USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 22 THR OG1 : rot 180:sc= 0.638 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.703 K(o=1.3,f=0.15) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -140:sc= 0.971 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 110:sc= 0.918 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.07 (180deg=0.983) USER MOD Single : A 2 GLN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.38 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 1.08 (180deg=0.0915!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0842 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 2.25 (180deg=2.08) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.03) USER MOD Single : A 31 GLN : amide:sc= -1.37 K(o=-1.4,f=-6.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.591 K(o=-0.59,f=-3.6!) USER MOD Single : A 41 GLN : amide:sc= 1.67 K(o=1.7,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00266 K(o=-0.0027,f=-3!) USER MOD Single : A 55 THR OG1 : rot -62:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.443 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 1.31 (180deg=0.801) USER MOD Single : A 65 SER OG : rot 154:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0721 K(o=0.072,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.437 -4.906 -4.175 1.00 0.78 N ATOM 2 CA MET A 1 13.036 -5.393 -2.837 1.00 0.70 C ATOM 3 C MET A 1 11.599 -5.750 -2.669 1.00 0.62 C ATOM 4 O MET A 1 10.806 -5.128 -3.374 1.00 0.68 O ATOM 5 CB MET A 1 13.424 -4.318 -1.806 1.00 0.75 C ATOM 6 CG MET A 1 12.559 -3.074 -1.595 1.00 0.79 C ATOM 7 SD MET A 1 13.115 -1.914 -0.311 1.00 1.10 S ATOM 8 CE MET A 1 11.629 -0.888 -0.115 1.00 0.84 C ATOM 0 H1 MET A 1 14.412 -4.546 -4.136 1.00 0.78 H new ATOM 0 H2 MET A 1 13.384 -5.687 -4.859 1.00 0.78 H new ATOM 0 H3 MET A 1 12.798 -4.141 -4.472 1.00 0.78 H new ATOM 0 HA MET A 1 13.564 -6.336 -2.691 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.504 -4.817 -0.840 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.423 -3.970 -2.069 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.499 -2.535 -2.540 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.548 -3.398 -1.348 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.811 -0.125 0.642 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.391 -0.408 -1.064 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.793 -1.514 0.195 1.00 0.84 H new ATOM 20 N GLN A 2 11.178 -6.691 -1.805 1.00 0.59 N ATOM 21 CA GLN A 2 9.820 -7.093 -1.609 1.00 0.56 C ATOM 22 C GLN A 2 9.239 -6.372 -0.441 1.00 0.50 C ATOM 23 O GLN A 2 9.837 -6.316 0.632 1.00 0.60 O ATOM 24 CB GLN A 2 9.730 -8.620 -1.461 1.00 0.71 C ATOM 25 CG GLN A 2 9.738 -9.300 -0.090 1.00 1.15 C ATOM 26 CD GLN A 2 9.953 -10.806 -0.110 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.483 -11.418 0.817 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.681 -11.458 -1.273 1.00 1.72 N ATOM 0 H GLN A 2 11.827 -7.202 -1.207 1.00 0.59 H new ATOM 0 HA GLN A 2 9.229 -6.823 -2.484 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.814 -8.932 -1.962 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.561 -9.041 -2.026 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.521 -8.846 0.517 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.790 -9.092 0.406 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.242 -10.959 -2.047 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.916 -12.446 -1.371 1.00 1.72 H new ATOM 37 N ILE A 3 7.982 -5.909 -0.562 1.00 0.44 N ATOM 38 CA ILE A 3 7.256 -5.436 0.576 1.00 0.42 C ATOM 39 C ILE A 3 6.008 -6.249 0.578 1.00 0.40 C ATOM 40 O ILE A 3 5.711 -6.985 -0.362 1.00 0.50 O ATOM 41 CB ILE A 3 6.931 -3.976 0.446 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.199 -3.726 -0.883 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.275 -3.245 0.602 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.133 -2.631 -0.858 1.00 0.72 C ATOM 0 H ILE A 3 7.470 -5.862 -1.443 1.00 0.44 H new ATOM 0 HA ILE A 3 7.828 -5.536 1.498 1.00 0.42 H new ATOM 0 HB ILE A 3 6.243 -3.601 1.204 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.939 -3.470 -1.641 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.729 -4.658 -1.198 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.116 -2.170 0.518 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.702 -3.474 1.578 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.960 -3.573 -0.180 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.682 -2.540 -1.846 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.364 -2.889 -0.130 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.592 -1.682 -0.580 1.00 0.72 H new ATOM 56 N PHE A 4 5.206 -6.154 1.653 1.00 0.37 N ATOM 57 CA PHE A 4 3.997 -6.854 1.958 1.00 0.38 C ATOM 58 C PHE A 4 2.920 -5.833 2.079 1.00 0.39 C ATOM 59 O PHE A 4 3.204 -4.680 2.404 1.00 0.60 O ATOM 60 CB PHE A 4 4.087 -7.673 3.255 1.00 0.45 C ATOM 61 CG PHE A 4 5.185 -8.680 3.298 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.457 -9.486 2.218 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.826 -8.987 4.475 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.536 -10.334 2.290 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.955 -9.771 4.537 1.00 1.40 C ATOM 66 CZ PHE A 4 7.307 -10.489 3.418 1.00 0.85 C ATOM 0 H PHE A 4 5.439 -5.501 2.401 1.00 0.37 H new ATOM 0 HA PHE A 4 3.795 -7.571 1.163 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.214 -6.985 4.091 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.138 -8.188 3.407 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.837 -9.454 1.334 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.423 -8.593 5.397 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.792 -10.910 1.413 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.548 -9.821 5.438 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.160 -11.152 3.425 1.00 0.85 H new ATOM 76 N VAL A 5 1.700 -6.243 1.684 1.00 0.35 N ATOM 77 CA VAL A 5 0.477 -5.526 1.872 1.00 0.35 C ATOM 78 C VAL A 5 -0.449 -6.578 2.377 1.00 0.35 C ATOM 79 O VAL A 5 -0.485 -7.685 1.843 1.00 0.46 O ATOM 80 CB VAL A 5 0.060 -4.813 0.620 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.165 -3.973 1.020 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.145 -3.906 0.014 1.00 0.56 C ATOM 0 H VAL A 5 1.561 -7.132 1.203 1.00 0.35 H new ATOM 0 HA VAL A 5 0.527 -4.699 2.580 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.148 -5.547 -0.159 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.527 -3.421 0.152 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.953 -4.631 1.387 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.884 -3.271 1.805 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.759 -3.430 -0.888 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.425 -3.140 0.737 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.021 -4.504 -0.238 1.00 0.56 H new ATOM 92 N LYS A 6 -1.278 -6.257 3.388 1.00 0.36 N ATOM 93 CA LYS A 6 -2.269 -7.094 3.989 1.00 0.39 C ATOM 94 C LYS A 6 -3.602 -6.546 3.610 1.00 0.46 C ATOM 95 O LYS A 6 -3.830 -5.352 3.796 1.00 0.53 O ATOM 96 CB LYS A 6 -1.948 -7.229 5.488 1.00 0.54 C ATOM 97 CG LYS A 6 -2.791 -8.246 6.261 1.00 1.22 C ATOM 98 CD LYS A 6 -2.267 -9.668 6.054 1.00 1.37 C ATOM 99 CE LYS A 6 -0.968 -9.986 6.799 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.613 -11.417 6.671 1.00 2.09 N ATOM 0 H LYS A 6 -1.250 -5.333 3.819 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.278 -8.124 3.633 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.898 -7.502 5.592 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.072 -6.252 5.956 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.778 -8.001 7.323 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.829 -8.186 5.933 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -3.035 -10.373 6.373 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.108 -9.830 4.988 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.159 -9.371 6.404 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.078 -9.729 7.853 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.246 -11.766 7.579 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.458 -11.962 6.406 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.116 -11.530 5.937 1.00 2.09 H new ATOM 114 N THR A 7 -4.502 -7.413 3.112 1.00 0.58 N ATOM 115 CA THR A 7 -5.850 -7.049 2.805 1.00 0.78 C ATOM 116 C THR A 7 -6.719 -7.058 4.015 1.00 0.94 C ATOM 117 O THR A 7 -6.212 -7.197 5.127 1.00 0.99 O ATOM 118 CB THR A 7 -6.396 -7.955 1.743 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.481 -9.300 2.192 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.387 -7.997 0.582 1.00 0.92 C ATOM 0 H THR A 7 -4.287 -8.391 2.918 1.00 0.58 H new ATOM 0 HA THR A 7 -5.844 -6.026 2.428 1.00 0.78 H new ATOM 0 HB THR A 7 -7.380 -7.576 1.466 1.00 0.90 H new ATOM 0 HG1 THR A 7 -6.842 -9.862 1.475 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.764 -8.651 -0.204 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.250 -6.992 0.183 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.432 -8.377 0.944 1.00 0.92 H new ATOM 128 N LEU A 8 -8.027 -6.798 3.847 1.00 1.17 N ATOM 129 CA LEU A 8 -9.072 -6.753 4.823 1.00 1.39 C ATOM 130 C LEU A 8 -9.216 -8.041 5.558 1.00 1.44 C ATOM 131 O LEU A 8 -9.177 -8.059 6.787 1.00 1.60 O ATOM 132 CB LEU A 8 -10.425 -6.451 4.159 1.00 1.66 C ATOM 133 CG LEU A 8 -10.465 -5.292 3.148 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.817 -5.214 2.417 1.00 2.53 C ATOM 135 CD2 LEU A 8 -10.080 -3.973 3.838 1.00 2.43 C ATOM 0 H LEU A 8 -8.392 -6.596 2.916 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.794 -5.965 5.523 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.762 -7.355 3.651 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.148 -6.239 4.946 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.724 -5.483 2.372 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.802 -4.382 1.713 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.993 -6.144 1.876 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.615 -5.060 3.143 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -10.112 -3.160 3.113 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.782 -3.766 4.646 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -9.073 -4.056 4.246 1.00 2.43 H new ATOM 147 N THR A 9 -9.256 -9.217 4.907 1.00 1.41 N ATOM 148 CA THR A 9 -9.546 -10.480 5.511 1.00 1.51 C ATOM 149 C THR A 9 -8.244 -11.037 5.975 1.00 1.37 C ATOM 150 O THR A 9 -8.264 -11.675 7.025 1.00 1.62 O ATOM 151 CB THR A 9 -10.193 -11.519 4.644 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.368 -11.729 3.508 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.498 -10.933 4.078 1.00 2.08 C ATOM 0 H THR A 9 -9.076 -9.290 3.906 1.00 1.41 H new ATOM 0 HA THR A 9 -10.277 -10.272 6.292 1.00 1.51 H new ATOM 0 HB THR A 9 -10.354 -12.428 5.223 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.775 -12.407 2.929 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.985 -11.674 3.444 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.163 -10.665 4.899 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.272 -10.044 3.489 1.00 2.08 H new ATOM 161 N GLY A 10 -7.139 -10.818 5.240 1.00 1.18 N ATOM 162 CA GLY A 10 -5.908 -11.391 5.690 1.00 1.22 C ATOM 163 C GLY A 10 -4.874 -11.803 4.700 1.00 0.99 C ATOM 164 O GLY A 10 -3.833 -12.359 5.047 1.00 1.31 O ATOM 0 H GLY A 10 -7.093 -10.274 4.378 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.443 -10.672 6.365 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.157 -12.270 6.284 1.00 1.22 H new ATOM 168 N LYS A 11 -4.956 -11.582 3.376 1.00 0.73 N ATOM 169 CA LYS A 11 -4.059 -12.043 2.362 1.00 0.60 C ATOM 170 C LYS A 11 -2.923 -11.084 2.250 1.00 0.51 C ATOM 171 O LYS A 11 -3.039 -9.879 2.036 1.00 0.63 O ATOM 172 CB LYS A 11 -4.810 -12.140 1.024 1.00 0.75 C ATOM 173 CG LYS A 11 -4.173 -13.064 -0.016 1.00 0.87 C ATOM 174 CD LYS A 11 -4.772 -12.997 -1.423 1.00 1.04 C ATOM 175 CE LYS A 11 -4.913 -11.685 -2.197 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.937 -11.881 -3.246 1.00 1.40 N ATOM 0 H LYS A 11 -5.719 -11.031 2.982 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.673 -13.029 2.620 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.825 -12.485 1.220 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.890 -11.140 0.597 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.111 -12.828 -0.082 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.249 -14.091 0.342 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.177 -13.664 -2.047 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.771 -13.429 -1.357 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.204 -10.876 -1.527 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.960 -11.401 -2.643 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.393 -10.971 -3.460 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.486 -12.253 -4.106 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.653 -12.557 -2.910 1.00 1.40 H new ATOM 190 N THR A 12 -1.698 -11.629 2.364 1.00 0.49 N ATOM 191 CA THR A 12 -0.448 -10.960 2.176 1.00 0.48 C ATOM 192 C THR A 12 -0.114 -10.936 0.724 1.00 0.52 C ATOM 193 O THR A 12 0.048 -11.931 0.020 1.00 0.72 O ATOM 194 CB THR A 12 0.829 -11.427 2.808 1.00 0.64 C ATOM 195 OG1 THR A 12 0.652 -11.491 4.216 1.00 0.77 O ATOM 196 CG2 THR A 12 2.122 -10.616 2.619 1.00 0.78 C ATOM 0 H THR A 12 -1.574 -12.612 2.606 1.00 0.49 H new ATOM 0 HA THR A 12 -0.694 -10.030 2.689 1.00 0.48 H new ATOM 0 HB THR A 12 0.989 -12.367 2.279 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.642 -12.428 4.502 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.940 -11.106 3.147 1.00 0.78 H new ATOM 0 HG22 THR A 12 2.361 -10.555 1.557 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.983 -9.611 3.018 1.00 0.78 H new ATOM 204 N ILE A 13 -0.095 -9.692 0.212 1.00 0.48 N ATOM 205 CA ILE A 13 0.265 -9.447 -1.150 1.00 0.55 C ATOM 206 C ILE A 13 1.697 -9.039 -1.120 1.00 0.51 C ATOM 207 O ILE A 13 2.109 -7.971 -0.669 1.00 0.56 O ATOM 208 CB ILE A 13 -0.511 -8.481 -1.996 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.993 -8.462 -1.587 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.288 -8.773 -3.489 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.817 -7.518 -2.461 1.00 1.55 C ATOM 0 H ILE A 13 -0.330 -8.854 0.743 1.00 0.48 H new ATOM 0 HA ILE A 13 0.024 -10.379 -1.661 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.140 -7.471 -1.822 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.401 -9.470 -1.658 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.077 -8.156 -0.544 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.858 -8.063 -4.088 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.772 -8.677 -3.724 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.619 -9.787 -3.715 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.857 -7.537 -2.136 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.427 -6.504 -2.370 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.756 -7.839 -3.501 1.00 1.55 H new ATOM 223 N THR A 14 2.579 -9.837 -1.748 1.00 0.55 N ATOM 224 CA THR A 14 3.971 -9.591 -1.967 1.00 0.54 C ATOM 225 C THR A 14 4.323 -8.814 -3.188 1.00 0.55 C ATOM 226 O THR A 14 4.212 -9.342 -4.293 1.00 0.72 O ATOM 227 CB THR A 14 4.808 -10.836 -1.935 1.00 0.67 C ATOM 228 OG1 THR A 14 4.471 -11.714 -0.870 1.00 1.08 O ATOM 229 CG2 THR A 14 6.295 -10.448 -1.865 1.00 1.03 C ATOM 0 H THR A 14 2.290 -10.735 -2.137 1.00 0.55 H new ATOM 0 HA THR A 14 4.208 -8.956 -1.113 1.00 0.54 H new ATOM 0 HB THR A 14 4.604 -11.387 -2.853 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.048 -12.505 -0.903 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.906 -11.350 -1.842 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.558 -9.855 -2.741 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.476 -9.864 -0.963 1.00 1.03 H new ATOM 237 N LEU A 15 4.714 -7.532 -3.074 1.00 0.50 N ATOM 238 CA LEU A 15 5.060 -6.709 -4.190 1.00 0.55 C ATOM 239 C LEU A 15 6.501 -6.328 -4.218 1.00 0.52 C ATOM 240 O LEU A 15 6.917 -5.633 -3.292 1.00 0.58 O ATOM 241 CB LEU A 15 4.181 -5.449 -4.136 1.00 0.69 C ATOM 242 CG LEU A 15 2.675 -5.755 -4.047 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.981 -4.421 -3.719 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.093 -6.299 -5.361 1.00 1.55 C ATOM 0 H LEU A 15 4.792 -7.053 -2.177 1.00 0.50 H new ATOM 0 HA LEU A 15 4.885 -7.280 -5.102 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.473 -4.848 -3.275 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.369 -4.846 -5.024 1.00 0.69 H new ATOM 0 HG LEU A 15 2.514 -6.524 -3.291 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.905 -4.579 -3.644 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.359 -4.038 -2.771 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.187 -3.700 -4.510 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.028 -6.495 -5.234 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.234 -5.564 -6.153 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.603 -7.224 -5.629 1.00 1.55 H new ATOM 256 N GLU A 16 7.279 -6.753 -5.229 1.00 0.59 N ATOM 257 CA GLU A 16 8.616 -6.290 -5.438 1.00 0.63 C ATOM 258 C GLU A 16 8.633 -4.855 -5.841 1.00 0.65 C ATOM 259 O GLU A 16 8.145 -4.453 -6.897 1.00 0.81 O ATOM 260 CB GLU A 16 9.564 -7.206 -6.230 1.00 0.76 C ATOM 261 CG GLU A 16 9.065 -7.588 -7.626 1.00 1.41 C ATOM 262 CD GLU A 16 7.908 -8.575 -7.557 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.074 -9.716 -7.048 1.00 1.92 O ATOM 264 OE2 GLU A 16 6.747 -8.262 -7.933 1.00 1.95 O ATOM 0 H GLU A 16 6.970 -7.437 -5.920 1.00 0.59 H new ATOM 0 HA GLU A 16 9.087 -6.356 -4.457 1.00 0.63 H new ATOM 0 HB2 GLU A 16 10.530 -6.710 -6.327 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.730 -8.118 -5.656 1.00 0.76 H new ATOM 0 HG2 GLU A 16 8.748 -6.691 -8.158 1.00 1.41 H new ATOM 0 HG3 GLU A 16 9.883 -8.025 -8.198 1.00 1.41 H new ATOM 271 N VAL A 17 9.132 -3.927 -5.006 1.00 0.61 N ATOM 272 CA VAL A 17 9.258 -2.515 -5.189 1.00 0.63 C ATOM 273 C VAL A 17 10.676 -2.059 -5.180 1.00 0.65 C ATOM 274 O VAL A 17 11.547 -2.854 -4.829 1.00 0.76 O ATOM 275 CB VAL A 17 8.439 -1.765 -4.181 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.960 -2.181 -4.250 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.977 -2.042 -2.767 1.00 0.92 C ATOM 0 H VAL A 17 9.490 -4.205 -4.092 1.00 0.61 H new ATOM 0 HA VAL A 17 8.867 -2.291 -6.182 1.00 0.63 H new ATOM 0 HB VAL A 17 8.513 -0.701 -4.407 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.390 -1.622 -3.508 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.568 -1.969 -5.245 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.872 -3.248 -4.046 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.380 -1.496 -2.037 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.918 -3.110 -2.558 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.015 -1.717 -2.703 1.00 0.92 H new ATOM 287 N GLU A 18 11.014 -0.807 -5.536 1.00 0.68 N ATOM 288 CA GLU A 18 12.249 -0.182 -5.177 1.00 0.74 C ATOM 289 C GLU A 18 11.954 0.936 -4.236 1.00 0.71 C ATOM 290 O GLU A 18 10.781 1.275 -4.085 1.00 0.74 O ATOM 291 CB GLU A 18 12.859 0.405 -6.460 1.00 0.88 C ATOM 292 CG GLU A 18 12.922 -0.601 -7.611 1.00 1.16 C ATOM 293 CD GLU A 18 13.902 -1.688 -7.196 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.730 -1.518 -6.261 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.003 -2.739 -7.884 1.00 2.35 O ATOM 0 H GLU A 18 10.405 -0.208 -6.094 1.00 0.68 H new ATOM 0 HA GLU A 18 12.930 -0.894 -4.711 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.271 1.268 -6.772 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.865 0.765 -6.245 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.937 -1.024 -7.808 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.250 -0.116 -8.530 1.00 1.16 H new ATOM 302 N PRO A 19 12.849 1.537 -3.510 1.00 0.74 N ATOM 303 CA PRO A 19 12.496 2.500 -2.507 1.00 0.74 C ATOM 304 C PRO A 19 11.897 3.753 -3.044 1.00 0.70 C ATOM 305 O PRO A 19 11.179 4.497 -2.377 1.00 0.74 O ATOM 306 CB PRO A 19 13.835 2.823 -1.849 1.00 0.86 C ATOM 307 CG PRO A 19 14.591 1.492 -1.981 1.00 0.95 C ATOM 308 CD PRO A 19 14.236 1.104 -3.425 1.00 0.82 C ATOM 0 HA PRO A 19 11.733 2.096 -1.842 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.352 3.637 -2.357 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.715 3.122 -0.808 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.665 1.610 -1.837 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.252 0.750 -1.258 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.869 1.611 -4.153 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.343 0.033 -3.600 1.00 0.82 H new ATOM 316 N SER A 20 12.328 4.029 -4.288 1.00 0.70 N ATOM 317 CA SER A 20 11.978 5.083 -5.189 1.00 0.74 C ATOM 318 C SER A 20 10.696 5.007 -5.943 1.00 0.71 C ATOM 319 O SER A 20 10.393 5.817 -6.817 1.00 0.80 O ATOM 320 CB SER A 20 13.232 5.422 -6.013 1.00 0.89 C ATOM 321 OG SER A 20 13.773 4.234 -6.569 1.00 1.45 O ATOM 0 H SER A 20 13.024 3.420 -4.719 1.00 0.70 H new ATOM 0 HA SER A 20 11.680 5.932 -4.573 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.979 6.124 -6.807 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.974 5.910 -5.381 1.00 0.89 H new ATOM 0 HG SER A 20 14.571 4.453 -7.095 1.00 1.45 H new ATOM 327 N ASP A 21 9.915 3.936 -5.711 1.00 0.70 N ATOM 328 CA ASP A 21 8.628 3.856 -6.329 1.00 0.73 C ATOM 329 C ASP A 21 7.688 4.685 -5.524 1.00 0.64 C ATOM 330 O ASP A 21 7.765 4.674 -4.297 1.00 0.66 O ATOM 331 CB ASP A 21 8.054 2.433 -6.225 1.00 0.87 C ATOM 332 CG ASP A 21 8.787 1.607 -7.273 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.235 1.998 -8.385 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.954 0.391 -6.991 1.00 1.50 O ATOM 0 H ASP A 21 10.164 3.147 -5.114 1.00 0.70 H new ATOM 0 HA ASP A 21 8.732 4.168 -7.368 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.208 2.022 -5.227 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.980 2.431 -6.408 1.00 0.87 H new ATOM 339 N THR A 22 6.732 5.378 -6.169 1.00 0.63 N ATOM 340 CA THR A 22 5.774 6.187 -5.481 1.00 0.58 C ATOM 341 C THR A 22 4.750 5.310 -4.844 1.00 0.53 C ATOM 342 O THR A 22 4.654 4.123 -5.148 1.00 0.58 O ATOM 343 CB THR A 22 5.085 7.257 -6.275 1.00 0.63 C ATOM 344 OG1 THR A 22 4.366 6.756 -7.390 1.00 0.70 O ATOM 345 CG2 THR A 22 6.188 8.101 -6.938 1.00 0.75 C ATOM 0 H THR A 22 6.622 5.377 -7.183 1.00 0.63 H new ATOM 0 HA THR A 22 6.369 6.737 -4.752 1.00 0.58 H new ATOM 0 HB THR A 22 4.416 7.775 -5.588 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.939 7.499 -7.865 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.732 8.896 -7.529 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.823 8.540 -6.168 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.791 7.466 -7.587 1.00 0.75 H new ATOM 353 N ILE A 23 3.900 5.838 -3.945 1.00 0.51 N ATOM 354 CA ILE A 23 2.819 5.141 -3.320 1.00 0.48 C ATOM 355 C ILE A 23 1.695 4.774 -4.225 1.00 0.48 C ATOM 356 O ILE A 23 1.220 3.639 -4.241 1.00 0.51 O ATOM 357 CB ILE A 23 2.462 5.963 -2.116 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.597 6.110 -1.088 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.160 5.523 -1.426 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.020 4.785 -0.457 1.00 0.73 C ATOM 0 H ILE A 23 3.972 6.808 -3.637 1.00 0.51 H new ATOM 0 HA ILE A 23 3.120 4.140 -3.012 1.00 0.48 H new ATOM 0 HB ILE A 23 2.289 6.953 -2.538 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.460 6.564 -1.574 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.278 6.793 -0.301 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.970 6.164 -0.565 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.331 5.603 -2.129 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.256 4.489 -1.094 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.824 4.963 0.258 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.169 4.339 0.057 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.370 4.107 -1.235 1.00 0.73 H new ATOM 372 N GLU A 24 1.453 5.725 -5.145 1.00 0.50 N ATOM 373 CA GLU A 24 0.701 5.548 -6.349 1.00 0.53 C ATOM 374 C GLU A 24 1.112 4.364 -7.156 1.00 0.50 C ATOM 375 O GLU A 24 0.254 3.654 -7.677 1.00 0.55 O ATOM 376 CB GLU A 24 0.804 6.864 -7.139 1.00 0.64 C ATOM 377 CG GLU A 24 -0.275 7.089 -8.199 1.00 0.95 C ATOM 378 CD GLU A 24 -0.067 8.379 -8.979 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.000 8.463 -9.644 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.872 9.348 -8.948 1.00 1.56 O ATOM 0 H GLU A 24 1.805 6.677 -5.041 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.336 5.327 -6.094 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.772 7.694 -6.433 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.778 6.898 -7.626 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.281 6.247 -8.891 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.253 7.113 -7.718 1.00 0.95 H new ATOM 387 N ASN A 25 2.420 4.111 -7.338 1.00 0.51 N ATOM 388 CA ASN A 25 2.811 2.929 -8.041 1.00 0.52 C ATOM 389 C ASN A 25 2.609 1.673 -7.267 1.00 0.47 C ATOM 390 O ASN A 25 2.395 0.627 -7.877 1.00 0.53 O ATOM 391 CB ASN A 25 4.261 2.972 -8.550 1.00 0.64 C ATOM 392 CG ASN A 25 4.309 3.720 -9.874 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.397 3.163 -10.967 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.362 5.078 -9.799 1.00 1.57 N ATOM 0 H ASN A 25 3.184 4.702 -7.011 1.00 0.51 H new ATOM 0 HA ASN A 25 2.138 2.915 -8.898 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.901 3.465 -7.818 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.644 1.959 -8.678 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.474 5.632 -10.648 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.289 5.542 -8.894 1.00 1.57 H new ATOM 401 N VAL A 26 2.646 1.609 -5.923 1.00 0.45 N ATOM 402 CA VAL A 26 2.265 0.458 -5.164 1.00 0.44 C ATOM 403 C VAL A 26 0.791 0.239 -5.182 1.00 0.40 C ATOM 404 O VAL A 26 0.355 -0.904 -5.303 1.00 0.44 O ATOM 405 CB VAL A 26 2.833 0.592 -3.783 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.647 -0.645 -2.887 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.358 0.769 -3.882 1.00 0.62 C ATOM 0 H VAL A 26 2.953 2.390 -5.343 1.00 0.45 H new ATOM 0 HA VAL A 26 2.679 -0.442 -5.620 1.00 0.44 H new ATOM 0 HB VAL A 26 2.300 1.436 -3.346 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.089 -0.456 -1.909 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.583 -0.853 -2.770 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.137 -1.504 -3.346 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.779 0.867 -2.881 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.794 -0.100 -4.375 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.584 1.665 -4.460 1.00 0.62 H new ATOM 417 N LYS A 27 0.030 1.348 -5.186 1.00 0.40 N ATOM 418 CA LYS A 27 -1.387 1.260 -5.359 1.00 0.41 C ATOM 419 C LYS A 27 -1.683 0.826 -6.753 1.00 0.38 C ATOM 420 O LYS A 27 -2.483 -0.087 -6.952 1.00 0.42 O ATOM 421 CB LYS A 27 -2.136 2.594 -5.193 1.00 0.51 C ATOM 422 CG LYS A 27 -2.093 3.127 -3.760 1.00 0.76 C ATOM 423 CD LYS A 27 -2.723 4.505 -3.547 1.00 0.82 C ATOM 424 CE LYS A 27 -3.517 4.665 -2.249 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.484 5.777 -2.381 1.00 1.11 N ATOM 0 H LYS A 27 0.390 2.295 -5.071 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.720 0.565 -4.588 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.701 3.335 -5.864 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.175 2.461 -5.495 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.598 2.412 -3.110 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.052 3.170 -3.439 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -1.932 5.255 -3.565 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.384 4.718 -4.387 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.044 3.739 -2.019 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.838 4.860 -1.419 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.959 5.934 -1.469 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.981 6.643 -2.663 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.192 5.537 -3.104 1.00 1.11 H new ATOM 439 N ALA A 28 -0.909 1.242 -7.771 1.00 0.39 N ATOM 440 CA ALA A 28 -0.995 0.779 -9.122 1.00 0.39 C ATOM 441 C ALA A 28 -0.708 -0.675 -9.257 1.00 0.36 C ATOM 442 O ALA A 28 -1.354 -1.354 -10.054 1.00 0.42 O ATOM 443 CB ALA A 28 0.012 1.485 -10.046 1.00 0.51 C ATOM 0 H ALA A 28 -0.180 1.943 -7.643 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.023 0.999 -9.409 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.092 1.099 -11.060 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.182 2.558 -10.044 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.025 1.299 -9.690 1.00 0.51 H new ATOM 449 N LYS A 29 0.283 -1.257 -8.556 1.00 0.39 N ATOM 450 CA LYS A 29 0.499 -2.668 -8.492 1.00 0.43 C ATOM 451 C LYS A 29 -0.620 -3.464 -7.911 1.00 0.44 C ATOM 452 O LYS A 29 -0.938 -4.523 -8.450 1.00 0.54 O ATOM 453 CB LYS A 29 1.817 -3.094 -7.824 1.00 0.54 C ATOM 454 CG LYS A 29 3.099 -2.608 -8.501 1.00 0.65 C ATOM 455 CD LYS A 29 4.397 -2.596 -7.692 1.00 1.08 C ATOM 456 CE LYS A 29 5.312 -1.413 -8.008 1.00 1.24 C ATOM 457 NZ LYS A 29 5.690 -1.421 -9.439 1.00 1.44 N ATOM 0 H LYS A 29 0.960 -0.722 -8.012 1.00 0.39 H new ATOM 0 HA LYS A 29 0.560 -2.909 -9.553 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.813 -2.733 -6.796 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.843 -4.183 -7.779 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.264 -3.229 -9.381 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.921 -1.593 -8.856 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.152 -2.580 -6.630 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.939 -3.523 -7.880 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.806 -0.479 -7.764 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.207 -1.462 -7.388 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.391 -0.673 -9.617 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.099 -2.345 -9.685 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.846 -1.250 -10.022 1.00 1.44 H new ATOM 471 N ILE A 30 -1.292 -3.059 -6.818 1.00 0.41 N ATOM 472 CA ILE A 30 -2.520 -3.610 -6.337 1.00 0.44 C ATOM 473 C ILE A 30 -3.622 -3.525 -7.337 1.00 0.45 C ATOM 474 O ILE A 30 -4.471 -4.406 -7.464 1.00 0.56 O ATOM 475 CB ILE A 30 -2.848 -3.045 -4.987 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.736 -3.500 -4.026 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.177 -3.588 -4.436 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.560 -2.542 -2.849 1.00 1.32 C ATOM 0 H ILE A 30 -0.953 -2.296 -6.232 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.390 -4.683 -6.196 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.930 -1.962 -5.074 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.969 -4.496 -3.649 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.796 -3.578 -4.572 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.371 -3.150 -3.457 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.987 -3.327 -5.117 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.116 -4.672 -4.343 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.764 -2.906 -2.199 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.299 -1.551 -3.222 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.491 -2.484 -2.285 1.00 1.32 H new ATOM 490 N GLN A 31 -3.656 -2.427 -8.114 1.00 0.41 N ATOM 491 CA GLN A 31 -4.614 -2.255 -9.161 1.00 0.48 C ATOM 492 C GLN A 31 -4.520 -3.290 -10.228 1.00 0.52 C ATOM 493 O GLN A 31 -5.545 -3.830 -10.642 1.00 0.66 O ATOM 494 CB GLN A 31 -4.458 -0.813 -9.670 1.00 0.52 C ATOM 495 CG GLN A 31 -5.707 -0.400 -10.451 1.00 0.70 C ATOM 496 CD GLN A 31 -5.513 0.810 -11.356 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.193 1.821 -11.189 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.760 0.663 -12.479 1.00 1.43 N ATOM 0 H GLN A 31 -3.008 -1.646 -8.013 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.624 -2.404 -8.780 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.303 -0.136 -8.830 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.577 -0.736 -10.308 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.036 -1.243 -11.058 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.508 -0.185 -9.744 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.199 -0.179 -12.610 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.757 1.394 -13.190 1.00 1.43 H new ATOM 507 N ASP A 32 -3.318 -3.715 -10.656 1.00 0.50 N ATOM 508 CA ASP A 32 -3.060 -4.909 -11.399 1.00 0.60 C ATOM 509 C ASP A 32 -3.387 -6.234 -10.803 1.00 0.65 C ATOM 510 O ASP A 32 -3.798 -7.131 -11.537 1.00 0.81 O ATOM 511 CB ASP A 32 -1.595 -4.961 -11.867 1.00 0.67 C ATOM 512 CG ASP A 32 -1.610 -4.399 -13.282 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.864 -3.188 -13.523 1.00 1.55 O ATOM 514 OD2 ASP A 32 -1.223 -5.181 -14.190 1.00 1.51 O ATOM 0 H ASP A 32 -2.467 -3.186 -10.469 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.783 -4.793 -12.206 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.952 -4.370 -11.215 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.212 -5.982 -11.852 1.00 0.67 H new ATOM 519 N LYS A 33 -3.136 -6.460 -9.501 1.00 0.62 N ATOM 520 CA LYS A 33 -3.327 -7.682 -8.784 1.00 0.73 C ATOM 521 C LYS A 33 -4.777 -7.807 -8.469 1.00 0.69 C ATOM 522 O LYS A 33 -5.406 -8.740 -8.969 1.00 0.83 O ATOM 523 CB LYS A 33 -2.630 -7.545 -7.420 1.00 0.85 C ATOM 524 CG LYS A 33 -1.101 -7.607 -7.460 1.00 1.31 C ATOM 525 CD LYS A 33 -0.620 -9.056 -7.551 1.00 1.71 C ATOM 526 CE LYS A 33 0.856 -9.051 -7.955 1.00 2.26 C ATOM 527 NZ LYS A 33 1.500 -10.373 -8.120 1.00 2.62 N ATOM 0 H LYS A 33 -2.768 -5.723 -8.900 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.949 -8.522 -9.367 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.928 -6.597 -6.972 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.993 -8.336 -6.764 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.732 -7.042 -8.316 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.690 -7.138 -6.566 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.749 -9.559 -6.593 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.211 -9.607 -8.282 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.951 -8.506 -8.894 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.413 -8.491 -7.204 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.495 -10.243 -8.393 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.453 -10.896 -7.223 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.005 -10.910 -8.860 1.00 2.62 H new ATOM 541 N GLU A 34 -5.350 -6.964 -7.592 1.00 0.63 N ATOM 542 CA GLU A 34 -6.676 -7.283 -7.161 1.00 0.67 C ATOM 543 C GLU A 34 -7.689 -6.452 -7.871 1.00 0.69 C ATOM 544 O GLU A 34 -8.854 -6.848 -7.884 1.00 0.95 O ATOM 545 CB GLU A 34 -6.824 -6.887 -5.682 1.00 0.73 C ATOM 546 CG GLU A 34 -5.769 -7.483 -4.748 1.00 0.83 C ATOM 547 CD GLU A 34 -5.720 -9.004 -4.795 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.714 -9.664 -4.392 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.751 -9.645 -5.283 1.00 1.48 O ATOM 0 H GLU A 34 -4.932 -6.119 -7.203 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.831 -8.345 -7.349 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.784 -5.800 -5.606 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.811 -7.194 -5.335 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.790 -7.086 -5.015 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.975 -7.164 -3.726 1.00 0.83 H new ATOM 556 N GLY A 35 -7.333 -5.307 -8.481 1.00 0.63 N ATOM 557 CA GLY A 35 -8.338 -4.601 -9.215 1.00 0.68 C ATOM 558 C GLY A 35 -8.947 -3.431 -8.523 1.00 0.76 C ATOM 559 O GLY A 35 -9.932 -2.955 -9.086 1.00 1.12 O ATOM 0 H GLY A 35 -6.403 -4.887 -8.471 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.902 -4.257 -10.153 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.133 -5.301 -9.471 1.00 0.68 H new ATOM 563 N ILE A 36 -8.415 -2.975 -7.375 1.00 0.70 N ATOM 564 CA ILE A 36 -8.922 -1.878 -6.612 1.00 0.76 C ATOM 565 C ILE A 36 -8.323 -0.640 -7.187 1.00 0.71 C ATOM 566 O ILE A 36 -7.112 -0.774 -7.351 1.00 0.73 O ATOM 567 CB ILE A 36 -8.668 -2.207 -5.170 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.393 -3.504 -4.775 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.169 -1.139 -4.182 1.00 1.55 C ATOM 570 CD1 ILE A 36 -9.468 -3.934 -3.311 1.00 1.16 C ATOM 0 H ILE A 36 -7.585 -3.396 -6.957 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.996 -1.697 -6.660 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.583 -2.285 -5.101 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.417 -3.424 -5.140 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.921 -4.317 -5.326 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.947 -1.454 -3.162 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.670 -0.192 -4.386 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.246 -1.014 -4.296 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -10.018 -4.872 -3.235 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -8.460 -4.072 -2.920 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.979 -3.165 -2.732 1.00 1.16 H new ATOM 582 N PRO A 37 -8.943 0.436 -7.570 1.00 0.75 N ATOM 583 CA PRO A 37 -8.292 1.582 -8.134 1.00 0.79 C ATOM 584 C PRO A 37 -7.703 2.433 -7.062 1.00 0.75 C ATOM 585 O PRO A 37 -8.188 2.439 -5.932 1.00 0.75 O ATOM 586 CB PRO A 37 -9.399 2.263 -8.934 1.00 0.95 C ATOM 587 CG PRO A 37 -10.746 1.870 -8.308 1.00 1.02 C ATOM 588 CD PRO A 37 -10.376 0.460 -7.821 1.00 0.85 C ATOM 0 HA PRO A 37 -7.441 1.345 -8.773 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.272 3.345 -8.916 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.360 1.954 -9.979 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.043 2.533 -7.495 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.562 1.866 -9.031 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.927 0.213 -6.913 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.645 -0.285 -8.570 1.00 0.85 H new ATOM 596 N PRO A 38 -6.675 3.161 -7.381 1.00 0.81 N ATOM 597 CA PRO A 38 -5.806 3.808 -6.441 1.00 0.85 C ATOM 598 C PRO A 38 -6.493 4.919 -5.725 1.00 0.89 C ATOM 599 O PRO A 38 -6.055 5.339 -4.655 1.00 0.99 O ATOM 600 CB PRO A 38 -4.582 4.218 -7.257 1.00 1.01 C ATOM 601 CG PRO A 38 -5.152 4.376 -8.675 1.00 1.25 C ATOM 602 CD PRO A 38 -6.124 3.187 -8.728 1.00 0.98 C ATOM 0 HA PRO A 38 -5.499 3.157 -5.622 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.145 5.147 -6.891 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.799 3.461 -7.218 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.659 5.331 -8.813 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.379 4.312 -9.441 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.900 3.332 -9.480 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.612 2.257 -8.974 1.00 0.98 H new ATOM 610 N ASP A 39 -7.599 5.427 -6.299 1.00 0.96 N ATOM 611 CA ASP A 39 -8.397 6.389 -5.606 1.00 1.11 C ATOM 612 C ASP A 39 -9.131 5.896 -4.406 1.00 1.00 C ATOM 613 O ASP A 39 -9.165 6.482 -3.326 1.00 1.14 O ATOM 614 CB ASP A 39 -9.297 7.204 -6.552 1.00 1.39 C ATOM 615 CG ASP A 39 -10.171 6.416 -7.517 1.00 1.73 C ATOM 616 OD1 ASP A 39 -11.206 5.885 -7.030 1.00 2.25 O ATOM 617 OD2 ASP A 39 -9.823 6.290 -8.721 1.00 2.23 O ATOM 0 H ASP A 39 -7.936 5.176 -7.228 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.655 7.067 -5.185 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.946 7.835 -5.944 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -8.661 7.870 -7.136 1.00 1.39 H new ATOM 622 N GLN A 40 -9.673 4.668 -4.500 1.00 0.87 N ATOM 623 CA GLN A 40 -10.333 3.853 -3.529 1.00 0.84 C ATOM 624 C GLN A 40 -9.441 3.248 -2.499 1.00 0.67 C ATOM 625 O GLN A 40 -9.704 3.271 -1.297 1.00 0.80 O ATOM 626 CB GLN A 40 -11.173 2.742 -4.177 1.00 0.95 C ATOM 627 CG GLN A 40 -12.218 2.072 -3.282 1.00 1.32 C ATOM 628 CD GLN A 40 -12.670 0.728 -3.836 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.214 0.140 -4.816 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.755 0.247 -3.173 1.00 2.02 N ATOM 0 H GLN A 40 -9.639 4.180 -5.395 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.982 4.559 -3.011 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.683 3.161 -5.044 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.495 1.972 -4.547 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.803 1.931 -2.284 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.081 2.730 -3.178 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.120 0.747 -2.362 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.204 -0.614 -3.486 1.00 2.02 H new ATOM 639 N GLN A 41 -8.273 2.709 -2.892 1.00 0.56 N ATOM 640 CA GLN A 41 -7.377 2.001 -2.032 1.00 0.51 C ATOM 641 C GLN A 41 -6.896 2.873 -0.924 1.00 0.49 C ATOM 642 O GLN A 41 -6.620 4.036 -1.214 1.00 0.65 O ATOM 643 CB GLN A 41 -6.165 1.681 -2.924 1.00 0.67 C ATOM 644 CG GLN A 41 -6.382 0.459 -3.820 1.00 0.69 C ATOM 645 CD GLN A 41 -5.025 0.233 -4.471 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.945 0.157 -3.887 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.060 0.164 -5.829 1.00 0.61 N ATOM 0 H GLN A 41 -7.938 2.770 -3.854 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.861 1.128 -1.594 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.943 2.546 -3.548 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.293 1.511 -2.293 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.696 -0.409 -3.241 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.156 0.643 -4.565 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.952 0.226 -6.320 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.194 0.050 -6.356 1.00 0.61 H new ATOM 656 N ARG A 42 -6.782 2.495 0.362 1.00 0.47 N ATOM 657 CA ARG A 42 -6.079 3.257 1.346 1.00 0.55 C ATOM 658 C ARG A 42 -4.930 2.431 1.812 1.00 0.46 C ATOM 659 O ARG A 42 -5.090 1.216 1.922 1.00 0.52 O ATOM 660 CB ARG A 42 -7.104 3.483 2.469 1.00 0.73 C ATOM 661 CG ARG A 42 -6.565 4.308 3.639 1.00 1.04 C ATOM 662 CD ARG A 42 -7.652 4.864 4.561 1.00 1.28 C ATOM 663 NE ARG A 42 -8.541 5.736 3.743 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.543 6.459 4.324 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.955 6.167 5.592 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.874 7.588 3.632 1.00 2.78 N ATOM 0 H ARG A 42 -7.191 1.635 0.727 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.687 4.209 0.987 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.978 3.985 2.055 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.439 2.515 2.843 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.887 3.688 4.226 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.978 5.137 3.245 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.223 4.052 5.011 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.206 5.432 5.378 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.399 5.794 2.735 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.514 5.406 6.109 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.704 6.709 6.023 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.384 7.819 2.768 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.612 8.201 3.979 1.00 2.78 H new ATOM 680 N LEU A 43 -3.768 3.052 2.086 1.00 0.46 N ATOM 681 CA LEU A 43 -2.683 2.255 2.568 1.00 0.42 C ATOM 682 C LEU A 43 -2.228 2.927 3.818 1.00 0.43 C ATOM 683 O LEU A 43 -1.844 4.093 3.742 1.00 0.55 O ATOM 684 CB LEU A 43 -1.555 2.160 1.526 1.00 0.55 C ATOM 685 CG LEU A 43 -1.679 1.314 0.249 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.471 1.589 -0.664 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.879 -0.171 0.599 1.00 1.12 C ATOM 0 H LEU A 43 -3.583 4.050 1.982 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.987 1.226 2.759 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.340 3.179 1.205 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.672 1.800 2.054 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.568 1.599 -0.313 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.556 0.990 -1.571 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.448 2.646 -0.928 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.448 1.326 -0.141 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.965 -0.753 -0.319 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.026 -0.527 1.176 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.789 -0.287 1.188 1.00 1.12 H new ATOM 699 N ILE A 44 -2.272 2.256 4.982 1.00 0.42 N ATOM 700 CA ILE A 44 -1.892 2.693 6.290 1.00 0.46 C ATOM 701 C ILE A 44 -0.680 1.963 6.757 1.00 0.42 C ATOM 702 O ILE A 44 -0.588 0.761 6.518 1.00 0.53 O ATOM 703 CB ILE A 44 -3.036 2.528 7.245 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.293 3.138 6.604 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.592 3.205 8.554 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.534 3.079 7.494 1.00 1.27 C ATOM 0 H ILE A 44 -2.614 1.295 5.006 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.640 3.753 6.248 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.292 1.492 7.468 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.090 4.178 6.349 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.503 2.616 5.670 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.386 3.119 9.296 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.692 2.718 8.928 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.383 4.258 8.366 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.378 3.529 6.971 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.764 2.040 7.729 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.346 3.626 8.418 1.00 1.27 H new ATOM 718 N PHE A 45 0.316 2.689 7.296 1.00 0.42 N ATOM 719 CA PHE A 45 1.429 2.080 7.955 1.00 0.46 C ATOM 720 C PHE A 45 1.692 2.927 9.151 1.00 0.68 C ATOM 721 O PHE A 45 1.736 4.153 9.055 1.00 1.50 O ATOM 722 CB PHE A 45 2.584 2.165 6.945 1.00 0.56 C ATOM 723 CG PHE A 45 3.924 1.781 7.474 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.124 0.544 8.040 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.976 2.657 7.352 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.342 0.223 8.592 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.179 2.330 7.931 1.00 1.33 C ATOM 728 CZ PHE A 45 6.401 1.092 8.485 1.00 1.02 C ATOM 0 H PHE A 45 0.349 3.708 7.274 1.00 0.42 H new ATOM 0 HA PHE A 45 1.281 1.046 8.265 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.350 1.523 6.096 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.640 3.186 6.567 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.321 -0.178 8.051 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.860 3.585 6.811 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.467 -0.716 9.112 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.970 3.065 7.951 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.385 0.809 8.828 1.00 1.02 H new ATOM 738 N ALA A 46 2.040 2.370 10.325 1.00 0.81 N ATOM 739 CA ALA A 46 2.357 3.105 11.510 1.00 0.96 C ATOM 740 C ALA A 46 1.420 4.187 11.926 1.00 0.97 C ATOM 741 O ALA A 46 1.726 5.155 12.620 1.00 1.21 O ATOM 742 CB ALA A 46 3.782 3.683 11.490 1.00 1.20 C ATOM 0 H ALA A 46 2.103 1.360 10.454 1.00 0.81 H new ATOM 0 HA ALA A 46 2.255 2.321 12.260 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.966 4.230 12.415 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.503 2.870 11.400 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.889 4.359 10.641 1.00 1.20 H new ATOM 748 N GLY A 47 0.160 4.151 11.457 1.00 0.99 N ATOM 749 CA GLY A 47 -0.921 5.053 11.706 1.00 1.10 C ATOM 750 C GLY A 47 -0.939 6.220 10.781 1.00 1.03 C ATOM 751 O GLY A 47 -1.713 7.165 10.936 1.00 1.30 O ATOM 0 H GLY A 47 -0.131 3.400 10.830 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.864 4.513 11.617 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.856 5.413 12.733 1.00 1.10 H new ATOM 755 N LYS A 48 -0.045 6.213 9.776 1.00 0.98 N ATOM 756 CA LYS A 48 0.045 7.171 8.719 1.00 1.05 C ATOM 757 C LYS A 48 -0.632 6.669 7.489 1.00 0.84 C ATOM 758 O LYS A 48 -0.207 5.602 7.052 1.00 0.81 O ATOM 759 CB LYS A 48 1.518 7.456 8.379 1.00 1.42 C ATOM 760 CG LYS A 48 2.457 7.878 9.512 1.00 1.61 C ATOM 761 CD LYS A 48 3.790 8.408 8.980 1.00 1.87 C ATOM 762 CE LYS A 48 4.824 8.851 10.016 1.00 2.22 C ATOM 763 NZ LYS A 48 6.104 9.207 9.364 1.00 2.55 N ATOM 0 H LYS A 48 0.665 5.485 9.698 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.444 8.084 9.059 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.933 6.558 7.921 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.539 8.239 7.621 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.975 8.647 10.115 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.640 7.027 10.168 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.241 7.632 8.362 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.581 9.255 8.326 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.444 9.708 10.572 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.989 8.050 10.737 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.791 9.505 10.086 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.475 8.381 8.853 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.947 9.986 8.694 1.00 2.55 H new ATOM 777 N GLN A 49 -1.640 7.376 6.947 1.00 0.84 N ATOM 778 CA GLN A 49 -2.295 7.141 5.698 1.00 0.80 C ATOM 779 C GLN A 49 -1.374 7.662 4.650 1.00 0.72 C ATOM 780 O GLN A 49 -0.967 8.820 4.729 1.00 0.83 O ATOM 781 CB GLN A 49 -3.652 7.863 5.631 1.00 1.03 C ATOM 782 CG GLN A 49 -4.385 7.660 4.304 1.00 1.67 C ATOM 783 CD GLN A 49 -5.709 8.411 4.316 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.729 7.857 4.725 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.664 9.654 3.764 1.00 2.48 N ATOM 0 H GLN A 49 -2.030 8.186 7.429 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.505 6.080 5.562 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.284 7.508 6.445 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.496 8.930 5.791 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.765 8.013 3.480 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.562 6.598 4.137 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.774 10.040 3.450 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.520 10.199 3.665 1.00 2.48 H new ATOM 794 N LEU A 50 -1.008 6.822 3.666 1.00 0.69 N ATOM 795 CA LEU A 50 0.062 7.144 2.774 1.00 0.66 C ATOM 796 C LEU A 50 -0.361 8.080 1.694 1.00 0.72 C ATOM 797 O LEU A 50 -1.407 7.965 1.057 1.00 0.90 O ATOM 798 CB LEU A 50 0.889 5.949 2.268 1.00 0.65 C ATOM 799 CG LEU A 50 1.352 4.919 3.312 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.230 3.857 2.628 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.056 5.510 4.545 1.00 0.74 C ATOM 0 H LEU A 50 -1.452 5.921 3.488 1.00 0.69 H new ATOM 0 HA LEU A 50 0.777 7.684 3.395 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.299 5.425 1.516 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.773 6.340 1.765 1.00 0.65 H new ATOM 0 HG LEU A 50 0.445 4.466 3.713 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.559 3.126 3.367 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.654 3.354 1.851 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.100 4.337 2.181 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.344 4.705 5.221 1.00 0.74 H new ATOM 0 HD22 LEU A 50 2.946 6.054 4.230 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.378 6.191 5.060 1.00 0.74 H new ATOM 813 N GLU A 51 0.444 9.107 1.370 1.00 0.70 N ATOM 814 CA GLU A 51 0.270 10.014 0.278 1.00 0.76 C ATOM 815 C GLU A 51 0.746 9.474 -1.027 1.00 0.77 C ATOM 816 O GLU A 51 1.905 9.062 -1.060 1.00 1.23 O ATOM 817 CB GLU A 51 0.708 11.426 0.699 1.00 0.88 C ATOM 818 CG GLU A 51 -0.060 11.966 1.907 1.00 1.35 C ATOM 819 CD GLU A 51 0.479 13.352 2.233 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.379 14.303 1.414 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.980 13.522 3.376 1.00 1.89 O ATOM 0 H GLU A 51 1.280 9.319 1.914 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.788 10.128 0.042 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.773 11.414 0.931 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.573 12.106 -0.142 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.127 12.015 1.688 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.060 11.301 2.762 1.00 1.35 H new ATOM 828 N ASP A 52 -0.095 9.544 -2.074 1.00 0.66 N ATOM 829 CA ASP A 52 0.097 8.952 -3.362 1.00 0.65 C ATOM 830 C ASP A 52 1.295 9.365 -4.145 1.00 0.60 C ATOM 831 O ASP A 52 2.077 8.574 -4.671 1.00 0.62 O ATOM 832 CB ASP A 52 -1.101 9.272 -4.270 1.00 0.81 C ATOM 833 CG ASP A 52 -2.441 8.998 -3.603 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.866 7.814 -3.536 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.097 9.978 -3.160 1.00 1.56 O ATOM 0 H ASP A 52 -0.976 10.054 -2.014 1.00 0.66 H new ATOM 0 HA ASP A 52 0.225 7.900 -3.109 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.056 10.320 -4.566 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.027 8.680 -5.182 1.00 0.81 H new ATOM 840 N GLY A 53 1.667 10.649 -4.289 1.00 0.68 N ATOM 841 CA GLY A 53 2.890 11.044 -4.917 1.00 0.73 C ATOM 842 C GLY A 53 3.956 11.227 -3.894 1.00 0.72 C ATOM 843 O GLY A 53 4.737 12.176 -3.965 1.00 0.97 O ATOM 0 H GLY A 53 1.103 11.433 -3.961 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.196 10.289 -5.641 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.741 11.972 -5.468 1.00 0.73 H new ATOM 847 N ARG A 54 4.218 10.311 -2.944 1.00 0.64 N ATOM 848 CA ARG A 54 5.454 10.299 -2.226 1.00 0.63 C ATOM 849 C ARG A 54 6.072 8.977 -2.525 1.00 0.59 C ATOM 850 O ARG A 54 5.410 8.121 -3.110 1.00 0.62 O ATOM 851 CB ARG A 54 5.246 10.640 -0.740 1.00 0.69 C ATOM 852 CG ARG A 54 4.843 12.058 -0.331 1.00 0.82 C ATOM 853 CD ARG A 54 5.948 13.108 -0.459 1.00 1.18 C ATOM 854 NE ARG A 54 5.343 14.450 -0.233 1.00 1.50 N ATOM 855 CZ ARG A 54 6.138 15.513 0.089 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.497 15.475 -0.030 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.677 16.531 0.873 1.00 2.49 N ATOM 0 H ARG A 54 3.568 9.574 -2.672 1.00 0.64 H new ATOM 0 HA ARG A 54 6.148 11.079 -2.538 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.484 9.962 -0.355 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.174 10.404 -0.220 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.995 12.369 -0.942 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.500 12.038 0.704 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.738 12.920 0.268 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.406 13.059 -1.447 1.00 1.18 H new ATOM 0 HE ARG A 54 4.334 14.575 -0.319 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.956 14.630 -0.370 1.00 2.48 H new ATOM 0 HH12 ARG A 54 8.054 16.292 0.222 1.00 2.48 H new ATOM 0 HH21 ARG A 54 4.722 16.507 1.230 1.00 2.49 H new ATOM 0 HH22 ARG A 54 6.288 17.315 1.101 1.00 2.49 H new ATOM 871 N THR A 55 7.298 8.714 -2.036 1.00 0.63 N ATOM 872 CA THR A 55 7.836 7.405 -2.246 1.00 0.61 C ATOM 873 C THR A 55 7.807 6.531 -1.040 1.00 0.59 C ATOM 874 O THR A 55 7.334 6.912 0.030 1.00 0.64 O ATOM 875 CB THR A 55 9.231 7.391 -2.794 1.00 0.68 C ATOM 876 OG1 THR A 55 10.169 8.008 -1.925 1.00 0.75 O ATOM 877 CG2 THR A 55 9.385 8.186 -4.101 1.00 0.76 C ATOM 0 H THR A 55 7.890 9.367 -1.522 1.00 0.63 H new ATOM 0 HA THR A 55 7.156 7.000 -2.996 1.00 0.61 H new ATOM 0 HB THR A 55 9.419 6.327 -2.935 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.935 8.953 -1.809 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.420 8.132 -4.440 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.731 7.763 -4.864 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.114 9.227 -3.928 1.00 0.76 H new ATOM 885 N LEU A 56 8.382 5.320 -1.146 1.00 0.58 N ATOM 886 CA LEU A 56 8.501 4.491 0.014 1.00 0.59 C ATOM 887 C LEU A 56 9.630 4.942 0.873 1.00 0.64 C ATOM 888 O LEU A 56 9.583 4.780 2.092 1.00 0.70 O ATOM 889 CB LEU A 56 8.729 3.051 -0.472 1.00 0.60 C ATOM 890 CG LEU A 56 7.534 2.585 -1.322 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.908 1.334 -2.135 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.376 2.121 -0.423 1.00 1.03 C ATOM 0 H LEU A 56 8.755 4.922 -2.008 1.00 0.58 H new ATOM 0 HA LEU A 56 7.596 4.551 0.618 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.646 2.998 -1.059 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.859 2.387 0.382 1.00 0.60 H new ATOM 0 HG LEU A 56 7.257 3.429 -1.954 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.052 1.018 -2.731 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.744 1.566 -2.795 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.194 0.531 -1.456 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.541 1.796 -1.044 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.709 1.291 0.201 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.055 2.947 0.212 1.00 1.03 H new ATOM 904 N SER A 57 10.689 5.546 0.303 1.00 0.68 N ATOM 905 CA SER A 57 11.773 6.067 1.077 1.00 0.75 C ATOM 906 C SER A 57 11.428 7.322 1.803 1.00 0.76 C ATOM 907 O SER A 57 11.928 7.526 2.908 1.00 0.84 O ATOM 908 CB SER A 57 13.034 6.271 0.220 1.00 0.84 C ATOM 909 OG SER A 57 14.208 6.555 0.966 1.00 1.19 O ATOM 0 H SER A 57 10.794 5.674 -0.703 1.00 0.68 H new ATOM 0 HA SER A 57 11.983 5.311 1.834 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.204 5.374 -0.375 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.856 7.088 -0.479 1.00 0.84 H new ATOM 0 HG SER A 57 14.965 6.670 0.354 1.00 1.19 H new ATOM 915 N ASP A 58 10.506 8.149 1.279 1.00 0.75 N ATOM 916 CA ASP A 58 10.047 9.267 2.044 1.00 0.78 C ATOM 917 C ASP A 58 9.412 9.019 3.369 1.00 0.77 C ATOM 918 O ASP A 58 9.499 9.818 4.300 1.00 0.86 O ATOM 919 CB ASP A 58 9.048 10.033 1.161 1.00 0.83 C ATOM 920 CG ASP A 58 9.751 10.753 0.019 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.413 11.799 0.259 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.425 10.407 -1.148 1.00 1.86 O ATOM 0 H ASP A 58 10.088 8.050 0.354 1.00 0.75 H new ATOM 0 HA ASP A 58 10.955 9.808 2.309 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.312 9.339 0.756 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.504 10.756 1.768 1.00 0.83 H new ATOM 927 N TYR A 59 8.782 7.837 3.489 1.00 0.72 N ATOM 928 CA TYR A 59 8.259 7.408 4.748 1.00 0.73 C ATOM 929 C TYR A 59 9.097 6.428 5.495 1.00 0.76 C ATOM 930 O TYR A 59 8.694 5.938 6.548 1.00 0.89 O ATOM 931 CB TYR A 59 7.041 6.544 4.380 1.00 0.73 C ATOM 932 CG TYR A 59 5.960 7.497 4.002 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.569 8.482 4.879 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.344 7.310 2.788 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.522 9.315 4.562 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.284 8.130 2.480 1.00 0.70 C ATOM 937 CZ TYR A 59 3.905 9.129 3.346 1.00 0.74 C ATOM 938 OH TYR A 59 2.769 9.936 3.129 1.00 0.86 O ATOM 0 H TYR A 59 8.636 7.183 2.720 1.00 0.72 H new ATOM 0 HA TYR A 59 8.126 8.305 5.352 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.275 5.872 3.554 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.736 5.922 5.221 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.086 8.601 5.820 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.680 6.547 2.101 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.196 10.087 5.243 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.747 7.989 1.554 1.00 0.70 H new ATOM 0 HH TYR A 59 3.014 10.702 2.568 1.00 0.86 H new ATOM 948 N ASN A 60 10.335 6.164 5.041 1.00 0.74 N ATOM 949 CA ASN A 60 11.248 5.175 5.524 1.00 0.79 C ATOM 950 C ASN A 60 10.612 3.842 5.722 1.00 0.75 C ATOM 951 O ASN A 60 10.496 3.386 6.859 1.00 0.86 O ATOM 952 CB ASN A 60 11.836 5.827 6.786 1.00 0.95 C ATOM 953 CG ASN A 60 12.779 6.986 6.498 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.487 8.169 6.332 1.00 1.84 O ATOM 955 ND2 ASN A 60 14.087 6.625 6.408 1.00 1.83 N ATOM 0 H ASN A 60 10.731 6.693 4.264 1.00 0.74 H new ATOM 0 HA ASN A 60 12.035 4.920 4.814 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.019 6.183 7.413 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.371 5.070 7.359 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.798 7.329 6.207 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.357 5.651 6.541 1.00 1.83 H new ATOM 962 N ILE A 61 10.151 3.249 4.605 1.00 0.67 N ATOM 963 CA ILE A 61 9.559 1.949 4.555 1.00 0.65 C ATOM 964 C ILE A 61 10.636 1.107 3.964 1.00 0.66 C ATOM 965 O ILE A 61 11.193 1.425 2.914 1.00 0.75 O ATOM 966 CB ILE A 61 8.368 1.988 3.643 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.272 2.905 4.212 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.801 0.563 3.532 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.161 3.086 3.180 1.00 0.82 C ATOM 0 H ILE A 61 10.194 3.700 3.691 1.00 0.67 H new ATOM 0 HA ILE A 61 9.216 1.580 5.522 1.00 0.65 H new ATOM 0 HB ILE A 61 8.677 2.371 2.670 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.864 2.475 5.127 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.697 3.873 4.476 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.933 0.567 2.873 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.563 -0.101 3.124 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.504 0.211 4.520 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.387 3.736 3.588 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.573 3.535 2.277 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.728 2.115 2.937 1.00 0.82 H new ATOM 981 N GLN A 62 11.079 0.049 4.666 1.00 0.67 N ATOM 982 CA GLN A 62 12.239 -0.742 4.391 1.00 0.70 C ATOM 983 C GLN A 62 11.767 -1.937 3.636 1.00 0.62 C ATOM 984 O GLN A 62 10.588 -2.017 3.297 1.00 0.64 O ATOM 985 CB GLN A 62 12.990 -1.140 5.673 1.00 0.85 C ATOM 986 CG GLN A 62 13.433 0.093 6.462 1.00 1.27 C ATOM 987 CD GLN A 62 13.977 -0.400 7.796 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.177 -0.879 8.598 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.308 -0.309 8.057 1.00 2.16 N ATOM 0 H GLN A 62 10.583 -0.279 5.495 1.00 0.67 H new ATOM 0 HA GLN A 62 12.959 -0.170 3.806 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.347 -1.761 6.296 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.861 -1.742 5.415 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.197 0.646 5.915 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.595 0.773 6.615 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.937 0.095 7.364 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.677 -0.645 8.946 1.00 2.16 H new ATOM 998 N LYS A 63 12.670 -2.906 3.398 1.00 0.64 N ATOM 999 CA LYS A 63 12.173 -4.110 2.809 1.00 0.62 C ATOM 1000 C LYS A 63 11.397 -4.902 3.805 1.00 0.59 C ATOM 1001 O LYS A 63 11.543 -4.747 5.016 1.00 0.66 O ATOM 1002 CB LYS A 63 13.323 -4.941 2.216 1.00 0.74 C ATOM 1003 CG LYS A 63 14.384 -5.474 3.181 1.00 0.89 C ATOM 1004 CD LYS A 63 14.180 -6.885 3.738 1.00 1.11 C ATOM 1005 CE LYS A 63 15.506 -7.528 4.151 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.220 -8.699 5.009 1.00 2.12 N ATOM 0 H LYS A 63 13.670 -2.868 3.595 1.00 0.64 H new ATOM 0 HA LYS A 63 11.500 -3.841 1.995 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.887 -5.792 1.693 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.827 -4.330 1.467 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.347 -5.448 2.671 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.451 -4.785 4.023 1.00 0.89 H new ATOM 0 HD2 LYS A 63 13.512 -6.843 4.598 1.00 1.11 H new ATOM 0 HD3 LYS A 63 13.693 -7.506 2.986 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.068 -7.835 3.269 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.124 -6.808 4.688 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.087 -9.261 5.130 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.885 -8.375 5.939 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.487 -9.286 4.562 1.00 2.12 H new ATOM 1020 N GLU A 64 10.447 -5.722 3.321 1.00 0.57 N ATOM 1021 CA GLU A 64 9.632 -6.594 4.110 1.00 0.58 C ATOM 1022 C GLU A 64 8.799 -5.918 5.143 1.00 0.56 C ATOM 1023 O GLU A 64 8.743 -6.329 6.301 1.00 0.70 O ATOM 1024 CB GLU A 64 10.285 -7.829 4.754 1.00 0.72 C ATOM 1025 CG GLU A 64 10.874 -8.820 3.749 1.00 0.96 C ATOM 1026 CD GLU A 64 11.627 -9.929 4.469 1.00 1.18 C ATOM 1027 OE1 GLU A 64 10.890 -10.753 5.073 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.884 -9.962 4.558 1.00 1.69 O ATOM 0 H GLU A 64 10.236 -5.780 2.325 1.00 0.57 H new ATOM 0 HA GLU A 64 9.005 -6.970 3.301 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.075 -7.499 5.428 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.542 -8.344 5.363 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.076 -9.249 3.143 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.547 -8.299 3.068 1.00 0.96 H new ATOM 1035 N SER A 65 8.101 -4.826 4.783 1.00 0.51 N ATOM 1036 CA SER A 65 7.210 -3.986 5.521 1.00 0.51 C ATOM 1037 C SER A 65 5.833 -4.347 5.080 1.00 0.43 C ATOM 1038 O SER A 65 5.630 -4.711 3.922 1.00 0.50 O ATOM 1039 CB SER A 65 7.534 -2.490 5.371 1.00 0.65 C ATOM 1040 OG SER A 65 6.833 -1.747 6.357 1.00 1.04 O ATOM 0 H SER A 65 8.179 -4.486 3.824 1.00 0.51 H new ATOM 0 HA SER A 65 7.316 -4.154 6.593 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.607 -2.328 5.475 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.254 -2.146 4.375 1.00 0.65 H new ATOM 0 HG SER A 65 7.314 -0.913 6.541 1.00 1.04 H new ATOM 1046 N THR A 66 4.883 -4.334 6.032 1.00 0.45 N ATOM 1047 CA THR A 66 3.505 -4.651 5.820 1.00 0.45 C ATOM 1048 C THR A 66 2.748 -3.371 5.927 1.00 0.43 C ATOM 1049 O THR A 66 2.660 -2.705 6.956 1.00 0.58 O ATOM 1050 CB THR A 66 3.041 -5.550 6.927 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.867 -6.704 6.992 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.656 -6.107 6.557 1.00 0.78 C ATOM 0 H THR A 66 5.088 -4.089 7.001 1.00 0.45 H new ATOM 0 HA THR A 66 3.357 -5.135 4.855 1.00 0.45 H new ATOM 0 HB THR A 66 3.051 -4.978 7.855 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.560 -7.286 7.718 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.304 -6.764 7.352 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.954 -5.283 6.429 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.727 -6.670 5.626 1.00 0.78 H new ATOM 1060 N LEU A 67 2.110 -3.036 4.791 1.00 0.38 N ATOM 1061 CA LEU A 67 1.123 -2.003 4.747 1.00 0.38 C ATOM 1062 C LEU A 67 -0.236 -2.579 4.955 1.00 0.37 C ATOM 1063 O LEU A 67 -0.588 -3.627 4.417 1.00 0.50 O ATOM 1064 CB LEU A 67 1.007 -1.352 3.358 1.00 0.46 C ATOM 1065 CG LEU A 67 2.264 -0.743 2.715 1.00 0.65 C ATOM 1066 CD1 LEU A 67 1.946 -0.228 1.300 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.858 0.409 3.543 1.00 1.31 C ATOM 0 H LEU A 67 2.281 -3.487 3.893 1.00 0.38 H new ATOM 0 HA LEU A 67 1.432 -1.289 5.510 1.00 0.38 H new ATOM 0 HB2 LEU A 67 0.618 -2.105 2.673 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.257 -0.564 3.425 1.00 0.46 H new ATOM 0 HG LEU A 67 3.005 -1.541 2.672 1.00 0.65 H new ATOM 0 HD11 LEU A 67 2.846 0.200 0.858 1.00 1.40 H new ATOM 0 HD12 LEU A 67 1.596 -1.055 0.682 1.00 1.40 H new ATOM 0 HD13 LEU A 67 1.171 0.536 1.357 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.743 0.800 3.041 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.118 1.203 3.645 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.134 0.042 4.531 1.00 1.31 H new ATOM 1079 N HIS A 68 -1.137 -1.823 5.607 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.481 -2.218 5.897 1.00 0.37 C ATOM 1081 C HIS A 68 -3.367 -1.472 4.960 1.00 0.35 C ATOM 1082 O HIS A 68 -3.501 -0.249 4.947 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.954 -1.868 7.318 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.984 -2.299 8.377 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.855 -1.526 8.560 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.800 -3.492 9.003 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.028 -2.293 9.319 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.572 -3.453 9.634 1.00 1.51 N ATOM 0 H HIS A 68 -0.917 -0.888 5.950 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.521 -3.303 5.797 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -3.108 -0.791 7.390 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.919 -2.341 7.501 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.680 -0.586 8.204 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -2.491 -4.322 9.006 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.961 -1.988 9.629 1.00 1.41 H new ATOM 1096 N LEU A 69 -4.009 -2.297 4.114 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.924 -1.900 3.089 1.00 0.38 C ATOM 1098 C LEU A 69 -6.313 -1.815 3.622 1.00 0.41 C ATOM 1099 O LEU A 69 -6.873 -2.810 4.079 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.955 -2.836 1.870 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.539 -2.186 0.605 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.786 -2.368 -0.724 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -7.052 -2.349 0.387 1.00 1.14 C ATOM 0 H LEU A 69 -3.880 -3.308 4.149 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.558 -0.928 2.759 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.941 -3.175 1.658 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.542 -3.720 2.117 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.356 -1.152 0.897 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.323 -1.852 -1.520 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -3.783 -1.952 -0.634 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.718 -3.430 -0.961 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.343 -1.848 -0.536 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -7.298 -3.409 0.318 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.590 -1.906 1.225 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.839 -0.578 3.589 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.190 -0.369 4.007 1.00 0.56 C ATOM 1117 C VAL A 70 -8.888 0.187 2.814 1.00 0.55 C ATOM 1118 O VAL A 70 -8.278 0.393 1.766 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.205 0.562 5.184 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.482 0.314 6.005 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.990 0.254 6.076 1.00 0.97 C ATOM 0 H VAL A 70 -6.344 0.259 3.281 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.691 -1.279 4.339 1.00 0.56 H new ATOM 0 HB VAL A 70 -8.173 1.595 4.838 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.500 0.987 6.862 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.357 0.497 5.381 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.495 -0.718 6.354 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.990 0.925 6.935 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.045 -0.778 6.421 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.073 0.397 5.504 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.187 0.537 2.848 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.835 1.111 1.710 1.00 0.84 C ATOM 1133 C LEU A 71 -11.527 2.395 2.010 1.00 0.85 C ATOM 1134 O LEU A 71 -11.917 2.486 3.173 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.838 0.162 1.033 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.199 -1.127 0.491 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.265 -2.205 0.233 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.304 -0.878 -0.735 1.00 2.78 C ATOM 0 H LEU A 71 -10.788 0.422 3.664 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.013 1.304 1.020 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.616 -0.102 1.750 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.326 0.688 0.212 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.532 -1.506 1.266 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.786 -3.106 -0.150 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.781 -2.436 1.165 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.984 -1.838 -0.499 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.880 -1.823 -1.074 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.898 -0.439 -1.536 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.498 -0.195 -0.465 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.536 3.304 1.019 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.088 4.608 1.218 1.00 1.10 C ATOM 1152 C ARG A 72 -13.575 4.685 1.250 1.00 1.35 C ATOM 1153 O ARG A 72 -14.284 3.984 0.529 1.00 1.56 O ATOM 1154 CB ARG A 72 -11.523 5.690 0.284 1.00 1.34 C ATOM 1155 CG ARG A 72 -11.801 7.166 0.574 1.00 1.65 C ATOM 1156 CD ARG A 72 -11.081 7.964 -0.515 1.00 1.99 C ATOM 1157 NE ARG A 72 -11.176 9.421 -0.220 1.00 2.54 N ATOM 1158 CZ ARG A 72 -11.400 10.266 -1.268 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -12.281 10.024 -2.282 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -10.863 11.519 -1.182 1.00 3.75 N ATOM 0 H ARG A 72 -11.163 3.138 0.084 1.00 0.92 H new ATOM 0 HA ARG A 72 -11.747 4.826 2.230 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -10.441 5.562 0.256 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -11.895 5.480 -0.719 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -12.872 7.369 0.561 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -11.436 7.443 1.563 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -10.035 7.662 -0.568 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -11.524 7.751 -1.488 1.00 1.99 H new ATOM 0 HE ARG A 72 -11.077 9.775 0.732 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -12.826 9.162 -2.289 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -12.394 10.705 -3.033 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -10.322 11.787 -0.360 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -11.003 12.187 -1.940 1.00 3.75 H new ATOM 1174 N LEU A 73 -14.148 5.570 2.086 1.00 1.54 N ATOM 1175 CA LEU A 73 -15.569 5.722 2.027 1.00 1.93 C ATOM 1176 C LEU A 73 -15.707 7.009 1.287 1.00 2.13 C ATOM 1177 O LEU A 73 -14.913 7.940 1.404 1.00 2.57 O ATOM 1178 CB LEU A 73 -16.230 5.755 3.415 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.766 5.770 3.486 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.413 4.450 3.038 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -18.107 6.214 4.919 1.00 3.14 C ATOM 0 H LEU A 73 -13.660 6.151 2.768 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.075 4.885 1.546 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -15.879 4.886 3.972 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -15.863 6.638 3.938 1.00 2.23 H new ATOM 0 HG LEU A 73 -18.196 6.470 2.770 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -19.497 4.532 3.114 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -18.136 4.242 2.005 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -18.065 3.639 3.677 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -19.190 6.247 5.042 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -17.683 5.505 5.630 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -17.691 7.205 5.102 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.813 7.082 0.524 1.00 2.32 N ATOM 1194 CA ARG A 74 -17.102 8.324 -0.124 1.00 2.55 C ATOM 1195 C ARG A 74 -18.510 8.766 0.083 1.00 2.58 C ATOM 1196 O ARG A 74 -19.397 7.918 0.160 1.00 3.08 O ATOM 1197 CB ARG A 74 -16.643 8.278 -1.591 1.00 3.29 C ATOM 1198 CG ARG A 74 -16.458 9.661 -2.218 1.00 4.01 C ATOM 1199 CD ARG A 74 -16.249 9.699 -3.733 1.00 4.67 C ATOM 1200 NE ARG A 74 -17.375 8.909 -4.307 1.00 5.36 N ATOM 1201 CZ ARG A 74 -17.385 8.436 -5.587 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -16.438 8.752 -6.518 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -18.449 7.693 -6.013 1.00 6.80 N ATOM 0 H ARG A 74 -17.476 6.325 0.360 1.00 2.32 H new ATOM 0 HA ARG A 74 -16.519 9.113 0.351 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -15.702 7.732 -1.652 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -17.374 7.719 -2.174 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -17.334 10.264 -1.979 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -15.602 10.140 -1.743 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -16.258 10.723 -4.105 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -15.286 9.268 -4.008 1.00 4.67 H new ATOM 0 HE ARG A 74 -18.180 8.712 -3.712 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -15.668 9.374 -6.272 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -16.500 8.366 -7.460 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -19.222 7.498 -5.377 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -18.470 7.333 -6.967 1.00 6.80 H new ATOM 1217 N GLY A 75 -18.833 10.069 0.167 1.00 2.73 N ATOM 1218 CA GLY A 75 -20.101 10.588 0.576 1.00 3.22 C ATOM 1219 C GLY A 75 -19.981 11.776 1.468 1.00 3.16 C ATOM 1220 O GLY A 75 -20.555 12.806 1.119 1.00 3.57 O ATOM 0 H GLY A 75 -18.166 10.805 -0.065 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -20.679 10.860 -0.307 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -20.658 9.807 1.093 1.00 3.22 H new ATOM 1224 N GLY A 76 -19.170 11.663 2.534 1.00 3.14 N ATOM 1225 CA GLY A 76 -18.920 12.696 3.489 1.00 3.37 C ATOM 1226 C GLY A 76 -17.424 12.917 3.671 1.00 3.48 C ATOM 1227 O GLY A 76 -16.709 11.965 4.084 1.00 3.87 O ATOM 1228 OXT GLY A 76 -17.007 14.099 3.545 1.00 3.70 O ATOM 0 H GLY A 76 -18.661 10.803 2.740 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -19.391 13.622 3.161 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -19.371 12.430 4.445 1.00 3.37 H new TER 1232 GLY A 76