USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 133:sc= 0.441 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.417 USER MOD Set 2.1: A 7 THR OG1 : rot 170:sc= 0.625 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc=0.000669 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 177:sc= 0.874 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0316) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.23 (180deg=0.952) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.12 (180deg=-0.181!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00948 USER MOD Single : A 25 ASN : amide:sc= 0.655 K(o=0.66,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 1.81 (180deg=1.41) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc=-0.00505 (180deg=-0.0566) USER MOD Single : A 31 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 41 GLN : amide:sc= 0.875 K(o=0.87,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.523 K(o=-0.52,f=-1.3) USER MOD Single : A 59 TYR OH : rot 130:sc= -0.0805 USER MOD Single : A 60 ASN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00725 K(o=-0.0073,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 90:sc= 1.1 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=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.271 -4.198 -3.646 1.00 0.78 N ATOM 2 CA MET A 1 12.857 -4.864 -2.390 1.00 0.70 C ATOM 3 C MET A 1 11.437 -5.313 -2.356 1.00 0.62 C ATOM 4 O MET A 1 10.565 -4.754 -3.019 1.00 0.68 O ATOM 5 CB MET A 1 13.165 -3.860 -1.267 1.00 0.75 C ATOM 6 CG MET A 1 12.370 -2.553 -1.262 1.00 0.79 C ATOM 7 SD MET A 1 12.592 -1.354 0.087 1.00 1.10 S ATOM 8 CE MET A 1 11.194 -0.295 -0.385 1.00 0.84 C ATOM 0 H1 MET A 1 14.063 -3.553 -3.452 1.00 0.78 H new ATOM 0 H2 MET A 1 13.570 -4.915 -4.337 1.00 0.78 H new ATOM 0 H3 MET A 1 12.471 -3.657 -4.032 1.00 0.78 H new ATOM 0 HA MET A 1 13.408 -5.798 -2.279 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.000 -4.360 -0.312 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.225 -3.611 -1.318 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.593 -2.035 -2.195 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.313 -2.817 -1.289 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.150 0.567 0.280 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.326 0.045 -1.412 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.266 -0.861 -0.307 1.00 0.84 H new ATOM 20 N GLN A 2 11.130 -6.389 -1.609 1.00 0.59 N ATOM 21 CA GLN A 2 9.833 -6.972 -1.460 1.00 0.56 C ATOM 22 C GLN A 2 9.286 -6.521 -0.150 1.00 0.50 C ATOM 23 O GLN A 2 9.823 -6.887 0.894 1.00 0.60 O ATOM 24 CB GLN A 2 9.852 -8.510 -1.458 1.00 0.71 C ATOM 25 CG GLN A 2 10.150 -9.030 -2.865 1.00 1.15 C ATOM 26 CD GLN A 2 10.596 -10.483 -2.791 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.810 -11.430 -2.786 1.00 1.87 O ATOM 28 NE2 GLN A 2 11.945 -10.644 -2.724 1.00 1.72 N ATOM 0 H GLN A 2 11.840 -6.886 -1.071 1.00 0.59 H new ATOM 0 HA GLN A 2 9.229 -6.655 -2.310 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.607 -8.872 -0.760 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.891 -8.894 -1.115 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.262 -8.944 -3.491 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.928 -8.424 -3.330 1.00 1.15 H new ATOM 0 HE21 GLN A 2 12.557 -9.828 -2.731 1.00 1.72 H new ATOM 0 HE22 GLN A 2 12.345 -11.581 -2.667 1.00 1.72 H new ATOM 37 N ILE A 3 8.224 -5.701 -0.234 1.00 0.44 N ATOM 38 CA ILE A 3 7.340 -5.321 0.824 1.00 0.42 C ATOM 39 C ILE A 3 6.050 -6.065 0.838 1.00 0.40 C ATOM 40 O ILE A 3 5.803 -6.891 -0.040 1.00 0.50 O ATOM 41 CB ILE A 3 7.036 -3.854 0.892 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.332 -3.378 -0.389 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.380 -3.135 1.097 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.445 -2.154 -0.168 1.00 0.72 C ATOM 0 H ILE A 3 7.963 -5.267 -1.119 1.00 0.44 H new ATOM 0 HA ILE A 3 7.920 -5.595 1.705 1.00 0.42 H new ATOM 0 HB ILE A 3 6.354 -3.632 1.713 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.083 -3.143 -1.143 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.725 -4.192 -0.786 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.212 -2.059 1.153 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.839 -3.480 2.023 1.00 0.61 H new ATOM 0 HG23 ILE A 3 9.042 -3.356 0.260 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.977 -1.869 -1.110 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.672 -2.392 0.563 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.052 -1.327 0.201 1.00 0.72 H new ATOM 56 N PHE A 4 5.167 -5.894 1.839 1.00 0.37 N ATOM 57 CA PHE A 4 3.989 -6.704 1.875 1.00 0.38 C ATOM 58 C PHE A 4 2.763 -5.857 1.907 1.00 0.39 C ATOM 59 O PHE A 4 2.678 -4.903 2.678 1.00 0.60 O ATOM 60 CB PHE A 4 3.963 -7.649 3.087 1.00 0.45 C ATOM 61 CG PHE A 4 5.130 -8.544 3.328 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.345 -9.623 2.504 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.987 -8.325 4.381 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.460 -10.405 2.697 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.944 -9.243 4.744 1.00 1.40 C ATOM 66 CZ PHE A 4 7.150 -10.293 3.881 1.00 0.85 C ATOM 0 H PHE A 4 5.262 -5.220 2.599 1.00 0.37 H new ATOM 0 HA PHE A 4 4.007 -7.306 0.966 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.827 -7.037 3.979 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.078 -8.279 2.995 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.646 -9.854 1.714 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.906 -7.404 4.940 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.787 -11.094 1.933 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.506 -9.144 5.661 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.874 -11.051 4.140 1.00 0.85 H new ATOM 76 N VAL A 5 1.664 -6.212 1.217 1.00 0.35 N ATOM 77 CA VAL A 5 0.397 -5.588 1.441 1.00 0.35 C ATOM 78 C VAL A 5 -0.547 -6.471 2.184 1.00 0.35 C ATOM 79 O VAL A 5 -0.817 -7.600 1.780 1.00 0.46 O ATOM 80 CB VAL A 5 -0.221 -5.000 0.206 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.400 -4.083 0.569 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.868 -4.166 -0.489 1.00 0.56 C ATOM 0 H VAL A 5 1.654 -6.936 0.499 1.00 0.35 H new ATOM 0 HA VAL A 5 0.610 -4.735 2.085 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.596 -5.794 -0.439 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.832 -3.668 -0.342 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.158 -4.658 1.101 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.047 -3.271 1.205 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.460 -3.718 -1.395 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.208 -3.378 0.184 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.709 -4.809 -0.748 1.00 0.56 H new ATOM 92 N LYS A 6 -1.055 -6.125 3.380 1.00 0.36 N ATOM 93 CA LYS A 6 -2.014 -6.929 4.074 1.00 0.39 C ATOM 94 C LYS A 6 -3.374 -6.376 3.821 1.00 0.46 C ATOM 95 O LYS A 6 -3.792 -5.268 4.155 1.00 0.53 O ATOM 96 CB LYS A 6 -1.692 -6.854 5.576 1.00 0.54 C ATOM 97 CG LYS A 6 -2.415 -7.947 6.368 1.00 1.22 C ATOM 98 CD LYS A 6 -1.923 -9.368 6.087 1.00 1.37 C ATOM 99 CE LYS A 6 -0.533 -9.547 6.702 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.164 -10.955 6.972 1.00 2.09 N ATOM 0 H LYS A 6 -0.796 -5.272 3.875 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.979 -7.964 3.735 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.616 -6.950 5.722 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.980 -5.876 5.961 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.302 -7.741 7.432 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.481 -7.895 6.145 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.617 -10.096 6.507 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.885 -9.547 5.013 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.207 -9.112 6.031 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.486 -8.986 7.635 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.752 -10.986 7.464 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.892 -11.396 7.569 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.092 -11.473 6.073 1.00 2.09 H new ATOM 114 N THR A 7 -4.234 -7.207 3.207 1.00 0.58 N ATOM 115 CA THR A 7 -5.610 -6.874 3.005 1.00 0.78 C ATOM 116 C THR A 7 -6.550 -6.894 4.162 1.00 0.94 C ATOM 117 O THR A 7 -6.094 -7.322 5.220 1.00 0.99 O ATOM 118 CB THR A 7 -6.189 -7.651 1.860 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.416 -9.003 2.231 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.324 -7.680 0.588 1.00 0.92 C ATOM 0 H THR A 7 -3.971 -8.124 2.845 1.00 0.58 H new ATOM 0 HA THR A 7 -5.534 -5.808 2.790 1.00 0.78 H new ATOM 0 HB THR A 7 -7.113 -7.121 1.628 1.00 0.90 H new ATOM 0 HG1 THR A 7 -6.938 -9.451 1.533 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.828 -8.265 -0.181 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.172 -6.662 0.228 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.359 -8.133 0.815 1.00 0.92 H new ATOM 128 N LEU A 8 -7.808 -6.448 3.989 1.00 1.17 N ATOM 129 CA LEU A 8 -8.843 -6.603 4.963 1.00 1.39 C ATOM 130 C LEU A 8 -9.118 -7.971 5.485 1.00 1.44 C ATOM 131 O LEU A 8 -9.086 -8.199 6.693 1.00 1.60 O ATOM 132 CB LEU A 8 -10.159 -5.985 4.459 1.00 1.66 C ATOM 133 CG LEU A 8 -10.099 -4.465 4.233 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.373 -3.907 3.575 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.817 -3.605 5.477 1.00 2.43 C ATOM 0 H LEU A 8 -8.114 -5.964 3.145 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.431 -6.071 5.821 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.439 -6.469 3.523 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.948 -6.203 5.179 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.239 -4.381 3.569 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.272 -2.830 3.441 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.519 -4.381 2.604 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.232 -4.114 4.213 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.798 -2.552 5.195 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.600 -3.768 6.217 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.853 -3.884 5.901 1.00 2.43 H new ATOM 147 N THR A 9 -9.358 -8.866 4.510 1.00 1.41 N ATOM 148 CA THR A 9 -9.695 -10.238 4.730 1.00 1.51 C ATOM 149 C THR A 9 -8.532 -10.993 5.277 1.00 1.37 C ATOM 150 O THR A 9 -8.679 -12.032 5.919 1.00 1.62 O ATOM 151 CB THR A 9 -10.184 -10.880 3.466 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.392 -10.664 2.308 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.577 -10.259 3.265 1.00 2.08 C ATOM 0 H THR A 9 -9.315 -8.621 3.521 1.00 1.41 H new ATOM 0 HA THR A 9 -10.500 -10.267 5.465 1.00 1.51 H new ATOM 0 HB THR A 9 -10.160 -11.964 3.580 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.797 -11.125 1.544 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.028 -10.664 2.359 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.208 -10.496 4.122 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.483 -9.177 3.172 1.00 2.08 H new ATOM 161 N GLY A 10 -7.291 -10.535 5.032 1.00 1.18 N ATOM 162 CA GLY A 10 -6.133 -11.070 5.679 1.00 1.22 C ATOM 163 C GLY A 10 -5.191 -11.721 4.726 1.00 0.99 C ATOM 164 O GLY A 10 -4.528 -12.711 5.033 1.00 1.31 O ATOM 0 H GLY A 10 -7.088 -9.782 4.375 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.614 -10.270 6.206 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.444 -11.797 6.429 1.00 1.22 H new ATOM 168 N LYS A 11 -4.990 -11.182 3.510 1.00 0.73 N ATOM 169 CA LYS A 11 -4.223 -11.788 2.466 1.00 0.60 C ATOM 170 C LYS A 11 -2.981 -10.980 2.312 1.00 0.51 C ATOM 171 O LYS A 11 -3.023 -9.751 2.263 1.00 0.63 O ATOM 172 CB LYS A 11 -4.950 -11.802 1.111 1.00 0.75 C ATOM 173 CG LYS A 11 -4.109 -12.339 -0.050 1.00 0.87 C ATOM 174 CD LYS A 11 -4.856 -12.518 -1.373 1.00 1.04 C ATOM 175 CE LYS A 11 -5.249 -11.220 -2.082 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.169 -11.425 -3.223 1.00 1.40 N ATOM 0 H LYS A 11 -5.382 -10.279 3.242 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.033 -12.825 2.742 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.851 -12.408 1.202 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.270 -10.788 0.873 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.272 -11.661 -0.214 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.688 -13.301 0.243 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.233 -13.106 -2.047 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.759 -13.098 -1.186 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.720 -10.550 -1.362 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.347 -10.722 -2.438 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.777 -10.588 -3.334 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.617 -11.569 -4.092 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.761 -12.262 -3.046 1.00 1.40 H new ATOM 190 N THR A 12 -1.814 -11.648 2.281 1.00 0.49 N ATOM 191 CA THR A 12 -0.510 -11.089 2.099 1.00 0.48 C ATOM 192 C THR A 12 -0.076 -10.994 0.676 1.00 0.52 C ATOM 193 O THR A 12 0.523 -11.926 0.144 1.00 0.72 O ATOM 194 CB THR A 12 0.513 -11.748 2.977 1.00 0.64 C ATOM 195 OG1 THR A 12 0.129 -11.996 4.321 1.00 0.77 O ATOM 196 CG2 THR A 12 1.849 -10.998 3.114 1.00 0.78 C ATOM 0 H THR A 12 -1.781 -12.661 2.392 1.00 0.49 H new ATOM 0 HA THR A 12 -0.593 -10.053 2.427 1.00 0.48 H new ATOM 0 HB THR A 12 0.617 -12.679 2.419 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.850 -12.470 4.785 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.516 -11.559 3.769 1.00 0.78 H new ATOM 0 HG22 THR A 12 2.309 -10.892 2.132 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.670 -10.010 3.539 1.00 0.78 H new ATOM 204 N ILE A 13 -0.057 -9.772 0.114 1.00 0.48 N ATOM 205 CA ILE A 13 0.314 -9.641 -1.260 1.00 0.55 C ATOM 206 C ILE A 13 1.695 -9.086 -1.196 1.00 0.51 C ATOM 207 O ILE A 13 1.968 -8.055 -0.582 1.00 0.56 O ATOM 208 CB ILE A 13 -0.554 -8.695 -2.036 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.050 -8.920 -1.757 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.267 -8.925 -3.529 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.920 -7.924 -2.522 1.00 1.55 C ATOM 0 H ILE A 13 -0.290 -8.902 0.592 1.00 0.48 H new ATOM 0 HA ILE A 13 0.221 -10.599 -1.772 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.325 -7.673 -1.735 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.325 -9.936 -2.040 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.240 -8.824 -0.688 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.883 -8.252 -4.126 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.786 -8.729 -3.731 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.501 -9.957 -3.790 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.970 -8.113 -2.300 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.663 -6.909 -2.220 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.749 -8.038 -3.592 1.00 1.55 H new ATOM 223 N THR A 14 2.637 -9.851 -1.776 1.00 0.55 N ATOM 224 CA THR A 14 4.017 -9.482 -1.838 1.00 0.54 C ATOM 225 C THR A 14 4.313 -8.627 -3.022 1.00 0.55 C ATOM 226 O THR A 14 3.905 -8.984 -4.126 1.00 0.72 O ATOM 227 CB THR A 14 5.032 -10.581 -1.943 1.00 0.67 C ATOM 228 OG1 THR A 14 4.862 -11.592 -0.962 1.00 1.08 O ATOM 229 CG2 THR A 14 6.476 -10.078 -1.775 1.00 1.03 C ATOM 0 H THR A 14 2.434 -10.750 -2.213 1.00 0.55 H new ATOM 0 HA THR A 14 4.123 -8.991 -0.871 1.00 0.54 H new ATOM 0 HB THR A 14 4.869 -10.980 -2.944 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.549 -12.281 -1.080 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.166 -10.917 -1.861 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.698 -9.345 -2.550 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.588 -9.615 -0.795 1.00 1.03 H new ATOM 237 N LEU A 15 5.041 -7.502 -2.904 1.00 0.50 N ATOM 238 CA LEU A 15 5.304 -6.574 -3.959 1.00 0.55 C ATOM 239 C LEU A 15 6.710 -6.086 -4.029 1.00 0.52 C ATOM 240 O LEU A 15 7.232 -5.835 -2.944 1.00 0.58 O ATOM 241 CB LEU A 15 4.485 -5.277 -3.847 1.00 0.69 C ATOM 242 CG LEU A 15 2.962 -5.501 -3.873 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.297 -4.124 -3.707 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.521 -6.144 -5.198 1.00 1.55 C ATOM 0 H LEU A 15 5.470 -7.225 -2.021 1.00 0.50 H new ATOM 0 HA LEU A 15 5.044 -7.171 -4.833 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.752 -4.768 -2.921 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.759 -4.613 -4.667 1.00 0.69 H new ATOM 0 HG LEU A 15 2.668 -6.178 -3.071 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.213 -4.239 -3.720 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.604 -3.684 -2.758 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.602 -3.471 -4.525 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.441 -6.291 -5.189 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.792 -5.491 -6.027 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.017 -7.107 -5.318 1.00 1.55 H new ATOM 256 N GLU A 16 7.341 -6.073 -5.217 1.00 0.59 N ATOM 257 CA GLU A 16 8.621 -5.564 -5.599 1.00 0.63 C ATOM 258 C GLU A 16 8.559 -4.108 -5.908 1.00 0.65 C ATOM 259 O GLU A 16 7.910 -3.606 -6.826 1.00 0.81 O ATOM 260 CB GLU A 16 9.218 -6.371 -6.763 1.00 0.76 C ATOM 261 CG GLU A 16 9.523 -7.840 -6.456 1.00 1.41 C ATOM 262 CD GLU A 16 10.302 -8.429 -7.624 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.096 -7.706 -8.282 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.171 -9.642 -7.937 1.00 1.92 O ATOM 0 H GLU A 16 6.877 -6.483 -6.027 1.00 0.59 H new ATOM 0 HA GLU A 16 9.291 -5.682 -4.747 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.526 -6.329 -7.604 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.140 -5.886 -7.084 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.102 -7.922 -5.536 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.597 -8.394 -6.301 1.00 1.41 H new ATOM 271 N VAL A 17 9.254 -3.329 -5.060 1.00 0.61 N ATOM 272 CA VAL A 17 9.336 -1.908 -5.208 1.00 0.63 C ATOM 273 C VAL A 17 10.737 -1.536 -4.863 1.00 0.65 C ATOM 274 O VAL A 17 11.547 -2.273 -4.301 1.00 0.76 O ATOM 275 CB VAL A 17 8.491 -1.122 -4.251 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.050 -1.279 -4.767 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.462 -1.599 -2.789 1.00 0.92 C ATOM 0 H VAL A 17 9.768 -3.692 -4.257 1.00 0.61 H new ATOM 0 HA VAL A 17 9.004 -1.680 -6.221 1.00 0.63 H new ATOM 0 HB VAL A 17 8.912 -0.117 -4.226 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.369 -0.730 -4.117 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.981 -0.884 -5.781 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.777 -2.334 -4.770 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.815 -0.944 -2.205 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.080 -2.619 -2.747 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.471 -1.572 -2.378 1.00 0.92 H new ATOM 287 N GLU A 18 11.121 -0.289 -5.187 1.00 0.68 N ATOM 288 CA GLU A 18 12.331 0.316 -4.722 1.00 0.74 C ATOM 289 C GLU A 18 12.060 1.567 -3.959 1.00 0.71 C ATOM 290 O GLU A 18 11.009 2.195 -4.082 1.00 0.74 O ATOM 291 CB GLU A 18 13.287 0.755 -5.844 1.00 0.88 C ATOM 292 CG GLU A 18 13.577 -0.346 -6.865 1.00 1.16 C ATOM 293 CD GLU A 18 14.665 -1.270 -6.336 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.579 -0.877 -5.562 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.586 -2.447 -6.777 1.00 2.35 O ATOM 0 H GLU A 18 10.571 0.319 -5.793 1.00 0.68 H new ATOM 0 HA GLU A 18 12.785 -0.468 -4.116 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.858 1.614 -6.360 1.00 0.88 H new ATOM 0 HB3 GLU A 18 14.227 1.085 -5.401 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.670 -0.916 -7.066 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.891 0.096 -7.810 1.00 1.16 H new ATOM 302 N PRO A 19 12.852 2.127 -3.094 1.00 0.74 N ATOM 303 CA PRO A 19 12.530 3.293 -2.323 1.00 0.74 C ATOM 304 C PRO A 19 12.198 4.525 -3.092 1.00 0.70 C ATOM 305 O PRO A 19 11.670 5.462 -2.496 1.00 0.74 O ATOM 306 CB PRO A 19 13.829 3.481 -1.544 1.00 0.86 C ATOM 307 CG PRO A 19 14.490 2.106 -1.355 1.00 0.95 C ATOM 308 CD PRO A 19 13.986 1.361 -2.601 1.00 0.82 C ATOM 0 HA PRO A 19 11.619 3.146 -1.743 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.499 4.152 -2.081 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.627 3.940 -0.576 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.578 2.172 -1.327 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.176 1.622 -0.430 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.768 1.291 -3.357 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.690 0.342 -2.353 1.00 0.82 H new ATOM 316 N SER A 20 12.524 4.614 -4.394 1.00 0.70 N ATOM 317 CA SER A 20 12.089 5.684 -5.236 1.00 0.74 C ATOM 318 C SER A 20 10.688 5.569 -5.731 1.00 0.71 C ATOM 319 O SER A 20 10.156 6.534 -6.277 1.00 0.80 O ATOM 320 CB SER A 20 13.074 5.880 -6.401 1.00 0.89 C ATOM 321 OG SER A 20 13.405 4.645 -7.018 1.00 1.45 O ATOM 0 H SER A 20 13.104 3.925 -4.873 1.00 0.70 H new ATOM 0 HA SER A 20 12.083 6.570 -4.601 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.636 6.551 -7.140 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.982 6.359 -6.034 1.00 0.89 H new ATOM 0 HG SER A 20 14.031 4.805 -7.755 1.00 1.45 H new ATOM 327 N ASP A 21 9.983 4.458 -5.459 1.00 0.70 N ATOM 328 CA ASP A 21 8.646 4.249 -5.922 1.00 0.73 C ATOM 329 C ASP A 21 7.696 5.044 -5.093 1.00 0.64 C ATOM 330 O ASP A 21 7.879 5.193 -3.885 1.00 0.66 O ATOM 331 CB ASP A 21 8.187 2.797 -6.131 1.00 0.87 C ATOM 332 CG ASP A 21 8.840 2.092 -7.312 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.735 2.505 -8.497 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.375 1.003 -6.973 1.00 1.50 O ATOM 0 H ASP A 21 10.350 3.685 -4.904 1.00 0.70 H new ATOM 0 HA ASP A 21 8.648 4.615 -6.949 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.396 2.229 -5.224 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.106 2.788 -6.271 1.00 0.87 H new ATOM 339 N THR A 22 6.650 5.601 -5.726 1.00 0.63 N ATOM 340 CA THR A 22 5.646 6.388 -5.079 1.00 0.58 C ATOM 341 C THR A 22 4.600 5.464 -4.556 1.00 0.53 C ATOM 342 O THR A 22 4.537 4.295 -4.933 1.00 0.58 O ATOM 343 CB THR A 22 5.045 7.448 -5.955 1.00 0.63 C ATOM 344 OG1 THR A 22 4.651 6.901 -7.204 1.00 0.70 O ATOM 345 CG2 THR A 22 6.028 8.604 -6.204 1.00 0.75 C ATOM 0 H THR A 22 6.497 5.500 -6.729 1.00 0.63 H new ATOM 0 HA THR A 22 6.121 6.938 -4.267 1.00 0.58 H new ATOM 0 HB THR A 22 4.172 7.837 -5.430 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.260 7.606 -7.761 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.557 9.351 -6.842 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.302 9.060 -5.253 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.923 8.221 -6.694 1.00 0.75 H new ATOM 353 N ILE A 23 3.791 5.947 -3.597 1.00 0.51 N ATOM 354 CA ILE A 23 2.692 5.217 -3.046 1.00 0.48 C ATOM 355 C ILE A 23 1.729 4.828 -4.114 1.00 0.48 C ATOM 356 O ILE A 23 1.237 3.702 -4.178 1.00 0.51 O ATOM 357 CB ILE A 23 1.976 5.977 -1.969 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.870 6.172 -0.732 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.652 5.303 -1.574 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.456 4.894 -0.135 1.00 0.73 C ATOM 0 H ILE A 23 3.905 6.876 -3.192 1.00 0.51 H new ATOM 0 HA ILE A 23 3.113 4.321 -2.590 1.00 0.48 H new ATOM 0 HB ILE A 23 1.740 6.958 -2.380 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.691 6.837 -1.000 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.289 6.679 0.038 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.166 5.886 -0.792 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.002 5.248 -2.444 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.852 4.297 -1.206 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.069 5.145 0.731 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.647 4.232 0.173 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.071 4.392 -0.882 1.00 0.73 H new ATOM 372 N GLU A 24 1.460 5.770 -5.035 1.00 0.50 N ATOM 373 CA GLU A 24 0.897 5.442 -6.309 1.00 0.53 C ATOM 374 C GLU A 24 1.333 4.194 -6.995 1.00 0.50 C ATOM 375 O GLU A 24 0.522 3.312 -7.278 1.00 0.55 O ATOM 376 CB GLU A 24 1.128 6.570 -7.329 1.00 0.64 C ATOM 377 CG GLU A 24 0.247 6.473 -8.576 1.00 0.95 C ATOM 378 CD GLU A 24 0.116 7.845 -9.222 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.217 8.377 -9.527 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.009 8.316 -9.538 1.00 1.56 O ATOM 0 H GLU A 24 1.634 6.766 -4.897 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.142 5.287 -6.019 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.947 7.528 -6.842 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.174 6.561 -7.635 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.680 5.767 -9.285 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.738 6.091 -8.308 1.00 0.95 H new ATOM 387 N ASN A 25 2.638 3.957 -7.216 1.00 0.51 N ATOM 388 CA ASN A 25 3.249 2.802 -7.798 1.00 0.52 C ATOM 389 C ASN A 25 2.896 1.534 -7.101 1.00 0.47 C ATOM 390 O ASN A 25 2.673 0.516 -7.757 1.00 0.53 O ATOM 391 CB ASN A 25 4.782 2.930 -7.838 1.00 0.64 C ATOM 392 CG ASN A 25 5.133 4.030 -8.830 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.286 4.699 -9.419 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.450 4.182 -9.134 1.00 1.57 N ATOM 0 H ASN A 25 3.339 4.652 -6.958 1.00 0.51 H new ATOM 0 HA ASN A 25 2.852 2.755 -8.812 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.171 3.170 -6.848 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.236 1.986 -8.139 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.734 4.851 -9.850 1.00 1.57 H new ATOM 0 HD22 ASN A 25 7.153 3.628 -8.646 1.00 1.57 H new ATOM 401 N VAL A 26 2.869 1.533 -5.757 1.00 0.45 N ATOM 402 CA VAL A 26 2.431 0.459 -4.920 1.00 0.44 C ATOM 403 C VAL A 26 0.997 0.128 -5.152 1.00 0.40 C ATOM 404 O VAL A 26 0.635 -1.024 -5.385 1.00 0.44 O ATOM 405 CB VAL A 26 2.674 0.750 -3.469 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.294 -0.502 -2.660 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.123 1.155 -3.152 1.00 0.62 C ATOM 0 H VAL A 26 3.176 2.342 -5.217 1.00 0.45 H new ATOM 0 HA VAL A 26 3.027 -0.412 -5.193 1.00 0.44 H new ATOM 0 HB VAL A 26 2.059 1.608 -3.198 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.462 -0.315 -1.599 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.242 -0.736 -2.825 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.908 -1.343 -2.982 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.221 1.349 -2.084 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.797 0.347 -3.437 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.379 2.056 -3.710 1.00 0.62 H new ATOM 417 N LYS A 27 0.050 1.084 -5.132 1.00 0.40 N ATOM 418 CA LYS A 27 -1.337 0.910 -5.432 1.00 0.41 C ATOM 419 C LYS A 27 -1.710 0.447 -6.798 1.00 0.38 C ATOM 420 O LYS A 27 -2.794 -0.094 -7.002 1.00 0.42 O ATOM 421 CB LYS A 27 -2.191 2.146 -5.100 1.00 0.51 C ATOM 422 CG LYS A 27 -2.106 2.745 -3.695 1.00 0.76 C ATOM 423 CD LYS A 27 -2.748 4.127 -3.834 1.00 0.82 C ATOM 424 CE LYS A 27 -3.021 4.940 -2.567 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.083 5.956 -2.736 1.00 1.11 N ATOM 0 H LYS A 27 0.272 2.049 -4.888 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.560 0.077 -4.766 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.927 2.930 -5.810 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.233 1.886 -5.286 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.637 2.131 -2.968 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.073 2.819 -3.356 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.106 4.726 -4.480 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.696 4.000 -4.356 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.304 4.261 -1.763 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.101 5.436 -2.257 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.372 6.315 -1.804 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.722 6.742 -3.313 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.903 5.526 -3.210 1.00 1.11 H new ATOM 439 N ALA A 28 -0.879 0.751 -7.813 1.00 0.39 N ATOM 440 CA ALA A 28 -1.050 0.359 -9.177 1.00 0.39 C ATOM 441 C ALA A 28 -0.839 -1.096 -9.419 1.00 0.36 C ATOM 442 O ALA A 28 -1.373 -1.738 -10.323 1.00 0.42 O ATOM 443 CB ALA A 28 -0.125 1.291 -9.979 1.00 0.51 C ATOM 0 H ALA A 28 -0.035 1.306 -7.670 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.084 0.475 -9.501 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.199 1.053 -11.040 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.424 2.327 -9.818 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.905 1.155 -9.648 1.00 0.51 H new ATOM 449 N LYS A 29 -0.007 -1.733 -8.576 1.00 0.39 N ATOM 450 CA LYS A 29 0.182 -3.145 -8.689 1.00 0.43 C ATOM 451 C LYS A 29 -0.963 -3.919 -8.134 1.00 0.44 C ATOM 452 O LYS A 29 -1.417 -4.933 -8.663 1.00 0.54 O ATOM 453 CB LYS A 29 1.502 -3.675 -8.104 1.00 0.54 C ATOM 454 CG LYS A 29 2.671 -2.776 -8.514 1.00 0.65 C ATOM 455 CD LYS A 29 4.052 -3.082 -7.933 1.00 1.08 C ATOM 456 CE LYS A 29 5.082 -2.032 -8.358 1.00 1.24 C ATOM 457 NZ LYS A 29 5.284 -1.940 -9.821 1.00 1.44 N ATOM 0 H LYS A 29 0.525 -1.282 -7.831 1.00 0.39 H new ATOM 0 HA LYS A 29 0.237 -3.305 -9.766 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.433 -3.718 -7.017 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.678 -4.692 -8.453 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.752 -2.808 -9.601 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.415 -1.752 -8.244 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.992 -3.115 -6.845 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.377 -4.068 -8.264 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.767 -1.058 -7.984 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.036 -2.262 -7.884 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.065 -1.283 -10.023 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.516 -2.881 -10.199 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.413 -1.591 -10.270 1.00 1.44 H new ATOM 471 N ILE A 30 -1.514 -3.367 -7.038 1.00 0.41 N ATOM 472 CA ILE A 30 -2.827 -3.740 -6.612 1.00 0.44 C ATOM 473 C ILE A 30 -3.910 -3.444 -7.592 1.00 0.45 C ATOM 474 O ILE A 30 -4.854 -4.229 -7.668 1.00 0.56 O ATOM 475 CB ILE A 30 -3.085 -3.063 -5.299 1.00 0.45 C ATOM 476 CG1 ILE A 30 -2.047 -3.557 -4.276 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.498 -3.346 -4.761 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.857 -2.558 -3.137 1.00 1.32 C ATOM 0 H ILE A 30 -1.056 -2.669 -6.452 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.850 -4.826 -6.517 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.004 -1.987 -5.455 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -2.365 -4.517 -3.869 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -1.093 -3.724 -4.777 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.634 -2.833 -3.809 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.238 -2.987 -5.476 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.624 -4.419 -4.617 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.117 -2.943 -2.435 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.513 -1.606 -3.542 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.805 -2.411 -2.620 1.00 1.32 H new ATOM 490 N GLN A 31 -3.799 -2.403 -8.437 1.00 0.41 N ATOM 491 CA GLN A 31 -4.820 -2.119 -9.397 1.00 0.48 C ATOM 492 C GLN A 31 -4.923 -3.139 -10.479 1.00 0.52 C ATOM 493 O GLN A 31 -6.021 -3.432 -10.948 1.00 0.66 O ATOM 494 CB GLN A 31 -4.650 -0.729 -10.034 1.00 0.52 C ATOM 495 CG GLN A 31 -5.631 -0.280 -11.119 1.00 0.70 C ATOM 496 CD GLN A 31 -5.204 1.046 -11.730 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.027 1.401 -11.730 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.174 1.908 -12.141 1.00 1.43 N ATOM 0 H GLN A 31 -3.007 -1.761 -8.456 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.746 -2.144 -8.823 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.690 0.007 -9.231 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.647 -0.683 -10.459 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.690 -1.040 -11.898 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.630 -0.183 -10.693 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.151 1.614 -12.141 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.924 2.848 -12.449 1.00 1.43 H new ATOM 507 N ASP A 32 -3.798 -3.751 -10.889 1.00 0.50 N ATOM 508 CA ASP A 32 -3.947 -4.921 -11.699 1.00 0.60 C ATOM 509 C ASP A 32 -4.297 -6.163 -10.956 1.00 0.65 C ATOM 510 O ASP A 32 -5.322 -6.750 -11.299 1.00 0.81 O ATOM 511 CB ASP A 32 -2.710 -5.265 -12.546 1.00 0.67 C ATOM 512 CG ASP A 32 -2.484 -4.243 -13.652 1.00 0.91 C ATOM 513 OD1 ASP A 32 -3.273 -4.235 -14.634 1.00 1.55 O ATOM 514 OD2 ASP A 32 -1.496 -3.461 -13.644 1.00 1.51 O ATOM 0 H ASP A 32 -2.843 -3.462 -10.678 1.00 0.50 H new ATOM 0 HA ASP A 32 -4.780 -4.624 -12.336 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.830 -5.308 -11.904 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -2.833 -6.255 -12.985 1.00 0.67 H new ATOM 519 N LYS A 33 -3.542 -6.570 -9.920 1.00 0.62 N ATOM 520 CA LYS A 33 -3.733 -7.798 -9.211 1.00 0.73 C ATOM 521 C LYS A 33 -5.053 -8.010 -8.555 1.00 0.69 C ATOM 522 O LYS A 33 -5.524 -9.141 -8.680 1.00 0.83 O ATOM 523 CB LYS A 33 -2.648 -7.933 -8.129 1.00 0.85 C ATOM 524 CG LYS A 33 -1.261 -8.098 -8.753 1.00 1.31 C ATOM 525 CD LYS A 33 -0.167 -8.115 -7.681 1.00 1.71 C ATOM 526 CE LYS A 33 1.224 -8.031 -8.312 1.00 2.26 C ATOM 527 NZ LYS A 33 1.599 -9.220 -9.109 1.00 2.62 N ATOM 0 H LYS A 33 -2.763 -6.018 -9.560 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.676 -8.555 -9.993 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.659 -7.052 -7.488 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.868 -8.791 -7.494 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.226 -9.024 -9.326 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.075 -7.283 -9.452 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.311 -7.278 -6.997 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.247 -9.027 -7.090 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.268 -7.150 -8.952 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.962 -7.889 -7.522 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.552 -9.087 -9.503 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.590 -10.063 -8.500 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.918 -9.346 -9.885 1.00 2.62 H new ATOM 541 N GLU A 34 -5.597 -6.983 -7.878 1.00 0.63 N ATOM 542 CA GLU A 34 -6.782 -7.144 -7.093 1.00 0.67 C ATOM 543 C GLU A 34 -7.940 -6.479 -7.753 1.00 0.69 C ATOM 544 O GLU A 34 -9.082 -6.918 -7.623 1.00 0.95 O ATOM 545 CB GLU A 34 -6.590 -6.466 -5.727 1.00 0.73 C ATOM 546 CG GLU A 34 -5.531 -7.122 -4.839 1.00 0.83 C ATOM 547 CD GLU A 34 -5.836 -8.603 -4.667 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.845 -8.949 -3.997 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.207 -9.482 -5.314 1.00 1.48 O ATOM 0 H GLU A 34 -5.215 -6.037 -7.874 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.970 -8.212 -6.983 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.316 -5.423 -5.888 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.543 -6.468 -5.197 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.544 -6.995 -5.283 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.508 -6.632 -3.866 1.00 0.83 H new ATOM 556 N GLY A 35 -7.709 -5.439 -8.574 1.00 0.63 N ATOM 557 CA GLY A 35 -8.709 -4.838 -9.400 1.00 0.68 C ATOM 558 C GLY A 35 -9.439 -3.751 -8.688 1.00 0.76 C ATOM 559 O GLY A 35 -10.667 -3.703 -8.730 1.00 1.12 O ATOM 0 H GLY A 35 -6.792 -5.001 -8.666 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.243 -4.434 -10.299 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.418 -5.600 -9.724 1.00 0.68 H new ATOM 563 N ILE A 36 -8.695 -2.829 -8.049 1.00 0.70 N ATOM 564 CA ILE A 36 -9.210 -1.740 -7.278 1.00 0.76 C ATOM 565 C ILE A 36 -8.587 -0.463 -7.728 1.00 0.71 C ATOM 566 O ILE A 36 -7.358 -0.425 -7.681 1.00 0.73 O ATOM 567 CB ILE A 36 -8.901 -2.002 -5.834 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.254 -3.415 -5.339 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.811 -1.014 -5.087 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.648 -3.770 -3.983 1.00 1.16 C ATOM 0 H ILE A 36 -7.675 -2.846 -8.073 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.288 -1.653 -7.411 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.828 -1.897 -5.672 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.338 -3.506 -5.275 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.916 -4.142 -6.077 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.663 -1.123 -4.013 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.564 0.005 -5.385 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.853 -1.222 -5.332 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.944 -4.782 -3.706 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.561 -3.714 -4.044 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.005 -3.068 -3.230 1.00 1.16 H new ATOM 582 N PRO A 37 -9.233 0.597 -8.113 1.00 0.75 N ATOM 583 CA PRO A 37 -8.573 1.811 -8.499 1.00 0.79 C ATOM 584 C PRO A 37 -7.865 2.500 -7.383 1.00 0.75 C ATOM 585 O PRO A 37 -8.262 2.342 -6.230 1.00 0.75 O ATOM 586 CB PRO A 37 -9.688 2.706 -9.035 1.00 0.95 C ATOM 587 CG PRO A 37 -10.756 1.716 -9.525 1.00 1.02 C ATOM 588 CD PRO A 37 -10.571 0.454 -8.669 1.00 0.85 C ATOM 0 HA PRO A 37 -7.792 1.590 -9.227 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.080 3.364 -8.259 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.333 3.344 -9.845 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.758 2.128 -9.404 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.628 1.494 -10.584 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.325 0.390 -7.884 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.659 -0.452 -9.269 1.00 0.85 H new ATOM 596 N PRO A 38 -6.793 3.187 -7.641 1.00 0.81 N ATOM 597 CA PRO A 38 -6.008 3.682 -6.547 1.00 0.85 C ATOM 598 C PRO A 38 -6.615 4.768 -5.727 1.00 0.89 C ATOM 599 O PRO A 38 -6.165 4.935 -4.595 1.00 0.99 O ATOM 600 CB PRO A 38 -4.714 4.197 -7.174 1.00 1.01 C ATOM 601 CG PRO A 38 -4.663 3.397 -8.486 1.00 1.25 C ATOM 602 CD PRO A 38 -6.138 3.440 -8.916 1.00 0.98 C ATOM 0 HA PRO A 38 -5.886 2.862 -5.839 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.745 5.272 -7.351 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.847 4.003 -6.542 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.005 3.857 -9.224 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.308 2.378 -8.334 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.418 4.404 -9.342 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.375 2.681 -9.662 1.00 0.98 H new ATOM 610 N ASP A 39 -7.695 5.441 -6.162 1.00 0.96 N ATOM 611 CA ASP A 39 -8.576 6.370 -5.525 1.00 1.11 C ATOM 612 C ASP A 39 -9.269 5.687 -4.397 1.00 1.00 C ATOM 613 O ASP A 39 -9.550 6.359 -3.406 1.00 1.14 O ATOM 614 CB ASP A 39 -9.485 6.994 -6.597 1.00 1.39 C ATOM 615 CG ASP A 39 -10.383 8.082 -6.025 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.938 9.217 -5.707 1.00 2.25 O ATOM 617 OD2 ASP A 39 -11.632 7.911 -6.039 1.00 2.23 O ATOM 0 H ASP A 39 -7.994 5.303 -7.127 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.051 7.208 -5.066 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -8.870 7.414 -7.393 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.101 6.216 -7.047 1.00 1.39 H new ATOM 622 N GLN A 40 -9.487 4.363 -4.503 1.00 0.87 N ATOM 623 CA GLN A 40 -10.178 3.715 -3.431 1.00 0.84 C ATOM 624 C GLN A 40 -9.313 3.165 -2.351 1.00 0.67 C ATOM 625 O GLN A 40 -9.665 3.098 -1.174 1.00 0.80 O ATOM 626 CB GLN A 40 -11.080 2.535 -3.829 1.00 0.95 C ATOM 627 CG GLN A 40 -12.188 2.169 -2.840 1.00 1.32 C ATOM 628 CD GLN A 40 -12.913 0.882 -3.201 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.654 0.242 -4.220 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.888 0.569 -2.306 1.00 2.02 N ATOM 0 H GLN A 40 -9.204 3.769 -5.283 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.769 4.561 -3.081 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.540 2.765 -4.790 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.451 1.658 -3.979 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.758 2.069 -1.843 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.910 2.985 -2.795 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.035 1.157 -1.485 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.472 -0.254 -2.455 1.00 2.02 H new ATOM 639 N GLN A 41 -8.096 2.744 -2.743 1.00 0.56 N ATOM 640 CA GLN A 41 -7.179 2.095 -1.860 1.00 0.51 C ATOM 641 C GLN A 41 -6.488 3.149 -1.063 1.00 0.49 C ATOM 642 O GLN A 41 -5.963 4.123 -1.598 1.00 0.65 O ATOM 643 CB GLN A 41 -6.016 1.476 -2.652 1.00 0.67 C ATOM 644 CG GLN A 41 -6.460 0.313 -3.543 1.00 0.69 C ATOM 645 CD GLN A 41 -5.201 -0.133 -4.273 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.197 -0.375 -3.604 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.321 -0.250 -5.622 1.00 0.61 N ATOM 0 H GLN A 41 -7.743 2.857 -3.693 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.739 1.361 -1.280 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.553 2.245 -3.270 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.254 1.125 -1.956 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.880 -0.499 -2.950 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.232 0.627 -4.245 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.205 -0.022 -6.077 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.527 -0.566 -6.179 1.00 0.61 H new ATOM 656 N ARG A 42 -6.342 3.006 0.266 1.00 0.47 N ATOM 657 CA ARG A 42 -5.510 3.830 1.086 1.00 0.55 C ATOM 658 C ARG A 42 -4.532 2.911 1.732 1.00 0.46 C ATOM 659 O ARG A 42 -4.883 1.854 2.254 1.00 0.52 O ATOM 660 CB ARG A 42 -6.318 4.679 2.082 1.00 0.73 C ATOM 661 CG ARG A 42 -7.502 5.419 1.456 1.00 1.04 C ATOM 662 CD ARG A 42 -8.354 6.120 2.516 1.00 1.28 C ATOM 663 NE ARG A 42 -9.169 7.207 1.904 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.321 7.722 2.425 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.848 7.342 3.625 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.703 8.911 1.872 1.00 2.78 N ATOM 0 H ARG A 42 -6.828 2.281 0.794 1.00 0.47 H new ATOM 0 HA ARG A 42 -4.984 4.579 0.494 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.687 4.032 2.878 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.652 5.407 2.546 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.135 6.154 0.740 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.120 4.714 0.900 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.010 5.396 3.000 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.710 6.535 3.291 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.839 7.599 1.022 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.376 6.634 4.188 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.714 7.766 3.959 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.139 9.335 1.135 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.552 9.375 2.196 1.00 2.78 H new ATOM 680 N LEU A 43 -3.232 3.255 1.736 1.00 0.46 N ATOM 681 CA LEU A 43 -2.207 2.425 2.290 1.00 0.42 C ATOM 682 C LEU A 43 -1.950 2.957 3.658 1.00 0.43 C ATOM 683 O LEU A 43 -1.729 4.161 3.771 1.00 0.55 O ATOM 684 CB LEU A 43 -0.942 2.293 1.426 1.00 0.55 C ATOM 685 CG LEU A 43 -1.283 1.511 0.147 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.089 1.532 -0.822 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.630 0.056 0.504 1.00 1.12 C ATOM 0 H LEU A 43 -2.885 4.131 1.345 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.546 1.390 2.328 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.557 3.280 1.171 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.159 1.779 1.983 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.140 1.981 -0.335 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.343 0.975 -1.724 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.147 2.563 -1.086 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.776 1.073 -0.343 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.871 -0.494 -0.406 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.777 -0.411 0.996 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.489 0.041 1.175 1.00 1.12 H new ATOM 699 N ILE A 44 -1.992 2.180 4.754 1.00 0.42 N ATOM 700 CA ILE A 44 -1.793 2.596 6.109 1.00 0.46 C ATOM 701 C ILE A 44 -0.493 1.982 6.504 1.00 0.42 C ATOM 702 O ILE A 44 -0.270 0.817 6.182 1.00 0.53 O ATOM 703 CB ILE A 44 -2.838 2.005 7.008 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.250 2.260 6.455 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.668 2.583 8.423 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.702 3.719 6.457 1.00 1.27 C ATOM 0 H ILE A 44 -2.180 1.180 4.687 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.829 3.682 6.191 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.710 0.924 7.053 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.294 1.885 5.432 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.961 1.676 7.039 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.424 2.158 9.083 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.676 2.335 8.801 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.783 3.666 8.390 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.710 3.788 6.048 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.698 4.100 7.478 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.021 4.312 5.846 1.00 1.27 H new ATOM 718 N PHE A 45 0.342 2.743 7.233 1.00 0.42 N ATOM 719 CA PHE A 45 1.446 2.207 7.968 1.00 0.46 C ATOM 720 C PHE A 45 1.558 3.021 9.211 1.00 0.68 C ATOM 721 O PHE A 45 1.466 4.247 9.164 1.00 1.50 O ATOM 722 CB PHE A 45 2.742 2.151 7.141 1.00 0.56 C ATOM 723 CG PHE A 45 3.818 1.499 7.940 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.816 0.127 8.032 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.833 2.238 8.503 1.00 1.19 C ATOM 726 CE1 PHE A 45 4.789 -0.485 8.787 1.00 1.20 C ATOM 727 CE2 PHE A 45 5.851 1.609 9.178 1.00 1.33 C ATOM 728 CZ PHE A 45 5.770 0.255 9.405 1.00 1.02 C ATOM 0 H PHE A 45 0.248 3.755 7.314 1.00 0.42 H new ATOM 0 HA PHE A 45 1.274 1.162 8.225 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.573 1.595 6.219 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.047 3.158 6.855 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.065 -0.458 7.522 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.829 3.314 8.414 1.00 1.19 H new ATOM 0 HE1 PHE A 45 4.783 -1.559 8.896 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.705 2.171 9.526 1.00 1.33 H new ATOM 0 HZ PHE A 45 6.475 -0.226 10.067 1.00 1.02 H new ATOM 738 N ALA A 46 1.640 2.320 10.355 1.00 0.81 N ATOM 739 CA ALA A 46 1.799 2.877 11.664 1.00 0.96 C ATOM 740 C ALA A 46 0.768 3.796 12.222 1.00 0.97 C ATOM 741 O ALA A 46 1.014 4.657 13.065 1.00 1.21 O ATOM 742 CB ALA A 46 3.141 3.625 11.640 1.00 1.20 C ATOM 0 H ALA A 46 1.592 1.301 10.367 1.00 0.81 H new ATOM 0 HA ALA A 46 1.715 2.019 12.331 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.324 4.076 12.615 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.944 2.925 11.408 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.109 4.405 10.880 1.00 1.20 H new ATOM 748 N GLY A 47 -0.478 3.679 11.730 1.00 0.99 N ATOM 749 CA GLY A 47 -1.563 4.500 12.172 1.00 1.10 C ATOM 750 C GLY A 47 -1.719 5.631 11.214 1.00 1.03 C ATOM 751 O GLY A 47 -2.796 6.223 11.258 1.00 1.30 O ATOM 0 H GLY A 47 -0.737 3.002 11.012 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -2.483 3.917 12.224 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -1.368 4.878 13.176 1.00 1.10 H new ATOM 755 N LYS A 48 -0.776 6.038 10.345 1.00 0.98 N ATOM 756 CA LYS A 48 -1.013 7.098 9.414 1.00 1.05 C ATOM 757 C LYS A 48 -1.303 6.561 8.055 1.00 0.84 C ATOM 758 O LYS A 48 -1.012 5.401 7.765 1.00 0.81 O ATOM 759 CB LYS A 48 0.248 7.978 9.384 1.00 1.42 C ATOM 760 CG LYS A 48 1.552 7.271 9.007 1.00 1.61 C ATOM 761 CD LYS A 48 2.707 8.247 9.236 1.00 1.87 C ATOM 762 CE LYS A 48 3.994 7.619 8.695 1.00 2.22 C ATOM 763 NZ LYS A 48 5.155 8.300 9.310 1.00 2.55 N ATOM 0 H LYS A 48 0.157 5.630 10.287 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.882 7.679 9.723 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.082 8.792 8.678 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.375 8.430 10.368 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.687 6.374 9.611 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.524 6.952 7.965 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.508 9.193 8.733 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.811 8.467 10.299 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.018 6.553 8.923 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.033 7.714 7.610 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.035 7.880 8.949 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.130 9.312 9.071 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.116 8.187 10.343 1.00 2.55 H new ATOM 777 N GLN A 49 -1.998 7.378 7.244 1.00 0.84 N ATOM 778 CA GLN A 49 -2.250 7.019 5.883 1.00 0.80 C ATOM 779 C GLN A 49 -1.218 7.678 5.036 1.00 0.72 C ATOM 780 O GLN A 49 -0.720 8.786 5.237 1.00 0.83 O ATOM 781 CB GLN A 49 -3.677 7.567 5.706 1.00 1.03 C ATOM 782 CG GLN A 49 -4.286 7.513 4.304 1.00 1.67 C ATOM 783 CD GLN A 49 -5.674 8.125 4.185 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.529 7.698 4.961 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.935 9.038 3.211 1.00 2.48 N ATOM 0 H GLN A 49 -2.383 8.279 7.527 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.192 5.964 5.614 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.334 7.017 6.379 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.681 8.606 6.035 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.618 8.027 3.613 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.335 6.472 3.985 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.186 9.356 2.596 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.880 9.405 3.096 1.00 2.48 H new ATOM 794 N LEU A 50 -0.788 6.990 3.964 1.00 0.69 N ATOM 795 CA LEU A 50 0.217 7.470 3.066 1.00 0.66 C ATOM 796 C LEU A 50 -0.439 8.190 1.939 1.00 0.72 C ATOM 797 O LEU A 50 -1.607 8.008 1.601 1.00 0.90 O ATOM 798 CB LEU A 50 1.021 6.224 2.657 1.00 0.65 C ATOM 799 CG LEU A 50 1.456 5.306 3.812 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.144 4.057 3.236 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.370 5.904 4.895 1.00 0.74 C ATOM 0 H LEU A 50 -1.151 6.070 3.713 1.00 0.69 H new ATOM 0 HA LEU A 50 0.900 8.199 3.501 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.422 5.640 1.958 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.912 6.549 2.119 1.00 0.65 H new ATOM 0 HG LEU A 50 0.522 5.092 4.331 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.454 3.404 4.052 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.448 3.524 2.589 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.019 4.357 2.659 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.594 5.143 5.643 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.298 6.248 4.438 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.867 6.745 5.372 1.00 0.74 H new ATOM 813 N GLU A 51 0.232 9.219 1.390 1.00 0.70 N ATOM 814 CA GLU A 51 -0.125 10.098 0.321 1.00 0.76 C ATOM 815 C GLU A 51 0.372 9.629 -1.003 1.00 0.77 C ATOM 816 O GLU A 51 1.457 9.052 -1.046 1.00 1.23 O ATOM 817 CB GLU A 51 0.293 11.553 0.595 1.00 0.88 C ATOM 818 CG GLU A 51 -0.178 12.219 1.889 1.00 1.35 C ATOM 819 CD GLU A 51 0.431 13.612 1.945 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.655 13.877 1.807 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.427 14.535 1.932 1.00 1.89 O ATOM 0 H GLU A 51 1.154 9.463 1.752 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.214 10.078 0.273 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.382 11.593 0.580 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.060 12.161 -0.238 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.266 12.277 1.914 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.130 11.632 2.754 1.00 1.35 H new ATOM 828 N ASP A 52 -0.292 9.781 -2.163 1.00 0.66 N ATOM 829 CA ASP A 52 -0.040 9.173 -3.433 1.00 0.65 C ATOM 830 C ASP A 52 1.262 9.521 -4.068 1.00 0.60 C ATOM 831 O ASP A 52 2.034 8.593 -4.312 1.00 0.62 O ATOM 832 CB ASP A 52 -1.099 9.562 -4.478 1.00 0.81 C ATOM 833 CG ASP A 52 -2.478 9.263 -3.909 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.773 8.090 -3.555 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.322 10.198 -3.893 1.00 1.44 O ATOM 0 H ASP A 52 -1.099 10.403 -2.212 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.051 8.113 -3.180 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.014 10.620 -4.727 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.942 9.004 -5.401 1.00 0.81 H new ATOM 840 N GLY A 53 1.556 10.820 -4.253 1.00 0.68 N ATOM 841 CA GLY A 53 2.823 11.293 -4.716 1.00 0.73 C ATOM 842 C GLY A 53 3.834 11.563 -3.655 1.00 0.72 C ATOM 843 O GLY A 53 4.585 12.537 -3.670 1.00 0.97 O ATOM 0 H GLY A 53 0.887 11.568 -4.074 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.235 10.558 -5.407 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.664 12.210 -5.283 1.00 0.73 H new ATOM 847 N ARG A 54 3.934 10.668 -2.655 1.00 0.64 N ATOM 848 CA ARG A 54 4.995 10.549 -1.704 1.00 0.63 C ATOM 849 C ARG A 54 5.694 9.279 -2.053 1.00 0.59 C ATOM 850 O ARG A 54 5.075 8.414 -2.672 1.00 0.62 O ATOM 851 CB ARG A 54 4.568 10.582 -0.227 1.00 0.69 C ATOM 852 CG ARG A 54 4.425 11.985 0.366 1.00 0.82 C ATOM 853 CD ARG A 54 5.111 12.217 1.714 1.00 1.18 C ATOM 854 NE ARG A 54 4.500 13.460 2.264 1.00 1.50 N ATOM 855 CZ ARG A 54 5.233 14.505 2.744 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.574 14.517 2.996 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.616 15.707 2.942 1.00 2.49 N ATOM 0 H ARG A 54 3.208 9.968 -2.501 1.00 0.64 H new ATOM 0 HA ARG A 54 5.641 11.424 -1.776 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.616 10.061 -0.126 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.299 10.027 0.361 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.824 12.703 -0.351 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.363 12.204 0.479 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.953 11.372 2.385 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.188 12.330 1.592 1.00 1.18 H new ATOM 0 HE ARG A 54 3.483 13.533 2.282 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.133 13.681 2.824 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.018 15.362 3.356 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.623 15.812 2.732 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.148 16.500 3.300 1.00 2.49 H new ATOM 871 N THR A 55 6.996 9.147 -1.745 1.00 0.63 N ATOM 872 CA THR A 55 7.837 8.027 -2.035 1.00 0.61 C ATOM 873 C THR A 55 8.015 7.240 -0.782 1.00 0.59 C ATOM 874 O THR A 55 7.926 7.716 0.349 1.00 0.64 O ATOM 875 CB THR A 55 9.217 8.455 -2.436 1.00 0.68 C ATOM 876 OG1 THR A 55 9.705 9.586 -1.727 1.00 0.75 O ATOM 877 CG2 THR A 55 9.114 8.822 -3.926 1.00 0.76 C ATOM 0 H THR A 55 7.501 9.884 -1.253 1.00 0.63 H new ATOM 0 HA THR A 55 7.367 7.465 -2.842 1.00 0.61 H new ATOM 0 HB THR A 55 9.913 7.645 -2.217 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.619 9.410 -1.419 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.089 9.146 -4.289 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.786 7.951 -4.493 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.393 9.630 -4.053 1.00 0.76 H new ATOM 885 N LEU A 56 8.387 5.958 -0.948 1.00 0.58 N ATOM 886 CA LEU A 56 8.707 4.988 0.052 1.00 0.59 C ATOM 887 C LEU A 56 9.942 5.431 0.758 1.00 0.64 C ATOM 888 O LEU A 56 10.033 5.118 1.944 1.00 0.70 O ATOM 889 CB LEU A 56 8.879 3.641 -0.669 1.00 0.60 C ATOM 890 CG LEU A 56 7.544 3.076 -1.181 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.859 1.932 -2.159 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.786 2.565 0.056 1.00 1.03 C ATOM 0 H LEU A 56 8.472 5.562 -1.884 1.00 0.58 H new ATOM 0 HA LEU A 56 7.928 4.880 0.807 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.563 3.766 -1.508 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.337 2.923 0.012 1.00 0.60 H new ATOM 0 HG LEU A 56 6.938 3.816 -1.704 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.928 1.511 -2.539 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.449 2.316 -2.991 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.423 1.156 -1.642 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.826 2.151 -0.251 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.374 1.791 0.549 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.620 3.391 0.748 1.00 1.03 H new ATOM 904 N SER A 57 10.876 6.190 0.158 1.00 0.68 N ATOM 905 CA SER A 57 12.019 6.817 0.745 1.00 0.75 C ATOM 906 C SER A 57 11.723 7.876 1.750 1.00 0.76 C ATOM 907 O SER A 57 12.357 7.873 2.804 1.00 0.84 O ATOM 908 CB SER A 57 12.972 7.385 -0.321 1.00 0.84 C ATOM 909 OG SER A 57 12.219 8.155 -1.247 1.00 1.19 O ATOM 0 H SER A 57 10.822 6.383 -0.842 1.00 0.68 H new ATOM 0 HA SER A 57 12.499 6.003 1.289 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.738 8.003 0.148 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.488 6.575 -0.836 1.00 0.84 H new ATOM 0 HG SER A 57 12.818 8.523 -1.930 1.00 1.19 H new ATOM 915 N ASP A 58 10.713 8.721 1.477 1.00 0.75 N ATOM 916 CA ASP A 58 10.338 9.711 2.439 1.00 0.78 C ATOM 917 C ASP A 58 9.788 9.135 3.697 1.00 0.77 C ATOM 918 O ASP A 58 10.097 9.638 4.777 1.00 0.86 O ATOM 919 CB ASP A 58 9.468 10.835 1.851 1.00 0.83 C ATOM 920 CG ASP A 58 9.111 11.857 2.921 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.069 12.323 3.593 1.00 1.86 O ATOM 922 OD2 ASP A 58 7.945 12.309 3.079 1.00 1.90 O ATOM 0 H ASP A 58 10.168 8.722 0.615 1.00 0.75 H new ATOM 0 HA ASP A 58 11.271 10.194 2.730 1.00 0.78 H new ATOM 0 HB2 ASP A 58 10.001 11.325 1.036 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.557 10.412 1.427 1.00 0.83 H new ATOM 927 N TYR A 59 9.045 8.017 3.615 1.00 0.72 N ATOM 928 CA TYR A 59 8.491 7.402 4.781 1.00 0.73 C ATOM 929 C TYR A 59 9.396 6.458 5.495 1.00 0.76 C ATOM 930 O TYR A 59 9.086 5.903 6.548 1.00 0.89 O ATOM 931 CB TYR A 59 7.168 6.713 4.407 1.00 0.73 C ATOM 932 CG TYR A 59 6.014 7.618 4.144 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.425 8.336 5.159 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.499 7.608 2.870 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.374 9.172 4.869 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.419 8.416 2.605 1.00 0.70 C ATOM 937 CZ TYR A 59 3.828 9.149 3.607 1.00 0.74 C ATOM 938 OH TYR A 59 2.652 9.889 3.354 1.00 0.86 O ATOM 0 H TYR A 59 8.828 7.539 2.741 1.00 0.72 H new ATOM 0 HA TYR A 59 8.325 8.207 5.497 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.337 6.104 3.519 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.895 6.032 5.213 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.785 8.243 6.173 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.930 6.984 2.101 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.982 9.839 5.623 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.031 8.476 1.599 1.00 0.70 H new ATOM 0 HH TYR A 59 2.777 10.438 2.552 1.00 0.86 H new ATOM 948 N ASN A 60 10.609 6.429 4.912 1.00 0.74 N ATOM 949 CA ASN A 60 11.601 5.499 5.356 1.00 0.79 C ATOM 950 C ASN A 60 11.250 4.051 5.353 1.00 0.75 C ATOM 951 O ASN A 60 11.613 3.243 6.206 1.00 0.86 O ATOM 952 CB ASN A 60 12.225 5.785 6.732 1.00 0.95 C ATOM 953 CG ASN A 60 12.959 7.117 6.794 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.696 7.970 7.641 1.00 1.84 O ATOM 955 ND2 ASN A 60 14.027 7.184 5.955 1.00 1.83 N ATOM 0 H ASN A 60 10.899 7.038 4.147 1.00 0.74 H new ATOM 0 HA ASN A 60 12.319 5.685 4.557 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.440 5.775 7.488 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.920 4.983 6.982 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.667 7.977 6.006 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.188 6.442 5.274 1.00 1.83 H new ATOM 962 N ILE A 61 10.409 3.566 4.422 1.00 0.67 N ATOM 963 CA ILE A 61 10.033 2.197 4.249 1.00 0.65 C ATOM 964 C ILE A 61 11.071 1.286 3.689 1.00 0.66 C ATOM 965 O ILE A 61 11.690 1.668 2.698 1.00 0.75 O ATOM 966 CB ILE A 61 8.751 2.155 3.471 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.569 2.920 4.088 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.346 0.686 3.253 1.00 0.72 C ATOM 969 CD1 ILE A 61 7.196 2.572 5.528 1.00 0.82 C ATOM 0 H ILE A 61 9.959 4.177 3.740 1.00 0.67 H new ATOM 0 HA ILE A 61 9.897 1.786 5.249 1.00 0.65 H new ATOM 0 HB ILE A 61 8.964 2.671 2.535 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.795 3.985 4.044 1.00 0.70 H new ATOM 0 HG13 ILE A 61 6.693 2.754 3.461 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.415 0.645 2.688 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.130 0.171 2.698 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.206 0.200 4.219 1.00 0.72 H new ATOM 0 HD11 ILE A 61 6.349 3.181 5.842 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.927 1.517 5.590 1.00 0.82 H new ATOM 0 HD13 ILE A 61 8.046 2.768 6.182 1.00 0.82 H new ATOM 981 N GLN A 62 11.333 0.122 4.312 1.00 0.67 N ATOM 982 CA GLN A 62 12.425 -0.772 4.088 1.00 0.70 C ATOM 983 C GLN A 62 11.844 -2.064 3.624 1.00 0.62 C ATOM 984 O GLN A 62 10.617 -2.154 3.622 1.00 0.64 O ATOM 985 CB GLN A 62 13.212 -0.888 5.405 1.00 0.85 C ATOM 986 CG GLN A 62 12.416 -1.159 6.684 1.00 1.27 C ATOM 987 CD GLN A 62 13.360 -1.173 7.878 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.426 -0.561 7.816 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.011 -1.860 8.999 1.00 2.16 N ATOM 0 H GLN A 62 10.715 -0.224 5.046 1.00 0.67 H new ATOM 0 HA GLN A 62 13.124 -0.428 3.325 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.945 -1.687 5.289 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.770 0.038 5.546 1.00 0.85 H new ATOM 0 HG2 GLN A 62 11.653 -0.392 6.819 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.897 -2.114 6.606 1.00 1.27 H new ATOM 0 HE21 GLN A 62 12.124 -2.362 9.034 1.00 2.16 H new ATOM 0 HE22 GLN A 62 13.637 -1.873 9.805 1.00 2.16 H new ATOM 998 N LYS A 63 12.676 -3.048 3.241 1.00 0.64 N ATOM 999 CA LYS A 63 12.165 -4.348 2.936 1.00 0.62 C ATOM 1000 C LYS A 63 11.341 -4.970 4.010 1.00 0.59 C ATOM 1001 O LYS A 63 11.509 -4.730 5.204 1.00 0.66 O ATOM 1002 CB LYS A 63 13.374 -5.227 2.569 1.00 0.74 C ATOM 1003 CG LYS A 63 14.285 -5.555 3.755 1.00 0.89 C ATOM 1004 CD LYS A 63 15.234 -6.737 3.555 1.00 1.11 C ATOM 1005 CE LYS A 63 16.541 -6.294 2.895 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.432 -7.461 2.703 1.00 2.12 N ATOM 0 H LYS A 63 13.686 -2.948 3.143 1.00 0.64 H new ATOM 0 HA LYS A 63 11.463 -4.254 2.108 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.014 -6.158 2.131 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.960 -4.720 1.802 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.879 -4.671 3.989 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.660 -5.758 4.625 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.449 -7.201 4.518 1.00 1.11 H new ATOM 0 HD3 LYS A 63 14.751 -7.494 2.938 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.332 -5.824 1.934 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.036 -5.546 3.515 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.318 -7.151 2.254 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.644 -7.892 3.626 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.961 -8.161 2.094 1.00 2.12 H new ATOM 1020 N GLU A 64 10.403 -5.862 3.645 1.00 0.57 N ATOM 1021 CA GLU A 64 9.638 -6.668 4.546 1.00 0.58 C ATOM 1022 C GLU A 64 8.578 -5.945 5.303 1.00 0.56 C ATOM 1023 O GLU A 64 7.999 -6.367 6.303 1.00 0.70 O ATOM 1024 CB GLU A 64 10.397 -7.660 5.443 1.00 0.72 C ATOM 1025 CG GLU A 64 11.505 -8.547 4.871 1.00 0.96 C ATOM 1026 CD GLU A 64 12.030 -9.447 5.980 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.109 -9.037 7.168 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.483 -10.594 5.725 1.00 1.69 O ATOM 0 H GLU A 64 10.165 -6.030 2.667 1.00 0.57 H new ATOM 0 HA GLU A 64 9.138 -7.305 3.817 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.837 -7.083 6.257 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.654 -8.323 5.887 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.121 -9.148 4.047 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.311 -7.933 4.469 1.00 0.96 H new ATOM 1035 N SER A 65 8.288 -4.720 4.830 1.00 0.51 N ATOM 1036 CA SER A 65 7.371 -3.855 5.503 1.00 0.51 C ATOM 1037 C SER A 65 5.922 -4.144 5.303 1.00 0.43 C ATOM 1038 O SER A 65 5.492 -4.241 4.154 1.00 0.50 O ATOM 1039 CB SER A 65 7.617 -2.340 5.400 1.00 0.65 C ATOM 1040 OG SER A 65 8.927 -2.020 5.845 1.00 1.04 O ATOM 0 H SER A 65 8.690 -4.328 3.979 1.00 0.51 H new ATOM 0 HA SER A 65 7.629 -4.137 6.524 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.487 -2.013 4.368 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.881 -1.804 6.000 1.00 0.65 H new ATOM 0 HG SER A 65 9.548 -2.059 5.088 1.00 1.04 H new ATOM 1046 N THR A 66 5.124 -4.350 6.364 1.00 0.45 N ATOM 1047 CA THR A 66 3.724 -4.584 6.186 1.00 0.45 C ATOM 1048 C THR A 66 2.811 -3.406 6.170 1.00 0.43 C ATOM 1049 O THR A 66 2.483 -2.826 7.204 1.00 0.58 O ATOM 1050 CB THR A 66 3.093 -5.537 7.157 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.868 -6.724 7.226 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.739 -5.908 6.529 1.00 0.78 C ATOM 0 H THR A 66 5.441 -4.355 7.333 1.00 0.45 H new ATOM 0 HA THR A 66 3.796 -5.004 5.183 1.00 0.45 H new ATOM 0 HB THR A 66 3.008 -5.100 8.152 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.457 -7.346 7.862 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.214 -6.605 7.182 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.138 -5.008 6.402 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.904 -6.374 5.558 1.00 0.78 H new ATOM 1060 N LEU A 67 2.434 -2.992 4.948 1.00 0.38 N ATOM 1061 CA LEU A 67 1.503 -1.920 4.779 1.00 0.38 C ATOM 1062 C LEU A 67 0.168 -2.579 4.839 1.00 0.37 C ATOM 1063 O LEU A 67 -0.091 -3.675 4.344 1.00 0.50 O ATOM 1064 CB LEU A 67 1.700 -1.222 3.423 1.00 0.46 C ATOM 1065 CG LEU A 67 3.097 -0.759 2.973 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.992 -0.256 1.524 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.719 0.253 3.949 1.00 1.31 C ATOM 0 H LEU A 67 2.774 -3.399 4.077 1.00 0.38 H new ATOM 0 HA LEU A 67 1.625 -1.146 5.537 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.324 -1.899 2.656 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.054 -0.344 3.417 1.00 0.46 H new ATOM 0 HG LEU A 67 3.795 -1.596 2.992 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.972 0.078 1.183 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.641 -1.064 0.883 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.289 0.576 1.478 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.704 0.549 3.588 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.079 1.132 4.019 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.816 -0.204 4.934 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.809 -1.952 5.518 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.170 -2.388 5.584 1.00 0.37 C ATOM 1081 C HIS A 68 -2.966 -1.633 4.577 1.00 0.35 C ATOM 1082 O HIS A 68 -2.783 -0.434 4.367 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.829 -2.096 6.943 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.333 -2.986 8.043 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.065 -2.944 8.588 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.921 -4.034 8.682 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.037 -3.825 9.624 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -2.108 -4.596 9.644 1.00 1.51 N ATOM 0 H HIS A 68 -0.641 -1.097 6.048 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.158 -3.464 5.411 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.643 -1.057 7.214 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.909 -2.213 6.849 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.917 -4.387 8.460 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.234 -3.886 10.344 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -2.290 -5.411 10.230 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.905 -2.364 3.949 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.780 -1.837 2.948 1.00 0.38 C ATOM 1098 C LEU A 69 -6.165 -1.669 3.471 1.00 0.41 C ATOM 1099 O LEU A 69 -6.794 -2.551 4.054 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.772 -2.759 1.718 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.616 -2.398 0.484 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.092 -1.106 -0.166 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.607 -3.542 -0.545 1.00 1.14 C ATOM 0 H LEU A 69 -4.060 -3.353 4.144 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.419 -0.850 2.659 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.737 -2.851 1.388 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.090 -3.747 2.051 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.642 -2.239 0.815 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.700 -0.865 -1.038 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.148 -0.289 0.553 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.056 -1.248 -0.474 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.211 -3.260 -1.407 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.583 -3.734 -0.866 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.020 -4.443 -0.091 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.696 -0.441 3.339 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.052 -0.146 3.689 1.00 0.56 C ATOM 1117 C VAL A 70 -8.693 0.294 2.418 1.00 0.55 C ATOM 1118 O VAL A 70 -7.993 0.584 1.449 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.324 0.787 4.830 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.878 0.126 6.146 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.531 2.084 4.591 1.00 0.97 C ATOM 0 H VAL A 70 -6.176 0.361 2.983 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.480 -1.052 4.117 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.388 1.013 4.896 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.075 0.802 6.978 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -8.432 -0.801 6.293 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.811 -0.092 6.100 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.714 2.779 5.411 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.466 1.855 4.540 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -7.850 2.538 3.653 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.035 0.333 2.332 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.766 0.671 1.150 1.00 0.84 C ATOM 1133 C LEU A 71 -11.674 1.741 1.649 1.00 0.85 C ATOM 1134 O LEU A 71 -12.427 1.517 2.595 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.438 -0.563 0.526 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.521 -1.615 -0.120 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.404 -2.668 -0.812 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.557 -1.020 -1.159 1.00 2.78 C ATOM 0 H LEU A 71 -10.639 0.118 3.125 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.170 1.028 0.310 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.023 -1.057 1.302 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.141 -0.217 -0.232 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.911 -2.049 0.672 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.772 -3.424 -1.277 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.052 -3.141 -0.074 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.014 -2.186 -1.576 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.938 -1.814 -1.577 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.129 -0.547 -1.957 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.919 -0.277 -0.680 1.00 2.78 H new