USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 122:sc= 0.262 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.054 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0174) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.1 (180deg=0.848) USER MOD Single : A 2 GLN : amide:sc= -0.439 K(o=-0.44,f=-4.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.12) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.0282 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 25 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= 1.65 (180deg=1.47) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 1.29 (180deg=0.936) USER MOD Single : A 31 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.54) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 41 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.22) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0221 K(o=-0.022,f=-4.6!) USER MOD Single : A 55 THR OG1 : rot -42:sc= 0.502 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.206 USER MOD Single : A 60 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.026) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 123:sc= 0.747 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=-0.049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.203 -4.343 -3.702 1.00 0.78 N ATOM 2 CA MET A 1 12.868 -4.902 -2.374 1.00 0.70 C ATOM 3 C MET A 1 11.434 -5.306 -2.339 1.00 0.62 C ATOM 4 O MET A 1 10.564 -4.680 -2.941 1.00 0.68 O ATOM 5 CB MET A 1 13.256 -3.915 -1.261 1.00 0.75 C ATOM 6 CG MET A 1 12.161 -2.879 -1.000 1.00 0.79 C ATOM 7 SD MET A 1 12.900 -1.567 0.021 1.00 1.10 S ATOM 8 CE MET A 1 11.414 -0.549 -0.219 1.00 0.84 C ATOM 0 H1 MET A 1 14.093 -3.808 -3.639 1.00 0.78 H new ATOM 0 H2 MET A 1 13.312 -5.118 -4.387 1.00 0.78 H new ATOM 0 H3 MET A 1 12.440 -3.709 -4.015 1.00 0.78 H new ATOM 0 HA MET A 1 13.451 -5.805 -2.193 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.458 -4.467 -0.343 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.179 -3.404 -1.536 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.785 -2.471 -1.938 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.314 -3.335 -0.488 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.502 0.366 0.366 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.313 -0.296 -1.274 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.535 -1.105 0.107 1.00 0.84 H new ATOM 20 N GLN A 2 11.158 -6.296 -1.471 1.00 0.59 N ATOM 21 CA GLN A 2 9.821 -6.799 -1.399 1.00 0.56 C ATOM 22 C GLN A 2 9.182 -6.233 -0.177 1.00 0.50 C ATOM 23 O GLN A 2 9.890 -5.970 0.794 1.00 0.60 O ATOM 24 CB GLN A 2 9.833 -8.335 -1.333 1.00 0.71 C ATOM 25 CG GLN A 2 10.052 -9.158 -2.604 1.00 1.15 C ATOM 26 CD GLN A 2 11.312 -8.745 -3.351 1.00 1.30 C ATOM 27 OE1 GLN A 2 11.101 -8.164 -4.414 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.584 -8.810 -2.871 1.00 1.72 N ATOM 0 H GLN A 2 11.831 -6.734 -0.842 1.00 0.59 H new ATOM 0 HA GLN A 2 9.260 -6.507 -2.286 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.610 -8.622 -0.624 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.880 -8.648 -0.906 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.117 -10.214 -2.343 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.189 -9.044 -3.261 1.00 1.15 H new ATOM 0 HE21 GLN A 2 12.773 -9.289 -1.990 1.00 1.72 H new ATOM 0 HE22 GLN A 2 13.348 -8.380 -3.392 1.00 1.72 H new ATOM 37 N ILE A 3 7.877 -5.912 -0.207 1.00 0.44 N ATOM 38 CA ILE A 3 7.075 -5.442 0.878 1.00 0.42 C ATOM 39 C ILE A 3 5.818 -6.242 0.875 1.00 0.40 C ATOM 40 O ILE A 3 5.530 -6.967 -0.075 1.00 0.50 O ATOM 41 CB ILE A 3 6.715 -3.986 0.882 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.212 -3.594 -0.518 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.977 -3.176 1.225 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.627 -2.183 -0.554 1.00 0.72 C ATOM 0 H ILE A 3 7.337 -5.989 -1.069 1.00 0.44 H new ATOM 0 HA ILE A 3 7.689 -5.565 1.770 1.00 0.42 H new ATOM 0 HB ILE A 3 5.935 -3.784 1.616 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.036 -3.661 -1.229 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.454 -4.307 -0.841 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.736 -2.113 1.233 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.344 -3.472 2.208 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.747 -3.368 0.478 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.287 -1.956 -1.564 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.785 -2.121 0.135 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.392 -1.464 -0.258 1.00 0.72 H new ATOM 56 N PHE A 4 5.090 -6.296 2.005 1.00 0.37 N ATOM 57 CA PHE A 4 3.849 -6.971 2.236 1.00 0.38 C ATOM 58 C PHE A 4 2.702 -6.020 2.248 1.00 0.39 C ATOM 59 O PHE A 4 2.933 -4.868 2.613 1.00 0.60 O ATOM 60 CB PHE A 4 3.972 -7.825 3.508 1.00 0.45 C ATOM 61 CG PHE A 4 5.177 -8.686 3.680 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.356 -9.731 2.805 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.010 -8.524 4.763 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.470 -10.536 2.847 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.116 -9.339 4.800 1.00 1.40 C ATOM 66 CZ PHE A 4 7.392 -10.277 3.834 1.00 0.85 C ATOM 0 H PHE A 4 5.407 -5.814 2.846 1.00 0.37 H new ATOM 0 HA PHE A 4 3.632 -7.649 1.411 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.922 -7.152 4.364 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.095 -8.470 3.559 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.598 -9.926 2.061 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.807 -7.800 5.538 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.615 -11.336 2.136 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.802 -9.237 5.628 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.331 -10.810 3.850 1.00 0.85 H new ATOM 76 N VAL A 5 1.480 -6.469 1.907 1.00 0.35 N ATOM 77 CA VAL A 5 0.292 -5.675 1.926 1.00 0.35 C ATOM 78 C VAL A 5 -0.782 -6.528 2.509 1.00 0.35 C ATOM 79 O VAL A 5 -1.318 -7.389 1.812 1.00 0.46 O ATOM 80 CB VAL A 5 -0.199 -5.149 0.610 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.518 -4.364 0.708 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.913 -4.179 0.178 1.00 0.56 C ATOM 0 H VAL A 5 1.314 -7.429 1.605 1.00 0.35 H new ATOM 0 HA VAL A 5 0.541 -4.782 2.500 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.400 -5.971 -0.077 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.809 -4.016 -0.283 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.298 -5.012 1.108 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.383 -3.507 1.368 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.654 -3.733 -0.782 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.021 -3.393 0.926 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.853 -4.722 0.084 1.00 0.56 H new ATOM 92 N LYS A 6 -1.189 -6.314 3.772 1.00 0.36 N ATOM 93 CA LYS A 6 -2.197 -7.034 4.488 1.00 0.39 C ATOM 94 C LYS A 6 -3.537 -6.406 4.307 1.00 0.46 C ATOM 95 O LYS A 6 -3.859 -5.252 4.587 1.00 0.53 O ATOM 96 CB LYS A 6 -1.938 -7.120 6.001 1.00 0.54 C ATOM 97 CG LYS A 6 -0.874 -8.126 6.447 1.00 1.22 C ATOM 98 CD LYS A 6 -0.642 -8.080 7.958 1.00 1.37 C ATOM 99 CE LYS A 6 -1.559 -9.069 8.682 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.245 -10.512 8.575 1.00 2.09 N ATOM 0 H LYS A 6 -0.777 -5.574 4.340 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.167 -8.040 4.069 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.645 -6.132 6.355 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.876 -7.371 6.496 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.181 -9.131 6.157 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.062 -7.917 5.930 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.399 -8.316 8.177 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.825 -7.071 8.327 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.566 -8.806 9.740 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.572 -8.919 8.310 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.946 -11.061 9.112 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.272 -10.800 7.576 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.296 -10.690 8.961 1.00 2.09 H new ATOM 114 N THR A 7 -4.462 -7.171 3.702 1.00 0.58 N ATOM 115 CA THR A 7 -5.795 -6.705 3.475 1.00 0.78 C ATOM 116 C THR A 7 -6.711 -6.780 4.648 1.00 0.94 C ATOM 117 O THR A 7 -6.340 -7.336 5.681 1.00 0.99 O ATOM 118 CB THR A 7 -6.439 -7.410 2.320 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.952 -8.720 2.517 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.361 -7.483 1.224 1.00 0.92 C ATOM 0 H THR A 7 -4.286 -8.118 3.368 1.00 0.58 H new ATOM 0 HA THR A 7 -5.654 -5.647 3.256 1.00 0.78 H new ATOM 0 HB THR A 7 -7.333 -6.830 2.091 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.908 -8.733 2.302 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.767 -7.989 0.348 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.052 -6.474 0.950 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.500 -8.038 1.597 1.00 0.92 H new ATOM 128 N LEU A 8 -7.926 -6.235 4.462 1.00 1.17 N ATOM 129 CA LEU A 8 -9.025 -6.366 5.368 1.00 1.39 C ATOM 130 C LEU A 8 -9.432 -7.789 5.533 1.00 1.44 C ATOM 131 O LEU A 8 -9.497 -8.294 6.654 1.00 1.60 O ATOM 132 CB LEU A 8 -10.265 -5.547 4.969 1.00 1.66 C ATOM 133 CG LEU A 8 -9.935 -4.050 4.847 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.058 -3.474 3.968 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.770 -3.454 6.255 1.00 2.43 C ATOM 0 H LEU A 8 -8.153 -5.676 3.640 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.650 -5.966 6.310 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.655 -5.914 4.019 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.050 -5.688 5.712 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.986 -3.810 4.367 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.899 -2.405 3.830 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.051 -3.970 2.998 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.020 -3.638 4.453 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.536 -2.392 6.176 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.697 -3.580 6.814 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.960 -3.966 6.774 1.00 2.43 H new ATOM 147 N THR A 9 -9.703 -8.542 4.451 1.00 1.41 N ATOM 148 CA THR A 9 -10.233 -9.865 4.550 1.00 1.51 C ATOM 149 C THR A 9 -9.326 -10.879 5.160 1.00 1.37 C ATOM 150 O THR A 9 -9.754 -11.719 5.949 1.00 1.62 O ATOM 151 CB THR A 9 -10.768 -10.131 3.173 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.809 -10.023 2.132 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.889 -9.110 2.914 1.00 2.08 C ATOM 0 H THR A 9 -9.551 -8.226 3.493 1.00 1.41 H new ATOM 0 HA THR A 9 -11.030 -9.953 5.289 1.00 1.51 H new ATOM 0 HB THR A 9 -11.110 -11.166 3.155 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.238 -10.212 1.271 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.305 -9.271 1.919 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.674 -9.234 3.660 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.484 -8.100 2.979 1.00 2.08 H new ATOM 161 N GLY A 10 -8.029 -10.754 4.824 1.00 1.18 N ATOM 162 CA GLY A 10 -6.951 -11.515 5.374 1.00 1.22 C ATOM 163 C GLY A 10 -6.076 -12.227 4.401 1.00 0.99 C ATOM 164 O GLY A 10 -5.826 -13.427 4.496 1.00 1.31 O ATOM 0 H GLY A 10 -7.715 -10.080 4.126 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.328 -10.845 5.967 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.369 -12.252 6.060 1.00 1.22 H new ATOM 168 N LYS A 11 -5.602 -11.427 3.429 1.00 0.73 N ATOM 169 CA LYS A 11 -4.657 -11.874 2.452 1.00 0.60 C ATOM 170 C LYS A 11 -3.483 -10.984 2.672 1.00 0.51 C ATOM 171 O LYS A 11 -3.684 -9.800 2.939 1.00 0.63 O ATOM 172 CB LYS A 11 -5.206 -11.939 1.017 1.00 0.75 C ATOM 173 CG LYS A 11 -4.238 -12.650 0.070 1.00 0.87 C ATOM 174 CD LYS A 11 -4.903 -12.861 -1.292 1.00 1.04 C ATOM 175 CE LYS A 11 -4.964 -11.558 -2.092 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.600 -11.906 -3.381 1.00 1.40 N ATOM 0 H LYS A 11 -5.880 -10.452 3.319 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.380 -12.921 2.576 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.163 -12.461 1.017 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.394 -10.929 0.654 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.330 -12.059 -0.047 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.942 -13.610 0.492 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.349 -13.611 -1.857 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.911 -13.250 -1.150 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.542 -10.801 -1.563 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.966 -11.147 -2.247 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.279 -11.244 -4.116 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.335 -12.876 -3.648 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.634 -11.843 -3.286 1.00 1.40 H new ATOM 190 N THR A 12 -2.285 -11.530 2.396 1.00 0.49 N ATOM 191 CA THR A 12 -1.082 -10.759 2.452 1.00 0.48 C ATOM 192 C THR A 12 -0.492 -10.789 1.084 1.00 0.52 C ATOM 193 O THR A 12 -0.102 -11.862 0.628 1.00 0.72 O ATOM 194 CB THR A 12 -0.120 -11.310 3.462 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.758 -11.296 4.730 1.00 0.77 O ATOM 196 CG2 THR A 12 1.097 -10.380 3.605 1.00 0.78 C ATOM 0 H THR A 12 -2.149 -12.506 2.134 1.00 0.49 H new ATOM 0 HA THR A 12 -1.298 -9.737 2.765 1.00 0.48 H new ATOM 0 HB THR A 12 0.184 -12.307 3.144 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.147 -11.654 5.407 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.786 -10.793 4.341 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.603 -10.292 2.644 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.765 -9.394 3.931 1.00 0.78 H new ATOM 204 N ILE A 13 -0.377 -9.677 0.335 1.00 0.48 N ATOM 205 CA ILE A 13 0.186 -9.654 -0.979 1.00 0.55 C ATOM 206 C ILE A 13 1.611 -9.265 -0.790 1.00 0.51 C ATOM 207 O ILE A 13 1.936 -8.370 -0.011 1.00 0.56 O ATOM 208 CB ILE A 13 -0.509 -8.703 -1.908 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.005 -8.617 -1.563 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.096 -9.037 -3.352 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.880 -7.598 -2.293 1.00 1.55 C ATOM 0 H ILE A 13 -0.688 -8.760 0.657 1.00 0.48 H new ATOM 0 HA ILE A 13 0.075 -10.630 -1.453 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.195 -7.667 -1.784 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.438 -9.603 -1.732 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.085 -8.413 -0.495 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.594 -8.354 -4.040 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.984 -8.933 -3.455 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.386 -10.062 -3.586 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.905 -7.672 -1.929 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.500 -6.593 -2.107 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.860 -7.802 -3.364 1.00 1.55 H new ATOM 223 N THR A 14 2.567 -9.932 -1.462 1.00 0.55 N ATOM 224 CA THR A 14 3.951 -9.574 -1.507 1.00 0.54 C ATOM 225 C THR A 14 4.054 -8.796 -2.774 1.00 0.55 C ATOM 226 O THR A 14 3.637 -9.215 -3.851 1.00 0.72 O ATOM 227 CB THR A 14 4.908 -10.722 -1.384 1.00 0.67 C ATOM 228 OG1 THR A 14 4.642 -11.504 -0.228 1.00 1.08 O ATOM 229 CG2 THR A 14 6.402 -10.360 -1.373 1.00 1.03 C ATOM 0 H THR A 14 2.361 -10.770 -2.005 1.00 0.55 H new ATOM 0 HA THR A 14 4.258 -8.992 -0.638 1.00 0.54 H new ATOM 0 HB THR A 14 4.726 -11.282 -2.302 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.098 -11.111 0.545 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.996 -11.269 -1.280 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.660 -9.851 -2.302 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.611 -9.702 -0.529 1.00 1.03 H new ATOM 237 N LEU A 15 4.665 -7.605 -2.637 1.00 0.50 N ATOM 238 CA LEU A 15 4.848 -6.698 -3.728 1.00 0.55 C ATOM 239 C LEU A 15 6.310 -6.422 -3.795 1.00 0.52 C ATOM 240 O LEU A 15 7.014 -6.308 -2.793 1.00 0.58 O ATOM 241 CB LEU A 15 4.202 -5.318 -3.522 1.00 0.69 C ATOM 242 CG LEU A 15 2.709 -5.435 -3.170 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.267 -3.981 -2.934 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.839 -6.152 -4.216 1.00 1.55 C ATOM 0 H LEU A 15 5.039 -7.265 -1.751 1.00 0.50 H new ATOM 0 HA LEU A 15 4.400 -7.161 -4.607 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.723 -4.788 -2.725 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.317 -4.724 -4.428 1.00 0.69 H new ATOM 0 HG LEU A 15 2.574 -6.076 -2.299 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.208 -3.960 -2.675 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.849 -3.552 -2.118 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.430 -3.399 -3.841 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.805 -6.181 -3.871 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.891 -5.614 -5.163 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.203 -7.170 -4.356 1.00 1.55 H new ATOM 256 N GLU A 16 6.897 -6.470 -5.004 1.00 0.59 N ATOM 257 CA GLU A 16 8.227 -6.027 -5.285 1.00 0.63 C ATOM 258 C GLU A 16 8.236 -4.605 -5.729 1.00 0.65 C ATOM 259 O GLU A 16 7.734 -4.253 -6.795 1.00 0.81 O ATOM 260 CB GLU A 16 8.992 -6.979 -6.221 1.00 0.76 C ATOM 261 CG GLU A 16 8.363 -7.151 -7.605 1.00 1.41 C ATOM 262 CD GLU A 16 9.187 -7.966 -8.592 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.762 -9.036 -8.258 1.00 1.95 O ATOM 264 OE2 GLU A 16 9.247 -7.591 -9.792 1.00 1.92 O ATOM 0 H GLU A 16 6.419 -6.837 -5.827 1.00 0.59 H new ATOM 0 HA GLU A 16 8.789 -6.061 -4.351 1.00 0.63 H new ATOM 0 HB2 GLU A 16 10.010 -6.608 -6.342 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.063 -7.957 -5.744 1.00 0.76 H new ATOM 0 HG2 GLU A 16 7.390 -7.627 -7.488 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.186 -6.164 -8.032 1.00 1.41 H new ATOM 271 N VAL A 17 8.702 -3.664 -4.888 1.00 0.61 N ATOM 272 CA VAL A 17 8.894 -2.273 -5.152 1.00 0.63 C ATOM 273 C VAL A 17 10.320 -1.842 -5.138 1.00 0.65 C ATOM 274 O VAL A 17 11.204 -2.622 -4.788 1.00 0.76 O ATOM 275 CB VAL A 17 8.140 -1.484 -4.123 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.640 -1.819 -4.076 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.717 -1.670 -2.709 1.00 0.92 C ATOM 0 H VAL A 17 8.969 -3.903 -3.933 1.00 0.61 H new ATOM 0 HA VAL A 17 8.527 -2.091 -6.162 1.00 0.63 H new ATOM 0 HB VAL A 17 8.257 -0.447 -4.439 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.156 -1.213 -3.311 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.189 -1.607 -5.046 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.510 -2.875 -3.838 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.138 -1.079 -1.999 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.667 -2.723 -2.431 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.756 -1.340 -2.694 1.00 0.92 H new ATOM 287 N GLU A 18 10.581 -0.549 -5.398 1.00 0.68 N ATOM 288 CA GLU A 18 11.823 0.121 -5.169 1.00 0.74 C ATOM 289 C GLU A 18 11.446 1.294 -4.331 1.00 0.71 C ATOM 290 O GLU A 18 10.355 1.860 -4.355 1.00 0.74 O ATOM 291 CB GLU A 18 12.428 0.515 -6.528 1.00 0.88 C ATOM 292 CG GLU A 18 13.115 -0.719 -7.117 1.00 1.16 C ATOM 293 CD GLU A 18 13.752 -0.448 -8.473 1.00 1.71 C ATOM 294 OE1 GLU A 18 13.026 -0.385 -9.500 1.00 2.35 O ATOM 295 OE2 GLU A 18 15.000 -0.278 -8.502 1.00 2.33 O ATOM 0 H GLU A 18 9.875 0.070 -5.796 1.00 0.68 H new ATOM 0 HA GLU A 18 12.583 -0.478 -4.667 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.650 0.875 -7.201 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.144 1.327 -6.405 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.881 -1.068 -6.424 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.385 -1.522 -7.217 1.00 1.16 H new ATOM 302 N PRO A 19 12.329 1.834 -3.543 1.00 0.74 N ATOM 303 CA PRO A 19 12.066 2.854 -2.570 1.00 0.74 C ATOM 304 C PRO A 19 11.674 4.122 -3.246 1.00 0.70 C ATOM 305 O PRO A 19 10.900 4.895 -2.683 1.00 0.74 O ATOM 306 CB PRO A 19 13.243 2.853 -1.596 1.00 0.86 C ATOM 307 CG PRO A 19 14.399 2.162 -2.337 1.00 0.95 C ATOM 308 CD PRO A 19 13.684 1.322 -3.408 1.00 0.82 C ATOM 0 HA PRO A 19 11.192 2.678 -1.944 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.514 3.869 -1.309 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.992 2.319 -0.679 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.080 2.886 -2.783 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.991 1.539 -1.666 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.213 1.385 -4.359 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.668 0.271 -3.121 1.00 0.82 H new ATOM 316 N SER A 20 12.204 4.352 -4.460 1.00 0.70 N ATOM 317 CA SER A 20 11.925 5.401 -5.392 1.00 0.74 C ATOM 318 C SER A 20 10.551 5.436 -5.967 1.00 0.71 C ATOM 319 O SER A 20 10.224 6.398 -6.660 1.00 0.80 O ATOM 320 CB SER A 20 12.912 5.428 -6.569 1.00 0.89 C ATOM 321 OG SER A 20 12.943 4.161 -7.209 1.00 1.45 O ATOM 0 H SER A 20 12.916 3.722 -4.830 1.00 0.70 H new ATOM 0 HA SER A 20 12.033 6.280 -4.756 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.618 6.198 -7.283 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.908 5.688 -6.212 1.00 0.89 H new ATOM 0 HG SER A 20 13.573 4.189 -7.959 1.00 1.45 H new ATOM 327 N ASP A 21 9.739 4.365 -5.899 1.00 0.70 N ATOM 328 CA ASP A 21 8.388 4.296 -6.360 1.00 0.73 C ATOM 329 C ASP A 21 7.521 5.126 -5.477 1.00 0.64 C ATOM 330 O ASP A 21 7.789 5.187 -4.277 1.00 0.66 O ATOM 331 CB ASP A 21 7.837 2.862 -6.294 1.00 0.87 C ATOM 332 CG ASP A 21 8.188 2.035 -7.524 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.275 2.577 -8.658 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.489 0.820 -7.382 1.00 1.50 O ATOM 0 H ASP A 21 10.052 3.484 -5.492 1.00 0.70 H new ATOM 0 HA ASP A 21 8.382 4.648 -7.391 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.230 2.368 -5.406 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.753 2.899 -6.185 1.00 0.87 H new ATOM 339 N THR A 22 6.538 5.793 -6.107 1.00 0.63 N ATOM 340 CA THR A 22 5.560 6.528 -5.368 1.00 0.58 C ATOM 341 C THR A 22 4.508 5.658 -4.772 1.00 0.53 C ATOM 342 O THR A 22 4.408 4.507 -5.192 1.00 0.58 O ATOM 343 CB THR A 22 5.006 7.617 -6.238 1.00 0.63 C ATOM 344 OG1 THR A 22 4.538 7.019 -7.439 1.00 0.70 O ATOM 345 CG2 THR A 22 6.111 8.657 -6.490 1.00 0.75 C ATOM 0 H THR A 22 6.421 5.824 -7.120 1.00 0.63 H new ATOM 0 HA THR A 22 6.044 6.988 -4.506 1.00 0.58 H new ATOM 0 HB THR A 22 4.171 8.135 -5.766 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.168 7.711 -8.026 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.722 9.455 -7.122 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.441 9.075 -5.539 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.954 8.179 -6.988 1.00 0.75 H new ATOM 353 N ILE A 23 3.711 6.150 -3.806 1.00 0.51 N ATOM 354 CA ILE A 23 2.604 5.416 -3.276 1.00 0.48 C ATOM 355 C ILE A 23 1.475 5.124 -4.204 1.00 0.48 C ATOM 356 O ILE A 23 0.968 4.003 -4.211 1.00 0.51 O ATOM 357 CB ILE A 23 2.049 6.189 -2.116 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.121 6.367 -1.027 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.737 5.558 -1.620 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.697 5.063 -0.480 1.00 0.73 C ATOM 0 H ILE A 23 3.837 7.071 -3.387 1.00 0.51 H new ATOM 0 HA ILE A 23 3.018 4.441 -3.018 1.00 0.48 H new ATOM 0 HB ILE A 23 1.783 7.196 -2.436 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.936 6.966 -1.433 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.690 6.933 -0.201 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.352 6.134 -0.779 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.004 5.560 -2.427 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.924 4.532 -1.302 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.444 5.286 0.282 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.897 4.468 -0.040 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.162 4.502 -1.291 1.00 0.73 H new ATOM 372 N GLU A 24 1.240 6.058 -5.143 1.00 0.50 N ATOM 373 CA GLU A 24 0.455 5.937 -6.333 1.00 0.53 C ATOM 374 C GLU A 24 0.862 4.713 -7.081 1.00 0.50 C ATOM 375 O GLU A 24 0.116 3.822 -7.483 1.00 0.55 O ATOM 376 CB GLU A 24 0.600 7.116 -7.309 1.00 0.64 C ATOM 377 CG GLU A 24 -0.105 6.916 -8.652 1.00 0.95 C ATOM 378 CD GLU A 24 0.130 8.074 -9.611 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.287 8.375 -10.009 1.00 1.56 O ATOM 380 OE2 GLU A 24 -0.840 8.846 -9.838 1.00 1.62 O ATOM 0 H GLU A 24 1.642 6.992 -5.058 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.579 5.903 -5.989 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.205 8.015 -6.835 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.660 7.292 -7.492 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.248 5.992 -9.110 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.176 6.800 -8.483 1.00 0.95 H new ATOM 387 N ASN A 25 2.185 4.580 -7.284 1.00 0.51 N ATOM 388 CA ASN A 25 2.670 3.459 -8.027 1.00 0.52 C ATOM 389 C ASN A 25 2.465 2.119 -7.409 1.00 0.47 C ATOM 390 O ASN A 25 2.142 1.191 -8.150 1.00 0.53 O ATOM 391 CB ASN A 25 4.136 3.767 -8.376 1.00 0.64 C ATOM 392 CG ASN A 25 4.850 2.743 -9.246 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.861 1.549 -8.950 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.373 3.219 -10.409 1.00 1.57 N ATOM 0 H ASN A 25 2.899 5.226 -6.946 1.00 0.51 H new ATOM 0 HA ASN A 25 2.064 3.351 -8.927 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.172 4.731 -8.883 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.694 3.875 -7.446 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.797 2.576 -11.078 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.341 4.218 -10.611 1.00 1.57 H new ATOM 401 N VAL A 26 2.575 1.939 -6.081 1.00 0.45 N ATOM 402 CA VAL A 26 2.284 0.701 -5.427 1.00 0.44 C ATOM 403 C VAL A 26 0.820 0.449 -5.537 1.00 0.40 C ATOM 404 O VAL A 26 0.427 -0.714 -5.608 1.00 0.44 O ATOM 405 CB VAL A 26 2.690 0.839 -3.989 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.469 -0.514 -3.293 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.135 1.354 -3.880 1.00 0.62 C ATOM 0 H VAL A 26 2.875 2.676 -5.443 1.00 0.45 H new ATOM 0 HA VAL A 26 2.822 -0.133 -5.879 1.00 0.44 H new ATOM 0 HB VAL A 26 2.076 1.583 -3.481 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.758 -0.436 -2.245 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.416 -0.790 -3.359 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.075 -1.277 -3.781 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.410 1.447 -2.829 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.809 0.652 -4.371 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.211 2.328 -4.363 1.00 0.62 H new ATOM 417 N LYS A 27 -0.053 1.468 -5.640 1.00 0.40 N ATOM 418 CA LYS A 27 -1.444 1.169 -5.779 1.00 0.41 C ATOM 419 C LYS A 27 -1.790 0.684 -7.145 1.00 0.38 C ATOM 420 O LYS A 27 -2.748 -0.072 -7.296 1.00 0.42 O ATOM 421 CB LYS A 27 -2.357 2.370 -5.477 1.00 0.51 C ATOM 422 CG LYS A 27 -2.256 2.878 -4.038 1.00 0.76 C ATOM 423 CD LYS A 27 -3.063 4.157 -3.800 1.00 0.82 C ATOM 424 CE LYS A 27 -3.169 4.566 -2.329 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.151 5.667 -2.219 1.00 1.11 N ATOM 0 H LYS A 27 0.189 2.459 -5.628 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.618 0.384 -5.043 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.108 3.184 -6.158 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.390 2.089 -5.681 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.607 2.101 -3.358 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.210 3.064 -3.796 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.605 4.972 -4.360 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.067 4.020 -4.201 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.482 3.717 -1.721 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.197 4.886 -1.954 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.528 5.700 -1.250 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.686 6.570 -2.440 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.930 5.505 -2.889 1.00 1.11 H new ATOM 439 N ALA A 28 -1.003 1.105 -8.151 1.00 0.39 N ATOM 440 CA ALA A 28 -1.107 0.644 -9.500 1.00 0.39 C ATOM 441 C ALA A 28 -0.656 -0.770 -9.629 1.00 0.36 C ATOM 442 O ALA A 28 -1.283 -1.494 -10.401 1.00 0.42 O ATOM 443 CB ALA A 28 -0.369 1.548 -10.500 1.00 0.51 C ATOM 0 H ALA A 28 -0.264 1.795 -8.019 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.166 0.691 -9.755 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.484 1.147 -11.507 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.788 2.553 -10.460 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.690 1.586 -10.243 1.00 0.51 H new ATOM 449 N LYS A 29 0.309 -1.305 -8.858 1.00 0.39 N ATOM 450 CA LYS A 29 0.764 -2.660 -8.813 1.00 0.43 C ATOM 451 C LYS A 29 -0.293 -3.531 -8.227 1.00 0.44 C ATOM 452 O LYS A 29 -0.553 -4.633 -8.705 1.00 0.54 O ATOM 453 CB LYS A 29 2.177 -2.704 -8.207 1.00 0.54 C ATOM 454 CG LYS A 29 2.830 -4.087 -8.142 1.00 0.65 C ATOM 455 CD LYS A 29 4.323 -4.112 -7.812 1.00 1.08 C ATOM 456 CE LYS A 29 5.040 -3.727 -9.109 1.00 1.24 C ATOM 457 NZ LYS A 29 6.414 -3.208 -8.926 1.00 1.44 N ATOM 0 H LYS A 29 0.823 -0.723 -8.197 1.00 0.39 H new ATOM 0 HA LYS A 29 0.907 -3.097 -9.801 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.822 -2.045 -8.788 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.132 -2.296 -7.197 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.304 -4.680 -7.394 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.683 -4.581 -9.102 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.559 -3.411 -7.011 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.632 -5.100 -7.472 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.080 -4.601 -9.759 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.447 -2.972 -9.626 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 7.006 -3.502 -9.729 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.389 -2.169 -8.876 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.814 -3.587 -8.044 1.00 1.44 H new ATOM 471 N ILE A 30 -1.004 -2.939 -7.249 1.00 0.41 N ATOM 472 CA ILE A 30 -2.182 -3.488 -6.654 1.00 0.44 C ATOM 473 C ILE A 30 -3.321 -3.497 -7.614 1.00 0.45 C ATOM 474 O ILE A 30 -4.110 -4.436 -7.708 1.00 0.56 O ATOM 475 CB ILE A 30 -2.496 -2.821 -5.347 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.477 -3.209 -4.263 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.900 -3.219 -4.864 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.566 -2.301 -3.038 1.00 1.32 C ATOM 0 H ILE A 30 -0.744 -2.035 -6.855 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.992 -4.534 -6.413 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.449 -1.745 -5.514 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.646 -4.242 -3.961 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.470 -3.159 -4.678 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.111 -2.726 -3.915 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.640 -2.913 -5.604 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.946 -4.300 -4.730 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.828 -2.613 -2.299 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.370 -1.270 -3.334 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.564 -2.371 -2.605 1.00 1.32 H new ATOM 490 N GLN A 31 -3.518 -2.399 -8.366 1.00 0.41 N ATOM 491 CA GLN A 31 -4.576 -2.324 -9.326 1.00 0.48 C ATOM 492 C GLN A 31 -4.452 -3.325 -10.422 1.00 0.52 C ATOM 493 O GLN A 31 -5.438 -3.995 -10.727 1.00 0.66 O ATOM 494 CB GLN A 31 -4.744 -0.873 -9.807 1.00 0.52 C ATOM 495 CG GLN A 31 -5.982 -0.844 -10.705 1.00 0.70 C ATOM 496 CD GLN A 31 -6.254 0.550 -11.251 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.421 0.933 -11.324 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.244 1.357 -11.671 1.00 1.43 N ATOM 0 H GLN A 31 -2.942 -1.559 -8.309 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.506 -2.609 -8.834 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.865 -0.197 -8.961 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.861 -0.543 -10.355 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.846 -1.538 -11.534 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.848 -1.188 -10.140 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.277 1.038 -11.610 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.453 2.282 -12.047 1.00 1.43 H new ATOM 507 N ASP A 32 -3.255 -3.647 -10.944 1.00 0.50 N ATOM 508 CA ASP A 32 -2.888 -4.708 -11.831 1.00 0.60 C ATOM 509 C ASP A 32 -3.374 -6.055 -11.417 1.00 0.65 C ATOM 510 O ASP A 32 -3.985 -6.854 -12.123 1.00 0.81 O ATOM 511 CB ASP A 32 -1.368 -4.724 -12.062 1.00 0.67 C ATOM 512 CG ASP A 32 -0.865 -3.479 -12.776 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.634 -2.718 -13.422 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.367 -3.217 -12.745 1.00 1.55 O ATOM 0 H ASP A 32 -2.437 -3.084 -10.709 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.398 -4.491 -12.770 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.861 -4.816 -11.102 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.104 -5.604 -12.648 1.00 0.67 H new ATOM 519 N LYS A 33 -3.138 -6.418 -10.144 1.00 0.62 N ATOM 520 CA LYS A 33 -3.541 -7.685 -9.617 1.00 0.73 C ATOM 521 C LYS A 33 -4.914 -7.774 -9.045 1.00 0.69 C ATOM 522 O LYS A 33 -5.714 -8.615 -9.452 1.00 0.83 O ATOM 523 CB LYS A 33 -2.571 -8.114 -8.503 1.00 0.85 C ATOM 524 CG LYS A 33 -1.118 -7.978 -8.962 1.00 1.31 C ATOM 525 CD LYS A 33 -0.103 -8.290 -7.859 1.00 1.71 C ATOM 526 CE LYS A 33 1.376 -8.008 -8.125 1.00 2.26 C ATOM 527 NZ LYS A 33 2.062 -8.936 -9.053 1.00 2.62 N ATOM 0 H LYS A 33 -2.659 -5.822 -9.469 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.530 -8.333 -10.493 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.735 -7.502 -7.616 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.772 -9.147 -8.219 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.946 -8.648 -9.804 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.952 -6.963 -9.323 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.393 -7.726 -6.973 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.199 -9.347 -7.610 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.466 -6.997 -8.523 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.905 -8.024 -7.172 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.056 -8.650 -9.158 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.019 -9.903 -8.672 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.594 -8.908 -9.981 1.00 2.62 H new ATOM 541 N GLU A 34 -5.232 -6.951 -8.030 1.00 0.63 N ATOM 542 CA GLU A 34 -6.388 -7.112 -7.203 1.00 0.67 C ATOM 543 C GLU A 34 -7.621 -6.557 -7.830 1.00 0.69 C ATOM 544 O GLU A 34 -8.663 -7.195 -7.967 1.00 0.95 O ATOM 545 CB GLU A 34 -6.047 -6.489 -5.838 1.00 0.73 C ATOM 546 CG GLU A 34 -5.099 -7.259 -4.917 1.00 0.83 C ATOM 547 CD GLU A 34 -5.766 -8.571 -4.530 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.816 -8.563 -3.835 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.161 -9.648 -4.782 1.00 1.48 O ATOM 0 H GLU A 34 -4.663 -6.143 -7.776 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.628 -8.167 -7.071 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.613 -5.506 -6.018 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.981 -6.331 -5.300 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.152 -7.449 -5.421 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.874 -6.671 -4.027 1.00 0.83 H new ATOM 556 N GLY A 35 -7.402 -5.354 -8.391 1.00 0.63 N ATOM 557 CA GLY A 35 -8.366 -4.606 -9.138 1.00 0.68 C ATOM 558 C GLY A 35 -9.136 -3.655 -8.288 1.00 0.76 C ATOM 559 O GLY A 35 -10.347 -3.825 -8.161 1.00 1.12 O ATOM 0 H GLY A 35 -6.503 -4.878 -8.319 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.858 -4.053 -9.928 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.057 -5.294 -9.625 1.00 0.68 H new ATOM 563 N ILE A 36 -8.449 -2.665 -7.690 1.00 0.70 N ATOM 564 CA ILE A 36 -8.972 -1.677 -6.800 1.00 0.76 C ATOM 565 C ILE A 36 -8.495 -0.363 -7.316 1.00 0.71 C ATOM 566 O ILE A 36 -7.277 -0.195 -7.307 1.00 0.73 O ATOM 567 CB ILE A 36 -8.523 -1.919 -5.388 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.798 -3.371 -4.962 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.367 -1.059 -4.434 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.459 -3.797 -3.534 1.00 1.16 C ATOM 0 H ILE A 36 -7.447 -2.548 -7.843 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.061 -1.709 -6.768 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.459 -1.688 -5.344 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.858 -3.566 -5.122 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.248 -4.024 -5.640 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.045 -1.231 -3.407 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.238 -0.006 -4.683 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.418 -1.329 -4.534 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.714 -4.848 -3.398 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.393 -3.656 -3.356 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.028 -3.191 -2.829 1.00 1.16 H new ATOM 582 N PRO A 37 -9.218 0.628 -7.745 1.00 0.75 N ATOM 583 CA PRO A 37 -8.658 1.858 -8.226 1.00 0.79 C ATOM 584 C PRO A 37 -7.993 2.633 -7.142 1.00 0.75 C ATOM 585 O PRO A 37 -8.605 2.606 -6.074 1.00 0.75 O ATOM 586 CB PRO A 37 -9.857 2.692 -8.673 1.00 0.95 C ATOM 587 CG PRO A 37 -10.889 1.628 -9.081 1.00 1.02 C ATOM 588 CD PRO A 37 -10.637 0.518 -8.047 1.00 0.85 C ATOM 0 HA PRO A 37 -7.923 1.647 -9.003 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.229 3.327 -7.869 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.604 3.348 -9.506 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.909 2.009 -9.029 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.731 1.278 -10.101 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.246 0.659 -7.154 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.884 -0.465 -8.449 1.00 0.85 H new ATOM 596 N PRO A 38 -6.878 3.268 -7.351 1.00 0.81 N ATOM 597 CA PRO A 38 -6.172 3.951 -6.308 1.00 0.85 C ATOM 598 C PRO A 38 -6.825 4.946 -5.411 1.00 0.89 C ATOM 599 O PRO A 38 -6.401 5.251 -4.298 1.00 0.99 O ATOM 600 CB PRO A 38 -5.113 4.729 -7.086 1.00 1.01 C ATOM 601 CG PRO A 38 -4.647 3.573 -7.986 1.00 1.25 C ATOM 602 CD PRO A 38 -6.020 3.135 -8.519 1.00 0.98 C ATOM 0 HA PRO A 38 -5.907 3.168 -5.598 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.523 5.569 -7.646 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.320 5.125 -6.452 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -3.970 3.898 -8.776 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.136 2.785 -7.433 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.355 3.768 -9.341 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.001 2.111 -8.892 1.00 0.98 H new ATOM 610 N ASP A 39 -7.969 5.486 -5.870 1.00 0.96 N ATOM 611 CA ASP A 39 -8.890 6.344 -5.192 1.00 1.11 C ATOM 612 C ASP A 39 -9.641 5.599 -4.142 1.00 1.00 C ATOM 613 O ASP A 39 -9.937 6.156 -3.086 1.00 1.14 O ATOM 614 CB ASP A 39 -9.756 7.137 -6.185 1.00 1.39 C ATOM 615 CG ASP A 39 -10.553 8.285 -5.581 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.899 9.222 -5.048 1.00 2.23 O ATOM 617 OD2 ASP A 39 -11.804 8.279 -5.721 1.00 2.25 O ATOM 0 H ASP A 39 -8.279 5.298 -6.823 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.336 7.109 -4.648 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.110 7.537 -6.966 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.450 6.448 -6.667 1.00 1.39 H new ATOM 622 N GLN A 40 -10.088 4.341 -4.308 1.00 0.87 N ATOM 623 CA GLN A 40 -10.799 3.692 -3.252 1.00 0.84 C ATOM 624 C GLN A 40 -9.879 3.247 -2.167 1.00 0.67 C ATOM 625 O GLN A 40 -10.287 3.135 -1.012 1.00 0.80 O ATOM 626 CB GLN A 40 -11.444 2.395 -3.769 1.00 0.95 C ATOM 627 CG GLN A 40 -12.540 2.916 -4.702 1.00 1.32 C ATOM 628 CD GLN A 40 -13.360 1.790 -5.314 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.191 0.573 -5.247 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.337 2.229 -6.152 1.00 2.02 N ATOM 0 H GLN A 40 -9.961 3.784 -5.153 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.529 4.414 -2.887 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.726 1.768 -4.298 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.854 1.795 -2.957 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.200 3.583 -4.147 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.086 3.506 -5.498 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.518 3.228 -6.245 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.889 1.559 -6.688 1.00 2.02 H new ATOM 639 N GLN A 41 -8.655 2.797 -2.493 1.00 0.56 N ATOM 640 CA GLN A 41 -7.845 2.091 -1.548 1.00 0.51 C ATOM 641 C GLN A 41 -6.967 3.098 -0.887 1.00 0.49 C ATOM 642 O GLN A 41 -6.477 4.029 -1.524 1.00 0.65 O ATOM 643 CB GLN A 41 -6.941 1.003 -2.152 1.00 0.67 C ATOM 644 CG GLN A 41 -6.313 1.311 -3.513 1.00 0.69 C ATOM 645 CD GLN A 41 -5.234 0.303 -3.882 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.325 -0.015 -3.118 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.360 -0.322 -5.083 1.00 0.61 N ATOM 0 H GLN A 41 -8.226 2.921 -3.410 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.525 1.577 -0.869 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -6.137 0.797 -1.445 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -7.526 0.088 -2.246 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.088 1.309 -4.279 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -5.883 2.313 -3.496 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.114 -0.059 -5.718 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.701 -1.054 -5.349 1.00 0.61 H new ATOM 656 N ARG A 42 -6.699 2.966 0.424 1.00 0.47 N ATOM 657 CA ARG A 42 -5.667 3.693 1.097 1.00 0.55 C ATOM 658 C ARG A 42 -4.784 2.679 1.740 1.00 0.46 C ATOM 659 O ARG A 42 -5.313 1.662 2.186 1.00 0.52 O ATOM 660 CB ARG A 42 -6.240 4.563 2.229 1.00 0.73 C ATOM 661 CG ARG A 42 -7.107 5.701 1.687 1.00 1.04 C ATOM 662 CD ARG A 42 -7.835 6.488 2.779 1.00 1.28 C ATOM 663 NE ARG A 42 -8.120 7.839 2.219 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.193 8.523 2.713 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.873 8.211 3.855 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.551 9.591 1.943 1.00 2.78 N ATOM 0 H ARG A 42 -7.216 2.334 1.035 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.152 4.333 0.381 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.833 3.942 2.900 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.422 4.978 2.818 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.479 6.384 1.115 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.842 5.289 0.996 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.759 5.986 3.067 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.221 6.563 3.676 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.531 8.240 1.489 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.588 7.408 4.415 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.666 8.781 4.148 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.029 9.805 1.093 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.341 10.175 2.217 1.00 2.78 H new ATOM 680 N LEU A 43 -3.484 2.961 1.939 1.00 0.46 N ATOM 681 CA LEU A 43 -2.555 2.054 2.538 1.00 0.42 C ATOM 682 C LEU A 43 -1.966 2.696 3.747 1.00 0.43 C ATOM 683 O LEU A 43 -1.539 3.849 3.754 1.00 0.55 O ATOM 684 CB LEU A 43 -1.413 1.597 1.615 1.00 0.55 C ATOM 685 CG LEU A 43 -1.727 0.845 0.310 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.657 1.115 -0.762 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.899 -0.668 0.526 1.00 1.12 C ATOM 0 H LEU A 43 -3.065 3.852 1.673 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.125 1.157 2.781 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.839 2.484 1.347 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.756 0.959 2.206 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.682 1.232 -0.044 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.908 0.569 -1.672 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.620 2.183 -0.978 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.315 0.784 -0.397 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.119 -1.149 -0.427 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.980 -1.084 0.938 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.721 -0.845 1.220 1.00 1.12 H new ATOM 699 N ILE A 44 -2.095 2.020 4.903 1.00 0.42 N ATOM 700 CA ILE A 44 -1.712 2.395 6.228 1.00 0.46 C ATOM 701 C ILE A 44 -0.493 1.650 6.654 1.00 0.42 C ATOM 702 O ILE A 44 -0.415 0.429 6.529 1.00 0.53 O ATOM 703 CB ILE A 44 -2.843 2.212 7.197 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.921 3.291 7.002 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.309 2.317 8.636 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.307 2.814 7.433 1.00 1.27 C ATOM 0 H ILE A 44 -2.523 1.094 4.903 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.467 3.457 6.223 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.283 1.231 7.018 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.651 4.178 7.575 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -3.951 3.585 5.953 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.131 2.184 9.340 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.559 1.544 8.803 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.858 3.298 8.786 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.032 3.613 7.275 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.592 1.943 6.843 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.287 2.545 8.489 1.00 1.27 H new ATOM 718 N PHE A 45 0.524 2.387 7.135 1.00 0.42 N ATOM 719 CA PHE A 45 1.769 1.856 7.595 1.00 0.46 C ATOM 720 C PHE A 45 1.967 2.715 8.795 1.00 0.68 C ATOM 721 O PHE A 45 1.765 3.928 8.771 1.00 1.50 O ATOM 722 CB PHE A 45 2.876 1.928 6.530 1.00 0.56 C ATOM 723 CG PHE A 45 4.242 2.035 7.115 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.901 0.908 7.547 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.931 3.211 7.287 1.00 1.19 C ATOM 726 CE1 PHE A 45 6.046 0.939 8.307 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.068 3.287 8.056 1.00 1.33 C ATOM 728 CZ PHE A 45 6.655 2.147 8.553 1.00 1.02 C ATOM 0 H PHE A 45 0.475 3.403 7.206 1.00 0.42 H new ATOM 0 HA PHE A 45 1.788 0.789 7.818 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.825 1.040 5.901 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.695 2.787 5.884 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.496 -0.055 7.274 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.568 4.105 6.802 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.462 0.026 8.706 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.504 4.251 8.272 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.571 2.199 9.122 1.00 1.02 H new ATOM 738 N ALA A 46 2.322 2.039 9.903 1.00 0.81 N ATOM 739 CA ALA A 46 2.610 2.484 11.231 1.00 0.96 C ATOM 740 C ALA A 46 1.439 3.093 11.922 1.00 0.97 C ATOM 741 O ALA A 46 1.140 2.988 13.111 1.00 1.21 O ATOM 742 CB ALA A 46 3.845 3.396 11.327 1.00 1.20 C ATOM 0 H ALA A 46 2.420 1.025 9.851 1.00 0.81 H new ATOM 0 HA ALA A 46 2.855 1.566 11.766 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.999 3.692 12.365 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.723 2.858 10.969 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.689 4.285 10.715 1.00 1.20 H new ATOM 748 N GLY A 47 0.610 3.814 11.146 1.00 0.99 N ATOM 749 CA GLY A 47 -0.595 4.471 11.545 1.00 1.10 C ATOM 750 C GLY A 47 -1.041 5.453 10.516 1.00 1.03 C ATOM 751 O GLY A 47 -2.240 5.718 10.455 1.00 1.30 O ATOM 0 H GLY A 47 0.802 3.947 10.153 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.378 3.731 11.709 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.436 4.982 12.494 1.00 1.10 H new ATOM 755 N LYS A 48 -0.071 5.959 9.734 1.00 0.98 N ATOM 756 CA LYS A 48 -0.215 6.926 8.690 1.00 1.05 C ATOM 757 C LYS A 48 -0.636 6.292 7.409 1.00 0.84 C ATOM 758 O LYS A 48 -0.195 5.239 6.950 1.00 0.81 O ATOM 759 CB LYS A 48 1.125 7.657 8.508 1.00 1.42 C ATOM 760 CG LYS A 48 1.714 8.153 9.830 1.00 1.61 C ATOM 761 CD LYS A 48 2.685 9.280 9.472 1.00 1.87 C ATOM 762 CE LYS A 48 3.554 9.754 10.639 1.00 2.22 C ATOM 763 NZ LYS A 48 4.475 10.864 10.308 1.00 2.55 N ATOM 0 H LYS A 48 0.899 5.664 9.843 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.995 7.634 8.971 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.837 6.986 8.027 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.983 8.505 7.838 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.929 8.513 10.495 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.229 7.347 10.353 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.334 8.942 8.664 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.116 10.127 9.090 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.904 10.070 11.455 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.139 8.911 11.006 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.025 11.123 11.152 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.123 10.564 9.552 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.926 11.687 9.987 1.00 2.55 H new ATOM 777 N GLN A 49 -1.580 6.962 6.726 1.00 0.84 N ATOM 778 CA GLN A 49 -2.117 6.611 5.448 1.00 0.80 C ATOM 779 C GLN A 49 -1.343 7.299 4.377 1.00 0.72 C ATOM 780 O GLN A 49 -1.031 8.485 4.475 1.00 0.83 O ATOM 781 CB GLN A 49 -3.646 6.774 5.457 1.00 1.03 C ATOM 782 CG GLN A 49 -4.164 8.211 5.369 1.00 1.67 C ATOM 783 CD GLN A 49 -4.072 8.927 6.708 1.00 1.92 C ATOM 784 OE1 GLN A 49 -3.744 8.364 7.751 1.00 2.24 O ATOM 785 NE2 GLN A 49 -4.616 10.172 6.634 1.00 2.48 N ATOM 0 H GLN A 49 -2.000 7.815 7.097 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.988 5.554 5.213 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.058 6.208 4.621 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.035 6.323 6.370 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.589 8.760 4.623 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -5.200 8.204 5.031 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.861 10.568 5.727 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -4.779 10.709 7.486 1.00 2.48 H new ATOM 794 N LEU A 50 -0.833 6.560 3.376 1.00 0.69 N ATOM 795 CA LEU A 50 0.217 7.007 2.515 1.00 0.66 C ATOM 796 C LEU A 50 -0.344 7.869 1.436 1.00 0.72 C ATOM 797 O LEU A 50 -1.217 7.533 0.638 1.00 0.90 O ATOM 798 CB LEU A 50 1.154 5.847 2.140 1.00 0.65 C ATOM 799 CG LEU A 50 1.660 5.028 3.340 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.434 3.803 2.822 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.595 5.745 4.327 1.00 0.74 C ATOM 0 H LEU A 50 -1.163 5.620 3.159 1.00 0.69 H new ATOM 0 HA LEU A 50 0.909 7.682 3.019 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.631 5.180 1.455 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.012 6.248 1.601 1.00 0.65 H new ATOM 0 HG LEU A 50 0.750 4.792 3.892 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.796 3.217 3.667 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.774 3.188 2.210 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.281 4.135 2.221 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.878 5.058 5.125 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.490 6.080 3.802 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.081 6.606 4.755 1.00 0.74 H new ATOM 813 N GLU A 51 0.141 9.117 1.314 1.00 0.70 N ATOM 814 CA GLU A 51 -0.286 10.037 0.307 1.00 0.76 C ATOM 815 C GLU A 51 0.380 9.665 -0.973 1.00 0.77 C ATOM 816 O GLU A 51 1.542 9.283 -1.100 1.00 1.23 O ATOM 817 CB GLU A 51 0.097 11.475 0.698 1.00 0.88 C ATOM 818 CG GLU A 51 -0.318 12.610 -0.240 1.00 1.35 C ATOM 819 CD GLU A 51 -1.703 12.701 -0.863 1.00 1.46 C ATOM 820 OE1 GLU A 51 -2.690 12.966 -0.126 1.00 1.94 O ATOM 821 OE2 GLU A 51 -1.864 12.416 -2.080 1.00 1.89 O ATOM 0 H GLU A 51 0.854 9.498 1.936 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.370 9.992 0.198 1.00 0.76 H new ATOM 0 HB2 GLU A 51 -0.331 11.679 1.679 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.181 11.513 0.809 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.164 13.539 0.310 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.394 12.606 -1.066 1.00 1.35 H new ATOM 828 N ASP A 52 -0.444 9.570 -2.033 1.00 0.66 N ATOM 829 CA ASP A 52 -0.237 9.129 -3.377 1.00 0.65 C ATOM 830 C ASP A 52 0.980 9.677 -4.040 1.00 0.60 C ATOM 831 O ASP A 52 1.741 8.930 -4.651 1.00 0.62 O ATOM 832 CB ASP A 52 -1.486 9.437 -4.219 1.00 0.81 C ATOM 833 CG ASP A 52 -2.666 8.752 -3.543 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.686 7.492 -3.546 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.641 9.435 -3.133 1.00 1.44 O ATOM 0 H ASP A 52 -1.417 9.853 -1.917 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.065 8.055 -3.313 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.651 10.513 -4.283 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.362 9.072 -5.239 1.00 0.81 H new ATOM 840 N GLY A 53 1.217 11.000 -3.973 1.00 0.68 N ATOM 841 CA GLY A 53 2.374 11.719 -4.409 1.00 0.73 C ATOM 842 C GLY A 53 3.481 11.841 -3.419 1.00 0.72 C ATOM 843 O GLY A 53 3.945 12.963 -3.224 1.00 0.97 O ATOM 0 H GLY A 53 0.523 11.629 -3.570 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.765 11.231 -5.302 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.064 12.722 -4.703 1.00 0.73 H new ATOM 847 N ARG A 54 3.938 10.756 -2.768 1.00 0.64 N ATOM 848 CA ARG A 54 5.135 10.810 -1.988 1.00 0.63 C ATOM 849 C ARG A 54 5.736 9.530 -2.460 1.00 0.59 C ATOM 850 O ARG A 54 5.079 8.645 -3.007 1.00 0.62 O ATOM 851 CB ARG A 54 4.973 10.726 -0.460 1.00 0.69 C ATOM 852 CG ARG A 54 4.127 11.876 0.089 1.00 0.82 C ATOM 853 CD ARG A 54 4.834 13.232 0.048 1.00 1.18 C ATOM 854 NE ARG A 54 3.862 14.162 0.688 1.00 1.50 N ATOM 855 CZ ARG A 54 2.826 14.671 -0.041 1.00 2.00 C ATOM 856 NH1 ARG A 54 2.796 14.545 -1.400 1.00 2.48 N ATOM 857 NH2 ARG A 54 1.894 15.445 0.587 1.00 2.49 N ATOM 0 H ARG A 54 3.480 9.845 -2.782 1.00 0.64 H new ATOM 0 HA ARG A 54 5.669 11.751 -2.117 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.509 9.776 -0.196 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.956 10.742 0.011 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.202 11.941 -0.484 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.849 11.652 1.119 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.779 13.206 0.590 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.061 13.533 -0.975 1.00 1.18 H new ATOM 0 HE ARG A 54 3.970 14.418 1.669 1.00 1.50 H new ATOM 0 HH11 ARG A 54 3.555 14.065 -1.885 1.00 2.48 H new ATOM 0 HH12 ARG A 54 2.015 14.931 -1.931 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.978 15.635 1.586 1.00 2.49 H new ATOM 0 HH22 ARG A 54 1.113 15.834 0.058 1.00 2.49 H new ATOM 871 N THR A 55 6.990 9.337 -2.015 1.00 0.63 N ATOM 872 CA THR A 55 7.677 8.094 -2.176 1.00 0.61 C ATOM 873 C THR A 55 7.665 7.219 -0.970 1.00 0.59 C ATOM 874 O THR A 55 7.324 7.615 0.144 1.00 0.64 O ATOM 875 CB THR A 55 9.065 8.164 -2.740 1.00 0.68 C ATOM 876 OG1 THR A 55 10.055 8.822 -1.963 1.00 0.75 O ATOM 877 CG2 THR A 55 9.005 8.861 -4.110 1.00 0.76 C ATOM 0 H THR A 55 7.535 10.054 -1.536 1.00 0.63 H new ATOM 0 HA THR A 55 7.061 7.630 -2.946 1.00 0.61 H new ATOM 0 HB THR A 55 9.385 7.123 -2.779 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.676 9.637 -1.572 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.008 8.919 -4.533 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.361 8.291 -4.780 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.603 9.867 -3.989 1.00 0.76 H new ATOM 885 N LEU A 56 8.114 5.979 -1.234 1.00 0.58 N ATOM 886 CA LEU A 56 8.247 4.998 -0.203 1.00 0.59 C ATOM 887 C LEU A 56 9.460 5.302 0.608 1.00 0.64 C ATOM 888 O LEU A 56 9.562 4.943 1.780 1.00 0.70 O ATOM 889 CB LEU A 56 8.251 3.536 -0.682 1.00 0.60 C ATOM 890 CG LEU A 56 6.947 2.902 -1.193 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.364 1.742 -2.113 1.00 1.05 C ATOM 892 CD2 LEU A 56 5.876 2.448 -0.188 1.00 1.03 C ATOM 0 H LEU A 56 8.385 5.656 -2.163 1.00 0.58 H new ATOM 0 HA LEU A 56 7.346 5.073 0.406 1.00 0.59 H new ATOM 0 HB2 LEU A 56 8.988 3.457 -1.481 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.610 2.923 0.144 1.00 0.60 H new ATOM 0 HG LEU A 56 6.410 3.712 -1.686 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.474 1.252 -2.507 1.00 1.05 H new ATOM 0 HD12 LEU A 56 7.961 2.129 -2.939 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.953 1.022 -1.546 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.027 2.026 -0.726 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.297 1.693 0.476 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.543 3.303 0.400 1.00 1.03 H new ATOM 904 N SER A 57 10.392 6.065 0.008 1.00 0.68 N ATOM 905 CA SER A 57 11.571 6.483 0.701 1.00 0.75 C ATOM 906 C SER A 57 11.228 7.550 1.682 1.00 0.76 C ATOM 907 O SER A 57 11.597 7.464 2.852 1.00 0.84 O ATOM 908 CB SER A 57 12.566 7.006 -0.349 1.00 0.84 C ATOM 909 OG SER A 57 13.899 7.192 0.107 1.00 1.19 O ATOM 0 H SER A 57 10.329 6.392 -0.956 1.00 0.68 H new ATOM 0 HA SER A 57 12.014 5.654 1.253 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.582 6.309 -1.187 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.196 7.957 -0.732 1.00 0.84 H new ATOM 0 HG SER A 57 14.454 7.524 -0.630 1.00 1.19 H new ATOM 915 N ASP A 58 10.338 8.508 1.365 1.00 0.75 N ATOM 916 CA ASP A 58 9.841 9.518 2.247 1.00 0.78 C ATOM 917 C ASP A 58 9.211 9.144 3.544 1.00 0.77 C ATOM 918 O ASP A 58 9.362 9.746 4.606 1.00 0.86 O ATOM 919 CB ASP A 58 8.778 10.380 1.545 1.00 0.83 C ATOM 920 CG ASP A 58 9.359 11.253 0.442 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.455 11.791 0.755 1.00 1.86 O ATOM 922 OD2 ASP A 58 8.891 11.276 -0.727 1.00 1.90 O ATOM 0 H ASP A 58 9.940 8.581 0.429 1.00 0.75 H new ATOM 0 HA ASP A 58 10.783 10.006 2.496 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.012 9.730 1.122 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.286 11.014 2.283 1.00 0.83 H new ATOM 927 N TYR A 59 8.405 8.069 3.479 1.00 0.72 N ATOM 928 CA TYR A 59 7.721 7.413 4.549 1.00 0.73 C ATOM 929 C TYR A 59 8.524 6.490 5.400 1.00 0.76 C ATOM 930 O TYR A 59 8.100 5.943 6.417 1.00 0.89 O ATOM 931 CB TYR A 59 6.494 6.659 4.007 1.00 0.73 C ATOM 932 CG TYR A 59 5.461 7.707 3.770 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.875 8.196 4.914 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.917 8.023 2.548 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.842 9.099 4.820 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.873 8.915 2.478 1.00 0.70 C ATOM 937 CZ TYR A 59 3.318 9.473 3.606 1.00 0.74 C ATOM 938 OH TYR A 59 2.118 10.210 3.514 1.00 0.86 O ATOM 0 H TYR A 59 8.215 7.616 2.585 1.00 0.72 H new ATOM 0 HA TYR A 59 7.445 8.230 5.215 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.734 6.128 3.086 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.142 5.915 4.722 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.225 7.872 5.883 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.308 7.573 1.647 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.432 9.525 5.724 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.478 9.185 1.510 1.00 0.70 H new ATOM 0 HH TYR A 59 2.020 10.775 4.308 1.00 0.86 H new ATOM 948 N ASN A 60 9.718 6.120 4.904 1.00 0.74 N ATOM 949 CA ASN A 60 10.744 5.247 5.384 1.00 0.79 C ATOM 950 C ASN A 60 10.357 3.809 5.392 1.00 0.75 C ATOM 951 O ASN A 60 10.456 3.105 6.396 1.00 0.86 O ATOM 952 CB ASN A 60 11.275 5.602 6.783 1.00 0.95 C ATOM 953 CG ASN A 60 12.036 6.919 6.790 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.766 7.856 7.541 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.978 7.033 5.816 1.00 1.83 N ATOM 0 H ASN A 60 10.006 6.508 4.006 1.00 0.74 H new ATOM 0 HA ASN A 60 11.539 5.403 4.655 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.441 5.662 7.482 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.929 4.804 7.135 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.481 7.912 5.694 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.181 6.240 5.208 1.00 1.83 H new ATOM 962 N ILE A 61 9.850 3.239 4.284 1.00 0.67 N ATOM 963 CA ILE A 61 9.499 1.873 4.049 1.00 0.65 C ATOM 964 C ILE A 61 10.727 1.113 3.687 1.00 0.66 C ATOM 965 O ILE A 61 11.433 1.401 2.722 1.00 0.75 O ATOM 966 CB ILE A 61 8.516 1.587 2.953 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.077 2.072 3.199 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.424 0.075 2.686 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.876 3.586 3.247 1.00 0.82 C ATOM 0 H ILE A 61 9.666 3.807 3.457 1.00 0.67 H new ATOM 0 HA ILE A 61 9.020 1.580 4.983 1.00 0.65 H new ATOM 0 HB ILE A 61 8.916 2.149 2.109 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.439 1.666 2.414 1.00 0.70 H new ATOM 0 HG13 ILE A 61 6.729 1.650 4.142 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.706 -0.110 1.888 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.402 -0.302 2.388 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.099 -0.435 3.593 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.824 3.808 3.426 1.00 0.82 H new ATOM 0 HD12 ILE A 61 7.478 4.008 4.052 1.00 0.82 H new ATOM 0 HD13 ILE A 61 7.183 4.024 2.297 1.00 0.82 H new ATOM 981 N GLN A 62 11.009 0.156 4.590 1.00 0.67 N ATOM 982 CA GLN A 62 12.099 -0.763 4.469 1.00 0.70 C ATOM 983 C GLN A 62 11.759 -2.089 3.878 1.00 0.62 C ATOM 984 O GLN A 62 10.592 -2.420 3.679 1.00 0.64 O ATOM 985 CB GLN A 62 12.709 -0.875 5.876 1.00 0.85 C ATOM 986 CG GLN A 62 13.915 0.028 6.139 1.00 1.27 C ATOM 987 CD GLN A 62 13.695 1.415 6.728 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.213 1.549 7.851 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.078 2.484 5.980 1.00 2.16 N ATOM 0 H GLN A 62 10.457 0.017 5.436 1.00 0.67 H new ATOM 0 HA GLN A 62 12.814 -0.377 3.742 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.936 -0.644 6.609 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.007 -1.910 6.043 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.586 -0.509 6.809 1.00 1.27 H new ATOM 0 HG3 GLN A 62 14.442 0.154 5.193 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.475 2.341 5.051 1.00 2.16 H new ATOM 0 HE22 GLN A 62 13.968 3.429 6.348 1.00 2.16 H new ATOM 998 N LYS A 63 12.824 -2.810 3.483 1.00 0.64 N ATOM 999 CA LYS A 63 12.641 -4.133 2.973 1.00 0.62 C ATOM 1000 C LYS A 63 11.865 -5.020 3.883 1.00 0.59 C ATOM 1001 O LYS A 63 12.136 -5.074 5.082 1.00 0.66 O ATOM 1002 CB LYS A 63 13.949 -4.873 2.647 1.00 0.74 C ATOM 1003 CG LYS A 63 14.767 -5.310 3.864 1.00 0.89 C ATOM 1004 CD LYS A 63 16.204 -5.715 3.533 1.00 1.11 C ATOM 1005 CE LYS A 63 16.934 -6.470 4.646 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.437 -5.561 5.701 1.00 2.12 N ATOM 0 H LYS A 63 13.791 -2.486 3.515 1.00 0.64 H new ATOM 0 HA LYS A 63 12.085 -3.949 2.054 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.711 -5.755 2.053 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.569 -4.227 2.025 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.787 -4.495 4.587 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.265 -6.150 4.344 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.194 -6.337 2.638 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.772 -4.817 3.290 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.259 -7.201 5.090 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.769 -7.026 4.219 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.924 -6.115 6.434 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 18.102 -4.879 5.284 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.639 -5.049 6.128 1.00 2.12 H new ATOM 1020 N GLU A 64 10.890 -5.805 3.389 1.00 0.57 N ATOM 1021 CA GLU A 64 10.065 -6.741 4.088 1.00 0.58 C ATOM 1022 C GLU A 64 9.136 -6.232 5.136 1.00 0.56 C ATOM 1023 O GLU A 64 8.788 -6.859 6.134 1.00 0.70 O ATOM 1024 CB GLU A 64 10.978 -7.847 4.643 1.00 0.72 C ATOM 1025 CG GLU A 64 11.460 -8.885 3.627 1.00 0.96 C ATOM 1026 CD GLU A 64 12.313 -9.937 4.323 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.427 -10.006 5.575 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.878 -10.738 3.531 1.00 1.71 O ATOM 0 H GLU A 64 10.658 -5.779 2.396 1.00 0.57 H new ATOM 0 HA GLU A 64 9.356 -7.100 3.342 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.851 -7.378 5.097 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.445 -8.366 5.440 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.605 -9.359 3.145 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.038 -8.397 2.842 1.00 0.96 H new ATOM 1035 N SER A 65 8.617 -5.018 4.875 1.00 0.51 N ATOM 1036 CA SER A 65 7.745 -4.255 5.712 1.00 0.51 C ATOM 1037 C SER A 65 6.295 -4.477 5.450 1.00 0.43 C ATOM 1038 O SER A 65 5.875 -4.680 4.312 1.00 0.50 O ATOM 1039 CB SER A 65 7.981 -2.754 5.478 1.00 0.65 C ATOM 1040 OG SER A 65 9.263 -2.364 5.947 1.00 1.04 O ATOM 0 H SER A 65 8.827 -4.531 4.004 1.00 0.51 H new ATOM 0 HA SER A 65 7.978 -4.581 6.726 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.894 -2.529 4.415 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.211 -2.177 5.990 1.00 0.65 H new ATOM 0 HG SER A 65 9.770 -1.958 5.213 1.00 1.04 H new ATOM 1046 N THR A 66 5.386 -4.267 6.420 1.00 0.45 N ATOM 1047 CA THR A 66 3.990 -4.473 6.196 1.00 0.45 C ATOM 1048 C THR A 66 3.167 -3.249 5.979 1.00 0.43 C ATOM 1049 O THR A 66 2.969 -2.458 6.901 1.00 0.58 O ATOM 1050 CB THR A 66 3.361 -5.184 7.358 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.037 -6.398 7.648 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.940 -5.596 6.940 1.00 0.78 C ATOM 0 H THR A 66 5.620 -3.954 7.362 1.00 0.45 H new ATOM 0 HA THR A 66 3.983 -5.051 5.272 1.00 0.45 H new ATOM 0 HB THR A 66 3.391 -4.519 8.221 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.606 -6.838 8.410 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.455 -6.117 7.765 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.364 -4.707 6.683 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.992 -6.257 6.075 1.00 0.78 H new ATOM 1060 N LEU A 67 2.605 -3.078 4.770 1.00 0.38 N ATOM 1061 CA LEU A 67 1.571 -2.122 4.523 1.00 0.38 C ATOM 1062 C LEU A 67 0.241 -2.728 4.815 1.00 0.37 C ATOM 1063 O LEU A 67 0.079 -3.933 4.632 1.00 0.50 O ATOM 1064 CB LEU A 67 1.519 -1.489 3.123 1.00 0.46 C ATOM 1065 CG LEU A 67 2.890 -1.080 2.558 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.602 -0.369 1.225 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.752 -0.218 3.495 1.00 1.31 C ATOM 0 H LEU A 67 2.875 -3.615 3.946 1.00 0.38 H new ATOM 0 HA LEU A 67 1.822 -1.301 5.194 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.053 -2.195 2.436 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.878 -0.608 3.160 1.00 0.46 H new ATOM 0 HG LEU A 67 3.501 -1.973 2.428 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.541 -0.052 0.771 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.086 -1.054 0.552 1.00 1.40 H new ATOM 0 HD13 LEU A 67 1.974 0.503 1.406 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.697 0.017 3.006 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.224 0.707 3.728 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.947 -0.766 4.417 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.722 -1.914 5.284 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.037 -2.356 5.634 1.00 0.37 C ATOM 1081 C HIS A 68 -3.025 -1.729 4.711 1.00 0.35 C ATOM 1082 O HIS A 68 -3.156 -0.508 4.654 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.443 -2.057 7.086 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.663 -2.819 8.115 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.359 -2.464 8.397 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.013 -3.779 9.012 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.024 -3.154 9.504 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.939 -3.989 9.853 1.00 1.51 N ATOM 0 H HIS A 68 -0.581 -0.914 5.424 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.028 -3.442 5.539 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.322 -0.990 7.272 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.502 -2.284 7.209 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.964 -4.288 9.058 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.967 -3.038 10.017 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.896 -4.670 10.611 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.819 -2.505 3.951 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.722 -1.971 2.979 1.00 0.38 C ATOM 1098 C LEU A 69 -6.089 -1.886 3.565 1.00 0.41 C ATOM 1099 O LEU A 69 -6.572 -2.819 4.205 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.786 -2.950 1.795 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.761 -2.789 0.615 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.602 -1.429 -0.085 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.572 -3.922 -0.407 1.00 1.14 C ATOM 0 H LEU A 69 -3.834 -3.523 4.013 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.382 -0.984 2.665 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.785 -2.978 1.365 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.978 -3.935 2.220 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.768 -2.839 1.029 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.310 -1.360 -0.911 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.797 -0.628 0.628 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.586 -1.334 -0.469 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.271 -3.788 -1.232 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.551 -3.901 -0.789 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.759 -4.882 0.075 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.774 -0.730 3.485 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.097 -0.416 3.926 1.00 0.56 C ATOM 1117 C VAL A 70 -8.803 0.113 2.726 1.00 0.55 C ATOM 1118 O VAL A 70 -8.247 0.522 1.709 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.083 0.567 5.061 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.361 -0.065 6.263 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.434 1.902 4.660 1.00 0.97 C ATOM 0 H VAL A 70 -6.339 0.086 3.055 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.608 -1.293 4.324 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.112 0.797 5.335 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.346 0.643 7.092 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.886 -0.970 6.568 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.338 -0.316 5.982 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.446 2.582 5.511 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.404 1.727 4.349 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -7.992 2.344 3.834 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.145 0.195 2.758 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.959 0.688 1.692 1.00 0.84 C ATOM 1133 C LEU A 71 -11.720 1.880 2.162 1.00 0.85 C ATOM 1134 O LEU A 71 -11.762 2.217 3.344 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.814 -0.495 1.207 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.136 -1.719 0.569 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.190 -2.773 0.188 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.139 -1.315 -0.529 1.00 2.78 C ATOM 0 H LEU A 71 -10.689 -0.098 3.569 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.389 1.049 0.836 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.390 -0.851 2.061 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.528 -0.104 0.482 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.499 -2.218 1.299 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.697 -3.634 -0.263 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.728 -3.089 1.082 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.893 -2.343 -0.525 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.683 -2.209 -0.953 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.663 -0.768 -1.313 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.363 -0.680 -0.100 1.00 2.78 H new ATOM 1150 N ARG A 72 -12.457 2.489 1.216 1.00 0.92 N ATOM 1151 CA ARG A 72 -13.366 3.547 1.532 1.00 1.10 C ATOM 1152 C ARG A 72 -14.787 3.104 1.454 1.00 1.35 C ATOM 1153 O ARG A 72 -15.054 2.056 0.868 1.00 1.56 O ATOM 1154 CB ARG A 72 -13.186 4.739 0.578 1.00 1.34 C ATOM 1155 CG ARG A 72 -11.830 5.433 0.725 1.00 1.65 C ATOM 1156 CD ARG A 72 -11.439 6.487 -0.314 1.00 1.99 C ATOM 1157 NE ARG A 72 -12.117 7.743 0.111 1.00 2.54 N ATOM 1158 CZ ARG A 72 -12.022 8.819 -0.723 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -11.418 8.739 -1.945 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -12.507 10.009 -0.263 1.00 3.75 N ATOM 0 H ARG A 72 -12.423 2.247 0.226 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.136 3.846 2.555 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -13.300 4.393 -0.449 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -13.979 5.464 0.760 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -11.804 5.907 1.706 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -11.060 4.662 0.723 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -10.358 6.619 -0.350 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -11.757 6.189 -1.313 1.00 1.99 H new ATOM 0 HE ARG A 72 -12.632 7.797 0.990 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -11.020 7.854 -2.260 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -11.365 9.564 -2.543 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -12.918 10.066 0.669 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -12.458 10.841 -0.851 1.00 3.75 H new ATOM 1174 N LEU A 73 -15.764 3.972 1.770 1.00 1.54 N ATOM 1175 CA LEU A 73 -17.160 3.763 1.543 1.00 1.93 C ATOM 1176 C LEU A 73 -17.659 4.097 0.179 1.00 2.13 C ATOM 1177 O LEU A 73 -17.555 5.240 -0.264 1.00 2.57 O ATOM 1178 CB LEU A 73 -18.087 4.306 2.644 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.903 3.676 4.035 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.815 4.505 4.955 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -18.180 2.174 4.217 1.00 3.14 C ATOM 0 H LEU A 73 -15.568 4.871 2.209 1.00 1.54 H new ATOM 0 HA LEU A 73 -17.219 2.676 1.604 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -17.931 5.382 2.728 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -19.120 4.157 2.331 1.00 2.23 H new ATOM 0 HG LEU A 73 -16.837 3.709 4.259 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -18.747 4.124 5.974 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -18.500 5.548 4.936 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.846 4.431 4.608 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -18.002 1.894 5.255 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -19.217 1.961 3.956 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -17.518 1.601 3.568 1.00 3.14 H new ATOM 1193 N ARG A 74 -18.132 3.120 -0.614 1.00 2.32 N ATOM 1194 CA ARG A 74 -18.663 3.238 -1.937 1.00 2.55 C ATOM 1195 C ARG A 74 -20.040 3.791 -2.070 1.00 2.58 C ATOM 1196 O ARG A 74 -21.047 3.280 -1.581 1.00 3.08 O ATOM 1197 CB ARG A 74 -18.551 1.955 -2.778 1.00 3.29 C ATOM 1198 CG ARG A 74 -17.123 1.451 -3.000 1.00 4.01 C ATOM 1199 CD ARG A 74 -17.124 0.400 -4.112 1.00 4.67 C ATOM 1200 NE ARG A 74 -17.914 -0.755 -3.602 1.00 5.36 N ATOM 1201 CZ ARG A 74 -18.172 -1.797 -4.446 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -18.084 -1.630 -5.798 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -18.612 -2.949 -3.863 1.00 6.80 N ATOM 0 H ARG A 74 -18.143 2.151 -0.295 1.00 2.32 H new ATOM 0 HA ARG A 74 -17.994 3.998 -2.340 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -19.127 1.168 -2.291 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -19.013 2.133 -3.749 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -16.470 2.281 -3.269 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -16.729 1.022 -2.079 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -17.567 0.801 -5.024 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -16.107 0.096 -4.359 1.00 4.67 H new ATOM 0 HE ARG A 74 -18.256 -0.767 -2.641 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -17.824 -0.722 -6.184 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -18.278 -2.413 -6.422 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -18.731 -2.995 -2.851 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -18.822 -3.764 -4.439 1.00 6.80 H new ATOM 1217 N GLY A 75 -20.072 4.913 -2.811 1.00 2.73 N ATOM 1218 CA GLY A 75 -21.233 5.719 -3.026 1.00 3.22 C ATOM 1219 C GLY A 75 -21.011 7.189 -3.124 1.00 3.16 C ATOM 1220 O GLY A 75 -21.914 7.922 -3.524 1.00 3.57 O ATOM 0 H GLY A 75 -19.245 5.276 -3.284 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -21.716 5.385 -3.944 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -21.933 5.533 -2.212 1.00 3.22 H new ATOM 1224 N GLY A 76 -19.829 7.711 -2.752 1.00 3.14 N ATOM 1225 CA GLY A 76 -19.581 9.107 -2.938 1.00 3.37 C ATOM 1226 C GLY A 76 -18.288 9.570 -2.282 1.00 3.48 C ATOM 1227 O GLY A 76 -17.468 8.745 -1.796 1.00 3.87 O ATOM 1228 OXT GLY A 76 -18.022 10.802 -2.267 1.00 3.70 O ATOM 0 H GLY A 76 -19.063 7.183 -2.333 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -19.540 9.325 -4.005 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -20.415 9.677 -2.529 1.00 3.37 H new TER 1232 GLY A 76