USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -0.532 K(o=-0.53,f=-2.2!) USER MOD Set 1.2: A 62 GLN : amide:sc= 0 X(o=-0.53,f=-0.74) USER MOD Set 2.1: A 55 THR OG1 : rot 128:sc= 0.991 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.874 USER MOD Set 3.1: A 7 THR OG1 : rot 118:sc= 0.492 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.368 USER MOD Single : A 1 MET CE :methyl 172:sc= -0.0097 (180deg=-0.0593) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.34 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 6 LYS NZ :NH3+ 152:sc= -0.0618 (180deg=-0.669) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 1.29 (180deg=0.821) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.039 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00821 X(o=-0.0082,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= 0.279 (180deg=0.0312) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0119) USER MOD Single : A 31 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.38 K(o=-1.4,f=-6.2!) USER MOD Single : A 41 GLN : amide:sc= 0.574 K(o=0.57,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00645 K(o=-0.0064,f=-2.1) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.216 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 92:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.22 X(o=-0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.879 -4.795 -3.450 1.00 0.78 N ATOM 2 CA MET A 1 12.379 -4.749 -2.057 1.00 0.70 C ATOM 3 C MET A 1 10.992 -5.245 -1.830 1.00 0.62 C ATOM 4 O MET A 1 10.015 -4.899 -2.493 1.00 0.68 O ATOM 5 CB MET A 1 12.551 -3.313 -1.534 1.00 0.75 C ATOM 6 CG MET A 1 12.400 -3.079 -0.030 1.00 0.79 C ATOM 7 SD MET A 1 12.675 -1.322 0.350 1.00 1.10 S ATOM 8 CE MET A 1 11.012 -0.631 0.116 1.00 0.84 C ATOM 0 H1 MET A 1 13.904 -4.622 -3.457 1.00 0.78 H new ATOM 0 H2 MET A 1 12.683 -5.731 -3.858 1.00 0.78 H new ATOM 0 H3 MET A 1 12.401 -4.064 -4.015 1.00 0.78 H new ATOM 0 HA MET A 1 12.982 -5.463 -1.495 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.541 -2.965 -1.829 1.00 0.75 H new ATOM 0 HB3 MET A 1 11.825 -2.681 -2.046 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.404 -3.380 0.296 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.114 -3.695 0.517 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.999 0.406 0.451 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.745 -0.675 -0.940 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.293 -1.209 0.696 1.00 0.84 H new ATOM 20 N GLN A 2 10.829 -6.219 -0.918 1.00 0.59 N ATOM 21 CA GLN A 2 9.587 -6.909 -0.750 1.00 0.56 C ATOM 22 C GLN A 2 8.801 -6.215 0.310 1.00 0.50 C ATOM 23 O GLN A 2 9.366 -5.918 1.360 1.00 0.60 O ATOM 24 CB GLN A 2 9.845 -8.377 -0.371 1.00 0.71 C ATOM 25 CG GLN A 2 10.573 -9.189 -1.444 1.00 1.15 C ATOM 26 CD GLN A 2 11.413 -10.343 -0.916 1.00 1.30 C ATOM 27 OE1 GLN A 2 11.485 -10.696 0.259 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.048 -11.132 -1.825 1.00 1.72 N ATOM 0 H GLN A 2 11.568 -6.532 -0.289 1.00 0.59 H new ATOM 0 HA GLN A 2 9.022 -6.901 -1.682 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.431 -8.405 0.548 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.890 -8.857 -0.155 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.835 -9.585 -2.142 1.00 1.15 H new ATOM 0 HG3 GLN A 2 11.219 -8.518 -2.010 1.00 1.15 H new ATOM 0 HE21 GLN A 2 12.024 -10.890 -2.816 1.00 1.72 H new ATOM 0 HE22 GLN A 2 12.548 -11.965 -1.516 1.00 1.72 H new ATOM 37 N ILE A 3 7.573 -5.798 -0.045 1.00 0.44 N ATOM 38 CA ILE A 3 6.609 -5.170 0.805 1.00 0.42 C ATOM 39 C ILE A 3 5.374 -5.985 0.975 1.00 0.40 C ATOM 40 O ILE A 3 4.910 -6.641 0.044 1.00 0.50 O ATOM 41 CB ILE A 3 6.231 -3.734 0.596 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.594 -3.531 -0.789 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.484 -2.867 0.806 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.029 -2.125 -0.984 1.00 0.72 C ATOM 0 H ILE A 3 7.229 -5.909 -0.999 1.00 0.44 H new ATOM 0 HA ILE A 3 7.207 -5.128 1.715 1.00 0.42 H new ATOM 0 HB ILE A 3 5.475 -3.430 1.320 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.340 -3.727 -1.559 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.795 -4.260 -0.926 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.229 -1.818 0.658 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.860 -3.010 1.819 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.252 -3.158 0.090 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.593 -2.043 -1.980 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.261 -1.934 -0.235 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.830 -1.393 -0.877 1.00 0.72 H new ATOM 56 N PHE A 4 4.852 -6.062 2.212 1.00 0.37 N ATOM 57 CA PHE A 4 3.713 -6.882 2.488 1.00 0.38 C ATOM 58 C PHE A 4 2.414 -6.177 2.677 1.00 0.39 C ATOM 59 O PHE A 4 2.167 -5.667 3.768 1.00 0.60 O ATOM 60 CB PHE A 4 3.892 -7.688 3.785 1.00 0.45 C ATOM 61 CG PHE A 4 5.088 -8.563 3.929 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.365 -9.547 3.009 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.828 -8.442 5.082 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.463 -10.357 3.183 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.939 -9.232 5.261 1.00 1.40 C ATOM 66 CZ PHE A 4 7.239 -10.172 4.303 1.00 0.85 C ATOM 0 H PHE A 4 5.217 -5.558 3.020 1.00 0.37 H new ATOM 0 HA PHE A 4 3.665 -7.489 1.584 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.899 -6.981 4.614 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.009 -8.314 3.908 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.722 -9.683 2.152 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.538 -7.731 5.842 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.709 -11.119 2.458 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.563 -9.117 6.135 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.116 -10.788 4.435 1.00 0.85 H new ATOM 76 N VAL A 5 1.576 -6.165 1.625 1.00 0.35 N ATOM 77 CA VAL A 5 0.293 -5.538 1.695 1.00 0.35 C ATOM 78 C VAL A 5 -0.737 -6.444 2.276 1.00 0.35 C ATOM 79 O VAL A 5 -1.347 -7.304 1.642 1.00 0.46 O ATOM 80 CB VAL A 5 -0.079 -5.002 0.344 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.387 -4.206 0.499 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.056 -4.096 -0.161 1.00 0.56 C ATOM 0 H VAL A 5 1.788 -6.591 0.723 1.00 0.35 H new ATOM 0 HA VAL A 5 0.344 -4.693 2.381 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.225 -5.806 -0.378 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.684 -3.802 -0.469 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.171 -4.864 0.874 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.233 -3.387 1.202 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.796 -3.701 -1.143 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.200 -3.271 0.536 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.977 -4.674 -0.235 1.00 0.56 H new ATOM 92 N LYS A 6 -0.968 -6.271 3.591 1.00 0.36 N ATOM 93 CA LYS A 6 -1.839 -7.112 4.351 1.00 0.39 C ATOM 94 C LYS A 6 -3.189 -6.485 4.430 1.00 0.46 C ATOM 95 O LYS A 6 -3.409 -5.418 5.000 1.00 0.53 O ATOM 96 CB LYS A 6 -1.175 -7.267 5.731 1.00 0.54 C ATOM 97 CG LYS A 6 -1.833 -8.312 6.634 1.00 1.22 C ATOM 98 CD LYS A 6 -0.963 -8.485 7.881 1.00 1.37 C ATOM 99 CE LYS A 6 -1.145 -9.867 8.511 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.527 -10.837 7.580 1.00 2.09 N ATOM 0 H LYS A 6 -0.537 -5.526 4.139 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.985 -8.093 3.899 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.128 -7.535 5.589 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.192 -6.303 6.239 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.838 -7.994 6.913 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -1.934 -9.261 6.106 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.085 -8.341 7.617 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.216 -7.716 8.611 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.670 -9.912 9.491 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.202 -10.090 8.659 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.194 -11.666 8.113 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.230 -11.138 6.875 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.278 -10.390 7.097 1.00 2.09 H new ATOM 114 N THR A 7 -4.201 -7.239 3.963 1.00 0.58 N ATOM 115 CA THR A 7 -5.575 -6.857 3.856 1.00 0.78 C ATOM 116 C THR A 7 -6.390 -7.164 5.065 1.00 0.94 C ATOM 117 O THR A 7 -5.975 -7.877 5.978 1.00 0.99 O ATOM 118 CB THR A 7 -6.279 -7.255 2.593 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.538 -8.651 2.588 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.419 -6.965 1.352 1.00 0.92 C ATOM 0 H THR A 7 -4.044 -8.192 3.634 1.00 0.58 H new ATOM 0 HA THR A 7 -5.493 -5.772 3.791 1.00 0.78 H new ATOM 0 HB THR A 7 -7.203 -6.677 2.559 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.505 -8.804 2.557 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.961 -7.266 0.455 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.200 -5.898 1.302 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.486 -7.525 1.417 1.00 0.92 H new ATOM 128 N LEU A 8 -7.593 -6.564 5.060 1.00 1.17 N ATOM 129 CA LEU A 8 -8.504 -6.779 6.142 1.00 1.39 C ATOM 130 C LEU A 8 -9.030 -8.167 6.270 1.00 1.44 C ATOM 131 O LEU A 8 -9.278 -8.752 7.323 1.00 1.60 O ATOM 132 CB LEU A 8 -9.715 -5.836 6.045 1.00 1.66 C ATOM 133 CG LEU A 8 -10.561 -5.609 7.309 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.755 -5.093 8.513 1.00 2.53 C ATOM 135 CD2 LEU A 8 -11.784 -4.698 7.104 1.00 2.43 C ATOM 0 H LEU A 8 -7.931 -5.943 4.325 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.898 -6.577 7.025 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.355 -4.865 5.706 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.375 -6.220 5.267 1.00 1.66 H new ATOM 0 HG LEU A 8 -10.921 -6.614 7.531 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.421 -4.958 9.365 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -8.980 -5.816 8.769 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.292 -4.139 8.259 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.322 -4.593 8.046 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.454 -3.717 6.764 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.444 -5.138 6.356 1.00 2.43 H new ATOM 147 N THR A 9 -9.164 -8.806 5.094 1.00 1.41 N ATOM 148 CA THR A 9 -9.664 -10.132 4.900 1.00 1.51 C ATOM 149 C THR A 9 -8.647 -11.164 5.245 1.00 1.37 C ATOM 150 O THR A 9 -8.964 -12.079 6.003 1.00 1.62 O ATOM 151 CB THR A 9 -10.119 -10.370 3.490 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.165 -10.011 2.501 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.297 -9.418 3.223 1.00 2.08 C ATOM 0 H THR A 9 -8.903 -8.361 4.214 1.00 1.41 H new ATOM 0 HA THR A 9 -10.519 -10.221 5.571 1.00 1.51 H new ATOM 0 HB THR A 9 -10.335 -11.436 3.418 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.531 -10.196 1.611 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.657 -9.561 2.204 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.103 -9.630 3.926 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.967 -8.387 3.350 1.00 2.08 H new ATOM 161 N GLY A 10 -7.413 -11.002 4.735 1.00 1.18 N ATOM 162 CA GLY A 10 -6.328 -11.857 5.104 1.00 1.22 C ATOM 163 C GLY A 10 -5.273 -12.098 4.080 1.00 0.99 C ATOM 164 O GLY A 10 -4.360 -12.880 4.343 1.00 1.31 O ATOM 0 H GLY A 10 -7.166 -10.275 4.064 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.851 -11.435 5.988 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.742 -12.822 5.396 1.00 1.22 H new ATOM 168 N LYS A 11 -5.392 -11.534 2.865 1.00 0.73 N ATOM 169 CA LYS A 11 -4.416 -11.808 1.857 1.00 0.60 C ATOM 170 C LYS A 11 -3.196 -10.996 2.125 1.00 0.51 C ATOM 171 O LYS A 11 -3.319 -9.879 2.626 1.00 0.63 O ATOM 172 CB LYS A 11 -5.010 -11.450 0.484 1.00 0.75 C ATOM 173 CG LYS A 11 -4.138 -11.601 -0.763 1.00 0.87 C ATOM 174 CD LYS A 11 -4.913 -11.254 -2.035 1.00 1.04 C ATOM 175 CE LYS A 11 -5.822 -12.391 -2.506 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.403 -12.071 -3.829 1.00 1.40 N ATOM 0 H LYS A 11 -6.144 -10.904 2.585 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.144 -12.863 1.865 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.899 -12.064 0.340 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.342 -10.413 0.530 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.266 -10.953 -0.679 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.769 -12.625 -0.828 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.516 -10.364 -1.856 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.208 -11.007 -2.828 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.253 -13.319 -2.566 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -6.619 -12.552 -1.781 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -7.313 -12.564 -3.937 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.554 -11.045 -3.903 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.751 -12.380 -4.578 1.00 1.40 H new ATOM 190 N THR A 12 -1.959 -11.497 1.963 1.00 0.49 N ATOM 191 CA THR A 12 -0.806 -10.653 2.000 1.00 0.48 C ATOM 192 C THR A 12 -0.380 -10.501 0.580 1.00 0.52 C ATOM 193 O THR A 12 0.192 -11.435 0.021 1.00 0.72 O ATOM 194 CB THR A 12 0.302 -11.328 2.752 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.003 -11.693 4.090 1.00 0.77 O ATOM 196 CG2 THR A 12 1.568 -10.454 2.738 1.00 0.78 C ATOM 0 H THR A 12 -1.757 -12.485 1.807 1.00 0.49 H new ATOM 0 HA THR A 12 -1.027 -9.702 2.484 1.00 0.48 H new ATOM 0 HB THR A 12 0.463 -12.266 2.220 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.776 -12.126 4.497 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.364 -10.957 3.288 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.886 -10.290 1.708 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.353 -9.494 3.208 1.00 0.78 H new ATOM 204 N ILE A 13 -0.480 -9.317 -0.050 1.00 0.48 N ATOM 205 CA ILE A 13 -0.050 -9.109 -1.398 1.00 0.55 C ATOM 206 C ILE A 13 1.349 -8.620 -1.243 1.00 0.51 C ATOM 207 O ILE A 13 1.577 -7.480 -0.844 1.00 0.56 O ATOM 208 CB ILE A 13 -0.838 -8.168 -2.263 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.355 -8.236 -2.016 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.548 -8.534 -3.728 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.083 -6.937 -2.357 1.00 1.55 C ATOM 0 H ILE A 13 -0.870 -8.483 0.389 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.181 -10.045 -1.942 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.533 -7.150 -2.021 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.777 -9.047 -2.610 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.535 -8.481 -0.969 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.106 -7.868 -4.387 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.519 -8.429 -3.925 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.851 -9.565 -3.912 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.149 -7.054 -2.160 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.688 -6.127 -1.745 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.933 -6.702 -3.411 1.00 1.55 H new ATOM 223 N THR A 14 2.329 -9.491 -1.545 1.00 0.55 N ATOM 224 CA THR A 14 3.730 -9.204 -1.521 1.00 0.54 C ATOM 225 C THR A 14 4.313 -8.578 -2.740 1.00 0.55 C ATOM 226 O THR A 14 4.459 -9.306 -3.720 1.00 0.72 O ATOM 227 CB THR A 14 4.627 -10.349 -1.155 1.00 0.67 C ATOM 228 OG1 THR A 14 4.163 -10.946 0.046 1.00 1.08 O ATOM 229 CG2 THR A 14 6.113 -9.989 -0.984 1.00 1.03 C ATOM 0 H THR A 14 2.131 -10.452 -1.822 1.00 0.55 H new ATOM 0 HA THR A 14 3.716 -8.466 -0.719 1.00 0.54 H new ATOM 0 HB THR A 14 4.578 -11.034 -2.002 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.747 -11.695 0.286 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.676 -10.884 -0.720 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.498 -9.580 -1.918 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.219 -9.247 -0.192 1.00 1.03 H new ATOM 237 N LEU A 15 4.678 -7.283 -2.750 1.00 0.50 N ATOM 238 CA LEU A 15 5.142 -6.640 -3.939 1.00 0.55 C ATOM 239 C LEU A 15 6.618 -6.479 -3.815 1.00 0.52 C ATOM 240 O LEU A 15 7.167 -5.990 -2.828 1.00 0.58 O ATOM 241 CB LEU A 15 4.488 -5.258 -4.105 1.00 0.69 C ATOM 242 CG LEU A 15 2.952 -5.304 -4.152 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.453 -3.850 -4.166 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.333 -6.018 -5.366 1.00 1.55 C ATOM 0 H LEU A 15 4.651 -6.679 -1.929 1.00 0.50 H new ATOM 0 HA LEU A 15 4.882 -7.241 -4.810 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.799 -4.617 -3.280 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.857 -4.799 -5.022 1.00 0.69 H new ATOM 0 HG LEU A 15 2.644 -5.884 -3.282 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.364 -3.840 -4.199 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.793 -3.340 -3.265 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.848 -3.338 -5.044 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.246 -5.987 -5.291 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.648 -5.518 -6.282 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.666 -7.056 -5.387 1.00 1.55 H new ATOM 256 N GLU A 16 7.314 -6.776 -4.927 1.00 0.59 N ATOM 257 CA GLU A 16 8.695 -6.475 -5.139 1.00 0.63 C ATOM 258 C GLU A 16 8.800 -5.108 -5.721 1.00 0.65 C ATOM 259 O GLU A 16 8.676 -4.856 -6.918 1.00 0.81 O ATOM 260 CB GLU A 16 9.206 -7.547 -6.117 1.00 0.76 C ATOM 261 CG GLU A 16 10.710 -7.474 -6.386 1.00 1.41 C ATOM 262 CD GLU A 16 11.657 -7.866 -5.261 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.625 -9.102 -5.016 1.00 1.92 O ATOM 264 OE2 GLU A 16 12.410 -7.053 -4.660 1.00 1.95 O ATOM 0 H GLU A 16 6.888 -7.253 -5.722 1.00 0.59 H new ATOM 0 HA GLU A 16 9.284 -6.486 -4.222 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.966 -8.533 -5.718 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.672 -7.446 -7.062 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.927 -8.112 -7.243 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.947 -6.452 -6.681 1.00 1.41 H new ATOM 271 N VAL A 17 8.930 -4.083 -4.860 1.00 0.61 N ATOM 272 CA VAL A 17 8.974 -2.682 -5.142 1.00 0.63 C ATOM 273 C VAL A 17 10.396 -2.244 -5.217 1.00 0.65 C ATOM 274 O VAL A 17 11.307 -3.012 -4.911 1.00 0.76 O ATOM 275 CB VAL A 17 8.224 -1.847 -4.147 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.754 -2.254 -4.349 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.724 -2.146 -2.723 1.00 0.92 C ATOM 0 H VAL A 17 9.013 -4.259 -3.859 1.00 0.61 H new ATOM 0 HA VAL A 17 8.474 -2.530 -6.098 1.00 0.63 H new ATOM 0 HB VAL A 17 8.362 -0.775 -4.285 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.123 -1.692 -3.660 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.454 -2.038 -5.374 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.642 -3.321 -4.156 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.173 -1.535 -2.008 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.567 -3.200 -2.496 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.787 -1.915 -2.655 1.00 0.92 H new ATOM 287 N GLU A 18 10.559 -0.953 -5.557 1.00 0.68 N ATOM 288 CA GLU A 18 11.800 -0.295 -5.285 1.00 0.74 C ATOM 289 C GLU A 18 11.546 0.829 -4.341 1.00 0.71 C ATOM 290 O GLU A 18 10.450 1.386 -4.301 1.00 0.74 O ATOM 291 CB GLU A 18 12.491 0.280 -6.533 1.00 0.88 C ATOM 292 CG GLU A 18 13.144 -0.912 -7.238 1.00 1.16 C ATOM 293 CD GLU A 18 13.698 -0.473 -8.585 1.00 1.71 C ATOM 294 OE1 GLU A 18 12.859 0.135 -9.302 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.899 -0.688 -8.900 1.00 2.33 O ATOM 0 H GLU A 18 9.850 -0.375 -6.010 1.00 0.68 H new ATOM 0 HA GLU A 18 12.466 -1.051 -4.869 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.771 0.773 -7.186 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.236 1.027 -6.258 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.945 -1.318 -6.620 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.413 -1.709 -7.377 1.00 1.16 H new ATOM 302 N PRO A 19 12.389 1.313 -3.477 1.00 0.74 N ATOM 303 CA PRO A 19 12.012 2.268 -2.476 1.00 0.74 C ATOM 304 C PRO A 19 11.783 3.654 -2.975 1.00 0.70 C ATOM 305 O PRO A 19 11.170 4.523 -2.359 1.00 0.74 O ATOM 306 CB PRO A 19 13.182 2.297 -1.494 1.00 0.86 C ATOM 307 CG PRO A 19 14.369 1.753 -2.304 1.00 0.95 C ATOM 308 CD PRO A 19 13.722 0.762 -3.284 1.00 0.82 C ATOM 0 HA PRO A 19 11.057 1.960 -2.050 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.375 3.308 -1.135 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.982 1.680 -0.618 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.893 2.551 -2.830 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.099 1.261 -1.662 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.274 0.704 -4.222 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.686 -0.247 -2.872 1.00 0.82 H new ATOM 316 N SER A 20 12.219 3.821 -4.237 1.00 0.70 N ATOM 317 CA SER A 20 12.128 4.918 -5.149 1.00 0.74 C ATOM 318 C SER A 20 10.800 4.920 -5.825 1.00 0.71 C ATOM 319 O SER A 20 10.572 5.922 -6.500 1.00 0.80 O ATOM 320 CB SER A 20 13.212 4.825 -6.236 1.00 0.89 C ATOM 321 OG SER A 20 13.258 3.516 -6.785 1.00 1.45 O ATOM 0 H SER A 20 12.718 3.052 -4.684 1.00 0.70 H new ATOM 0 HA SER A 20 12.264 5.832 -4.571 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.007 5.549 -7.025 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.183 5.082 -5.812 1.00 0.89 H new ATOM 0 HG SER A 20 13.952 3.475 -7.476 1.00 1.45 H new ATOM 327 N ASP A 21 10.008 3.833 -5.789 1.00 0.70 N ATOM 328 CA ASP A 21 8.677 3.910 -6.305 1.00 0.73 C ATOM 329 C ASP A 21 7.823 4.780 -5.448 1.00 0.64 C ATOM 330 O ASP A 21 8.079 4.954 -4.258 1.00 0.66 O ATOM 331 CB ASP A 21 8.056 2.503 -6.306 1.00 0.87 C ATOM 332 CG ASP A 21 8.612 1.598 -7.395 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.927 2.175 -8.471 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.672 0.347 -7.260 1.00 1.50 O ATOM 0 H ASP A 21 10.279 2.924 -5.413 1.00 0.70 H new ATOM 0 HA ASP A 21 8.726 4.324 -7.312 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.227 2.038 -5.335 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.977 2.590 -6.432 1.00 0.87 H new ATOM 339 N THR A 22 6.782 5.381 -6.050 1.00 0.63 N ATOM 340 CA THR A 22 5.836 6.258 -5.432 1.00 0.58 C ATOM 341 C THR A 22 4.726 5.445 -4.858 1.00 0.53 C ATOM 342 O THR A 22 4.518 4.347 -5.372 1.00 0.58 O ATOM 343 CB THR A 22 5.281 7.343 -6.305 1.00 0.63 C ATOM 344 OG1 THR A 22 4.807 6.799 -7.528 1.00 0.70 O ATOM 345 CG2 THR A 22 6.479 8.271 -6.569 1.00 0.75 C ATOM 0 H THR A 22 6.588 5.243 -7.042 1.00 0.63 H new ATOM 0 HA THR A 22 6.392 6.791 -4.660 1.00 0.58 H new ATOM 0 HB THR A 22 4.442 7.861 -5.841 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.446 7.518 -8.088 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.165 9.099 -7.204 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.853 8.661 -5.622 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.270 7.711 -7.068 1.00 0.75 H new ATOM 353 N ILE A 23 3.852 6.003 -4.002 1.00 0.51 N ATOM 354 CA ILE A 23 2.724 5.282 -3.500 1.00 0.48 C ATOM 355 C ILE A 23 1.666 5.059 -4.526 1.00 0.48 C ATOM 356 O ILE A 23 0.984 4.039 -4.612 1.00 0.51 O ATOM 357 CB ILE A 23 2.082 6.025 -2.366 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.087 6.317 -1.238 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.802 5.320 -1.883 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.903 5.108 -0.782 1.00 0.73 C ATOM 0 H ILE A 23 3.927 6.959 -3.656 1.00 0.51 H new ATOM 0 HA ILE A 23 3.119 4.318 -3.179 1.00 0.48 H new ATOM 0 HB ILE A 23 1.764 6.999 -2.737 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.772 7.096 -1.573 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.545 6.717 -0.381 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.363 5.886 -1.061 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.088 5.260 -2.704 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.047 4.314 -1.541 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.584 5.408 0.015 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.231 4.334 -0.412 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.477 4.719 -1.623 1.00 0.73 H new ATOM 372 N GLU A 24 1.452 6.036 -5.426 1.00 0.50 N ATOM 373 CA GLU A 24 0.809 5.862 -6.692 1.00 0.53 C ATOM 374 C GLU A 24 1.115 4.611 -7.441 1.00 0.50 C ATOM 375 O GLU A 24 0.291 3.948 -8.068 1.00 0.55 O ATOM 376 CB GLU A 24 1.154 7.083 -7.561 1.00 0.64 C ATOM 377 CG GLU A 24 0.419 7.002 -8.900 1.00 0.95 C ATOM 378 CD GLU A 24 0.704 8.249 -9.724 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.527 9.145 -9.397 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.011 8.422 -10.747 1.00 1.56 O ATOM 0 H GLU A 24 1.744 6.999 -5.261 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.254 5.770 -6.471 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.876 7.999 -7.040 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.230 7.126 -7.730 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.737 6.114 -9.446 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.653 6.905 -8.731 1.00 0.95 H new ATOM 387 N ASN A 25 2.400 4.219 -7.469 1.00 0.51 N ATOM 388 CA ASN A 25 2.888 3.041 -8.116 1.00 0.52 C ATOM 389 C ASN A 25 2.559 1.863 -7.264 1.00 0.47 C ATOM 390 O ASN A 25 2.256 0.823 -7.845 1.00 0.53 O ATOM 391 CB ASN A 25 4.400 3.198 -8.350 1.00 0.64 C ATOM 392 CG ASN A 25 4.840 2.238 -9.446 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.463 1.219 -9.151 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.544 2.647 -10.709 1.00 1.57 N ATOM 0 H ASN A 25 3.140 4.754 -7.015 1.00 0.51 H new ATOM 0 HA ASN A 25 2.419 2.890 -9.088 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.631 4.224 -8.635 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.946 2.992 -7.429 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.845 2.091 -11.509 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.020 3.510 -10.856 1.00 1.57 H new ATOM 401 N VAL A 26 2.629 1.913 -5.921 1.00 0.45 N ATOM 402 CA VAL A 26 2.200 0.914 -4.992 1.00 0.44 C ATOM 403 C VAL A 26 0.772 0.516 -5.137 1.00 0.40 C ATOM 404 O VAL A 26 0.453 -0.671 -5.199 1.00 0.44 O ATOM 405 CB VAL A 26 2.565 1.227 -3.571 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.955 0.194 -2.609 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.097 1.319 -3.460 1.00 0.62 C ATOM 0 H VAL A 26 3.021 2.726 -5.446 1.00 0.45 H new ATOM 0 HA VAL A 26 2.774 0.030 -5.269 1.00 0.44 H new ATOM 0 HB VAL A 26 2.148 2.190 -3.278 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.233 0.442 -1.585 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.869 0.206 -2.703 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.329 -0.799 -2.857 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.374 1.546 -2.431 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.541 0.368 -3.754 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.463 2.108 -4.117 1.00 0.62 H new ATOM 417 N LYS A 27 -0.157 1.447 -5.411 1.00 0.40 N ATOM 418 CA LYS A 27 -1.541 1.235 -5.704 1.00 0.41 C ATOM 419 C LYS A 27 -1.856 0.840 -7.106 1.00 0.38 C ATOM 420 O LYS A 27 -2.941 0.318 -7.357 1.00 0.42 O ATOM 421 CB LYS A 27 -2.339 2.542 -5.559 1.00 0.51 C ATOM 422 CG LYS A 27 -2.315 3.041 -4.112 1.00 0.76 C ATOM 423 CD LYS A 27 -3.031 4.374 -3.883 1.00 0.82 C ATOM 424 CE LYS A 27 -3.072 4.813 -2.418 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.132 5.845 -2.393 1.00 1.11 N ATOM 0 H LYS A 27 0.083 2.438 -5.429 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.799 0.438 -5.006 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.920 3.303 -6.217 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.370 2.380 -5.875 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.772 2.285 -3.474 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.277 3.142 -3.794 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.535 5.147 -4.470 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.052 4.296 -4.257 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.308 3.980 -1.756 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.113 5.216 -2.093 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.807 6.664 -1.840 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.346 6.146 -3.365 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.990 5.451 -1.956 1.00 1.11 H new ATOM 439 N ALA A 28 -0.928 1.098 -8.044 1.00 0.39 N ATOM 440 CA ALA A 28 -1.083 0.651 -9.394 1.00 0.39 C ATOM 441 C ALA A 28 -0.842 -0.818 -9.462 1.00 0.36 C ATOM 442 O ALA A 28 -1.559 -1.582 -10.106 1.00 0.42 O ATOM 443 CB ALA A 28 -0.034 1.425 -10.210 1.00 0.51 C ATOM 0 H ALA A 28 -0.068 1.617 -7.868 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.086 0.830 -9.781 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.098 1.130 -11.257 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.222 2.495 -10.122 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.962 1.199 -9.829 1.00 0.51 H new ATOM 449 N LYS A 29 0.138 -1.340 -8.703 1.00 0.39 N ATOM 450 CA LYS A 29 0.376 -2.747 -8.609 1.00 0.43 C ATOM 451 C LYS A 29 -0.755 -3.511 -8.012 1.00 0.44 C ATOM 452 O LYS A 29 -1.037 -4.621 -8.462 1.00 0.54 O ATOM 453 CB LYS A 29 1.693 -2.984 -7.851 1.00 0.54 C ATOM 454 CG LYS A 29 2.888 -2.386 -8.596 1.00 0.65 C ATOM 455 CD LYS A 29 4.115 -3.060 -7.980 1.00 1.08 C ATOM 456 CE LYS A 29 5.466 -2.410 -8.288 1.00 1.24 C ATOM 457 NZ LYS A 29 5.677 -2.418 -9.753 1.00 1.44 N ATOM 0 H LYS A 29 0.777 -0.774 -8.144 1.00 0.39 H new ATOM 0 HA LYS A 29 0.461 -3.135 -9.624 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.626 -2.542 -6.857 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.847 -4.054 -7.715 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.825 -2.583 -9.666 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.929 -1.304 -8.473 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.985 -3.086 -6.898 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.146 -4.095 -8.322 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.488 -1.388 -7.909 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.268 -2.953 -7.788 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.628 -2.056 -9.969 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.587 -3.390 -10.111 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.965 -1.813 -10.210 1.00 1.44 H new ATOM 471 N ILE A 30 -1.555 -2.903 -7.119 1.00 0.41 N ATOM 472 CA ILE A 30 -2.792 -3.431 -6.637 1.00 0.44 C ATOM 473 C ILE A 30 -3.969 -3.310 -7.543 1.00 0.45 C ATOM 474 O ILE A 30 -4.938 -4.068 -7.518 1.00 0.56 O ATOM 475 CB ILE A 30 -2.982 -2.898 -5.248 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.894 -3.298 -4.237 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.358 -3.284 -4.679 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.788 -2.417 -2.994 1.00 1.32 C ATOM 0 H ILE A 30 -1.326 -1.996 -6.712 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.724 -4.519 -6.611 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.907 -1.818 -5.374 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -2.080 -4.324 -3.918 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.931 -3.292 -4.747 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.461 -2.881 -3.671 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.143 -2.875 -5.315 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.447 -4.370 -4.646 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.990 -2.789 -2.351 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.565 -1.392 -3.292 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.732 -2.440 -2.450 1.00 1.32 H new ATOM 490 N GLN A 31 -3.971 -2.338 -8.472 1.00 0.41 N ATOM 491 CA GLN A 31 -4.915 -2.096 -9.519 1.00 0.48 C ATOM 492 C GLN A 31 -4.705 -3.067 -10.630 1.00 0.52 C ATOM 493 O GLN A 31 -5.632 -3.527 -11.294 1.00 0.66 O ATOM 494 CB GLN A 31 -4.730 -0.653 -10.018 1.00 0.52 C ATOM 495 CG GLN A 31 -5.538 -0.178 -11.227 1.00 0.70 C ATOM 496 CD GLN A 31 -7.047 -0.193 -11.029 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.682 0.855 -10.919 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.660 -1.406 -10.985 1.00 1.43 N ATOM 0 H GLN A 31 -3.224 -1.644 -8.488 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.931 -2.226 -9.146 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.958 0.014 -9.187 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.674 -0.519 -10.254 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.228 0.836 -11.478 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -5.291 -0.807 -12.082 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.109 -2.259 -11.079 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -8.671 -1.462 -10.858 1.00 1.43 H new ATOM 507 N ASP A 32 -3.440 -3.491 -10.797 1.00 0.50 N ATOM 508 CA ASP A 32 -3.078 -4.520 -11.722 1.00 0.60 C ATOM 509 C ASP A 32 -3.428 -5.877 -11.217 1.00 0.65 C ATOM 510 O ASP A 32 -4.146 -6.657 -11.843 1.00 0.81 O ATOM 511 CB ASP A 32 -1.578 -4.414 -12.048 1.00 0.67 C ATOM 512 CG ASP A 32 -1.100 -5.130 -13.304 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.709 -5.030 -14.403 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.129 -5.914 -13.136 1.00 1.55 O ATOM 0 H ASP A 32 -2.650 -3.110 -10.277 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.653 -4.375 -12.636 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.323 -3.358 -12.140 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.017 -4.804 -11.199 1.00 0.67 H new ATOM 519 N LYS A 33 -3.150 -6.129 -9.926 1.00 0.62 N ATOM 520 CA LYS A 33 -3.321 -7.433 -9.365 1.00 0.73 C ATOM 521 C LYS A 33 -4.734 -7.793 -9.057 1.00 0.69 C ATOM 522 O LYS A 33 -5.334 -8.657 -9.695 1.00 0.83 O ATOM 523 CB LYS A 33 -2.538 -7.633 -8.057 1.00 0.85 C ATOM 524 CG LYS A 33 -1.066 -7.949 -8.333 1.00 1.31 C ATOM 525 CD LYS A 33 -0.803 -9.457 -8.344 1.00 1.71 C ATOM 526 CE LYS A 33 0.621 -10.013 -8.398 1.00 2.26 C ATOM 527 NZ LYS A 33 1.299 -9.530 -9.621 1.00 2.62 N ATOM 0 H LYS A 33 -2.806 -5.428 -9.269 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.940 -8.077 -10.158 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.611 -6.733 -7.446 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.985 -8.445 -7.483 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.776 -7.522 -9.293 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.444 -7.477 -7.573 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.271 -9.868 -7.450 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.337 -9.867 -9.201 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.178 -9.700 -7.514 1.00 2.26 H new ATOM 0 HE3 LYS A 33 0.597 -11.103 -8.390 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.267 -9.910 -9.655 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.772 -9.849 -10.459 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.335 -8.491 -9.610 1.00 2.62 H new ATOM 541 N GLU A 34 -5.278 -7.108 -8.036 1.00 0.63 N ATOM 542 CA GLU A 34 -6.566 -7.414 -7.495 1.00 0.67 C ATOM 543 C GLU A 34 -7.687 -6.855 -8.300 1.00 0.69 C ATOM 544 O GLU A 34 -8.609 -7.574 -8.685 1.00 0.95 O ATOM 545 CB GLU A 34 -6.641 -6.892 -6.051 1.00 0.73 C ATOM 546 CG GLU A 34 -5.596 -7.477 -5.099 1.00 0.83 C ATOM 547 CD GLU A 34 -5.675 -8.982 -4.890 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.729 -9.485 -4.418 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.721 -9.643 -5.381 1.00 1.48 O ATOM 0 H GLU A 34 -4.814 -6.325 -7.576 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.681 -8.498 -7.519 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.531 -5.808 -6.066 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.633 -7.106 -5.654 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.604 -7.231 -5.479 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.696 -6.987 -4.131 1.00 0.83 H new ATOM 556 N GLY A 35 -7.556 -5.543 -8.566 1.00 0.63 N ATOM 557 CA GLY A 35 -8.466 -4.816 -9.394 1.00 0.68 C ATOM 558 C GLY A 35 -9.279 -3.860 -8.592 1.00 0.76 C ATOM 559 O GLY A 35 -10.487 -3.698 -8.759 1.00 1.12 O ATOM 0 H GLY A 35 -6.796 -4.973 -8.195 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.911 -4.273 -10.159 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.125 -5.512 -9.913 1.00 0.68 H new ATOM 563 N ILE A 36 -8.569 -3.185 -7.671 1.00 0.70 N ATOM 564 CA ILE A 36 -9.101 -2.235 -6.742 1.00 0.76 C ATOM 565 C ILE A 36 -8.727 -0.878 -7.230 1.00 0.71 C ATOM 566 O ILE A 36 -7.623 -0.662 -7.725 1.00 0.73 O ATOM 567 CB ILE A 36 -8.593 -2.423 -5.343 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.869 -3.840 -4.816 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.140 -1.396 -4.336 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.951 -4.220 -3.655 1.00 1.16 C ATOM 0 H ILE A 36 -7.562 -3.310 -7.569 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.181 -2.372 -6.692 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.518 -2.264 -5.423 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.907 -3.908 -4.492 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.741 -4.557 -5.627 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.726 -1.599 -3.348 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.855 -0.392 -4.649 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.227 -1.469 -4.296 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.187 -5.230 -3.320 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.913 -4.180 -3.984 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.097 -3.521 -2.832 1.00 1.16 H new ATOM 582 N PRO A 37 -9.547 0.128 -7.315 1.00 0.75 N ATOM 583 CA PRO A 37 -9.229 1.436 -7.806 1.00 0.79 C ATOM 584 C PRO A 37 -8.347 2.176 -6.860 1.00 0.75 C ATOM 585 O PRO A 37 -8.517 2.091 -5.644 1.00 0.75 O ATOM 586 CB PRO A 37 -10.540 2.220 -7.827 1.00 0.95 C ATOM 587 CG PRO A 37 -11.660 1.175 -7.942 1.00 1.02 C ATOM 588 CD PRO A 37 -10.986 -0.084 -7.373 1.00 0.85 C ATOM 0 HA PRO A 37 -8.738 1.339 -8.774 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.653 2.814 -6.920 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.566 2.913 -8.668 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.543 1.459 -7.369 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.982 1.034 -8.974 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.374 -0.300 -6.378 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.214 -0.947 -7.999 1.00 0.85 H new ATOM 596 N PRO A 38 -7.355 2.900 -7.287 1.00 0.81 N ATOM 597 CA PRO A 38 -6.379 3.429 -6.380 1.00 0.85 C ATOM 598 C PRO A 38 -6.924 4.530 -5.537 1.00 0.89 C ATOM 599 O PRO A 38 -6.357 4.828 -4.488 1.00 0.99 O ATOM 600 CB PRO A 38 -5.227 4.028 -7.183 1.00 1.01 C ATOM 601 CG PRO A 38 -5.366 3.304 -8.532 1.00 1.25 C ATOM 602 CD PRO A 38 -6.800 2.759 -8.625 1.00 0.98 C ATOM 0 HA PRO A 38 -6.063 2.605 -5.739 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.322 5.109 -7.288 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.261 3.837 -6.715 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.163 3.988 -9.356 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.643 2.492 -8.606 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.386 3.318 -9.354 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.804 1.717 -8.944 1.00 0.98 H new ATOM 610 N ASP A 39 -8.038 5.168 -5.941 1.00 0.96 N ATOM 611 CA ASP A 39 -8.835 6.017 -5.111 1.00 1.11 C ATOM 612 C ASP A 39 -9.455 5.341 -3.937 1.00 1.00 C ATOM 613 O ASP A 39 -9.510 5.961 -2.875 1.00 1.14 O ATOM 614 CB ASP A 39 -9.810 6.824 -5.985 1.00 1.39 C ATOM 615 CG ASP A 39 -9.046 7.832 -6.833 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.441 8.748 -6.216 1.00 2.25 O ATOM 617 OD2 ASP A 39 -8.974 7.620 -8.073 1.00 2.23 O ATOM 0 H ASP A 39 -8.399 5.088 -6.891 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.167 6.726 -4.622 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.375 6.150 -6.629 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.532 7.342 -5.354 1.00 1.39 H new ATOM 622 N GLN A 40 -9.863 4.066 -4.063 1.00 0.87 N ATOM 623 CA GLN A 40 -10.486 3.318 -3.016 1.00 0.84 C ATOM 624 C GLN A 40 -9.499 2.628 -2.139 1.00 0.67 C ATOM 625 O GLN A 40 -9.868 2.237 -1.032 1.00 0.80 O ATOM 626 CB GLN A 40 -11.425 2.228 -3.558 1.00 0.95 C ATOM 627 CG GLN A 40 -12.634 2.769 -4.326 1.00 1.32 C ATOM 628 CD GLN A 40 -13.682 1.692 -4.562 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.881 1.216 -5.679 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.453 1.339 -3.499 1.00 2.02 N ATOM 0 H GLN A 40 -9.755 3.536 -4.928 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.045 4.062 -2.447 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.857 1.568 -4.214 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.779 1.622 -2.724 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.079 3.593 -3.769 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.305 3.172 -5.284 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.272 1.745 -2.581 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.212 0.668 -3.620 1.00 2.02 H new ATOM 639 N GLN A 41 -8.213 2.503 -2.510 1.00 0.56 N ATOM 640 CA GLN A 41 -7.213 1.851 -1.723 1.00 0.51 C ATOM 641 C GLN A 41 -6.682 2.847 -0.749 1.00 0.49 C ATOM 642 O GLN A 41 -5.992 3.802 -1.101 1.00 0.65 O ATOM 643 CB GLN A 41 -5.979 1.596 -2.604 1.00 0.67 C ATOM 644 CG GLN A 41 -6.261 0.429 -3.553 1.00 0.69 C ATOM 645 CD GLN A 41 -5.054 0.219 -4.455 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.904 0.148 -4.022 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.244 0.076 -5.794 1.00 0.61 N ATOM 0 H GLN A 41 -7.856 2.870 -3.392 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.644 0.952 -1.282 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.735 2.492 -3.175 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.114 1.370 -1.980 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.467 -0.477 -2.984 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.147 0.637 -4.153 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.185 0.130 -6.184 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.446 -0.085 -6.408 1.00 0.61 H new ATOM 656 N ARG A 42 -6.982 2.566 0.531 1.00 0.47 N ATOM 657 CA ARG A 42 -6.302 3.232 1.598 1.00 0.55 C ATOM 658 C ARG A 42 -5.138 2.377 1.964 1.00 0.46 C ATOM 659 O ARG A 42 -5.344 1.167 2.040 1.00 0.52 O ATOM 660 CB ARG A 42 -7.168 3.427 2.854 1.00 0.73 C ATOM 661 CG ARG A 42 -8.192 4.542 2.622 1.00 1.04 C ATOM 662 CD ARG A 42 -9.013 4.931 3.853 1.00 1.28 C ATOM 663 NE ARG A 42 -9.904 3.809 4.262 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.152 3.330 5.517 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.399 3.544 6.636 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.199 2.458 5.597 1.00 2.78 N ATOM 0 H ARG A 42 -7.685 1.888 0.825 1.00 0.47 H new ATOM 0 HA ARG A 42 -6.021 4.227 1.253 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.681 2.497 3.099 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.535 3.676 3.706 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.668 5.426 2.259 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.875 4.229 1.832 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.346 5.192 4.675 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -9.610 5.816 3.634 1.00 1.28 H new ATOM 0 HE ARG A 42 -10.394 3.335 3.503 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -8.555 4.114 6.581 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -9.681 3.134 7.527 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.725 2.214 4.758 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.456 2.050 6.496 1.00 2.78 H new ATOM 680 N LEU A 43 -3.907 2.882 2.164 1.00 0.46 N ATOM 681 CA LEU A 43 -2.776 2.108 2.573 1.00 0.42 C ATOM 682 C LEU A 43 -2.273 2.865 3.754 1.00 0.43 C ATOM 683 O LEU A 43 -1.880 4.026 3.674 1.00 0.55 O ATOM 684 CB LEU A 43 -1.756 2.121 1.422 1.00 0.55 C ATOM 685 CG LEU A 43 -2.078 1.446 0.078 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.977 1.763 -0.949 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.267 -0.066 0.283 1.00 1.12 C ATOM 0 H LEU A 43 -3.691 3.871 2.035 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.983 1.065 2.812 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.526 3.165 1.209 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.841 1.664 1.799 1.00 0.55 H new ATOM 0 HG LEU A 43 -3.014 1.841 -0.318 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.214 1.281 -1.897 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.916 2.841 -1.096 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -0.020 1.392 -0.583 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.495 -0.537 -0.673 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.351 -0.495 0.690 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.089 -0.239 0.978 1.00 1.12 H new ATOM 699 N ILE A 44 -2.142 2.153 4.888 1.00 0.42 N ATOM 700 CA ILE A 44 -1.700 2.678 6.143 1.00 0.46 C ATOM 701 C ILE A 44 -0.407 1.998 6.434 1.00 0.42 C ATOM 702 O ILE A 44 -0.374 0.788 6.215 1.00 0.53 O ATOM 703 CB ILE A 44 -2.634 2.339 7.268 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.140 2.570 7.063 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.265 3.081 8.564 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.542 3.948 6.540 1.00 1.27 C ATOM 0 H ILE A 44 -2.356 1.157 4.931 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.635 3.764 6.073 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.486 1.260 7.319 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.511 1.817 6.368 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.646 2.403 8.014 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.966 2.807 9.352 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.254 2.806 8.866 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.313 4.157 8.394 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.626 3.995 6.435 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.212 4.714 7.242 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.076 4.119 5.570 1.00 1.27 H new ATOM 718 N PHE A 45 0.658 2.660 6.922 1.00 0.42 N ATOM 719 CA PHE A 45 1.857 2.035 7.387 1.00 0.46 C ATOM 720 C PHE A 45 2.086 2.485 8.789 1.00 0.68 C ATOM 721 O PHE A 45 2.292 3.672 9.042 1.00 1.50 O ATOM 722 CB PHE A 45 3.022 2.443 6.470 1.00 0.56 C ATOM 723 CG PHE A 45 4.388 2.086 6.943 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.654 0.745 7.089 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.310 3.063 7.242 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.864 0.347 7.606 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.561 2.659 7.642 1.00 1.33 C ATOM 728 CZ PHE A 45 6.832 1.314 7.740 1.00 1.02 C ATOM 0 H PHE A 45 0.684 3.677 6.995 1.00 0.42 H new ATOM 0 HA PHE A 45 1.778 0.948 7.366 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.867 1.983 5.494 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.981 3.522 6.324 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.918 0.010 6.800 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.059 4.111 7.165 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.046 -0.678 7.894 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.322 3.389 7.877 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.849 1.004 7.930 1.00 1.02 H new ATOM 738 N ALA A 46 1.882 1.626 9.803 1.00 0.81 N ATOM 739 CA ALA A 46 1.934 1.962 11.192 1.00 0.96 C ATOM 740 C ALA A 46 0.760 2.730 11.697 1.00 0.97 C ATOM 741 O ALA A 46 -0.170 2.264 12.354 1.00 1.21 O ATOM 742 CB ALA A 46 3.307 2.463 11.672 1.00 1.20 C ATOM 0 H ALA A 46 1.669 0.641 9.644 1.00 0.81 H new ATOM 0 HA ALA A 46 1.825 1.003 11.699 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.258 2.695 12.736 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.056 1.689 11.504 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.581 3.360 11.117 1.00 1.20 H new ATOM 748 N GLY A 47 0.768 4.033 11.365 1.00 0.99 N ATOM 749 CA GLY A 47 -0.167 5.067 11.684 1.00 1.10 C ATOM 750 C GLY A 47 -0.246 6.183 10.701 1.00 1.03 C ATOM 751 O GLY A 47 -1.117 7.043 10.827 1.00 1.30 O ATOM 0 H GLY A 47 1.531 4.405 10.799 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.157 4.621 11.782 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.094 5.481 12.658 1.00 1.10 H new ATOM 755 N LYS A 48 0.569 6.114 9.634 1.00 0.98 N ATOM 756 CA LYS A 48 0.636 7.097 8.596 1.00 1.05 C ATOM 757 C LYS A 48 0.103 6.546 7.318 1.00 0.84 C ATOM 758 O LYS A 48 0.717 5.666 6.716 1.00 0.81 O ATOM 759 CB LYS A 48 2.089 7.574 8.425 1.00 1.42 C ATOM 760 CG LYS A 48 2.539 8.556 9.509 1.00 1.61 C ATOM 761 CD LYS A 48 3.885 9.194 9.161 1.00 1.87 C ATOM 762 CE LYS A 48 5.219 8.495 9.434 1.00 2.22 C ATOM 763 NZ LYS A 48 6.345 9.454 9.452 1.00 2.55 N ATOM 0 H LYS A 48 1.212 5.336 9.487 1.00 0.98 H new ATOM 0 HA LYS A 48 0.019 7.951 8.874 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.751 6.708 8.433 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.195 8.048 7.449 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.786 9.335 9.631 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.617 8.036 10.464 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.860 9.413 8.094 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.921 10.151 9.682 1.00 1.87 H new ATOM 0 HE2 LYS A 48 5.168 7.975 10.391 1.00 2.22 H new ATOM 0 HE3 LYS A 48 5.397 7.739 8.669 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 7.232 8.944 9.640 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.409 9.932 8.531 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 6.187 10.161 10.198 1.00 2.55 H new ATOM 777 N GLN A 49 -1.026 7.074 6.814 1.00 0.84 N ATOM 778 CA GLN A 49 -1.615 6.691 5.569 1.00 0.80 C ATOM 779 C GLN A 49 -0.953 7.358 4.413 1.00 0.72 C ATOM 780 O GLN A 49 -0.718 8.566 4.398 1.00 0.83 O ATOM 781 CB GLN A 49 -3.087 7.136 5.611 1.00 1.03 C ATOM 782 CG GLN A 49 -3.796 7.039 4.259 1.00 1.67 C ATOM 783 CD GLN A 49 -5.304 7.237 4.225 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.142 6.342 4.121 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.704 8.508 4.496 1.00 2.48 N ATOM 0 H GLN A 49 -1.553 7.802 7.297 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.507 5.614 5.438 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.622 6.524 6.337 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.136 8.166 5.964 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.348 7.777 3.594 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.579 6.057 3.838 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.012 9.253 4.583 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.696 8.717 4.612 1.00 2.48 H new ATOM 794 N LEU A 50 -0.548 6.528 3.435 1.00 0.69 N ATOM 795 CA LEU A 50 0.404 6.881 2.427 1.00 0.66 C ATOM 796 C LEU A 50 -0.014 7.689 1.247 1.00 0.72 C ATOM 797 O LEU A 50 -0.897 7.352 0.460 1.00 0.90 O ATOM 798 CB LEU A 50 1.089 5.576 1.987 1.00 0.65 C ATOM 799 CG LEU A 50 1.764 4.655 3.019 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.317 3.381 2.361 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.875 5.351 3.824 1.00 0.74 C ATOM 0 H LEU A 50 -0.897 5.574 3.343 1.00 0.69 H new ATOM 0 HA LEU A 50 1.058 7.603 2.915 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.339 4.980 1.467 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.848 5.844 1.252 1.00 0.65 H new ATOM 0 HG LEU A 50 0.977 4.384 3.723 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.787 2.754 3.119 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.502 2.832 1.890 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.055 3.652 1.606 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.308 4.645 4.533 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.650 5.704 3.144 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.455 6.198 4.367 1.00 0.74 H new ATOM 813 N GLU A 51 0.608 8.868 1.070 1.00 0.70 N ATOM 814 CA GLU A 51 0.304 9.809 0.037 1.00 0.76 C ATOM 815 C GLU A 51 0.869 9.444 -1.293 1.00 0.77 C ATOM 816 O GLU A 51 2.023 9.043 -1.434 1.00 1.23 O ATOM 817 CB GLU A 51 0.543 11.238 0.552 1.00 0.88 C ATOM 818 CG GLU A 51 -0.325 11.469 1.791 1.00 1.35 C ATOM 819 CD GLU A 51 -0.449 12.882 2.344 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.678 13.882 1.612 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.303 12.968 3.592 1.00 1.89 O ATOM 0 H GLU A 51 1.363 9.181 1.680 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.760 9.771 -0.198 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.596 11.379 0.797 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.296 11.964 -0.222 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.330 11.115 1.561 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.062 10.835 2.589 1.00 1.35 H new ATOM 828 N ASP A 52 0.008 9.672 -2.301 1.00 0.66 N ATOM 829 CA ASP A 52 0.198 9.264 -3.659 1.00 0.65 C ATOM 830 C ASP A 52 1.427 9.839 -4.275 1.00 0.60 C ATOM 831 O ASP A 52 2.143 9.174 -5.022 1.00 0.62 O ATOM 832 CB ASP A 52 -1.083 9.437 -4.493 1.00 0.81 C ATOM 833 CG ASP A 52 -2.061 10.581 -4.269 1.00 0.95 C ATOM 834 OD1 ASP A 52 -1.713 11.731 -4.647 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.159 10.330 -3.704 1.00 1.44 O ATOM 0 H ASP A 52 -0.871 10.170 -2.160 1.00 0.66 H new ATOM 0 HA ASP A 52 0.391 8.191 -3.650 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.770 9.495 -5.535 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.653 8.514 -4.382 1.00 0.81 H new ATOM 840 N GLY A 53 1.680 11.147 -4.087 1.00 0.68 N ATOM 841 CA GLY A 53 2.851 11.843 -4.523 1.00 0.73 C ATOM 842 C GLY A 53 4.007 11.858 -3.583 1.00 0.72 C ATOM 843 O GLY A 53 4.913 12.680 -3.698 1.00 0.97 O ATOM 0 H GLY A 53 1.024 11.757 -3.599 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.181 11.399 -5.462 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.574 12.875 -4.738 1.00 0.73 H new ATOM 847 N ARG A 54 4.056 10.836 -2.708 1.00 0.64 N ATOM 848 CA ARG A 54 5.229 10.524 -1.953 1.00 0.63 C ATOM 849 C ARG A 54 5.790 9.214 -2.387 1.00 0.59 C ATOM 850 O ARG A 54 5.187 8.408 -3.094 1.00 0.62 O ATOM 851 CB ARG A 54 4.891 10.439 -0.455 1.00 0.69 C ATOM 852 CG ARG A 54 4.375 11.777 0.081 1.00 0.82 C ATOM 853 CD ARG A 54 5.426 12.889 0.072 1.00 1.18 C ATOM 854 NE ARG A 54 4.740 14.110 0.580 1.00 1.50 N ATOM 855 CZ ARG A 54 5.190 15.379 0.351 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.522 15.639 0.205 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.367 16.463 0.250 1.00 2.49 N ATOM 0 H ARG A 54 3.267 10.216 -2.522 1.00 0.64 H new ATOM 0 HA ARG A 54 5.961 11.314 -2.123 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.139 9.667 -0.294 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.779 10.140 0.103 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.520 12.092 -0.517 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.017 11.636 1.101 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.275 12.628 0.704 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.814 13.050 -0.934 1.00 1.18 H new ATOM 0 HE ARG A 54 3.888 13.992 1.128 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.200 14.879 0.266 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.840 16.593 0.034 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.358 16.348 0.347 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.761 17.388 0.078 1.00 2.49 H new ATOM 871 N THR A 55 7.035 8.899 -1.986 1.00 0.63 N ATOM 872 CA THR A 55 7.707 7.663 -2.241 1.00 0.61 C ATOM 873 C THR A 55 7.612 6.865 -0.986 1.00 0.59 C ATOM 874 O THR A 55 7.170 7.303 0.075 1.00 0.64 O ATOM 875 CB THR A 55 9.145 7.758 -2.657 1.00 0.68 C ATOM 876 OG1 THR A 55 9.890 8.671 -1.864 1.00 0.75 O ATOM 877 CG2 THR A 55 9.201 8.374 -4.066 1.00 0.76 C ATOM 0 H THR A 55 7.608 9.550 -1.449 1.00 0.63 H new ATOM 0 HA THR A 55 7.215 7.209 -3.101 1.00 0.61 H new ATOM 0 HB THR A 55 9.554 6.751 -2.575 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.691 8.226 -1.518 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.239 8.452 -4.388 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.652 7.740 -4.762 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.751 9.367 -4.047 1.00 0.76 H new ATOM 885 N LEU A 56 7.982 5.574 -1.070 1.00 0.58 N ATOM 886 CA LEU A 56 8.124 4.665 0.025 1.00 0.59 C ATOM 887 C LEU A 56 9.236 5.050 0.939 1.00 0.64 C ATOM 888 O LEU A 56 9.238 4.912 2.162 1.00 0.70 O ATOM 889 CB LEU A 56 8.406 3.283 -0.587 1.00 0.60 C ATOM 890 CG LEU A 56 7.190 2.694 -1.324 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.570 1.517 -2.238 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.106 2.311 -0.302 1.00 1.03 C ATOM 0 H LEU A 56 8.197 5.136 -1.966 1.00 0.58 H new ATOM 0 HA LEU A 56 7.215 4.670 0.627 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.242 3.363 -1.282 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.713 2.597 0.203 1.00 0.60 H new ATOM 0 HG LEU A 56 6.788 3.459 -1.988 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.676 1.138 -2.734 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.286 1.855 -2.988 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.018 0.723 -1.641 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.245 1.894 -0.824 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.505 1.570 0.391 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.799 3.198 0.253 1.00 1.03 H new ATOM 904 N SER A 57 10.363 5.549 0.402 1.00 0.68 N ATOM 905 CA SER A 57 11.562 5.948 1.072 1.00 0.75 C ATOM 906 C SER A 57 11.419 7.041 2.075 1.00 0.76 C ATOM 907 O SER A 57 12.024 6.977 3.144 1.00 0.84 O ATOM 908 CB SER A 57 12.651 6.341 0.060 1.00 0.84 C ATOM 909 OG SER A 57 12.140 7.255 -0.900 1.00 1.19 O ATOM 0 H SER A 57 10.440 5.686 -0.606 1.00 0.68 H new ATOM 0 HA SER A 57 11.844 5.061 1.639 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.495 6.790 0.583 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.025 5.449 -0.443 1.00 0.84 H new ATOM 0 HG SER A 57 12.848 7.494 -1.534 1.00 1.19 H new ATOM 915 N ASP A 58 10.613 8.067 1.752 1.00 0.75 N ATOM 916 CA ASP A 58 10.172 9.088 2.650 1.00 0.78 C ATOM 917 C ASP A 58 9.517 8.660 3.918 1.00 0.77 C ATOM 918 O ASP A 58 9.900 9.163 4.973 1.00 0.86 O ATOM 919 CB ASP A 58 9.270 9.976 1.776 1.00 0.83 C ATOM 920 CG ASP A 58 9.025 11.323 2.441 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.026 11.962 2.864 1.00 1.86 O ATOM 922 OD2 ASP A 58 7.847 11.767 2.407 1.00 1.90 O ATOM 0 H ASP A 58 10.248 8.191 0.808 1.00 0.75 H new ATOM 0 HA ASP A 58 11.039 9.600 3.067 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.735 10.126 0.802 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.318 9.474 1.601 1.00 0.83 H new ATOM 927 N TYR A 59 8.527 7.756 3.807 1.00 0.72 N ATOM 928 CA TYR A 59 7.895 7.145 4.935 1.00 0.73 C ATOM 929 C TYR A 59 8.712 6.220 5.768 1.00 0.76 C ATOM 930 O TYR A 59 8.261 5.772 6.820 1.00 0.89 O ATOM 931 CB TYR A 59 6.569 6.520 4.470 1.00 0.73 C ATOM 932 CG TYR A 59 5.563 7.569 4.142 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.065 8.353 5.156 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.113 7.677 2.847 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.991 9.158 4.856 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.021 8.479 2.610 1.00 0.70 C ATOM 937 CZ TYR A 59 3.444 9.242 3.597 1.00 0.74 C ATOM 938 OH TYR A 59 2.413 10.146 3.267 1.00 0.86 O ATOM 0 H TYR A 59 8.157 7.442 2.910 1.00 0.72 H new ATOM 0 HA TYR A 59 7.723 7.951 5.649 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.746 5.896 3.594 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.177 5.869 5.251 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.498 8.337 6.145 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.602 7.149 2.042 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.557 9.752 5.646 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.603 8.510 1.615 1.00 0.70 H new ATOM 0 HH TYR A 59 2.766 10.844 2.677 1.00 0.86 H new ATOM 948 N ASN A 60 9.926 5.806 5.360 1.00 0.74 N ATOM 949 CA ASN A 60 10.796 4.886 6.023 1.00 0.79 C ATOM 950 C ASN A 60 10.180 3.547 5.813 1.00 0.75 C ATOM 951 O ASN A 60 10.149 2.781 6.776 1.00 0.86 O ATOM 952 CB ASN A 60 11.243 5.283 7.441 1.00 0.95 C ATOM 953 CG ASN A 60 12.377 4.359 7.857 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.273 4.086 7.058 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.392 3.921 9.146 1.00 1.83 N ATOM 0 H ASN A 60 10.332 6.147 4.489 1.00 0.74 H new ATOM 0 HA ASN A 60 11.796 4.883 5.590 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.573 6.322 7.459 1.00 0.95 H new ATOM 0 HB3 ASN A 60 10.410 5.201 8.139 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.165 3.345 9.480 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.630 4.169 9.778 1.00 1.83 H new ATOM 962 N ILE A 61 9.776 3.193 4.580 1.00 0.67 N ATOM 963 CA ILE A 61 9.234 1.891 4.336 1.00 0.65 C ATOM 964 C ILE A 61 10.385 1.161 3.734 1.00 0.66 C ATOM 965 O ILE A 61 10.984 1.530 2.724 1.00 0.75 O ATOM 966 CB ILE A 61 8.103 1.904 3.352 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.963 2.670 4.045 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.614 0.508 2.929 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.889 3.069 3.035 1.00 0.82 C ATOM 0 H ILE A 61 9.823 3.799 3.761 1.00 0.67 H new ATOM 0 HA ILE A 61 8.828 1.452 5.247 1.00 0.65 H new ATOM 0 HB ILE A 61 8.442 2.369 2.426 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.523 2.049 4.825 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.360 3.561 4.532 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.795 0.610 2.217 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.434 -0.039 2.464 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.266 -0.037 3.806 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.092 3.610 3.546 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.329 3.709 2.270 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.479 2.174 2.568 1.00 0.82 H new ATOM 981 N GLN A 62 10.777 0.079 4.430 1.00 0.67 N ATOM 982 CA GLN A 62 11.909 -0.718 4.075 1.00 0.70 C ATOM 983 C GLN A 62 11.524 -2.103 3.683 1.00 0.62 C ATOM 984 O GLN A 62 10.339 -2.408 3.566 1.00 0.64 O ATOM 985 CB GLN A 62 12.913 -0.594 5.233 1.00 0.85 C ATOM 986 CG GLN A 62 13.192 0.840 5.690 1.00 1.27 C ATOM 987 CD GLN A 62 14.288 0.851 6.745 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.322 0.009 7.642 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.273 1.780 6.617 1.00 2.16 N ATOM 0 H GLN A 62 10.292 -0.251 5.264 1.00 0.67 H new ATOM 0 HA GLN A 62 12.397 -0.360 3.168 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.538 -1.165 6.083 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.854 -1.053 4.930 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.492 1.449 4.837 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.283 1.284 6.095 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.229 2.470 5.868 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.056 1.786 7.270 1.00 2.16 H new ATOM 998 N LYS A 63 12.521 -3.000 3.577 1.00 0.64 N ATOM 999 CA LYS A 63 12.223 -4.391 3.435 1.00 0.62 C ATOM 1000 C LYS A 63 11.453 -5.047 4.528 1.00 0.59 C ATOM 1001 O LYS A 63 11.639 -4.833 5.725 1.00 0.66 O ATOM 1002 CB LYS A 63 13.571 -5.126 3.334 1.00 0.74 C ATOM 1003 CG LYS A 63 14.452 -5.026 4.581 1.00 0.89 C ATOM 1004 CD LYS A 63 15.823 -5.523 4.120 1.00 1.11 C ATOM 1005 CE LYS A 63 16.799 -5.675 5.289 1.00 1.47 C ATOM 1006 NZ LYS A 63 18.151 -5.911 4.738 1.00 2.12 N ATOM 0 H LYS A 63 13.514 -2.769 3.589 1.00 0.64 H new ATOM 0 HA LYS A 63 11.576 -4.453 2.560 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.380 -6.179 3.125 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.123 -4.727 2.483 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.504 -4.001 4.949 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.061 -5.637 5.394 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.710 -6.482 3.615 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.236 -4.825 3.391 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.793 -4.778 5.908 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.499 -6.505 5.928 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.830 -6.017 5.518 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 18.145 -6.778 4.164 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.430 -5.104 4.144 1.00 2.12 H new ATOM 1020 N GLU A 64 10.512 -5.904 4.093 1.00 0.57 N ATOM 1021 CA GLU A 64 9.701 -6.759 4.903 1.00 0.58 C ATOM 1022 C GLU A 64 8.675 -6.104 5.761 1.00 0.56 C ATOM 1023 O GLU A 64 8.225 -6.619 6.784 1.00 0.70 O ATOM 1024 CB GLU A 64 10.484 -7.923 5.531 1.00 0.72 C ATOM 1025 CG GLU A 64 11.434 -8.555 4.512 1.00 0.96 C ATOM 1026 CD GLU A 64 11.990 -9.914 4.914 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.395 -10.094 6.094 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.129 -10.801 4.030 1.00 1.71 O ATOM 0 H GLU A 64 10.304 -6.006 3.100 1.00 0.57 H new ATOM 0 HA GLU A 64 9.036 -7.240 4.186 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.052 -7.563 6.389 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.789 -8.676 5.902 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.909 -8.660 3.563 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.267 -7.873 4.342 1.00 0.96 H new ATOM 1035 N SER A 65 8.284 -4.883 5.355 1.00 0.51 N ATOM 1036 CA SER A 65 7.390 -3.978 6.008 1.00 0.51 C ATOM 1037 C SER A 65 5.949 -4.256 5.744 1.00 0.43 C ATOM 1038 O SER A 65 5.507 -4.575 4.642 1.00 0.50 O ATOM 1039 CB SER A 65 7.588 -2.506 5.608 1.00 0.65 C ATOM 1040 OG SER A 65 8.932 -2.070 5.743 1.00 1.04 O ATOM 0 H SER A 65 8.631 -4.492 4.479 1.00 0.51 H new ATOM 0 HA SER A 65 7.639 -4.140 7.057 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.270 -2.370 4.574 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.945 -1.878 6.224 1.00 0.65 H new ATOM 0 HG SER A 65 9.407 -2.207 4.897 1.00 1.04 H new ATOM 1046 N THR A 66 5.064 -4.115 6.746 1.00 0.45 N ATOM 1047 CA THR A 66 3.674 -4.442 6.672 1.00 0.45 C ATOM 1048 C THR A 66 2.939 -3.194 6.320 1.00 0.43 C ATOM 1049 O THR A 66 3.007 -2.215 7.063 1.00 0.58 O ATOM 1050 CB THR A 66 3.047 -4.818 7.983 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.637 -6.049 8.374 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.517 -4.965 7.940 1.00 0.78 C ATOM 0 H THR A 66 5.334 -3.752 7.660 1.00 0.45 H new ATOM 0 HA THR A 66 3.612 -5.273 5.970 1.00 0.45 H new ATOM 0 HB THR A 66 3.230 -4.011 8.692 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.258 -6.336 9.231 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.150 -5.238 8.929 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.069 -4.019 7.635 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.246 -5.742 7.225 1.00 0.78 H new ATOM 1060 N LEU A 67 2.278 -3.134 5.150 1.00 0.38 N ATOM 1061 CA LEU A 67 1.454 -2.023 4.787 1.00 0.38 C ATOM 1062 C LEU A 67 0.060 -2.547 4.841 1.00 0.37 C ATOM 1063 O LEU A 67 -0.190 -3.627 4.309 1.00 0.50 O ATOM 1064 CB LEU A 67 1.805 -1.648 3.337 1.00 0.46 C ATOM 1065 CG LEU A 67 3.023 -0.725 3.166 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.302 -1.571 3.293 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.945 -0.234 1.711 1.00 1.31 C ATOM 0 H LEU A 67 2.316 -3.869 4.444 1.00 0.38 H new ATOM 0 HA LEU A 67 1.583 -1.152 5.429 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.985 -2.565 2.777 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.939 -1.164 2.886 1.00 0.46 H new ATOM 0 HG LEU A 67 3.034 0.083 3.898 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.176 -0.930 3.174 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.330 -2.043 4.275 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.308 -2.340 2.520 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.782 0.433 1.507 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.989 -1.089 1.036 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.008 0.302 1.558 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.838 -1.851 5.561 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.184 -2.311 5.712 1.00 0.37 C ATOM 1081 C HIS A 68 -3.131 -1.853 4.655 1.00 0.35 C ATOM 1082 O HIS A 68 -3.149 -0.636 4.478 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.753 -1.714 7.010 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.830 -2.143 8.111 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -2.103 -3.230 8.917 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -0.699 -1.567 8.601 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.100 -3.300 9.832 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.268 -2.284 9.699 1.00 1.51 N ATOM 0 H HIS A 68 -0.633 -0.973 6.037 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.116 -3.398 5.680 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.805 -0.627 6.948 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.767 -2.072 7.191 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.216 -0.690 8.196 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.998 -4.082 10.569 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.535 -2.071 10.291 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.834 -2.686 3.868 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.803 -2.226 2.922 1.00 0.38 C ATOM 1098 C LEU A 69 -6.181 -2.091 3.470 1.00 0.41 C ATOM 1099 O LEU A 69 -6.755 -3.080 3.924 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.746 -3.111 1.666 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.668 -2.811 0.470 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.856 -1.352 0.025 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.189 -3.517 -0.810 1.00 1.14 C ATOM 0 H LEU A 69 -3.727 -3.700 3.889 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.536 -1.204 2.653 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.720 -3.086 1.299 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.947 -4.135 1.981 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.612 -3.165 0.883 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.534 -1.316 -0.828 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -6.276 -0.772 0.847 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.892 -0.931 -0.260 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.866 -3.280 -1.631 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.184 -3.177 -1.059 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.178 -4.595 -0.648 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.791 -0.893 3.451 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.163 -0.749 3.826 1.00 0.56 C ATOM 1117 C VAL A 70 -8.921 -0.303 2.623 1.00 0.55 C ATOM 1118 O VAL A 70 -8.332 0.009 1.589 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.374 0.201 4.967 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.570 -0.213 5.840 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.092 0.176 5.817 1.00 0.97 C ATOM 0 H VAL A 70 -6.334 -0.024 3.176 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.523 -1.714 4.184 1.00 0.56 H new ATOM 0 HB VAL A 70 -8.587 1.197 4.578 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.689 0.500 6.655 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.476 -0.226 5.234 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.394 -1.207 6.251 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.202 0.856 6.662 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.919 -0.835 6.185 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.245 0.490 5.207 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.265 -0.288 2.610 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.918 0.199 1.435 1.00 0.84 C ATOM 1133 C LEU A 71 -11.589 1.481 1.793 1.00 0.85 C ATOM 1134 O LEU A 71 -11.861 1.742 2.964 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.993 -0.819 1.018 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.525 -2.194 0.515 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.719 -3.121 0.234 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.550 -2.093 -0.670 1.00 2.78 C ATOM 0 H LEU A 71 -10.874 -0.595 3.369 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.207 0.345 0.622 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.649 -0.981 1.873 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.598 -0.364 0.234 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.951 -2.653 1.320 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.355 -4.086 -0.120 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -13.292 -3.264 1.150 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.357 -2.672 -0.527 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -10.253 -3.094 -0.983 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.038 -1.583 -1.500 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.667 -1.531 -0.367 1.00 2.78 H new