYS A 6 -3.795 -6.237 3.894 1.00 0.46 C ATOM 95 O LYS A 6 -3.949 -5.017 3.899 1.00 0.53 O ATOM 96 CB LYS A 6 -2.166 -6.844 5.571 1.00 0.54 C ATOM 97 CG LYS A 6 -1.104 -7.775 6.160 1.00 1.22 C ATOM 98 CD LYS A 6 -1.438 -9.235 5.847 1.00 1.37 C ATOM 99 CE LYS A 6 -0.655 -10.235 6.701 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.090 -11.637 6.520 1.00 2.09 N ATOM 0 H LYS A 6 -1.246 -5.181 3.997 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.415 -7.812 3.587 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.899 -5.828 5.860 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.109 -7.078 6.065 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.125 -7.524 5.751 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -1.045 -7.633 7.239 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.505 -9.396 5.999 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.233 -9.429 4.794 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.404 -10.158 6.456 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.760 -9.964 7.751 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.519 -12.259 7.127 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -2.093 -11.726 6.780 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.965 -11.914 5.525 1.00 2.09 H new ATOM 114 N THR A 7 -4.765 -7.112 3.579 1.00 0.58 N ATOM 115 CA THR A 7 -6.119 -6.690 3.392 1.00 0.78 C ATOM 116 C THR A 7 -6.980 -6.837 4.599 1.00 0.94 C ATOM 117 O THR A 7 -6.564 -7.249 5.681 1.00 0.99 O ATOM 118 CB THR A 7 -6.755 -7.331 2.194 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.952 -8.727 2.374 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.049 -7.173 0.837 1.00 0.92 C ATOM 0 H THR A 7 -4.613 -8.113 3.453 1.00 0.58 H new ATOM 0 HA THR A 7 -6.047 -5.618 3.206 1.00 0.78 H new ATOM 0 HB THR A 7 -7.685 -6.766 2.141 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.370 -9.105 1.572 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.623 -7.687 0.066 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.973 -6.115 0.587 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.050 -7.605 0.894 1.00 0.92 H new ATOM 128 N LEU A 8 -8.290 -6.538 4.546 1.00 1.17 N ATOM 129 CA LEU A 8 -9.264 -6.773 5.566 1.00 1.39 C ATOM 130 C LEU A 8 -9.362 -8.206 5.962 1.00 1.44 C ATOM 131 O LEU A 8 -9.511 -8.465 7.156 1.00 1.60 O ATOM 132 CB LEU A 8 -10.512 -6.366 4.764 1.00 1.66 C ATOM 133 CG LEU A 8 -11.841 -6.518 5.525 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.834 -5.606 6.764 1.00 2.53 C ATOM 135 CD2 LEU A 8 -13.054 -6.149 4.652 1.00 2.43 C ATOM 0 H LEU A 8 -8.699 -6.096 3.723 1.00 1.17 H new ATOM 0 HA LEU A 8 -9.074 -6.256 6.506 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.404 -5.327 4.452 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.557 -6.969 3.857 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.931 -7.565 5.813 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -12.776 -5.715 7.301 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.008 -5.887 7.418 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.713 -4.569 6.452 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -13.970 -6.271 5.231 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -12.966 -5.112 4.327 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -13.086 -6.802 3.780 1.00 2.43 H new ATOM 147 N THR A 9 -9.413 -9.188 5.045 1.00 1.41 N ATOM 148 CA THR A 9 -9.601 -10.556 5.418 1.00 1.51 C ATOM 149 C THR A 9 -8.333 -11.182 5.887 1.00 1.37 C ATOM 150 O THR A 9 -8.436 -12.078 6.724 1.00 1.62 O ATOM 151 CB THR A 9 -10.212 -11.481 4.407 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.456 -11.506 3.205 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.554 -10.804 4.080 1.00 2.08 C ATOM 0 H THR A 9 -9.324 -9.034 4.041 1.00 1.41 H new ATOM 0 HA THR A 9 -10.339 -10.453 6.213 1.00 1.51 H new ATOM 0 HB THR A 9 -10.278 -12.501 4.785 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.877 -12.118 2.566 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.092 -11.400 3.343 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.152 -10.724 4.988 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.370 -9.808 3.677 1.00 2.08 H new ATOM 161 N GLY A 10 -7.169 -10.833 5.311 1.00 1.18 N ATOM 162 CA GLY A 10 -5.935 -11.390 5.770 1.00 1.22 C ATOM 163 C GLY A 10 -5.007 -11.768 4.667 1.00 0.99 C ATOM 164 O GLY A 10 -4.020 -12.476 4.865 1.00 1.31 O ATOM 0 H GLY A 10 -7.082 -10.174 4.537 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.439 -10.669 6.420 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.146 -12.272 6.375 1.00 1.22 H new ATOM 168 N LYS A 11 -5.319 -11.435 3.402 1.00 0.73 N ATOM 169 CA LYS A 11 -4.538 -11.809 2.265 1.00 0.60 C ATOM 170 C LYS A 11 -3.312 -10.972 2.141 1.00 0.51 C ATOM 171 O LYS A 11 -3.424 -9.749 2.190 1.00 0.63 O ATOM 172 CB LYS A 11 -5.259 -11.543 0.933 1.00 0.75 C ATOM 173 CG LYS A 11 -5.995 -12.775 0.402 1.00 0.87 C ATOM 174 CD LYS A 11 -7.079 -12.472 -0.635 1.00 1.04 C ATOM 175 CE LYS A 11 -6.465 -12.077 -1.979 1.00 1.30 C ATOM 176 NZ LYS A 11 -7.317 -12.149 -3.188 1.00 1.40 N ATOM 0 H LYS A 11 -6.145 -10.886 3.163 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.334 -12.867 2.428 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.972 -10.729 1.067 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.532 -11.212 0.191 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.267 -13.454 -0.041 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -6.451 -13.300 1.242 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -7.715 -13.347 -0.766 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -7.717 -11.666 -0.273 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.100 -11.054 -1.890 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.595 -12.712 -2.147 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.752 -11.902 -4.026 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -7.689 -13.114 -3.294 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -8.109 -11.481 -3.095 1.00 1.40 H new ATOM 190 N THR A 12 -2.172 -11.664 1.960 1.00 0.49 N ATOM 191 CA THR A 12 -0.932 -10.962 1.846 1.00 0.48 C ATOM 192 C THR A 12 -0.498 -10.762 0.434 1.00 0.52 C ATOM 193 O THR A 12 -0.198 -11.661 -0.350 1.00 0.72 O ATOM 194 CB THR A 12 0.137 -11.756 2.535 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.185 -11.902 3.910 1.00 0.77 O ATOM 196 CG2 THR A 12 1.503 -11.050 2.468 1.00 0.78 C ATOM 0 H THR A 12 -2.108 -12.680 1.894 1.00 0.49 H new ATOM 0 HA THR A 12 -1.083 -9.981 2.297 1.00 0.48 H new ATOM 0 HB THR A 12 0.194 -12.720 2.029 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.426 -11.358 4.449 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.251 -11.656 2.978 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.793 -10.917 1.426 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.433 -10.076 2.953 1.00 0.78 H new ATOM 204 N ILE A 13 -0.481 -9.487 0.005 1.00 0.48 N ATOM 205 CA ILE A 13 -0.070 -9.052 -1.293 1.00 0.55 C ATOM 206 C ILE A 13 1.379 -8.701 -1.288 1.00 0.51 C ATOM 207 O ILE A 13 1.687 -7.613 -0.807 1.00 0.56 O ATOM 208 CB ILE A 13 -0.914 -7.963 -1.884 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.417 -8.172 -1.628 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.603 -7.997 -3.389 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.268 -6.970 -2.032 1.00 1.55 C ATOM 0 H ILE A 13 -0.772 -8.713 0.602 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.226 -9.900 -1.960 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.684 -7.000 -1.428 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.754 -9.050 -2.179 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.573 -8.381 -0.570 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.183 -7.227 -3.898 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.460 -7.813 -3.545 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.865 -8.975 -3.793 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.317 -7.181 -1.826 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.956 -6.095 -1.462 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.139 -6.775 -3.097 1.00 1.55 H new ATOM 223 N THR A 14 2.302 -9.605 -1.668 1.00 0.55 N ATOM 224 CA THR A 14 3.703 -9.344 -1.791 1.00 0.54 C ATOM 225 C THR A 14 3.997 -8.687 -3.095 1.00 0.55 C ATOM 226 O THR A 14 3.695 -9.219 -4.162 1.00 0.72 O ATOM 227 CB THR A 14 4.463 -10.637 -1.786 1.00 0.67 C ATOM 228 OG1 THR A 14 4.204 -11.365 -0.594 1.00 1.08 O ATOM 229 CG2 THR A 14 5.976 -10.365 -1.761 1.00 1.03 C ATOM 0 H THR A 14 2.057 -10.567 -1.901 1.00 0.55 H new ATOM 0 HA THR A 14 3.995 -8.705 -0.958 1.00 0.54 H new ATOM 0 HB THR A 14 4.155 -11.187 -2.675 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.718 -10.977 0.145 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.516 -11.312 -1.758 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.257 -9.790 -2.644 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.229 -9.800 -0.864 1.00 1.03 H new ATOM 237 N LEU A 15 4.542 -7.459 -3.059 1.00 0.50 N ATOM 238 CA LEU A 15 4.923 -6.692 -4.204 1.00 0.55 C ATOM 239 C LEU A 15 6.387 -6.468 -4.035 1.00 0.52 C ATOM 240 O LEU A 15 6.977 -6.522 -2.958 1.00 0.58 O ATOM 241 CB LEU A 15 4.190 -5.342 -4.281 1.00 0.69 C ATOM 242 CG LEU A 15 2.664 -5.508 -4.376 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.074 -4.111 -4.122 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.255 -6.105 -5.733 1.00 1.55 C ATOM 0 H LEU A 15 4.727 -6.974 -2.181 1.00 0.50 H new ATOM 0 HA LEU A 15 4.668 -7.216 -5.125 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.434 -4.748 -3.400 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.547 -4.787 -5.148 1.00 0.69 H new ATOM 0 HG LEU A 15 2.279 -6.214 -3.640 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.986 -4.160 -4.176 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.373 -3.764 -3.133 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.444 -3.417 -4.877 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.171 -6.211 -5.772 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.584 -5.444 -6.535 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.720 -7.083 -5.855 1.00 1.55 H new ATOM 256 N GLU A 16 6.999 -6.285 -5.219 1.00 0.59 N ATOM 257 CA GLU A 16 8.377 -5.932 -5.369 1.00 0.63 C ATOM 258 C GLU A 16 8.428 -4.533 -5.879 1.00 0.65 C ATOM 259 O GLU A 16 7.906 -4.222 -6.948 1.00 0.81 O ATOM 260 CB GLU A 16 9.169 -6.854 -6.311 1.00 0.76 C ATOM 261 CG GLU A 16 10.679 -6.633 -6.194 1.00 1.41 C ATOM 262 CD GLU A 16 11.505 -7.598 -7.031 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.302 -7.626 -8.274 1.00 1.95 O ATOM 264 OE2 GLU A 16 12.259 -8.422 -6.447 1.00 1.92 O ATOM 0 H GLU A 16 6.513 -6.387 -6.110 1.00 0.59 H new ATOM 0 HA GLU A 16 8.852 -6.038 -4.394 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.936 -7.894 -6.081 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.855 -6.677 -7.340 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.912 -5.612 -6.496 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.972 -6.730 -5.149 1.00 1.41 H new ATOM 271 N VAL A 17 9.050 -3.576 -5.167 1.00 0.61 N ATOM 272 CA VAL A 17 9.230 -2.235 -5.629 1.00 0.63 C ATOM 273 C VAL A 17 10.628 -1.857 -5.280 1.00 0.65 C ATOM 274 O VAL A 17 11.474 -2.643 -4.855 1.00 0.76 O ATOM 275 CB VAL A 17 8.196 -1.355 -4.992 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.966 -1.341 -5.914 1.00 0.96 C ATOM 277 CG2 VAL A 17 7.837 -1.788 -3.560 1.00 0.92 C ATOM 0 H VAL A 17 9.440 -3.741 -4.239 1.00 0.61 H new ATOM 0 HA VAL A 17 9.095 -2.128 -6.705 1.00 0.63 H new ATOM 0 HB VAL A 17 8.599 -0.348 -4.882 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.192 -0.708 -5.479 1.00 0.96 H new ATOM 0 HG12 VAL A 17 7.248 -0.949 -6.891 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.584 -2.356 -6.026 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.084 -1.112 -3.154 1.00 0.92 H new ATOM 0 HG22 VAL A 17 7.442 -2.804 -3.575 1.00 0.92 H new ATOM 0 HG23 VAL A 17 8.730 -1.755 -2.935 1.00 0.92 H new ATOM 287 N GLU A 18 11.046 -0.608 -5.546 1.00 0.68 N ATOM 288 CA GLU A 18 12.286 -0.085 -5.060 1.00 0.74 C ATOM 289 C GLU A 18 11.898 0.846 -3.963 1.00 0.71 C ATOM 290 O GLU A 18 10.795 1.385 -4.041 1.00 0.74 O ATOM 291 CB GLU A 18 13.138 0.600 -6.143 1.00 0.88 C ATOM 292 CG GLU A 18 13.087 -0.050 -7.527 1.00 1.16 C ATOM 293 CD GLU A 18 14.112 -1.153 -7.748 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.084 -1.334 -6.967 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.945 -1.921 -8.732 1.00 2.33 O ATOM 0 H GLU A 18 10.512 0.053 -6.110 1.00 0.68 H new ATOM 0 HA GLU A 18 12.938 -0.886 -4.711 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.813 1.636 -6.235 1.00 0.88 H new ATOM 0 HB3 GLU A 18 14.175 0.619 -5.807 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.090 -0.462 -7.684 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.235 0.722 -8.282 1.00 1.16 H new ATOM 302 N PRO A 19 12.721 1.286 -3.057 1.00 0.74 N ATOM 303 CA PRO A 19 12.270 2.197 -2.046 1.00 0.74 C ATOM 304 C PRO A 19 11.987 3.559 -2.580 1.00 0.70 C ATOM 305 O PRO A 19 11.644 4.391 -1.741 1.00 0.74 O ATOM 306 CB PRO A 19 13.425 2.204 -1.048 1.00 0.86 C ATOM 307 CG PRO A 19 14.607 1.551 -1.783 1.00 0.95 C ATOM 308 CD PRO A 19 13.903 0.525 -2.684 1.00 0.82 C ATOM 0 HA PRO A 19 11.321 1.892 -1.605 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.669 3.220 -0.737 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.168 1.648 -0.146 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.178 2.277 -2.362 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.304 1.076 -1.092 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.507 0.244 -3.547 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.656 -0.395 -2.154 1.00 0.82 H new ATOM 316 N SER A 20 12.397 3.989 -3.787 1.00 0.70 N ATOM 317 CA SER A 20 12.183 5.272 -4.382 1.00 0.74 C ATOM 318 C SER A 20 10.957 5.286 -5.227 1.00 0.71 C ATOM 319 O SER A 20 10.661 6.299 -5.860 1.00 0.80 O ATOM 320 CB SER A 20 13.258 5.614 -5.428 1.00 0.89 C ATOM 321 OG SER A 20 14.602 5.515 -4.980 1.00 1.45 O ATOM 0 H SER A 20 12.930 3.377 -4.404 1.00 0.70 H new ATOM 0 HA SER A 20 12.157 5.953 -3.531 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.130 4.952 -6.285 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.085 6.631 -5.781 1.00 0.89 H new ATOM 0 HG SER A 20 15.209 5.749 -5.713 1.00 1.45 H new ATOM 327 N ASP A 21 10.102 4.250 -5.307 1.00 0.70 N ATOM 328 CA ASP A 21 8.889 4.299 -6.063 1.00 0.73 C ATOM 329 C ASP A 21 7.840 4.967 -5.241 1.00 0.64 C ATOM 330 O ASP A 21 7.758 5.015 -4.015 1.00 0.66 O ATOM 331 CB ASP A 21 8.401 2.893 -6.448 1.00 0.87 C ATOM 332 CG ASP A 21 9.289 2.089 -7.385 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.729 2.739 -8.371 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.481 0.850 -7.262 1.00 1.69 O ATOM 0 H ASP A 21 10.257 3.359 -4.836 1.00 0.70 H new ATOM 0 HA ASP A 21 9.081 4.854 -6.982 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.266 2.318 -5.532 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.419 2.990 -6.911 1.00 0.87 H new ATOM 339 N THR A 22 6.862 5.642 -5.873 1.00 0.63 N ATOM 340 CA THR A 22 5.819 6.292 -5.142 1.00 0.58 C ATOM 341 C THR A 22 4.748 5.365 -4.679 1.00 0.53 C ATOM 342 O THR A 22 4.575 4.252 -5.175 1.00 0.58 O ATOM 343 CB THR A 22 5.126 7.444 -5.811 1.00 0.63 C ATOM 344 OG1 THR A 22 4.530 7.016 -7.028 1.00 0.70 O ATOM 345 CG2 THR A 22 6.232 8.439 -6.202 1.00 0.75 C ATOM 0 H THR A 22 6.794 5.737 -6.886 1.00 0.63 H new ATOM 0 HA THR A 22 6.400 6.691 -4.310 1.00 0.58 H new ATOM 0 HB THR A 22 4.368 7.864 -5.149 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.219 7.797 -7.532 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.786 9.303 -6.696 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.761 8.765 -5.307 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.933 7.955 -6.881 1.00 0.75 H new ATOM 353 N ILE A 23 3.877 5.933 -3.827 1.00 0.51 N ATOM 354 CA ILE A 23 2.768 5.196 -3.307 1.00 0.48 C ATOM 355 C ILE A 23 1.745 4.960 -4.364 1.00 0.48 C ATOM 356 O ILE A 23 1.273 3.829 -4.454 1.00 0.51 O ATOM 357 CB ILE A 23 2.126 5.932 -2.168 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.825 5.727 -0.813 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.662 5.525 -1.934 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.213 6.365 -0.753 1.00 0.73 C ATOM 0 H ILE A 23 3.939 6.897 -3.500 1.00 0.51 H new ATOM 0 HA ILE A 23 3.150 4.239 -2.952 1.00 0.48 H new ATOM 0 HB ILE A 23 2.208 6.971 -2.488 1.00 0.52 H new ATOM 0 HG12 ILE A 23 2.203 6.148 -0.023 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.913 4.659 -0.614 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.256 6.093 -1.097 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.079 5.733 -2.831 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.612 4.460 -1.708 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.654 6.186 0.228 1.00 0.73 H new ATOM 0 HD12 ILE A 23 4.849 5.926 -1.522 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.128 7.439 -0.922 1.00 0.73 H new ATOM 372 N GLU A 24 1.620 5.881 -5.337 1.00 0.50 N ATOM 373 CA GLU A 24 0.866 5.757 -6.545 1.00 0.53 C ATOM 374 C GLU A 24 1.224 4.558 -7.355 1.00 0.50 C ATOM 375 O GLU A 24 0.328 3.861 -7.830 1.00 0.55 O ATOM 376 CB GLU A 24 1.075 7.041 -7.364 1.00 0.64 C ATOM 377 CG GLU A 24 0.199 7.143 -8.614 1.00 0.95 C ATOM 378 CD GLU A 24 0.568 8.281 -9.555 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.006 9.392 -9.371 1.00 1.56 O ATOM 380 OE2 GLU A 24 1.361 8.065 -10.511 1.00 1.62 O ATOM 0 H GLU A 24 2.086 6.786 -5.271 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.182 5.621 -6.277 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.877 7.901 -6.725 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.122 7.101 -7.663 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.259 6.202 -9.161 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.839 7.266 -8.305 1.00 0.95 H new ATOM 387 N ASN A 25 2.513 4.204 -7.500 1.00 0.51 N ATOM 388 CA ASN A 25 2.913 2.972 -8.106 1.00 0.52 C ATOM 389 C ASN A 25 2.467 1.726 -7.422 1.00 0.47 C ATOM 390 O ASN A 25 1.880 0.862 -8.071 1.00 0.53 O ATOM 391 CB ASN A 25 4.423 3.120 -8.359 1.00 0.64 C ATOM 392 CG ASN A 25 4.976 1.952 -9.162 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.644 1.105 -8.572 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.637 2.043 -10.476 1.00 1.57 N ATOM 0 H ASN A 25 3.293 4.784 -7.191 1.00 0.51 H new ATOM 0 HA ASN A 25 2.386 2.813 -9.047 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.613 4.051 -8.893 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.947 3.187 -7.406 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.952 1.331 -11.134 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.068 2.824 -10.803 1.00 1.57 H new ATOM 401 N VAL A 26 2.618 1.689 -6.086 1.00 0.45 N ATOM 402 CA VAL A 26 2.202 0.673 -5.169 1.00 0.44 C ATOM 403 C VAL A 26 0.760 0.391 -5.421 1.00 0.40 C ATOM 404 O VAL A 26 0.444 -0.788 -5.575 1.00 0.44 O ATOM 405 CB VAL A 26 2.585 0.961 -3.748 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.160 -0.179 -2.808 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.119 1.076 -3.707 1.00 0.62 C ATOM 0 H VAL A 26 3.082 2.455 -5.599 1.00 0.45 H new ATOM 0 HA VAL A 26 2.749 -0.253 -5.347 1.00 0.44 H new ATOM 0 HB VAL A 26 2.090 1.875 -3.419 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.453 0.063 -1.787 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.078 -0.305 -2.855 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.647 -1.105 -3.115 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.441 1.286 -2.687 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.563 0.139 -4.042 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.441 1.885 -4.363 1.00 0.62 H new ATOM 417 N LYS A 27 -0.158 1.367 -5.519 1.00 0.40 N ATOM 418 CA LYS A 27 -1.537 1.185 -5.854 1.00 0.41 C ATOM 419 C LYS A 27 -1.852 0.732 -7.238 1.00 0.38 C ATOM 420 O LYS A 27 -2.835 0.046 -7.513 1.00 0.42 O ATOM 421 CB LYS A 27 -2.303 2.475 -5.512 1.00 0.51 C ATOM 422 CG LYS A 27 -2.138 2.837 -4.035 1.00 0.76 C ATOM 423 CD LYS A 27 -2.931 4.126 -3.809 1.00 0.82 C ATOM 424 CE LYS A 27 -3.107 4.642 -2.379 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.973 5.842 -2.390 1.00 1.11 N ATOM 0 H LYS A 27 0.077 2.346 -5.354 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.863 0.339 -5.249 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.939 3.293 -6.133 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.361 2.346 -5.742 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.510 2.036 -3.396 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.086 2.980 -3.786 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.451 4.915 -4.388 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.925 3.981 -4.232 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.550 3.867 -1.753 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.136 4.885 -1.947 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.878 6.347 -1.486 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.687 6.469 -3.169 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.963 5.554 -2.523 1.00 1.11 H new ATOM 439 N ALA A 28 -1.121 1.160 -8.281 1.00 0.39 N ATOM 440 CA ALA A 28 -1.207 0.608 -9.598 1.00 0.39 C ATOM 441 C ALA A 28 -0.829 -0.819 -9.794 1.00 0.36 C ATOM 442 O ALA A 28 -1.359 -1.577 -10.605 1.00 0.42 O ATOM 443 CB ALA A 28 -0.285 1.486 -10.460 1.00 0.51 C ATOM 0 H ALA A 28 -0.444 1.919 -8.205 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.264 0.610 -9.862 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.296 1.125 -11.489 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.636 2.518 -10.433 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.732 1.438 -10.070 1.00 0.51 H new ATOM 449 N LYS A 29 0.148 -1.212 -8.957 1.00 0.39 N ATOM 450 CA LYS A 29 0.448 -2.609 -8.898 1.00 0.43 C ATOM 451 C LYS A 29 -0.631 -3.457 -8.317 1.00 0.44 C ATOM 452 O LYS A 29 -0.823 -4.579 -8.784 1.00 0.54 O ATOM 453 CB LYS A 29 1.792 -2.714 -8.158 1.00 0.54 C ATOM 454 CG LYS A 29 2.944 -2.227 -9.040 1.00 0.65 C ATOM 455 CD LYS A 29 4.288 -2.473 -8.352 1.00 1.08 C ATOM 456 CE LYS A 29 5.546 -2.257 -9.196 1.00 1.24 C ATOM 457 NZ LYS A 29 5.338 -2.899 -10.513 1.00 1.44 N ATOM 0 H LYS A 29 0.702 -0.604 -8.354 1.00 0.39 H new ATOM 0 HA LYS A 29 0.521 -3.021 -9.905 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.755 -2.122 -7.243 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.968 -3.748 -7.862 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.920 -2.745 -9.999 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.825 -1.164 -9.249 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.348 -1.821 -7.481 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.298 -3.499 -7.984 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.742 -1.192 -9.320 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.416 -2.686 -8.698 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.253 -3.005 -10.996 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.907 -3.836 -10.378 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.707 -2.308 -11.092 1.00 1.44 H new ATOM 471 N ILE A 30 -1.446 -2.954 -7.373 1.00 0.41 N ATOM 472 CA ILE A 30 -2.613 -3.571 -6.826 1.00 0.44 C ATOM 473 C ILE A 30 -3.739 -3.688 -7.796 1.00 0.45 C ATOM 474 O ILE A 30 -4.621 -4.545 -7.779 1.00 0.56 O ATOM 475 CB ILE A 30 -2.964 -3.023 -5.475 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.824 -3.281 -4.476 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.323 -3.517 -4.950 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.861 -2.368 -3.250 1.00 1.32 C ATOM 0 H ILE A 30 -1.272 -2.038 -6.959 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.362 -4.614 -6.634 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.080 -1.945 -5.589 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.870 -4.319 -4.146 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.870 -3.151 -4.986 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.514 -3.082 -3.969 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.111 -3.216 -5.640 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.308 -4.604 -4.868 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.027 -2.609 -2.591 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.784 -1.328 -3.568 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.799 -2.515 -2.715 1.00 1.32 H new ATOM 490 N GLN A 31 -3.791 -2.813 -8.817 1.00 0.41 N ATOM 491 CA GLN A 31 -4.891 -2.767 -9.729 1.00 0.48 C ATOM 492 C GLN A 31 -4.616 -3.778 -10.788 1.00 0.52 C ATOM 493 O GLN A 31 -5.568 -4.368 -11.299 1.00 0.66 O ATOM 494 CB GLN A 31 -5.146 -1.354 -10.281 1.00 0.52 C ATOM 495 CG GLN A 31 -6.490 -1.181 -10.991 1.00 0.70 C ATOM 496 CD GLN A 31 -6.474 0.256 -11.492 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.458 0.861 -11.834 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.695 0.855 -11.507 1.00 1.43 N ATOM 0 H GLN A 31 -3.060 -2.129 -9.012 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.822 -3.012 -9.219 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.090 -0.641 -9.458 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.347 -1.100 -10.977 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.598 -1.887 -11.814 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.324 -1.355 -10.311 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.523 0.333 -11.219 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.783 1.826 -11.806 1.00 1.43 H new ATOM 507 N ASP A 32 -3.352 -4.116 -11.099 1.00 0.50 N ATOM 508 CA ASP A 32 -3.246 -5.264 -11.944 1.00 0.60 C ATOM 509 C ASP A 32 -3.437 -6.520 -11.166 1.00 0.65 C ATOM 510 O ASP A 32 -4.134 -7.437 -11.601 1.00 0.81 O ATOM 511 CB ASP A 32 -1.847 -5.206 -12.580 1.00 0.67 C ATOM 512 CG ASP A 32 -1.720 -4.280 -13.779 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.478 -3.275 -13.831 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.932 -4.648 -14.692 1.00 1.51 O ATOM 0 H ASP A 32 -2.490 -3.655 -10.806 1.00 0.50 H new ATOM 0 HA ASP A 32 -4.021 -5.262 -12.711 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.132 -4.890 -11.820 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.563 -6.213 -12.887 1.00 0.67 H new ATOM 519 N LYS A 33 -2.905 -6.547 -9.932 1.00 0.62 N ATOM 520 CA LYS A 33 -2.883 -7.751 -9.160 1.00 0.73 C ATOM 521 C LYS A 33 -4.245 -8.232 -8.793 1.00 0.69 C ATOM 522 O LYS A 33 -4.671 -9.297 -9.236 1.00 0.83 O ATOM 523 CB LYS A 33 -2.102 -7.469 -7.865 1.00 0.85 C ATOM 524 CG LYS A 33 -1.723 -8.662 -6.986 1.00 1.31 C ATOM 525 CD LYS A 33 -0.768 -9.670 -7.628 1.00 1.71 C ATOM 526 CE LYS A 33 0.560 -9.016 -8.014 1.00 2.26 C ATOM 527 NZ LYS A 33 1.425 -10.028 -8.659 1.00 2.62 N ATOM 0 H LYS A 33 -2.491 -5.738 -9.469 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.417 -8.528 -9.766 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.184 -6.947 -8.135 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.694 -6.782 -7.260 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.267 -8.287 -6.070 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.635 -9.184 -6.697 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.583 -10.490 -6.934 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.234 -10.101 -8.514 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.385 -8.182 -8.693 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.051 -8.610 -7.130 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.331 -9.592 -8.925 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.599 -10.810 -7.996 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.954 -10.395 -9.511 1.00 2.62 H new ATOM 541 N GLU A 34 -5.000 -7.418 -8.033 1.00 0.63 N ATOM 542 CA GLU A 34 -6.217 -7.702 -7.337 1.00 0.67 C ATOM 543 C GLU A 34 -7.350 -7.068 -8.065 1.00 0.69 C ATOM 544 O GLU A 34 -8.372 -7.696 -8.337 1.00 0.95 O ATOM 545 CB GLU A 34 -6.200 -7.107 -5.919 1.00 0.73 C ATOM 546 CG GLU A 34 -5.660 -8.161 -4.947 1.00 0.83 C ATOM 547 CD GLU A 34 -6.369 -9.498 -4.789 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.599 -9.397 -4.536 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.795 -10.599 -5.008 1.00 1.48 O ATOM 0 H GLU A 34 -4.721 -6.447 -7.892 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.325 -8.785 -7.280 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.576 -6.214 -5.892 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.205 -6.803 -5.625 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.632 -8.374 -5.241 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.620 -7.699 -3.961 1.00 0.83 H new ATOM 556 N GLY A 35 -7.232 -5.756 -8.339 1.00 0.63 N ATOM 557 CA GLY A 35 -8.208 -5.035 -9.095 1.00 0.68 C ATOM 558 C GLY A 35 -8.756 -3.764 -8.545 1.00 0.76 C ATOM 559 O GLY A 35 -9.328 -2.966 -9.286 1.00 1.12 O ATOM 0 H GLY A 35 -6.445 -5.186 -8.030 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.770 -4.810 -10.068 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.049 -5.706 -9.271 1.00 0.68 H new ATOM 563 N ILE A 36 -8.574 -3.492 -7.240 1.00 0.70 N ATOM 564 CA ILE A 36 -9.146 -2.351 -6.596 1.00 0.76 C ATOM 565 C ILE A 36 -8.569 -1.097 -7.156 1.00 0.71 C ATOM 566 O ILE A 36 -7.356 -1.095 -7.362 1.00 0.73 O ATOM 567 CB ILE A 36 -8.732 -2.335 -5.154 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.095 -3.645 -4.434 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.450 -1.211 -4.388 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.896 -4.206 -3.671 1.00 1.16 C ATOM 0 H ILE A 36 -8.017 -4.078 -6.619 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.226 -2.406 -6.733 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.652 -2.190 -5.159 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.919 -3.467 -3.743 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.442 -4.379 -5.161 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.133 -1.221 -3.345 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.199 -0.249 -4.834 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.528 -1.366 -4.441 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.183 -5.132 -3.172 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.082 -4.406 -4.368 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.566 -3.481 -2.927 1.00 1.16 H new ATOM 582 N PRO A 37 -9.253 -0.062 -7.545 1.00 0.75 N ATOM 583 CA PRO A 37 -8.699 1.120 -8.137 1.00 0.79 C ATOM 584 C PRO A 37 -8.015 1.997 -7.145 1.00 0.75 C ATOM 585 O PRO A 37 -8.283 1.878 -5.951 1.00 0.75 O ATOM 586 CB PRO A 37 -9.914 1.782 -8.786 1.00 0.95 C ATOM 587 CG PRO A 37 -11.084 1.405 -7.865 1.00 1.02 C ATOM 588 CD PRO A 37 -10.701 -0.011 -7.407 1.00 0.85 C ATOM 0 HA PRO A 37 -7.907 0.904 -8.854 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.791 2.863 -8.852 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.072 1.417 -9.801 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.177 2.093 -7.024 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.037 1.417 -8.394 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.008 -0.191 -6.377 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.185 -0.771 -8.021 1.00 0.85 H new ATOM 596 N PRO A 38 -7.077 2.829 -7.488 1.00 0.81 N ATOM 597 CA PRO A 38 -6.318 3.602 -6.549 1.00 0.85 C ATOM 598 C PRO A 38 -7.019 4.617 -5.713 1.00 0.89 C ATOM 599 O PRO A 38 -6.599 4.815 -4.574 1.00 0.99 O ATOM 600 CB PRO A 38 -5.236 4.348 -7.326 1.00 1.01 C ATOM 601 CG PRO A 38 -5.032 3.373 -8.498 1.00 1.25 C ATOM 602 CD PRO A 38 -6.458 2.889 -8.803 1.00 0.98 C ATOM 0 HA PRO A 38 -5.973 2.855 -5.834 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.564 5.334 -7.656 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.328 4.493 -6.741 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.581 3.867 -9.359 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.376 2.547 -8.225 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.984 3.577 -9.465 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.457 1.915 -9.292 1.00 0.98 H new ATOM 610 N ASP A 39 -8.143 5.194 -6.174 1.00 0.96 N ATOM 611 CA ASP A 39 -8.863 6.127 -5.364 1.00 1.11 C ATOM 612 C ASP A 39 -9.384 5.534 -4.099 1.00 1.00 C ATOM 613 O ASP A 39 -9.489 6.171 -3.053 1.00 1.14 O ATOM 614 CB ASP A 39 -10.150 6.488 -6.125 1.00 1.39 C ATOM 615 CG ASP A 39 -9.907 7.395 -7.324 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.441 6.947 -8.406 1.00 2.25 O ATOM 617 OD2 ASP A 39 -10.335 8.571 -7.177 1.00 2.23 O ATOM 0 H ASP A 39 -8.549 5.019 -7.093 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.177 6.947 -5.150 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.633 5.571 -6.464 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.842 6.979 -5.441 1.00 1.39 H new ATOM 622 N GLN A 40 -9.729 4.236 -4.180 1.00 0.87 N ATOM 623 CA GLN A 40 -10.410 3.585 -3.104 1.00 0.84 C ATOM 624 C GLN A 40 -9.504 3.001 -2.076 1.00 0.67 C ATOM 625 O GLN A 40 -9.872 2.719 -0.938 1.00 0.80 O ATOM 626 CB GLN A 40 -11.333 2.493 -3.671 1.00 0.95 C ATOM 627 CG GLN A 40 -12.397 1.960 -2.710 1.00 1.32 C ATOM 628 CD GLN A 40 -13.355 1.001 -3.401 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.672 1.236 -4.702 1.00 1.70 O flip ATOM 630 NE2 GLN A 40 -13.800 0.055 -2.752 1.00 2.02 N flip ATOM 0 H GLN A 40 -9.538 3.640 -4.986 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.987 4.355 -2.591 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.833 2.889 -4.555 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.716 1.657 -4.001 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.912 1.451 -1.877 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.958 2.795 -2.290 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.525 -0.069 -1.778 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.444 -0.605 -3.188 1.00 2.02 H new ATOM 639 N GLN A 41 -8.219 2.840 -2.442 1.00 0.56 N ATOM 640 CA GLN A 41 -7.246 2.198 -1.614 1.00 0.51 C ATOM 641 C GLN A 41 -6.630 3.197 -0.696 1.00 0.49 C ATOM 642 O GLN A 41 -6.192 4.229 -1.202 1.00 0.65 O ATOM 643 CB GLN A 41 -6.155 1.644 -2.546 1.00 0.67 C ATOM 644 CG GLN A 41 -6.496 0.434 -3.417 1.00 0.69 C ATOM 645 CD GLN A 41 -5.284 -0.005 -4.228 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.265 -0.269 -3.592 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.289 0.065 -5.586 1.00 0.61 N ATOM 0 H GLN A 41 -7.848 3.164 -3.335 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.706 1.407 -1.022 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.839 2.452 -3.207 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.294 1.380 -1.931 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.836 -0.389 -2.788 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.318 0.683 -4.088 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.152 0.286 -6.082 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.429 -0.104 -6.109 1.00 0.61 H new ATOM 656 N ARG A 42 -6.620 2.934 0.623 1.00 0.47 N ATOM 657 CA ARG A 42 -5.849 3.788 1.471 1.00 0.55 C ATOM 658 C ARG A 42 -4.812 2.927 2.106 1.00 0.46 C ATOM 659 O ARG A 42 -5.091 1.932 2.775 1.00 0.52 O ATOM 660 CB ARG A 42 -6.671 4.423 2.605 1.00 0.73 C ATOM 661 CG ARG A 42 -7.895 5.174 2.076 1.00 1.04 C ATOM 662 CD ARG A 42 -8.578 6.147 3.038 1.00 1.28 C ATOM 663 NE ARG A 42 -9.611 6.814 2.197 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.559 7.701 2.615 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.302 8.608 3.602 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.721 7.851 1.915 1.00 2.78 N ATOM 0 H ARG A 42 -7.117 2.172 1.084 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.447 4.599 0.864 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.994 3.646 3.297 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.040 5.110 3.169 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.594 5.730 1.188 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.633 4.438 1.757 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.027 5.625 3.883 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.870 6.867 3.448 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.609 6.583 1.204 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.384 8.633 4.045 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.028 9.261 3.897 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.885 7.298 1.074 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.426 8.516 2.233 1.00 2.78 H new ATOM 680 N LEU A 43 -3.523 3.305 2.040 1.00 0.46 N ATOM 681 CA LEU A 43 -2.501 2.580 2.728 1.00 0.42 C ATOM 682 C LEU A 43 -2.184 3.161 4.063 1.00 0.43 C ATOM 683 O LEU A 43 -1.949 4.358 4.221 1.00 0.55 O ATOM 684 CB LEU A 43 -1.177 2.362 1.976 1.00 0.55 C ATOM 685 CG LEU A 43 -1.495 1.370 0.844 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.445 1.503 -0.273 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.609 -0.097 1.290 1.00 1.12 C ATOM 0 H LEU A 43 -3.189 4.111 1.511 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.967 1.599 2.824 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.795 3.302 1.577 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.411 1.964 2.641 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.486 1.641 0.479 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.674 0.799 -1.073 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.461 2.519 -0.668 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.544 1.286 0.130 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.835 -0.723 0.427 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.666 -0.417 1.734 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.407 -0.193 2.026 1.00 1.12 H new ATOM 699 N ILE A 44 -2.033 2.271 5.060 1.00 0.42 N ATOM 700 CA ILE A 44 -1.695 2.627 6.403 1.00 0.46 C ATOM 701 C ILE A 44 -0.486 1.885 6.858 1.00 0.42 C ATOM 702 O ILE A 44 -0.411 0.659 6.937 1.00 0.53 O ATOM 703 CB ILE A 44 -2.800 2.361 7.382 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.997 3.227 6.959 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.463 2.657 8.853 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.247 3.055 7.822 1.00 1.27 C ATOM 0 H ILE A 44 -2.151 1.267 4.926 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.508 3.701 6.381 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.003 1.291 7.349 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.697 4.275 6.983 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.251 2.992 5.925 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.328 2.432 9.477 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.620 2.040 9.164 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.202 3.710 8.962 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.039 3.705 7.449 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.579 2.018 7.779 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.016 3.320 8.854 1.00 1.27 H new ATOM 718 N PHE A 45 0.569 2.657 7.170 1.00 0.42 N ATOM 719 CA PHE A 45 1.829 2.132 7.597 1.00 0.46 C ATOM 720 C PHE A 45 1.797 2.533 9.031 1.00 0.68 C ATOM 721 O PHE A 45 1.930 3.689 9.430 1.00 1.50 O ATOM 722 CB PHE A 45 3.045 2.753 6.890 1.00 0.56 C ATOM 723 CG PHE A 45 4.394 2.380 7.403 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.645 1.099 7.835 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.341 3.356 7.608 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.891 0.801 8.335 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.552 3.023 8.166 1.00 1.33 C ATOM 728 CZ PHE A 45 6.884 1.735 8.517 1.00 1.02 C ATOM 0 H PHE A 45 0.546 3.676 7.124 1.00 0.42 H new ATOM 0 HA PHE A 45 1.943 1.068 7.388 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.998 2.482 5.835 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.950 3.838 6.945 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.878 0.341 7.783 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.134 4.379 7.332 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.102 -0.225 8.600 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.275 3.807 8.336 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.857 1.475 8.908 1.00 1.02 H new ATOM 738 N ALA A 46 1.608 1.512 9.887 1.00 0.81 N ATOM 739 CA ALA A 46 1.385 1.589 11.298 1.00 0.96 C ATOM 740 C ALA A 46 0.194 2.402 11.673 1.00 0.97 C ATOM 741 O ALA A 46 -0.843 1.880 12.080 1.00 1.21 O ATOM 742 CB ALA A 46 2.678 2.006 12.019 1.00 1.20 C ATOM 0 H ALA A 46 1.612 0.546 9.560 1.00 0.81 H new ATOM 0 HA ALA A 46 1.127 0.589 11.646 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.495 2.061 13.092 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.458 1.271 11.821 1.00 1.20 H new ATOM 0 HB3 ALA A 46 2.999 2.982 11.655 1.00 1.20 H new ATOM 748 N GLY A 47 0.252 3.743 11.586 1.00 0.99 N ATOM 749 CA GLY A 47 -0.851 4.602 11.886 1.00 1.10 C ATOM 750 C GLY A 47 -0.719 5.765 10.964 1.00 1.03 C ATOM 751 O GLY A 47 -1.494 6.717 11.036 1.00 1.30 O ATOM 0 H GLY A 47 1.092 4.245 11.298 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.800 4.088 11.734 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.825 4.923 12.927 1.00 1.10 H new ATOM 755 N LYS A 48 0.215 5.801 9.997 1.00 0.98 N ATOM 756 CA LYS A 48 0.370 6.861 9.049 1.00 1.05 C ATOM 757 C LYS A 48 -0.355 6.534 7.790 1.00 0.84 C ATOM 758 O LYS A 48 -0.127 5.517 7.138 1.00 0.81 O ATOM 759 CB LYS A 48 1.874 7.115 8.853 1.00 1.42 C ATOM 760 CG LYS A 48 2.282 8.267 7.934 1.00 1.61 C ATOM 761 CD LYS A 48 1.780 9.635 8.401 1.00 1.87 C ATOM 762 CE LYS A 48 1.856 9.904 9.906 1.00 2.22 C ATOM 763 NZ LYS A 48 1.100 11.109 10.313 1.00 2.55 N ATOM 0 H LYS A 48 0.897 5.053 9.870 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.076 7.788 9.410 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.315 7.295 9.833 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.322 6.200 8.465 1.00 1.42 H new ATOM 0 HG2 LYS A 48 3.369 8.294 7.861 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.900 8.073 6.932 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.354 10.405 7.886 1.00 1.87 H new ATOM 0 HD3 LYS A 48 0.743 9.746 8.085 1.00 1.87 H new ATOM 0 HE2 LYS A 48 1.469 9.039 10.445 1.00 2.22 H new ATOM 0 HE3 LYS A 48 2.900 10.020 10.197 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 1.186 11.242 11.341 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 1.484 11.942 9.822 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 0.098 10.991 10.062 1.00 2.55 H new ATOM 777 N GLN A 49 -1.348 7.350 7.394 1.00 0.84 N ATOM 778 CA GLN A 49 -2.025 7.151 6.150 1.00 0.80 C ATOM 779 C GLN A 49 -1.297 7.898 5.087 1.00 0.72 C ATOM 780 O GLN A 49 -1.062 9.103 5.172 1.00 0.83 O ATOM 781 CB GLN A 49 -3.482 7.639 6.231 1.00 1.03 C ATOM 782 CG GLN A 49 -4.359 7.382 5.005 1.00 1.67 C ATOM 783 CD GLN A 49 -5.762 7.958 5.137 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.644 7.402 5.789 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.997 9.023 4.326 1.00 2.48 N ATOM 0 H GLN A 49 -1.682 8.148 7.935 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.042 6.086 5.918 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.953 7.165 7.092 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.472 8.712 6.424 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.878 7.812 4.126 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.429 6.307 4.836 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.229 9.448 3.806 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.942 9.398 4.237 1.00 2.48 H new ATOM 794 N LEU A 50 -0.865 7.129 4.071 1.00 0.69 N ATOM 795 CA LEU A 50 0.123 7.636 3.171 1.00 0.66 C ATOM 796 C LEU A 50 -0.478 8.538 2.148 1.00 0.72 C ATOM 797 O LEU A 50 -1.661 8.425 1.827 1.00 0.90 O ATOM 798 CB LEU A 50 0.983 6.548 2.505 1.00 0.65 C ATOM 799 CG LEU A 50 1.342 5.393 3.454 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.011 4.240 2.688 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.262 5.820 4.611 1.00 0.74 C ATOM 0 H LEU A 50 -1.189 6.182 3.876 1.00 0.69 H new ATOM 0 HA LEU A 50 0.804 8.217 3.794 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.448 6.149 1.643 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.901 6.999 2.129 1.00 0.65 H new ATOM 0 HG LEU A 50 0.396 5.063 3.884 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.255 3.436 3.382 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.329 3.866 1.925 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.924 4.600 2.214 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.476 4.958 5.243 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.194 6.215 4.208 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.768 6.590 5.204 1.00 0.74 H new ATOM 813 N GLU A 51 0.340 9.332 1.435 1.00 0.70 N ATOM 814 CA GLU A 51 0.010 10.191 0.340 1.00 0.76 C ATOM 815 C GLU A 51 0.673 9.747 -0.918 1.00 0.77 C ATOM 816 O GLU A 51 1.771 9.200 -1.024 1.00 1.23 O ATOM 817 CB GLU A 51 0.272 11.686 0.593 1.00 0.88 C ATOM 818 CG GLU A 51 -0.525 12.694 -0.238 1.00 1.35 C ATOM 819 CD GLU A 51 -0.225 14.129 0.170 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.798 14.457 0.826 1.00 1.89 O ATOM 821 OE2 GLU A 51 -1.142 14.947 -0.107 1.00 1.94 O ATOM 0 H GLU A 51 1.336 9.375 1.650 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.071 10.098 0.231 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.076 11.888 1.646 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.332 11.875 0.424 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.290 12.560 -1.294 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.591 12.499 -0.121 1.00 1.35 H new ATOM 828 N ASP A 52 -0.103 9.778 -2.016 1.00 0.66 N ATOM 829 CA ASP A 52 0.255 9.144 -3.246 1.00 0.65 C ATOM 830 C ASP A 52 1.463 9.539 -4.022 1.00 0.60 C ATOM 831 O ASP A 52 2.182 8.718 -4.589 1.00 0.62 O ATOM 832 CB ASP A 52 -0.876 9.203 -4.287 1.00 0.81 C ATOM 833 CG ASP A 52 -2.142 8.647 -3.652 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.740 9.312 -2.764 1.00 1.44 O ATOM 835 OD2 ASP A 52 -2.489 7.477 -3.965 1.00 1.56 O ATOM 0 H ASP A 52 -1.003 10.257 -2.049 1.00 0.66 H new ATOM 0 HA ASP A 52 0.482 8.172 -2.807 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.036 10.230 -4.616 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.609 8.624 -5.171 1.00 0.81 H new ATOM 840 N GLY A 53 1.721 10.858 -4.104 1.00 0.68 N ATOM 841 CA GLY A 53 2.946 11.336 -4.665 1.00 0.73 C ATOM 842 C GLY A 53 4.116 11.501 -3.757 1.00 0.72 C ATOM 843 O GLY A 53 4.922 12.403 -3.981 1.00 0.97 O ATOM 0 H GLY A 53 1.085 11.588 -3.784 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.237 10.652 -5.463 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.746 12.301 -5.130 1.00 0.73 H new ATOM 847 N ARG A 54 4.287 10.717 -2.677 1.00 0.64 N ATOM 848 CA ARG A 54 5.511 10.560 -1.954 1.00 0.63 C ATOM 849 C ARG A 54 6.075 9.221 -2.290 1.00 0.59 C ATOM 850 O ARG A 54 5.541 8.246 -2.813 1.00 0.62 O ATOM 851 CB ARG A 54 5.184 10.742 -0.463 1.00 0.69 C ATOM 852 CG ARG A 54 4.297 11.892 0.019 1.00 0.82 C ATOM 853 CD ARG A 54 4.995 13.253 -0.040 1.00 1.18 C ATOM 854 NE ARG A 54 3.857 14.188 0.190 1.00 1.50 N ATOM 855 CZ ARG A 54 3.972 15.454 0.686 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.160 16.094 0.892 1.00 2.48 N ATOM 857 NH2 ARG A 54 2.847 16.172 0.972 1.00 2.49 N ATOM 0 H ARG A 54 3.526 10.161 -2.286 1.00 0.64 H new ATOM 0 HA ARG A 54 6.270 11.297 -2.217 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.718 9.817 -0.124 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.135 10.831 0.063 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.394 11.927 -0.590 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.983 11.696 1.044 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.766 13.351 0.724 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.477 13.424 -1.003 1.00 1.18 H new ATOM 0 HE ARG A 54 2.921 13.856 -0.041 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.038 15.624 0.671 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.170 17.043 1.267 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.926 15.762 0.815 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.927 17.119 1.343 1.00 2.49 H new ATOM 871 N THR A 55 7.375 9.021 -2.009 1.00 0.63 N ATOM 872 CA THR A 55 8.034 7.757 -2.117 1.00 0.61 C ATOM 873 C THR A 55 7.814 6.969 -0.871 1.00 0.59 C ATOM 874 O THR A 55 7.425 7.507 0.165 1.00 0.64 O ATOM 875 CB THR A 55 9.483 7.809 -2.506 1.00 0.68 C ATOM 876 OG1 THR A 55 10.323 8.583 -1.663 1.00 0.75 O ATOM 877 CG2 THR A 55 9.543 8.554 -3.849 1.00 0.76 C ATOM 0 H THR A 55 7.991 9.770 -1.694 1.00 0.63 H new ATOM 0 HA THR A 55 7.571 7.250 -2.964 1.00 0.61 H new ATOM 0 HB THR A 55 9.830 6.776 -2.484 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.984 9.501 -1.618 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.579 8.622 -4.182 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.958 8.012 -4.592 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.135 9.557 -3.727 1.00 0.76 H new ATOM 885 N LEU A 56 8.067 5.650 -0.913 1.00 0.58 N ATOM 886 CA LEU A 56 8.055 4.789 0.230 1.00 0.59 C ATOM 887 C LEU A 56 9.148 5.194 1.156 1.00 0.64 C ATOM 888 O LEU A 56 8.999 5.154 2.376 1.00 0.70 O ATOM 889 CB LEU A 56 8.375 3.362 -0.247 1.00 0.60 C ATOM 890 CG LEU A 56 7.244 2.796 -1.124 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.678 1.743 -2.156 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.326 2.080 -0.119 1.00 1.03 C ATOM 0 H LEU A 56 8.290 5.161 -1.780 1.00 0.58 H new ATOM 0 HA LEU A 56 7.086 4.844 0.726 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.308 3.366 -0.811 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.527 2.714 0.616 1.00 0.60 H new ATOM 0 HG LEU A 56 6.806 3.612 -1.699 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.809 1.408 -2.722 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.408 2.180 -2.837 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.126 0.892 -1.642 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.481 1.639 -0.648 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.886 1.295 0.390 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.959 2.798 0.615 1.00 1.03 H new ATOM 904 N SER A 57 10.371 5.513 0.691 1.00 0.68 N ATOM 905 CA SER A 57 11.380 5.877 1.636 1.00 0.75 C ATOM 906 C SER A 57 11.130 7.149 2.368 1.00 0.76 C ATOM 907 O SER A 57 11.567 7.334 3.503 1.00 0.84 O ATOM 908 CB SER A 57 12.775 5.918 0.990 1.00 0.84 C ATOM 909 OG SER A 57 12.942 6.973 0.056 1.00 1.19 O ATOM 0 H SER A 57 10.652 5.520 -0.289 1.00 0.68 H new ATOM 0 HA SER A 57 11.338 5.084 2.382 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.526 6.017 1.774 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.961 4.968 0.489 1.00 0.84 H new ATOM 0 HG SER A 57 13.849 6.942 -0.314 1.00 1.19 H new ATOM 915 N ASP A 58 10.292 8.056 1.835 1.00 0.75 N ATOM 916 CA ASP A 58 9.761 9.182 2.540 1.00 0.78 C ATOM 917 C ASP A 58 8.952 8.926 3.765 1.00 0.77 C ATOM 918 O ASP A 58 8.802 9.782 4.635 1.00 0.86 O ATOM 919 CB ASP A 58 8.942 10.177 1.702 1.00 0.83 C ATOM 920 CG ASP A 58 9.733 10.708 0.515 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.843 11.271 0.712 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.160 10.675 -0.607 1.00 1.86 O ATOM 0 H ASP A 58 9.970 8.002 0.869 1.00 0.75 H new ATOM 0 HA ASP A 58 10.721 9.606 2.834 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.035 9.690 1.345 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.629 11.010 2.331 1.00 0.83 H new ATOM 927 N TYR A 59 8.407 7.732 4.056 1.00 0.72 N ATOM 928 CA TYR A 59 7.636 7.359 5.202 1.00 0.73 C ATOM 929 C TYR A 59 8.379 6.326 5.977 1.00 0.76 C ATOM 930 O TYR A 59 7.817 5.776 6.923 1.00 0.89 O ATOM 931 CB TYR A 59 6.310 6.801 4.656 1.00 0.73 C ATOM 932 CG TYR A 59 5.393 7.904 4.258 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.760 8.591 5.267 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.855 7.974 2.994 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.823 9.538 4.927 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.939 8.926 2.613 1.00 0.70 C ATOM 937 CZ TYR A 59 3.427 9.710 3.621 1.00 0.74 C ATOM 938 OH TYR A 59 2.498 10.711 3.269 1.00 0.86 O ATOM 0 H TYR A 59 8.520 6.944 3.418 1.00 0.72 H new ATOM 0 HA TYR A 59 7.450 8.198 5.873 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.507 6.159 3.797 1.00 0.73 H new ATOM 0 HB3 TYR A 59 5.832 6.181 5.414 1.00 0.73 H new ATOM 0 HD1 TYR A 59 4.993 8.391 6.302 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.168 7.243 2.263 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.390 10.158 5.699 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.639 9.051 1.583 1.00 0.70 H new ATOM 0 HH TYR A 59 2.975 11.540 3.057 1.00 0.86 H new ATOM 948 N ASN A 60 9.663 6.106 5.640 1.00 0.74 N ATOM 949 CA ASN A 60 10.560 5.181 6.260 1.00 0.79 C ATOM 950 C ASN A 60 10.195 3.751 6.058 1.00 0.75 C ATOM 951 O ASN A 60 10.452 2.984 6.984 1.00 0.86 O ATOM 952 CB ASN A 60 10.973 5.525 7.700 1.00 0.95 C ATOM 953 CG ASN A 60 12.430 5.188 7.985 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.774 4.508 8.950 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.353 5.712 7.134 1.00 1.83 N ATOM 0 H ASN A 60 10.106 6.615 4.875 1.00 0.74 H new ATOM 0 HA ASN A 60 11.484 5.318 5.697 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.808 6.588 7.878 1.00 0.95 H new ATOM 0 HB3 ASN A 60 10.335 4.982 8.397 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.346 5.543 7.292 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.052 6.274 6.338 1.00 1.83 H new ATOM 962 N ILE A 61 9.620 3.361 4.907 1.00 0.67 N ATOM 963 CA ILE A 61 9.120 2.053 4.612 1.00 0.65 C ATOM 964 C ILE A 61 10.264 1.345 3.970 1.00 0.66 C ATOM 965 O ILE A 61 10.859 1.891 3.042 1.00 0.75 O ATOM 966 CB ILE A 61 7.898 2.073 3.742 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.824 2.816 4.554 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.442 0.681 3.275 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.650 3.184 3.647 1.00 0.82 C ATOM 0 H ILE A 61 9.496 4.006 4.127 1.00 0.67 H new ATOM 0 HA ILE A 61 8.781 1.545 5.515 1.00 0.65 H new ATOM 0 HB ILE A 61 8.109 2.582 2.802 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.478 2.189 5.376 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.249 3.717 4.997 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.554 0.779 2.651 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.239 0.211 2.699 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.209 0.064 4.143 1.00 0.72 H new ATOM 0 HD11 ILE A 61 4.892 3.710 4.228 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.001 3.828 2.841 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.218 2.277 3.225 1.00 0.82 H new ATOM 981 N GLN A 62 10.669 0.161 4.461 1.00 0.67 N ATOM 982 CA GLN A 62 11.889 -0.453 4.038 1.00 0.70 C ATOM 983 C GLN A 62 11.607 -1.830 3.547 1.00 0.62 C ATOM 984 O GLN A 62 10.453 -2.229 3.392 1.00 0.64 O ATOM 985 CB GLN A 62 12.866 -0.460 5.227 1.00 0.85 C ATOM 986 CG GLN A 62 13.288 0.950 5.644 1.00 1.27 C ATOM 987 CD GLN A 62 14.238 0.976 6.832 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.067 0.632 8.000 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.435 1.563 6.557 1.00 2.16 N ATOM 0 H GLN A 62 10.148 -0.374 5.155 1.00 0.67 H new ATOM 0 HA GLN A 62 12.342 0.103 3.217 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.399 -0.962 6.074 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.752 -1.038 4.963 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.766 1.443 4.797 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.398 1.529 5.889 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.645 1.873 5.608 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.122 1.692 7.300 1.00 2.16 H new ATOM 998 N LYS A 63 12.619 -2.667 3.256 1.00 0.64 N ATOM 999 CA LYS A 63 12.515 -4.078 3.056 1.00 0.62 C ATOM 1000 C LYS A 63 11.824 -4.772 4.179 1.00 0.59 C ATOM 1001 O LYS A 63 12.024 -4.387 5.329 1.00 0.66 O ATOM 1002 CB LYS A 63 13.868 -4.691 2.654 1.00 0.74 C ATOM 1003 CG LYS A 63 14.998 -4.391 3.642 1.00 0.89 C ATOM 1004 CD LYS A 63 16.353 -4.944 3.197 1.00 1.11 C ATOM 1005 CE LYS A 63 17.504 -4.577 4.135 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.404 -5.014 5.545 1.00 2.12 N ATOM 0 H LYS A 63 13.577 -2.332 3.154 1.00 0.64 H new ATOM 0 HA LYS A 63 11.857 -4.244 2.203 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.755 -5.771 2.563 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.149 -4.316 1.670 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.079 -3.312 3.774 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.743 -4.813 4.614 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.287 -6.030 3.125 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.577 -4.571 2.198 1.00 1.11 H new ATOM 0 HE2 LYS A 63 18.422 -4.992 3.719 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.612 -3.492 4.126 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.247 -4.700 6.066 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 16.555 -4.598 5.978 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.340 -6.051 5.583 1.00 2.12 H new ATOM 1020 N GLU A 64 11.015 -5.771 3.783 1.00 0.57 N ATOM 1021 CA GLU A 64 10.289 -6.690 4.604 1.00 0.58 C ATOM 1022 C GLU A 64 9.288 -6.087 5.529 1.00 0.56 C ATOM 1023 O GLU A 64 9.140 -6.417 6.705 1.00 0.70 O ATOM 1024 CB GLU A 64 11.115 -7.773 5.317 1.00 0.72 C ATOM 1025 CG GLU A 64 12.393 -8.299 4.661 1.00 0.96 C ATOM 1026 CD GLU A 64 13.013 -9.436 5.460 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.513 -10.591 5.484 1.00 1.71 O ATOM 1028 OE2 GLU A 64 14.106 -9.187 6.037 1.00 1.69 O ATOM 0 H GLU A 64 10.855 -5.951 2.792 1.00 0.57 H new ATOM 0 HA GLU A 64 9.723 -7.209 3.830 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.388 -7.383 6.298 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.459 -8.627 5.485 1.00 0.72 H new ATOM 0 HG2 GLU A 64 12.168 -8.645 3.652 1.00 0.96 H new ATOM 0 HG3 GLU A 64 13.114 -7.487 4.566 1.00 0.96 H new ATOM 1035 N SER A 65 8.674 -5.029 4.971 1.00 0.51 N ATOM 1036 CA SER A 65 7.879 -4.124 5.742 1.00 0.51 C ATOM 1037 C SER A 65 6.461 -4.354 5.346 1.00 0.43 C ATOM 1038 O SER A 65 6.212 -4.742 4.205 1.00 0.50 O ATOM 1039 CB SER A 65 8.266 -2.666 5.438 1.00 0.65 C ATOM 1040 OG SER A 65 7.404 -1.660 5.949 1.00 1.04 O ATOM 0 H SER A 65 8.729 -4.799 3.979 1.00 0.51 H new ATOM 0 HA SER A 65 8.032 -4.294 6.808 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.267 -2.490 5.832 1.00 0.65 H new ATOM 0 HB3 SER A 65 8.324 -2.547 4.356 1.00 0.65 H new ATOM 0 HG SER A 65 7.922 -0.850 6.137 1.00 1.04 H new ATOM 1046 N THR A 66 5.515 -4.320 6.302 1.00 0.45 N ATOM 1047 CA THR A 66 4.166 -4.762 6.127 1.00 0.45 C ATOM 1048 C THR A 66 3.279 -3.572 6.243 1.00 0.43 C ATOM 1049 O THR A 66 3.205 -2.937 7.294 1.00 0.58 O ATOM 1050 CB THR A 66 3.629 -5.812 7.054 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.405 -7.001 7.067 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.191 -6.232 6.703 1.00 0.78 C ATOM 0 H THR A 66 5.700 -3.968 7.241 1.00 0.45 H new ATOM 0 HA THR A 66 4.179 -5.249 5.152 1.00 0.45 H new ATOM 0 HB THR A 66 3.664 -5.332 8.032 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.007 -7.645 7.689 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.853 -6.994 7.406 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.534 -5.365 6.764 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.167 -6.636 5.691 1.00 0.78 H new ATOM 1060 N LEU A 67 2.491 -3.235 5.206 1.00 0.38 N ATOM 1061 CA LEU A 67 1.487 -2.219 5.144 1.00 0.38 C ATOM 1062 C LEU A 67 0.124 -2.799 5.299 1.00 0.37 C ATOM 1063 O LEU A 67 -0.085 -4.008 5.222 1.00 0.50 O ATOM 1064 CB LEU A 67 1.532 -1.631 3.723 1.00 0.46 C ATOM 1065 CG LEU A 67 2.807 -0.809 3.475 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.784 -0.184 2.070 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.013 0.249 4.572 1.00 1.31 C ATOM 0 H LEU A 67 2.568 -3.730 4.317 1.00 0.38 H new ATOM 0 HA LEU A 67 1.674 -1.490 5.932 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.476 -2.440 2.995 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.658 -0.999 3.565 1.00 0.46 H new ATOM 0 HG LEU A 67 3.663 -1.483 3.522 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.695 0.394 1.914 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.722 -0.974 1.321 1.00 1.40 H new ATOM 0 HD13 LEU A 67 1.918 0.472 1.978 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.923 0.813 4.367 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.161 0.928 4.587 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.102 -0.243 5.540 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.863 -1.951 5.639 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.233 -2.277 5.890 1.00 0.37 C ATOM 1081 C HIS A 68 -3.144 -1.491 5.010 1.00 0.35 C ATOM 1082 O HIS A 68 -3.287 -0.270 5.067 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.673 -2.026 7.343 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.714 -2.576 8.356 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.719 -1.832 8.956 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.482 -3.862 8.733 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.063 -2.691 9.663 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.401 -3.926 9.590 1.00 1.51 N ATOM 0 H HIS A 68 -0.686 -0.952 5.747 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.304 -3.345 5.683 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.783 -0.953 7.502 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.654 -2.474 7.501 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.062 -4.713 8.408 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.947 -2.402 10.212 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.038 -4.752 10.066 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.728 -2.264 4.078 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.561 -1.708 3.057 1.00 0.38 C ATOM 1098 C LEU A 69 -5.969 -1.732 3.545 1.00 0.41 C ATOM 1099 O LEU A 69 -6.555 -2.753 3.900 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.592 -2.525 1.755 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.510 -2.058 0.611 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.195 -0.710 -0.058 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.524 -3.213 -0.404 1.00 1.14 C ATOM 0 H LEU A 69 -3.623 -3.278 4.031 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.156 -0.717 2.851 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.574 -2.566 1.366 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.877 -3.545 2.012 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.486 -1.839 1.045 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.925 -0.514 -0.844 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.241 0.085 0.686 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.195 -0.744 -0.491 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.161 -2.948 -1.248 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.510 -3.398 -0.758 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.911 -4.113 0.074 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.626 -0.560 3.588 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.997 -0.350 3.934 1.00 0.56 C ATOM 1117 C VAL A 70 -8.749 0.244 2.794 1.00 0.55 C ATOM 1118 O VAL A 70 -8.390 1.234 2.157 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.303 0.299 5.251 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.532 -0.346 6.415 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.970 1.801 5.225 1.00 0.97 C ATOM 0 H VAL A 70 -6.155 0.316 3.361 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.365 -1.358 4.124 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.372 0.155 5.411 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.788 0.160 7.346 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.800 -1.400 6.489 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.461 -0.256 6.236 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -8.203 2.242 6.194 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.910 1.935 5.011 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.561 2.291 4.452 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.002 -0.208 2.603 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.805 0.360 1.564 1.00 0.84 C ATOM 1133 C LEU A 71 -11.821 1.280 2.146 1.00 0.85 C ATOM 1134 O LEU A 71 -12.429 0.913 3.151 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.420 -0.762 0.709 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.440 -1.847 0.233 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.175 -2.800 -0.724 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.125 -1.291 -0.338 1.00 2.78 C ATOM 0 H LEU A 71 -10.449 -0.944 3.149 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.187 0.963 0.898 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.212 -1.240 1.285 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.889 -0.312 -0.166 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.109 -2.416 1.102 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.487 -3.573 -1.067 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.012 -3.264 -0.203 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.547 -2.239 -1.581 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.487 -2.117 -0.652 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.341 -0.653 -1.195 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.613 -0.708 0.428 1.00 2.78 H new ATOM 1150 N ARG A 72 -12.006 2.474 1.555 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.902 3.478 2.039 1.00 1.10 C ATOM 1152 C ARG A 72 -13.290 4.153 0.768 1.00 1.35 C ATOM 1153 O ARG A 72 -12.533 4.273 -0.194 1.00 1.56 O ATOM 1154 CB ARG A 72 -12.183 4.330 3.100 1.00 1.34 C ATOM 1155 CG ARG A 72 -13.127 5.289 3.828 1.00 1.65 C ATOM 1156 CD ARG A 72 -12.636 5.768 5.195 1.00 1.99 C ATOM 1157 NE ARG A 72 -12.938 7.212 5.403 1.00 2.54 N ATOM 1158 CZ ARG A 72 -12.780 7.831 6.610 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -12.749 7.202 7.821 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -12.757 9.196 6.614 1.00 3.75 N ATOM 0 H ARG A 72 -11.512 2.751 0.707 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.793 3.152 2.576 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -11.709 3.672 3.828 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -11.388 4.903 2.622 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -13.296 6.160 3.194 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -14.091 4.797 3.957 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -13.109 5.179 5.981 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -11.562 5.604 5.276 1.00 1.99 H new ATOM 0 HE ARG A 72 -13.276 7.760 4.612 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -12.848 6.188 7.872 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -12.626 7.746 8.675 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -12.856 9.710 5.739 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -12.641 9.702 7.492 1.00 3.75 H new ATOM 1174 N LEU A 73 -14.514 4.705 0.708 1.00 1.54 N ATOM 1175 CA LEU A 73 -14.913 5.521 -0.397 1.00 1.93 C ATOM 1176 C LEU A 73 -14.176 6.816 -0.430 1.00 2.13 C ATOM 1177 O LEU A 73 -14.165 7.548 0.557 1.00 2.57 O ATOM 1178 CB LEU A 73 -16.430 5.763 -0.459 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.238 4.456 -0.521 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.696 4.638 -0.065 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.124 3.928 -1.961 1.00 3.14 C ATOM 0 H LEU A 73 -15.229 4.586 1.426 1.00 1.54 H new ATOM 0 HA LEU A 73 -14.646 4.950 -1.286 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -16.739 6.335 0.416 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -16.661 6.370 -1.334 1.00 2.23 H new ATOM 0 HG LEU A 73 -16.831 3.726 0.179 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -19.219 3.684 -0.129 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -18.713 4.993 0.966 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.190 5.367 -0.708 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -17.684 2.998 -2.053 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -17.530 4.666 -2.652 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.076 3.746 -2.200 1.00 3.14 H new ATOM 1193 N ARG A 74 -13.658 7.193 -1.613 1.00 2.32 N ATOM 1194 CA ARG A 74 -13.113 8.493 -1.852 1.00 2.55 C ATOM 1195 C ARG A 74 -14.155 9.555 -1.766 1.00 2.58 C ATOM 1196 O ARG A 74 -15.189 9.512 -2.431 1.00 3.08 O ATOM 1197 CB ARG A 74 -12.315 8.584 -3.164 1.00 3.29 C ATOM 1198 CG ARG A 74 -11.472 9.848 -3.343 1.00 4.01 C ATOM 1199 CD ARG A 74 -10.722 10.100 -4.653 1.00 4.67 C ATOM 1200 NE ARG A 74 -9.805 11.271 -4.572 1.00 5.36 N ATOM 1201 CZ ARG A 74 -8.847 11.517 -5.513 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -8.889 10.824 -6.689 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -7.840 12.422 -5.337 1.00 6.80 N ATOM 0 H ARG A 74 -13.617 6.577 -2.425 1.00 2.32 H new ATOM 0 HA ARG A 74 -12.396 8.669 -1.050 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -11.656 7.718 -3.227 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -13.014 8.515 -3.998 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -12.131 10.701 -3.180 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -10.733 9.859 -2.542 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -10.148 9.211 -4.915 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -11.443 10.262 -5.455 1.00 4.67 H new ATOM 0 HE ARG A 74 -9.896 11.913 -3.784 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -9.626 10.138 -6.851 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -8.183 10.992 -7.406 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -7.778 12.953 -4.469 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -7.150 12.567 -6.074 1.00 6.80 H new ATOM 1217 N GLY A 75 -13.935 10.547 -0.886 1.00 2.73 N ATOM 1218 CA GLY A 75 -14.928 11.526 -0.568 1.00 3.22 C ATOM 1219 C GLY A 75 -14.503 12.017 0.773 1.00 3.16 C ATOM 1220 O GLY A 75 -13.986 13.124 0.917 1.00 3.57 O ATOM 0 H GLY A 75 -13.054 10.672 -0.387 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -14.950 12.331 -1.303 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -15.927 11.092 -0.540 1.00 3.22 H new ATOM 1224 N GLY A 76 -14.516 11.133 1.787 1.00 3.14 N ATOM 1225 CA GLY A 76 -14.113 11.462 3.118 1.00 3.37 C ATOM 1226 C GLY A 76 -13.244 10.345 3.680 1.00 3.48 C ATOM 1227 O GLY A 76 -13.648 9.159 3.545 1.00 3.87 O ATOM 1228 OXT GLY A 76 -12.208 10.589 4.353 1.00 3.70 O ATOM 0 H GLY A 76 -14.815 10.164 1.678 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -13.561 12.402 3.120 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -14.990 11.607 3.749 1.00 3.37 H new TER 1232 GLY A 76