USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 180:sc= 0.0231 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 120:sc= 0.495 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0409 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -109:sc= 1.57 (180deg=0.113) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.707 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 2.25 (180deg=1.94) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.24) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00583 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00547 USER MOD Single : A 25 ASN : amide:sc= 0.298 K(o=0.3,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.51 (180deg=1.41) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.17 K(o=-0.17,f=-4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 41 GLN : amide:sc= 0.534 K(o=0.53,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.497 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) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 91:sc= 0.431 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.157 -4.149 -3.746 1.00 0.78 N ATOM 2 CA MET A 1 13.179 -4.867 -2.451 1.00 0.70 C ATOM 3 C MET A 1 11.835 -5.430 -2.136 1.00 0.62 C ATOM 4 O MET A 1 10.864 -5.046 -2.785 1.00 0.68 O ATOM 5 CB MET A 1 13.547 -3.908 -1.306 1.00 0.75 C ATOM 6 CG MET A 1 12.528 -2.777 -1.164 1.00 0.79 C ATOM 7 SD MET A 1 13.047 -1.724 0.225 1.00 1.10 S ATOM 8 CE MET A 1 11.635 -0.593 0.076 1.00 0.84 C ATOM 0 H1 MET A 1 14.000 -3.545 -3.822 1.00 0.78 H new ATOM 0 H2 MET A 1 13.154 -4.838 -4.525 1.00 0.78 H new ATOM 0 H3 MET A 1 12.302 -3.559 -3.802 1.00 0.78 H new ATOM 0 HA MET A 1 13.917 -5.664 -2.540 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.606 -4.464 -0.370 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.535 -3.486 -1.488 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.474 -2.195 -2.084 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.532 -3.182 -0.984 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.707 0.181 0.840 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.641 -0.131 -0.911 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.707 -1.149 0.210 1.00 0.84 H new ATOM 20 N GLN A 2 11.722 -6.334 -1.148 1.00 0.59 N ATOM 21 CA GLN A 2 10.512 -7.070 -0.944 1.00 0.56 C ATOM 22 C GLN A 2 9.631 -6.491 0.109 1.00 0.50 C ATOM 23 O GLN A 2 10.051 -6.461 1.264 1.00 0.60 O ATOM 24 CB GLN A 2 10.848 -8.542 -0.649 1.00 0.71 C ATOM 25 CG GLN A 2 9.593 -9.399 -0.469 1.00 1.15 C ATOM 26 CD GLN A 2 10.019 -10.832 -0.186 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.877 -11.347 0.922 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.362 -11.506 -1.315 1.00 1.72 N ATOM 0 H GLN A 2 12.468 -6.556 -0.489 1.00 0.59 H new ATOM 0 HA GLN A 2 9.935 -7.004 -1.866 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.447 -8.946 -1.465 1.00 0.71 H new ATOM 0 HB3 GLN A 2 11.457 -8.600 0.253 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.988 -9.015 0.352 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.975 -9.358 -1.366 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.460 -11.005 -2.198 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.521 -12.513 -1.279 1.00 1.72 H new ATOM 37 N ILE A 3 8.391 -6.068 -0.195 1.00 0.44 N ATOM 38 CA ILE A 3 7.472 -5.659 0.821 1.00 0.42 C ATOM 39 C ILE A 3 6.175 -6.388 0.751 1.00 0.40 C ATOM 40 O ILE A 3 5.925 -7.181 -0.156 1.00 0.50 O ATOM 41 CB ILE A 3 7.207 -4.184 0.766 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.474 -3.770 -0.521 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.437 -3.285 0.975 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.699 -2.465 -0.343 1.00 0.72 C ATOM 0 H ILE A 3 8.025 -6.009 -1.145 1.00 0.44 H new ATOM 0 HA ILE A 3 7.954 -5.907 1.767 1.00 0.42 H new ATOM 0 HB ILE A 3 6.559 -4.016 1.626 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.197 -3.655 -1.329 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.787 -4.562 -0.818 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.137 -2.239 0.916 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.871 -3.484 1.955 1.00 0.61 H new ATOM 0 HG23 ILE A 3 9.176 -3.494 0.202 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.197 -2.210 -1.276 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.958 -2.587 0.447 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.389 -1.666 -0.072 1.00 0.72 H new ATOM 56 N PHE A 4 5.241 -6.319 1.717 1.00 0.37 N ATOM 57 CA PHE A 4 3.997 -7.026 1.716 1.00 0.38 C ATOM 58 C PHE A 4 2.852 -6.074 1.777 1.00 0.39 C ATOM 59 O PHE A 4 3.019 -5.029 2.405 1.00 0.60 O ATOM 60 CB PHE A 4 3.915 -7.950 2.943 1.00 0.45 C ATOM 61 CG PHE A 4 5.182 -8.713 3.125 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.508 -9.587 2.115 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.923 -8.502 4.264 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.727 -10.214 2.223 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.145 -9.129 4.325 1.00 1.40 C ATOM 66 CZ PHE A 4 7.507 -10.014 3.337 1.00 0.85 C ATOM 0 H PHE A 4 5.361 -5.737 2.546 1.00 0.37 H new ATOM 0 HA PHE A 4 3.945 -7.609 0.797 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.712 -7.358 3.835 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.083 -8.644 2.825 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.844 -9.771 1.283 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.564 -7.877 5.068 1.00 1.30 H new ATOM 0 HE1 PHE A 4 7.072 -10.864 1.432 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.818 -8.927 5.145 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.429 -10.567 3.439 1.00 0.85 H new ATOM 76 N VAL A 5 1.658 -6.436 1.276 1.00 0.35 N ATOM 77 CA VAL A 5 0.457 -5.669 1.407 1.00 0.35 C ATOM 78 C VAL A 5 -0.501 -6.636 2.013 1.00 0.35 C ATOM 79 O VAL A 5 -0.555 -7.797 1.613 1.00 0.46 O ATOM 80 CB VAL A 5 -0.031 -5.175 0.078 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.387 -4.455 0.174 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.928 -4.129 -0.512 1.00 0.56 C ATOM 0 H VAL A 5 1.523 -7.303 0.756 1.00 0.35 H new ATOM 0 HA VAL A 5 0.593 -4.770 2.007 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.105 -6.070 -0.539 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.691 -4.119 -0.817 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.136 -5.141 0.571 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.296 -3.594 0.837 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.548 -3.789 -1.475 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.004 -3.280 0.168 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.914 -4.574 -0.647 1.00 0.56 H new ATOM 92 N LYS A 6 -1.302 -6.286 3.035 1.00 0.36 N ATOM 93 CA LYS A 6 -2.293 -7.126 3.633 1.00 0.39 C ATOM 94 C LYS A 6 -3.625 -6.522 3.350 1.00 0.46 C ATOM 95 O LYS A 6 -3.736 -5.299 3.285 1.00 0.53 O ATOM 96 CB LYS A 6 -2.075 -7.173 5.155 1.00 0.54 C ATOM 97 CG LYS A 6 -2.915 -8.288 5.782 1.00 1.22 C ATOM 98 CD LYS A 6 -2.192 -9.610 5.516 1.00 1.37 C ATOM 99 CE LYS A 6 -2.843 -10.701 6.368 1.00 1.93 C ATOM 100 NZ LYS A 6 -2.369 -12.055 6.004 1.00 2.09 N ATOM 0 H LYS A 6 -1.255 -5.364 3.468 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.230 -8.138 3.232 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.020 -7.338 5.372 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.345 -6.214 5.597 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.033 -8.124 6.853 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.916 -8.304 5.350 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.253 -9.869 4.459 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.134 -9.519 5.762 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.628 -10.514 7.420 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -3.926 -10.653 6.250 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -3.133 -12.573 5.524 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.550 -11.977 5.367 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -2.090 -12.568 6.865 1.00 2.09 H new ATOM 114 N THR A 7 -4.648 -7.362 3.108 1.00 0.58 N ATOM 115 CA THR A 7 -6.006 -6.972 2.887 1.00 0.78 C ATOM 116 C THR A 7 -6.875 -7.044 4.094 1.00 0.94 C ATOM 117 O THR A 7 -6.456 -7.404 5.193 1.00 0.99 O ATOM 118 CB THR A 7 -6.651 -7.644 1.711 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.867 -9.025 1.965 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.717 -7.529 0.496 1.00 0.92 C ATOM 0 H THR A 7 -4.518 -8.373 3.064 1.00 0.58 H new ATOM 0 HA THR A 7 -5.918 -5.915 2.638 1.00 0.78 H new ATOM 0 HB THR A 7 -7.609 -7.158 1.525 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.826 -9.222 1.911 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.178 -8.015 -0.364 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.543 -6.477 0.269 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.767 -8.013 0.720 1.00 0.92 H new ATOM 128 N LEU A 8 -8.106 -6.504 4.020 1.00 1.17 N ATOM 129 CA LEU A 8 -9.131 -6.563 5.015 1.00 1.39 C ATOM 130 C LEU A 8 -9.424 -7.980 5.370 1.00 1.44 C ATOM 131 O LEU A 8 -9.508 -8.290 6.557 1.00 1.60 O ATOM 132 CB LEU A 8 -10.416 -5.843 4.570 1.00 1.66 C ATOM 133 CG LEU A 8 -10.364 -4.336 4.266 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.743 -3.873 3.763 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.927 -3.659 5.575 1.00 2.43 C ATOM 0 H LEU A 8 -8.406 -5.984 3.195 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.759 -6.041 5.897 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.781 -6.346 3.675 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.164 -5.995 5.348 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.659 -4.075 3.477 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.711 -2.805 3.546 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -12.002 -4.420 2.856 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.493 -4.065 4.530 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.870 -2.581 5.426 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.652 -3.879 6.358 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.948 -4.036 5.871 1.00 2.43 H new ATOM 147 N THR A 9 -9.559 -8.854 4.357 1.00 1.41 N ATOM 148 CA THR A 9 -9.900 -10.234 4.512 1.00 1.51 C ATOM 149 C THR A 9 -8.763 -11.031 5.052 1.00 1.37 C ATOM 150 O THR A 9 -8.958 -11.622 6.113 1.00 1.62 O ATOM 151 CB THR A 9 -10.340 -10.900 3.240 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.529 -10.743 2.086 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.657 -10.172 2.920 1.00 2.08 C ATOM 0 H THR A 9 -9.424 -8.585 3.382 1.00 1.41 H new ATOM 0 HA THR A 9 -10.736 -10.218 5.211 1.00 1.51 H new ATOM 0 HB THR A 9 -10.349 -11.975 3.422 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.931 -11.228 1.335 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.081 -10.575 2.000 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.362 -10.318 3.739 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.463 -9.107 2.794 1.00 2.08 H new ATOM 161 N GLY A 10 -7.589 -11.050 4.396 1.00 1.18 N ATOM 162 CA GLY A 10 -6.522 -11.815 4.964 1.00 1.22 C ATOM 163 C GLY A 10 -5.429 -12.253 4.052 1.00 0.99 C ATOM 164 O GLY A 10 -4.548 -13.065 4.330 1.00 1.31 O ATOM 0 H GLY A 10 -7.383 -10.566 3.522 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.076 -11.226 5.766 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.953 -12.704 5.424 1.00 1.22 H new ATOM 168 N LYS A 11 -5.400 -11.521 2.925 1.00 0.73 N ATOM 169 CA LYS A 11 -4.585 -11.942 1.828 1.00 0.60 C ATOM 170 C LYS A 11 -3.353 -11.104 1.789 1.00 0.51 C ATOM 171 O LYS A 11 -3.376 -9.881 1.657 1.00 0.63 O ATOM 172 CB LYS A 11 -5.380 -11.846 0.514 1.00 0.75 C ATOM 173 CG LYS A 11 -4.584 -12.059 -0.774 1.00 0.87 C ATOM 174 CD LYS A 11 -5.464 -11.863 -2.011 1.00 1.04 C ATOM 175 CE LYS A 11 -4.805 -11.917 -3.390 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.819 -11.876 -4.467 1.00 1.40 N ATOM 0 H LYS A 11 -5.925 -10.660 2.773 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.290 -12.984 1.956 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.184 -12.581 0.545 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.849 -10.863 0.468 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.747 -11.361 -0.806 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.162 -13.064 -0.781 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.245 -12.623 -1.986 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.958 -10.896 -1.917 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.118 -11.078 -3.501 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.213 -12.828 -3.478 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.345 -11.760 -5.386 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.362 -12.763 -4.467 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.464 -11.076 -4.307 1.00 1.40 H new ATOM 190 N THR A 12 -2.215 -11.816 1.867 1.00 0.49 N ATOM 191 CA THR A 12 -0.931 -11.191 1.788 1.00 0.48 C ATOM 192 C THR A 12 -0.399 -11.240 0.397 1.00 0.52 C ATOM 193 O THR A 12 -0.378 -12.237 -0.323 1.00 0.72 O ATOM 194 CB THR A 12 0.127 -11.762 2.686 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.174 -11.718 4.074 1.00 0.77 O ATOM 196 CG2 THR A 12 1.401 -10.908 2.574 1.00 0.78 C ATOM 0 H THR A 12 -2.184 -12.829 1.985 1.00 0.49 H new ATOM 0 HA THR A 12 -1.128 -10.173 2.123 1.00 0.48 H new ATOM 0 HB THR A 12 0.222 -12.797 2.359 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.566 -12.111 4.582 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.173 -11.319 3.225 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.754 -10.915 1.543 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.180 -9.884 2.875 1.00 0.78 H new ATOM 204 N ILE A 13 -0.066 -10.046 -0.124 1.00 0.48 N ATOM 205 CA ILE A 13 0.440 -9.939 -1.457 1.00 0.55 C ATOM 206 C ILE A 13 1.920 -9.804 -1.347 1.00 0.51 C ATOM 207 O ILE A 13 2.307 -8.964 -0.537 1.00 0.56 O ATOM 208 CB ILE A 13 -0.085 -8.738 -2.188 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.509 -8.269 -1.848 1.00 1.15 C ATOM 210 CG2 ILE A 13 0.077 -9.173 -3.654 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.667 -9.000 -2.525 1.00 1.55 C ATOM 0 H ILE A 13 -0.146 -9.159 0.374 1.00 0.48 H new ATOM 0 HA ILE A 13 0.127 -10.820 -2.017 1.00 0.55 H new ATOM 0 HB ILE A 13 0.460 -7.838 -1.904 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -1.643 -8.351 -0.769 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -1.585 -7.211 -2.099 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.274 -8.377 -4.311 1.00 1.13 H new ATOM 0 HG22 ILE A 13 1.128 -9.376 -3.859 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.508 -10.075 -3.833 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.612 -8.568 -2.196 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.579 -8.898 -3.607 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.638 -10.056 -2.256 1.00 1.55 H new ATOM 223 N THR A 14 2.800 -10.552 -2.038 1.00 0.55 N ATOM 224 CA THR A 14 4.213 -10.382 -1.910 1.00 0.54 C ATOM 225 C THR A 14 4.656 -9.374 -2.913 1.00 0.55 C ATOM 226 O THR A 14 4.642 -9.705 -4.097 1.00 0.72 O ATOM 227 CB THR A 14 5.074 -11.602 -2.057 1.00 0.67 C ATOM 228 OG1 THR A 14 4.614 -12.635 -1.197 1.00 1.08 O ATOM 229 CG2 THR A 14 6.548 -11.388 -1.673 1.00 1.03 C ATOM 0 H THR A 14 2.526 -11.284 -2.694 1.00 0.55 H new ATOM 0 HA THR A 14 4.355 -10.075 -0.874 1.00 0.54 H new ATOM 0 HB THR A 14 5.007 -11.852 -3.116 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.182 -13.426 -1.303 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.098 -12.319 -1.809 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.981 -10.615 -2.308 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.611 -11.078 -0.630 1.00 1.03 H new ATOM 237 N LEU A 15 4.996 -8.100 -2.642 1.00 0.50 N ATOM 238 CA LEU A 15 5.390 -7.178 -3.660 1.00 0.55 C ATOM 239 C LEU A 15 6.806 -6.729 -3.782 1.00 0.52 C ATOM 240 O LEU A 15 7.521 -6.566 -2.794 1.00 0.58 O ATOM 241 CB LEU A 15 4.606 -5.874 -3.435 1.00 0.69 C ATOM 242 CG LEU A 15 3.071 -5.907 -3.518 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.537 -4.464 -3.504 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.513 -6.629 -4.757 1.00 1.55 C ATOM 0 H LEU A 15 4.997 -7.705 -1.701 1.00 0.50 H new ATOM 0 HA LEU A 15 5.199 -7.762 -4.560 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.875 -5.494 -2.450 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.960 -5.146 -4.165 1.00 0.69 H new ATOM 0 HG LEU A 15 2.735 -6.478 -2.653 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.449 -4.478 -3.563 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.844 -3.971 -2.582 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.939 -3.919 -4.358 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.424 -6.604 -4.733 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.868 -6.131 -5.659 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.852 -7.665 -4.758 1.00 1.55 H new ATOM 256 N GLU A 16 7.204 -6.494 -5.045 1.00 0.59 N ATOM 257 CA GLU A 16 8.455 -5.852 -5.309 1.00 0.63 C ATOM 258 C GLU A 16 8.224 -4.404 -5.568 1.00 0.65 C ATOM 259 O GLU A 16 7.342 -4.054 -6.351 1.00 0.81 O ATOM 260 CB GLU A 16 9.050 -6.517 -6.561 1.00 0.76 C ATOM 261 CG GLU A 16 10.418 -5.982 -6.986 1.00 1.41 C ATOM 262 CD GLU A 16 11.565 -6.595 -6.196 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.947 -7.779 -6.396 1.00 1.92 O ATOM 264 OE2 GLU A 16 12.272 -5.767 -5.561 1.00 1.95 O ATOM 0 H GLU A 16 6.667 -6.745 -5.875 1.00 0.59 H new ATOM 0 HA GLU A 16 9.133 -5.948 -4.461 1.00 0.63 H new ATOM 0 HB2 GLU A 16 9.136 -7.588 -6.380 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.353 -6.389 -7.389 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.567 -6.182 -8.047 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.434 -4.899 -6.860 1.00 1.41 H new ATOM 271 N VAL A 17 9.000 -3.517 -4.920 1.00 0.61 N ATOM 272 CA VAL A 17 9.070 -2.090 -4.967 1.00 0.63 C ATOM 273 C VAL A 17 10.495 -1.688 -4.802 1.00 0.65 C ATOM 274 O VAL A 17 11.289 -2.489 -4.312 1.00 0.76 O ATOM 275 CB VAL A 17 8.243 -1.404 -3.920 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.771 -1.808 -4.105 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.786 -1.707 -2.514 1.00 0.92 C ATOM 0 H VAL A 17 9.689 -3.868 -4.255 1.00 0.61 H new ATOM 0 HA VAL A 17 8.663 -1.780 -5.929 1.00 0.63 H new ATOM 0 HB VAL A 17 8.305 -0.322 -4.034 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.161 -1.315 -3.349 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.433 -1.507 -5.097 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.674 -2.889 -4.001 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.172 -1.200 -1.770 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.757 -2.782 -2.337 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.814 -1.354 -2.437 1.00 0.92 H new ATOM 287 N GLU A 18 10.868 -0.446 -5.161 1.00 0.68 N ATOM 288 CA GLU A 18 12.100 0.200 -4.832 1.00 0.74 C ATOM 289 C GLU A 18 11.803 1.355 -3.938 1.00 0.71 C ATOM 290 O GLU A 18 10.668 1.824 -4.006 1.00 0.74 O ATOM 291 CB GLU A 18 12.943 0.741 -5.999 1.00 0.88 C ATOM 292 CG GLU A 18 13.482 -0.393 -6.874 1.00 1.16 C ATOM 293 CD GLU A 18 14.593 -1.178 -6.193 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.427 -0.490 -5.547 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.653 -2.435 -6.260 1.00 2.33 O ATOM 0 H GLU A 18 10.261 0.150 -5.724 1.00 0.68 H new ATOM 0 HA GLU A 18 12.700 -0.589 -4.377 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.337 1.414 -6.606 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.775 1.327 -5.608 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.667 -1.070 -7.128 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.856 0.021 -7.810 1.00 1.16 H new ATOM 302 N PRO A 19 12.644 1.793 -3.049 1.00 0.74 N ATOM 303 CA PRO A 19 12.246 2.731 -2.041 1.00 0.74 C ATOM 304 C PRO A 19 11.789 4.049 -2.566 1.00 0.70 C ATOM 305 O PRO A 19 11.123 4.869 -1.938 1.00 0.74 O ATOM 306 CB PRO A 19 13.459 2.972 -1.144 1.00 0.86 C ATOM 307 CG PRO A 19 14.272 1.686 -1.365 1.00 0.95 C ATOM 308 CD PRO A 19 13.953 1.212 -2.792 1.00 0.82 C ATOM 0 HA PRO A 19 11.393 2.299 -1.519 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.014 3.863 -1.438 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.176 3.103 -0.100 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.339 1.876 -1.248 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.002 0.925 -0.633 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.697 1.561 -3.508 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.931 0.124 -2.860 1.00 0.82 H new ATOM 316 N SER A 20 12.266 4.283 -3.802 1.00 0.70 N ATOM 317 CA SER A 20 12.064 5.397 -4.675 1.00 0.74 C ATOM 318 C SER A 20 10.790 5.261 -5.436 1.00 0.71 C ATOM 319 O SER A 20 10.399 6.162 -6.176 1.00 0.80 O ATOM 320 CB SER A 20 13.199 5.388 -5.713 1.00 0.89 C ATOM 321 OG SER A 20 13.320 4.185 -6.456 1.00 1.45 O ATOM 0 H SER A 20 12.875 3.594 -4.243 1.00 0.70 H new ATOM 0 HA SER A 20 12.039 6.308 -4.077 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.043 6.213 -6.408 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.142 5.578 -5.200 1.00 0.89 H new ATOM 0 HG SER A 20 14.062 4.266 -7.091 1.00 1.45 H new ATOM 327 N ASP A 21 9.959 4.213 -5.294 1.00 0.70 N ATOM 328 CA ASP A 21 8.671 4.173 -5.912 1.00 0.73 C ATOM 329 C ASP A 21 7.785 4.993 -5.038 1.00 0.64 C ATOM 330 O ASP A 21 7.859 5.077 -3.813 1.00 0.66 O ATOM 331 CB ASP A 21 8.174 2.722 -6.031 1.00 0.87 C ATOM 332 CG ASP A 21 8.793 1.970 -7.202 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.798 2.549 -8.320 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.351 0.856 -7.017 1.00 1.69 O ATOM 0 H ASP A 21 10.184 3.384 -4.744 1.00 0.70 H new ATOM 0 HA ASP A 21 8.689 4.567 -6.928 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.399 2.191 -5.106 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.090 2.724 -6.141 1.00 0.87 H new ATOM 339 N THR A 22 6.767 5.555 -5.712 1.00 0.63 N ATOM 340 CA THR A 22 5.769 6.347 -5.061 1.00 0.58 C ATOM 341 C THR A 22 4.563 5.567 -4.661 1.00 0.53 C ATOM 342 O THR A 22 4.435 4.393 -5.004 1.00 0.58 O ATOM 343 CB THR A 22 5.374 7.512 -5.920 1.00 0.63 C ATOM 344 OG1 THR A 22 5.016 7.061 -7.218 1.00 0.70 O ATOM 345 CG2 THR A 22 6.443 8.612 -6.037 1.00 0.75 C ATOM 0 H THR A 22 6.634 5.460 -6.719 1.00 0.63 H new ATOM 0 HA THR A 22 6.224 6.711 -4.140 1.00 0.58 H new ATOM 0 HB THR A 22 4.522 7.969 -5.416 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.758 7.828 -7.771 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.072 9.413 -6.676 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.665 9.010 -5.047 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.351 8.193 -6.471 1.00 0.75 H new ATOM 353 N ILE A 23 3.614 6.171 -3.924 1.00 0.51 N ATOM 354 CA ILE A 23 2.445 5.466 -3.495 1.00 0.48 C ATOM 355 C ILE A 23 1.570 5.248 -4.680 1.00 0.48 C ATOM 356 O ILE A 23 0.877 4.237 -4.775 1.00 0.51 O ATOM 357 CB ILE A 23 1.738 6.057 -2.312 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.687 6.249 -1.118 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.485 5.238 -1.954 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.459 5.037 -0.598 1.00 0.73 C ATOM 0 H ILE A 23 3.655 7.145 -3.625 1.00 0.51 H new ATOM 0 HA ILE A 23 2.760 4.502 -3.096 1.00 0.48 H new ATOM 0 HB ILE A 23 1.396 7.055 -2.586 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.415 7.013 -1.392 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.102 6.649 -0.290 1.00 0.60 H new ATOM 0 HG21 ILE A 23 -0.010 5.687 -1.093 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.199 5.230 -2.802 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.775 4.215 -1.713 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.083 5.337 0.244 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.756 4.270 -0.274 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.090 4.639 -1.393 1.00 0.73 H new ATOM 372 N GLU A 24 1.572 6.195 -5.635 1.00 0.50 N ATOM 373 CA GLU A 24 0.985 5.939 -6.913 1.00 0.53 C ATOM 374 C GLU A 24 1.504 4.744 -7.638 1.00 0.50 C ATOM 375 O GLU A 24 0.817 3.916 -8.235 1.00 0.55 O ATOM 376 CB GLU A 24 1.086 7.151 -7.853 1.00 0.64 C ATOM 377 CG GLU A 24 0.502 6.979 -9.257 1.00 0.95 C ATOM 378 CD GLU A 24 0.503 8.315 -9.986 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.394 9.164 -9.732 1.00 1.62 O ATOM 380 OE2 GLU A 24 1.468 8.550 -10.761 1.00 1.56 O ATOM 0 H GLU A 24 1.974 7.126 -5.525 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.053 5.730 -6.656 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.586 7.994 -7.377 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.138 7.419 -7.952 1.00 0.64 H new ATOM 0 HG2 GLU A 24 1.087 6.249 -9.817 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.515 6.591 -9.192 1.00 0.95 H new ATOM 387 N ASN A 25 2.833 4.548 -7.678 1.00 0.51 N ATOM 388 CA ASN A 25 3.536 3.443 -8.252 1.00 0.52 C ATOM 389 C ASN A 25 3.167 2.141 -7.625 1.00 0.47 C ATOM 390 O ASN A 25 3.101 1.124 -8.314 1.00 0.53 O ATOM 391 CB ASN A 25 5.071 3.539 -8.231 1.00 0.64 C ATOM 392 CG ASN A 25 5.523 4.575 -9.251 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.741 5.232 -9.936 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.878 4.671 -9.314 1.00 1.57 N ATOM 0 H ASN A 25 3.474 5.228 -7.270 1.00 0.51 H new ATOM 0 HA ASN A 25 3.214 3.490 -9.292 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.416 3.817 -7.235 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.511 2.569 -8.461 1.00 0.64 H new ATOM 0 HD21 ASN A 25 7.313 5.325 -9.965 1.00 1.57 H new ATOM 0 HD22 ASN A 25 7.459 4.089 -8.710 1.00 1.57 H new ATOM 401 N VAL A 26 3.042 2.104 -6.287 1.00 0.45 N ATOM 402 CA VAL A 26 2.559 1.051 -5.447 1.00 0.44 C ATOM 403 C VAL A 26 1.092 0.884 -5.643 1.00 0.40 C ATOM 404 O VAL A 26 0.729 -0.268 -5.873 1.00 0.44 O ATOM 405 CB VAL A 26 2.834 1.313 -3.996 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.499 0.141 -3.058 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.366 1.406 -3.895 1.00 0.62 C ATOM 0 H VAL A 26 3.314 2.913 -5.729 1.00 0.45 H new ATOM 0 HA VAL A 26 3.088 0.141 -5.731 1.00 0.44 H new ATOM 0 HB VAL A 26 2.244 2.182 -3.706 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.730 0.420 -2.030 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.439 -0.099 -3.140 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.091 -0.730 -3.339 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.651 1.597 -2.861 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.810 0.467 -4.226 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.724 2.219 -4.526 1.00 0.62 H new ATOM 417 N LYS A 27 0.195 1.879 -5.757 1.00 0.40 N ATOM 418 CA LYS A 27 -1.210 1.656 -5.917 1.00 0.41 C ATOM 419 C LYS A 27 -1.531 0.976 -7.204 1.00 0.38 C ATOM 420 O LYS A 27 -2.346 0.058 -7.279 1.00 0.42 O ATOM 421 CB LYS A 27 -1.999 2.966 -5.753 1.00 0.51 C ATOM 422 CG LYS A 27 -2.205 3.355 -4.288 1.00 0.76 C ATOM 423 CD LYS A 27 -3.279 4.441 -4.199 1.00 0.82 C ATOM 424 CE LYS A 27 -3.415 5.181 -2.867 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.379 6.304 -2.898 1.00 1.11 N ATOM 0 H LYS A 27 0.452 2.866 -5.738 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.522 0.977 -5.123 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.471 3.769 -6.267 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -2.970 2.863 -6.237 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.505 2.483 -3.707 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.270 3.717 -3.861 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.079 5.178 -4.976 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.241 3.985 -4.432 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.724 4.472 -2.099 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.437 5.563 -2.574 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.531 6.658 -1.932 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.001 7.070 -3.491 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.283 5.975 -3.293 1.00 1.11 H new ATOM 439 N ALA A 28 -0.814 1.315 -8.289 1.00 0.39 N ATOM 440 CA ALA A 28 -0.881 0.588 -9.519 1.00 0.39 C ATOM 441 C ALA A 28 -0.630 -0.881 -9.529 1.00 0.36 C ATOM 442 O ALA A 28 -1.291 -1.608 -10.269 1.00 0.42 O ATOM 443 CB ALA A 28 0.009 1.383 -10.489 1.00 0.51 C ATOM 0 H ALA A 28 -0.175 2.110 -8.313 1.00 0.39 H new ATOM 0 HA ALA A 28 -1.929 0.536 -9.813 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.015 0.893 -11.462 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.382 2.395 -10.595 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.026 1.425 -10.098 1.00 0.51 H new ATOM 449 N LYS A 29 0.234 -1.384 -8.630 1.00 0.39 N ATOM 450 CA LYS A 29 0.409 -2.799 -8.520 1.00 0.43 C ATOM 451 C LYS A 29 -0.677 -3.435 -7.721 1.00 0.44 C ATOM 452 O LYS A 29 -1.059 -4.581 -7.952 1.00 0.54 O ATOM 453 CB LYS A 29 1.764 -2.873 -7.796 1.00 0.54 C ATOM 454 CG LYS A 29 2.160 -4.292 -7.385 1.00 0.65 C ATOM 455 CD LYS A 29 2.292 -5.331 -8.501 1.00 1.08 C ATOM 456 CE LYS A 29 3.272 -4.795 -9.546 1.00 1.24 C ATOM 457 NZ LYS A 29 3.523 -5.660 -10.720 1.00 1.44 N ATOM 0 H LYS A 29 0.801 -0.826 -7.992 1.00 0.39 H new ATOM 0 HA LYS A 29 0.378 -3.327 -9.473 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.537 -2.463 -8.446 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.727 -2.243 -6.907 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.113 -4.238 -6.859 1.00 0.65 H new ATOM 0 HG3 LYS A 29 1.422 -4.655 -6.670 1.00 0.65 H new ATOM 0 HD2 LYS A 29 2.649 -6.278 -8.097 1.00 1.08 H new ATOM 0 HD3 LYS A 29 1.321 -5.524 -8.956 1.00 1.08 H new ATOM 0 HE2 LYS A 29 2.899 -3.835 -9.903 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.225 -4.603 -9.053 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 4.201 -5.194 -11.356 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 3.915 -6.570 -10.403 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 2.630 -5.825 -11.227 1.00 1.44 H new ATOM 471 N ILE A 30 -1.185 -2.745 -6.685 1.00 0.41 N ATOM 472 CA ILE A 30 -2.345 -3.175 -5.968 1.00 0.44 C ATOM 473 C ILE A 30 -3.577 -3.277 -6.800 1.00 0.45 C ATOM 474 O ILE A 30 -4.274 -4.291 -6.761 1.00 0.56 O ATOM 475 CB ILE A 30 -2.582 -2.346 -4.741 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.323 -2.260 -3.861 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.706 -2.960 -3.889 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.432 -1.380 -2.616 1.00 1.32 C ATOM 0 H ILE A 30 -0.784 -1.873 -6.339 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.120 -4.194 -5.654 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.856 -1.348 -5.084 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.055 -3.268 -3.546 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.501 -1.888 -4.473 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.866 -2.347 -3.002 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.625 -3.000 -4.473 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.424 -3.969 -3.587 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.486 -1.396 -2.075 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.663 -0.357 -2.913 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.225 -1.759 -1.971 1.00 1.32 H new ATOM 490 N GLN A 31 -3.794 -2.279 -7.674 1.00 0.41 N ATOM 491 CA GLN A 31 -4.811 -2.166 -8.673 1.00 0.48 C ATOM 492 C GLN A 31 -4.794 -3.327 -9.608 1.00 0.52 C ATOM 493 O GLN A 31 -5.899 -3.725 -9.975 1.00 0.66 O ATOM 494 CB GLN A 31 -4.498 -0.886 -9.465 1.00 0.52 C ATOM 495 CG GLN A 31 -5.541 -0.434 -10.489 1.00 0.70 C ATOM 496 CD GLN A 31 -5.073 0.865 -11.129 1.00 0.97 C ATOM 497 OE1 GLN A 31 -3.978 1.377 -10.898 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.934 1.459 -11.997 1.00 1.43 N ATOM 0 H GLN A 31 -3.186 -1.460 -7.678 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.794 -2.139 -8.202 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.348 -0.075 -8.753 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.552 -1.032 -9.986 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.678 -1.201 -11.251 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.507 -0.289 -10.005 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -6.841 1.033 -12.187 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.673 2.331 -12.458 1.00 1.43 H new ATOM 507 N ASP A 32 -3.620 -3.841 -10.017 1.00 0.50 N ATOM 508 CA ASP A 32 -3.496 -4.992 -10.856 1.00 0.60 C ATOM 509 C ASP A 32 -3.864 -6.268 -10.181 1.00 0.65 C ATOM 510 O ASP A 32 -4.645 -7.047 -10.725 1.00 0.81 O ATOM 511 CB ASP A 32 -2.061 -5.026 -11.408 1.00 0.67 C ATOM 512 CG ASP A 32 -1.906 -5.944 -12.612 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.430 -5.588 -13.702 1.00 1.51 O ATOM 514 OD2 ASP A 32 -1.271 -7.024 -12.482 1.00 1.55 O ATOM 0 H ASP A 32 -2.721 -3.438 -9.752 1.00 0.50 H new ATOM 0 HA ASP A 32 -4.214 -4.904 -11.672 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.762 -4.016 -11.688 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.383 -5.353 -10.620 1.00 0.67 H new ATOM 519 N LYS A 33 -3.392 -6.497 -8.942 1.00 0.62 N ATOM 520 CA LYS A 33 -3.632 -7.720 -8.242 1.00 0.73 C ATOM 521 C LYS A 33 -5.036 -7.920 -7.785 1.00 0.69 C ATOM 522 O LYS A 33 -5.681 -8.925 -8.083 1.00 0.83 O ATOM 523 CB LYS A 33 -2.824 -7.797 -6.935 1.00 0.85 C ATOM 524 CG LYS A 33 -1.311 -7.874 -7.150 1.00 1.31 C ATOM 525 CD LYS A 33 -0.931 -9.297 -7.566 1.00 1.71 C ATOM 526 CE LYS A 33 0.577 -9.528 -7.457 1.00 2.26 C ATOM 527 NZ LYS A 33 0.814 -10.988 -7.410 1.00 2.62 N ATOM 0 H LYS A 33 -2.835 -5.822 -8.418 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.354 -8.468 -8.985 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -3.051 -6.922 -6.326 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.147 -8.671 -6.370 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.005 -7.164 -7.918 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.788 -7.598 -6.235 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.457 -10.014 -6.936 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.255 -9.476 -8.591 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.093 -9.085 -8.309 1.00 2.26 H new ATOM 0 HE3 LYS A 33 0.972 -9.049 -6.561 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 1.835 -11.172 -7.336 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.328 -11.392 -6.584 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.445 -11.428 -8.277 1.00 2.62 H new ATOM 541 N GLU A 34 -5.596 -6.922 -7.080 1.00 0.63 N ATOM 542 CA GLU A 34 -6.827 -6.975 -6.354 1.00 0.67 C ATOM 543 C GLU A 34 -7.957 -6.278 -7.030 1.00 0.69 C ATOM 544 O GLU A 34 -9.121 -6.487 -6.689 1.00 0.95 O ATOM 545 CB GLU A 34 -6.709 -6.291 -4.981 1.00 0.73 C ATOM 546 CG GLU A 34 -6.004 -7.236 -4.006 1.00 0.83 C ATOM 547 CD GLU A 34 -7.009 -8.264 -3.505 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.871 -7.846 -2.687 1.00 1.37 O ATOM 549 OE2 GLU A 34 -7.016 -9.455 -3.914 1.00 1.48 O ATOM 0 H GLU A 34 -5.152 -6.006 -7.013 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.028 -8.043 -6.276 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.149 -5.360 -5.072 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.699 -6.033 -4.604 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -5.169 -7.734 -4.500 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.590 -6.674 -3.169 1.00 0.83 H new ATOM 556 N GLY A 35 -7.736 -5.439 -8.056 1.00 0.63 N ATOM 557 CA GLY A 35 -8.780 -4.812 -8.808 1.00 0.68 C ATOM 558 C GLY A 35 -9.512 -3.772 -8.032 1.00 0.76 C ATOM 559 O GLY A 35 -10.742 -3.758 -8.021 1.00 1.12 O ATOM 0 H GLY A 35 -6.800 -5.188 -8.374 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.354 -4.357 -9.702 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.486 -5.572 -9.143 1.00 0.68 H new ATOM 563 N ILE A 36 -8.692 -2.901 -7.418 1.00 0.70 N ATOM 564 CA ILE A 36 -9.281 -1.839 -6.664 1.00 0.76 C ATOM 565 C ILE A 36 -8.687 -0.592 -7.223 1.00 0.71 C ATOM 566 O ILE A 36 -7.459 -0.531 -7.264 1.00 0.73 O ATOM 567 CB ILE A 36 -8.811 -1.818 -5.239 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.181 -3.134 -4.534 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.402 -0.607 -4.499 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.320 -3.329 -3.287 1.00 1.16 C ATOM 0 H ILE A 36 -7.672 -2.925 -7.439 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.365 -1.943 -6.709 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.725 -1.723 -5.228 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.235 -3.122 -4.258 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.040 -3.972 -5.216 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.052 -0.605 -3.467 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.083 0.312 -4.992 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.490 -0.668 -4.513 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.593 -4.264 -2.799 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.269 -3.362 -3.572 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.483 -2.499 -2.599 1.00 1.16 H new ATOM 582 N PRO A 37 -9.374 0.421 -7.661 1.00 0.75 N ATOM 583 CA PRO A 37 -8.817 1.627 -8.201 1.00 0.79 C ATOM 584 C PRO A 37 -8.085 2.410 -7.166 1.00 0.75 C ATOM 585 O PRO A 37 -8.414 2.355 -5.982 1.00 0.75 O ATOM 586 CB PRO A 37 -9.991 2.508 -8.621 1.00 0.95 C ATOM 587 CG PRO A 37 -11.081 1.448 -8.846 1.00 1.02 C ATOM 588 CD PRO A 37 -10.827 0.441 -7.713 1.00 0.85 C ATOM 0 HA PRO A 37 -8.139 1.361 -9.012 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.266 3.226 -7.848 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.777 3.079 -9.525 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.081 1.879 -8.786 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.993 0.981 -9.827 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.266 0.766 -6.770 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.243 -0.541 -7.937 1.00 0.85 H new ATOM 596 N PRO A 38 -7.075 3.167 -7.478 1.00 0.81 N ATOM 597 CA PRO A 38 -6.235 3.852 -6.539 1.00 0.85 C ATOM 598 C PRO A 38 -6.944 4.827 -5.665 1.00 0.89 C ATOM 599 O PRO A 38 -6.694 4.954 -4.467 1.00 0.99 O ATOM 600 CB PRO A 38 -5.241 4.623 -7.403 1.00 1.01 C ATOM 601 CG PRO A 38 -4.963 3.675 -8.582 1.00 1.25 C ATOM 602 CD PRO A 38 -6.264 2.862 -8.647 1.00 0.98 C ATOM 0 HA PRO A 38 -5.795 3.121 -5.860 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.658 5.571 -7.742 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.329 4.855 -6.853 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.774 4.219 -9.508 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.094 3.042 -8.401 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.812 3.102 -9.558 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.040 1.796 -8.681 1.00 0.98 H new ATOM 610 N ASP A 39 -8.010 5.429 -6.224 1.00 0.96 N ATOM 611 CA ASP A 39 -8.951 6.349 -5.666 1.00 1.11 C ATOM 612 C ASP A 39 -9.602 5.751 -4.466 1.00 1.00 C ATOM 613 O ASP A 39 -9.991 6.480 -3.556 1.00 1.14 O ATOM 614 CB ASP A 39 -10.066 6.836 -6.605 1.00 1.39 C ATOM 615 CG ASP A 39 -9.607 7.688 -7.780 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.527 8.932 -7.602 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.454 7.073 -8.869 1.00 2.25 O ATOM 0 H ASP A 39 -8.237 5.241 -7.200 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.345 7.224 -5.430 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.595 5.966 -6.994 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.784 7.411 -6.020 1.00 1.39 H new ATOM 622 N GLN A 40 -9.965 4.456 -4.509 1.00 0.87 N ATOM 623 CA GLN A 40 -10.626 3.827 -3.408 1.00 0.84 C ATOM 624 C GLN A 40 -9.694 3.224 -2.415 1.00 0.67 C ATOM 625 O GLN A 40 -10.163 2.688 -1.412 1.00 0.80 O ATOM 626 CB GLN A 40 -11.537 2.704 -3.932 1.00 0.95 C ATOM 627 CG GLN A 40 -12.726 3.139 -4.791 1.00 1.32 C ATOM 628 CD GLN A 40 -13.791 2.089 -5.076 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.633 0.880 -4.919 1.00 1.70 O ATOM 630 NE2 GLN A 40 -15.038 2.544 -5.373 1.00 2.02 N ATOM 0 H GLN A 40 -9.800 3.844 -5.308 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.187 4.614 -2.905 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.928 2.014 -4.516 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.919 2.147 -3.077 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.207 3.985 -4.301 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.341 3.500 -5.745 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -15.198 3.542 -5.508 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.813 1.887 -5.460 1.00 2.02 H new ATOM 639 N GLN A 41 -8.363 3.347 -2.569 1.00 0.56 N ATOM 640 CA GLN A 41 -7.320 2.742 -1.801 1.00 0.51 C ATOM 641 C GLN A 41 -6.833 3.504 -0.617 1.00 0.49 C ATOM 642 O GLN A 41 -6.360 4.631 -0.763 1.00 0.65 O ATOM 643 CB GLN A 41 -6.101 2.259 -2.604 1.00 0.67 C ATOM 644 CG GLN A 41 -6.379 1.021 -3.461 1.00 0.69 C ATOM 645 CD GLN A 41 -5.168 0.643 -4.299 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.076 0.525 -3.746 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.305 0.349 -5.620 1.00 0.61 N ATOM 0 H GLN A 41 -7.981 3.933 -3.311 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.866 1.874 -1.431 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.759 3.068 -3.250 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.287 2.037 -1.914 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.653 0.185 -2.817 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.230 1.213 -4.114 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.213 0.449 -6.073 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.499 0.029 -6.157 1.00 0.61 H new ATOM 656 N ARG A 42 -6.942 3.079 0.655 1.00 0.47 N ATOM 657 CA ARG A 42 -6.252 3.752 1.710 1.00 0.55 C ATOM 658 C ARG A 42 -5.169 2.907 2.290 1.00 0.46 C ATOM 659 O ARG A 42 -5.438 1.849 2.856 1.00 0.52 O ATOM 660 CB ARG A 42 -7.332 4.128 2.738 1.00 0.73 C ATOM 661 CG ARG A 42 -6.751 4.785 3.992 1.00 1.04 C ATOM 662 CD ARG A 42 -7.796 5.377 4.938 1.00 1.28 C ATOM 663 NE ARG A 42 -8.560 6.435 4.219 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.849 6.794 4.484 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.569 6.233 5.501 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.402 7.863 3.841 1.00 2.78 N ATOM 0 H ARG A 42 -7.501 2.279 0.950 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.737 4.643 1.351 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.047 4.808 2.275 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.883 3.232 3.024 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.164 4.045 4.536 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -6.065 5.575 3.688 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.472 4.597 5.287 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.311 5.797 5.819 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.080 6.931 3.468 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.144 5.519 6.093 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.531 6.528 5.668 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.852 8.391 3.164 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.366 8.134 4.037 1.00 2.78 H new ATOM 680 N LEU A 43 -3.887 3.234 2.053 1.00 0.46 N ATOM 681 CA LEU A 43 -2.790 2.464 2.552 1.00 0.42 C ATOM 682 C LEU A 43 -2.419 2.985 3.899 1.00 0.43 C ATOM 683 O LEU A 43 -2.189 4.186 4.025 1.00 0.55 O ATOM 684 CB LEU A 43 -1.502 2.385 1.716 1.00 0.55 C ATOM 685 CG LEU A 43 -1.620 1.442 0.506 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.376 1.578 -0.388 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.792 -0.020 0.949 1.00 1.12 C ATOM 0 H LEU A 43 -3.606 4.047 1.505 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.179 1.446 2.539 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.242 3.384 1.366 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.684 2.048 2.352 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.507 1.728 -0.059 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.467 0.907 -1.242 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.292 2.606 -0.741 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.514 1.317 0.185 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.872 -0.659 0.070 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.929 -0.324 1.542 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.696 -0.114 1.550 1.00 1.12 H new ATOM 699 N ILE A 44 -2.422 2.204 4.994 1.00 0.42 N ATOM 700 CA ILE A 44 -2.046 2.534 6.334 1.00 0.46 C ATOM 701 C ILE A 44 -0.798 1.828 6.740 1.00 0.42 C ATOM 702 O ILE A 44 -0.561 0.626 6.634 1.00 0.53 O ATOM 703 CB ILE A 44 -3.126 2.132 7.295 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.530 2.714 7.054 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.845 2.302 8.797 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.754 4.218 7.204 1.00 1.27 C ATOM 0 H ILE A 44 -2.723 1.231 4.929 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.885 3.612 6.361 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.112 1.072 7.043 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.830 2.438 6.043 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.214 2.212 7.738 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.712 1.972 9.369 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.978 1.703 9.075 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.646 3.352 9.013 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.798 4.453 6.998 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.507 4.523 8.221 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.116 4.753 6.500 1.00 1.27 H new ATOM 718 N PHE A 45 0.217 2.606 7.156 1.00 0.42 N ATOM 719 CA PHE A 45 1.427 2.085 7.713 1.00 0.46 C ATOM 720 C PHE A 45 1.650 2.893 8.944 1.00 0.68 C ATOM 721 O PHE A 45 1.552 4.116 8.840 1.00 1.50 O ATOM 722 CB PHE A 45 2.524 1.944 6.646 1.00 0.56 C ATOM 723 CG PHE A 45 3.865 1.632 7.217 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.229 0.377 7.644 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.726 2.672 7.474 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.363 0.113 8.374 1.00 1.20 C ATOM 727 CE2 PHE A 45 5.916 2.446 8.124 1.00 1.33 C ATOM 728 CZ PHE A 45 6.223 1.174 8.545 1.00 1.02 C ATOM 0 H PHE A 45 0.196 3.624 7.104 1.00 0.42 H new ATOM 0 HA PHE A 45 1.405 1.046 8.041 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.242 1.157 5.947 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.587 2.870 6.075 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.585 -0.452 7.390 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.466 3.673 7.163 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.566 -0.864 8.787 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.603 3.260 8.302 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.174 1.001 9.028 1.00 1.02 H new ATOM 738 N ALA A 46 1.997 2.295 10.098 1.00 0.81 N ATOM 739 CA ALA A 46 2.189 2.961 11.348 1.00 0.96 C ATOM 740 C ALA A 46 1.191 3.966 11.812 1.00 0.97 C ATOM 741 O ALA A 46 1.614 4.919 12.465 1.00 1.21 O ATOM 742 CB ALA A 46 3.619 3.514 11.470 1.00 1.20 C ATOM 0 H ALA A 46 2.152 1.289 10.161 1.00 0.81 H new ATOM 0 HA ALA A 46 2.008 2.143 12.045 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.735 4.015 12.431 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.333 2.694 11.400 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.804 4.226 10.665 1.00 1.20 H new ATOM 748 N GLY A 47 -0.087 3.845 11.412 1.00 0.99 N ATOM 749 CA GLY A 47 -1.155 4.742 11.726 1.00 1.10 C ATOM 750 C GLY A 47 -1.291 5.813 10.700 1.00 1.03 C ATOM 751 O GLY A 47 -2.269 6.558 10.707 1.00 1.30 O ATOM 0 H GLY A 47 -0.394 3.066 10.829 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -2.089 4.185 11.798 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.977 5.193 12.702 1.00 1.10 H new ATOM 755 N LYS A 48 -0.312 5.976 9.792 1.00 0.98 N ATOM 756 CA LYS A 48 -0.397 7.001 8.799 1.00 1.05 C ATOM 757 C LYS A 48 -1.135 6.605 7.568 1.00 0.84 C ATOM 758 O LYS A 48 -0.975 5.483 7.088 1.00 0.81 O ATOM 759 CB LYS A 48 0.930 7.558 8.255 1.00 1.42 C ATOM 760 CG LYS A 48 1.873 8.121 9.321 1.00 1.61 C ATOM 761 CD LYS A 48 1.411 9.446 9.930 1.00 1.87 C ATOM 762 CE LYS A 48 2.436 10.201 10.779 1.00 2.22 C ATOM 763 NZ LYS A 48 3.379 11.013 9.978 1.00 2.55 N ATOM 0 H LYS A 48 0.531 5.404 9.745 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.915 7.756 9.390 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.447 6.765 7.715 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.709 8.344 7.533 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.982 7.386 10.118 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.860 8.261 8.880 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.091 10.101 9.120 1.00 1.87 H new ATOM 0 HD3 LYS A 48 0.534 9.250 10.547 1.00 1.87 H new ATOM 0 HE2 LYS A 48 1.910 10.852 11.477 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.001 9.485 11.376 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.045 11.498 10.612 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.906 10.394 9.330 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 2.849 11.719 9.428 1.00 2.55 H new ATOM 777 N GLN A 49 -1.890 7.498 6.903 1.00 0.84 N ATOM 778 CA GLN A 49 -2.523 7.321 5.633 1.00 0.80 C ATOM 779 C GLN A 49 -1.573 7.685 4.546 1.00 0.72 C ATOM 780 O GLN A 49 -1.216 8.857 4.440 1.00 0.83 O ATOM 781 CB GLN A 49 -3.669 8.339 5.504 1.00 1.03 C ATOM 782 CG GLN A 49 -4.543 8.422 6.756 1.00 1.67 C ATOM 783 CD GLN A 49 -5.926 9.028 6.563 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.952 8.393 6.800 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.060 10.243 5.967 1.00 2.48 N ATOM 0 H GLN A 49 -2.072 8.424 7.290 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.860 6.287 5.559 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.250 9.323 5.295 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.292 8.070 4.651 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.661 7.417 7.160 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.013 9.007 7.507 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.233 10.801 5.754 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.988 10.597 5.733 1.00 2.48 H new ATOM 794 N LEU A 50 -1.022 6.781 3.715 1.00 0.69 N ATOM 795 CA LEU A 50 0.040 7.032 2.790 1.00 0.66 C ATOM 796 C LEU A 50 -0.471 7.870 1.669 1.00 0.72 C ATOM 797 O LEU A 50 -1.520 7.754 1.036 1.00 0.90 O ATOM 798 CB LEU A 50 0.749 5.748 2.327 1.00 0.65 C ATOM 799 CG LEU A 50 1.214 4.850 3.485 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.005 3.642 2.954 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.059 5.505 4.591 1.00 0.74 C ATOM 0 H LEU A 50 -1.340 5.812 3.688 1.00 0.69 H new ATOM 0 HA LEU A 50 0.823 7.593 3.300 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.073 5.181 1.687 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.612 6.019 1.719 1.00 0.65 H new ATOM 0 HG LEU A 50 0.271 4.572 3.955 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.324 3.020 3.790 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.371 3.057 2.288 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.881 3.992 2.407 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.317 4.758 5.342 1.00 0.74 H new ATOM 0 HD22 LEU A 50 2.972 5.914 4.158 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.488 6.307 5.058 1.00 0.74 H new ATOM 813 N GLU A 51 0.311 8.915 1.343 1.00 0.70 N ATOM 814 CA GLU A 51 0.038 9.865 0.310 1.00 0.76 C ATOM 815 C GLU A 51 0.548 9.579 -1.059 1.00 0.77 C ATOM 816 O GLU A 51 1.708 9.216 -1.254 1.00 1.23 O ATOM 817 CB GLU A 51 0.549 11.252 0.734 1.00 0.88 C ATOM 818 CG GLU A 51 0.365 12.430 -0.225 1.00 1.35 C ATOM 819 CD GLU A 51 0.784 13.783 0.332 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.137 14.459 1.176 1.00 1.94 O ATOM 821 OE2 GLU A 51 1.880 14.227 -0.102 1.00 1.89 O ATOM 0 H GLU A 51 1.186 9.107 1.830 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.046 9.808 0.212 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.060 11.511 1.673 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.615 11.161 0.944 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.937 12.234 -1.132 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.684 12.482 -0.515 1.00 1.35 H new ATOM 828 N ASP A 52 -0.222 9.763 -2.146 1.00 0.66 N ATOM 829 CA ASP A 52 0.004 9.343 -3.494 1.00 0.65 C ATOM 830 C ASP A 52 1.268 9.736 -4.179 1.00 0.60 C ATOM 831 O ASP A 52 1.995 8.892 -4.699 1.00 0.62 O ATOM 832 CB ASP A 52 -1.242 9.749 -4.299 1.00 0.81 C ATOM 833 CG ASP A 52 -2.572 9.141 -3.877 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.276 9.714 -3.003 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.909 8.071 -4.451 1.00 1.44 O ATOM 0 H ASP A 52 -1.106 10.266 -2.066 1.00 0.66 H new ATOM 0 HA ASP A 52 0.162 8.266 -3.441 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.336 10.834 -4.251 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.068 9.490 -5.343 1.00 0.81 H new ATOM 840 N GLY A 53 1.578 11.045 -4.215 1.00 0.68 N ATOM 841 CA GLY A 53 2.796 11.512 -4.799 1.00 0.73 C ATOM 842 C GLY A 53 3.912 11.546 -3.812 1.00 0.72 C ATOM 843 O GLY A 53 4.889 12.252 -4.057 1.00 0.97 O ATOM 0 H GLY A 53 0.982 11.782 -3.838 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.069 10.865 -5.633 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.643 12.511 -5.207 1.00 0.73 H new ATOM 847 N ARG A 54 3.903 10.776 -2.708 1.00 0.64 N ATOM 848 CA ARG A 54 5.080 10.582 -1.921 1.00 0.63 C ATOM 849 C ARG A 54 5.620 9.222 -2.200 1.00 0.59 C ATOM 850 O ARG A 54 4.959 8.282 -2.641 1.00 0.62 O ATOM 851 CB ARG A 54 4.770 10.731 -0.422 1.00 0.69 C ATOM 852 CG ARG A 54 4.394 12.173 -0.072 1.00 0.82 C ATOM 853 CD ARG A 54 4.265 12.308 1.446 1.00 1.18 C ATOM 854 NE ARG A 54 3.855 13.719 1.690 1.00 1.50 N ATOM 855 CZ ARG A 54 4.623 14.644 2.339 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.855 14.347 2.846 1.00 2.49 N ATOM 857 NH2 ARG A 54 4.094 15.889 2.521 1.00 2.48 N ATOM 0 H ARG A 54 3.078 10.287 -2.361 1.00 0.64 H new ATOM 0 HA ARG A 54 5.818 11.340 -2.185 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.953 10.063 -0.150 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.638 10.427 0.163 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.153 12.860 -0.446 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.454 12.443 -0.554 1.00 0.82 H new ATOM 0 HD2 ARG A 54 3.525 11.611 1.840 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.210 12.083 1.941 1.00 1.18 H new ATOM 0 HE ARG A 54 2.940 14.014 1.350 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.234 13.405 2.747 1.00 2.49 H new ATOM 0 HH12 ARG A 54 6.397 15.067 3.324 1.00 2.49 H new ATOM 0 HH21 ARG A 54 3.157 16.100 2.177 1.00 2.48 H new ATOM 0 HH22 ARG A 54 4.635 16.608 3.001 1.00 2.48 H new ATOM 871 N THR A 55 6.903 9.019 -1.854 1.00 0.63 N ATOM 872 CA THR A 55 7.676 7.821 -1.961 1.00 0.61 C ATOM 873 C THR A 55 7.745 7.057 -0.684 1.00 0.59 C ATOM 874 O THR A 55 7.564 7.604 0.402 1.00 0.64 O ATOM 875 CB THR A 55 9.097 7.997 -2.408 1.00 0.68 C ATOM 876 OG1 THR A 55 9.638 9.134 -1.751 1.00 0.75 O ATOM 877 CG2 THR A 55 9.187 8.413 -3.886 1.00 0.76 C ATOM 0 H THR A 55 7.456 9.778 -1.457 1.00 0.63 H new ATOM 0 HA THR A 55 7.125 7.283 -2.732 1.00 0.61 H new ATOM 0 HB THR A 55 9.601 7.051 -2.209 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.568 9.262 -2.031 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.233 8.529 -4.168 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.727 7.646 -4.509 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.665 9.359 -4.030 1.00 0.76 H new ATOM 885 N LEU A 56 8.010 5.748 -0.844 1.00 0.58 N ATOM 886 CA LEU A 56 8.118 4.866 0.277 1.00 0.59 C ATOM 887 C LEU A 56 9.170 5.235 1.266 1.00 0.64 C ATOM 888 O LEU A 56 9.137 4.975 2.467 1.00 0.70 O ATOM 889 CB LEU A 56 8.433 3.443 -0.214 1.00 0.60 C ATOM 890 CG LEU A 56 7.337 2.784 -1.070 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.882 1.465 -1.645 1.00 1.05 C ATOM 892 CD2 LEU A 56 5.988 2.563 -0.364 1.00 1.03 C ATOM 0 H LEU A 56 8.150 5.300 -1.750 1.00 0.58 H new ATOM 0 HA LEU A 56 7.155 4.936 0.783 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.355 3.473 -0.794 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.622 2.811 0.654 1.00 0.60 H new ATOM 0 HG LEU A 56 7.102 3.493 -1.864 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.114 0.989 -2.254 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.757 1.671 -2.261 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.162 0.800 -0.828 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.288 2.094 -1.055 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.132 1.916 0.501 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.587 3.522 -0.037 1.00 1.03 H new ATOM 904 N SER A 57 10.285 5.834 0.809 1.00 0.68 N ATOM 905 CA SER A 57 11.406 6.351 1.528 1.00 0.75 C ATOM 906 C SER A 57 11.189 7.567 2.362 1.00 0.76 C ATOM 907 O SER A 57 11.905 7.849 3.321 1.00 0.84 O ATOM 908 CB SER A 57 12.632 6.654 0.649 1.00 0.84 C ATOM 909 OG SER A 57 12.409 7.650 -0.337 1.00 1.19 O ATOM 0 H SER A 57 10.411 5.970 -0.194 1.00 0.68 H new ATOM 0 HA SER A 57 11.579 5.507 2.196 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.455 6.971 1.290 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.948 5.735 0.156 1.00 0.84 H new ATOM 0 HG SER A 57 13.230 7.789 -0.853 1.00 1.19 H new ATOM 915 N ASP A 58 10.201 8.406 2.003 1.00 0.75 N ATOM 916 CA ASP A 58 9.771 9.564 2.724 1.00 0.78 C ATOM 917 C ASP A 58 9.110 9.172 4.001 1.00 0.77 C ATOM 918 O ASP A 58 9.228 9.899 4.985 1.00 0.86 O ATOM 919 CB ASP A 58 8.759 10.325 1.851 1.00 0.83 C ATOM 920 CG ASP A 58 8.465 11.746 2.312 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.491 12.472 2.394 1.00 1.90 O ATOM 922 OD2 ASP A 58 7.341 12.114 2.748 1.00 1.86 O ATOM 0 H ASP A 58 9.665 8.264 1.147 1.00 0.75 H new ATOM 0 HA ASP A 58 10.635 10.187 2.956 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.135 10.359 0.828 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.825 9.764 1.828 1.00 0.83 H new ATOM 927 N TYR A 59 8.345 8.065 3.987 1.00 0.72 N ATOM 928 CA TYR A 59 7.595 7.520 5.076 1.00 0.73 C ATOM 929 C TYR A 59 8.549 6.727 5.901 1.00 0.76 C ATOM 930 O TYR A 59 8.105 6.324 6.975 1.00 0.89 O ATOM 931 CB TYR A 59 6.340 6.699 4.736 1.00 0.73 C ATOM 932 CG TYR A 59 5.288 7.673 4.332 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.101 8.085 3.034 1.00 0.67 C ATOM 934 CD2 TYR A 59 4.443 8.185 5.288 1.00 0.74 C ATOM 935 CE1 TYR A 59 4.002 8.829 2.676 1.00 0.70 C ATOM 936 CE2 TYR A 59 3.490 9.140 5.027 1.00 0.77 C ATOM 937 CZ TYR A 59 3.264 9.386 3.692 1.00 0.74 C ATOM 938 OH TYR A 59 2.132 10.099 3.241 1.00 0.86 O ATOM 0 H TYR A 59 8.244 7.505 3.140 1.00 0.72 H new ATOM 0 HA TYR A 59 7.163 8.368 5.607 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.545 5.994 3.930 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.016 6.114 5.596 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.830 7.820 2.283 1.00 0.67 H new ATOM 0 HD2 TYR A 59 4.533 7.817 6.299 1.00 0.74 H new ATOM 0 HE1 TYR A 59 3.730 8.970 1.640 1.00 0.70 H new ATOM 0 HE2 TYR A 59 2.958 9.659 5.811 1.00 0.77 H new ATOM 0 HH TYR A 59 1.650 10.469 4.010 1.00 0.86 H new ATOM 948 N ASN A 60 9.753 6.436 5.378 1.00 0.74 N ATOM 949 CA ASN A 60 10.781 5.645 5.980 1.00 0.79 C ATOM 950 C ASN A 60 10.290 4.242 6.095 1.00 0.75 C ATOM 951 O ASN A 60 10.321 3.649 7.172 1.00 0.86 O ATOM 952 CB ASN A 60 11.209 6.168 7.360 1.00 0.95 C ATOM 953 CG ASN A 60 11.814 7.546 7.134 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.162 8.581 7.261 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.133 7.579 6.802 1.00 1.83 N ATOM 0 H ASN A 60 10.028 6.783 4.459 1.00 0.74 H new ATOM 0 HA ASN A 60 11.664 5.700 5.344 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.355 6.226 8.035 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.934 5.497 7.821 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.599 8.474 6.653 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.656 6.709 6.702 1.00 1.83 H new ATOM 962 N ILE A 61 9.892 3.664 4.946 1.00 0.67 N ATOM 963 CA ILE A 61 9.401 2.324 4.859 1.00 0.65 C ATOM 964 C ILE A 61 10.576 1.542 4.384 1.00 0.66 C ATOM 965 O ILE A 61 11.290 1.994 3.491 1.00 0.75 O ATOM 966 CB ILE A 61 8.229 2.176 3.934 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.077 3.107 4.348 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.817 0.696 3.865 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.784 3.088 3.535 1.00 0.82 C ATOM 0 H ILE A 61 9.913 4.147 4.048 1.00 0.67 H new ATOM 0 HA ILE A 61 9.016 1.980 5.819 1.00 0.65 H new ATOM 0 HB ILE A 61 8.511 2.485 2.928 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.820 2.874 5.381 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.458 4.128 4.337 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.966 0.586 3.193 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.652 0.103 3.492 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.541 0.348 4.861 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.077 3.801 3.959 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.000 3.361 2.502 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.351 2.088 3.563 1.00 0.82 H new ATOM 981 N GLN A 62 10.851 0.358 4.960 1.00 0.67 N ATOM 982 CA GLN A 62 11.948 -0.501 4.641 1.00 0.70 C ATOM 983 C GLN A 62 11.451 -1.725 3.952 1.00 0.62 C ATOM 984 O GLN A 62 10.274 -2.034 3.775 1.00 0.64 O ATOM 985 CB GLN A 62 12.835 -0.733 5.875 1.00 0.85 C ATOM 986 CG GLN A 62 13.446 0.544 6.457 1.00 1.27 C ATOM 987 CD GLN A 62 14.452 0.347 7.582 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.071 0.593 8.726 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.671 -0.179 7.288 1.00 2.16 N ATOM 0 H GLN A 62 10.264 -0.025 5.701 1.00 0.67 H new ATOM 0 HA GLN A 62 12.617 -0.027 3.922 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.243 -1.224 6.647 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.639 -1.418 5.607 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.935 1.090 5.650 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.637 1.175 6.825 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.928 -0.360 6.318 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.329 -0.392 8.038 1.00 2.16 H new ATOM 998 N LYS A 63 12.449 -2.552 3.593 1.00 0.64 N ATOM 999 CA LYS A 63 12.166 -3.886 3.159 1.00 0.62 C ATOM 1000 C LYS A 63 11.483 -4.768 4.146 1.00 0.59 C ATOM 1001 O LYS A 63 11.551 -4.523 5.349 1.00 0.66 O ATOM 1002 CB LYS A 63 13.447 -4.588 2.681 1.00 0.74 C ATOM 1003 CG LYS A 63 14.495 -4.850 3.765 1.00 0.89 C ATOM 1004 CD LYS A 63 15.645 -5.686 3.197 1.00 1.11 C ATOM 1005 CE LYS A 63 16.876 -5.782 4.099 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.756 -6.870 3.614 1.00 2.12 N ATOM 0 H LYS A 63 13.438 -2.303 3.602 1.00 0.64 H new ATOM 0 HA LYS A 63 11.455 -3.741 2.346 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.172 -5.540 2.228 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.903 -3.982 1.898 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.878 -3.904 4.147 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.037 -5.372 4.605 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.279 -6.693 2.997 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.946 -5.261 2.240 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.416 -4.835 4.099 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.573 -5.976 5.128 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.594 -6.937 4.226 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.238 -7.771 3.636 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.055 -6.666 2.639 1.00 2.12 H new ATOM 1020 N GLU A 64 10.705 -5.767 3.691 1.00 0.57 N ATOM 1021 CA GLU A 64 9.962 -6.655 4.531 1.00 0.58 C ATOM 1022 C GLU A 64 8.846 -6.019 5.286 1.00 0.56 C ATOM 1023 O GLU A 64 8.381 -6.598 6.266 1.00 0.70 O ATOM 1024 CB GLU A 64 10.777 -7.570 5.461 1.00 0.72 C ATOM 1025 CG GLU A 64 11.903 -8.252 4.681 1.00 0.96 C ATOM 1026 CD GLU A 64 12.712 -9.264 5.480 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.338 -9.448 6.669 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.724 -9.795 4.950 1.00 1.69 O ATOM 0 H GLU A 64 10.589 -5.964 2.697 1.00 0.57 H new ATOM 0 HA GLU A 64 9.529 -7.309 3.774 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.195 -6.987 6.281 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.125 -8.322 5.905 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.473 -8.755 3.815 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.579 -7.486 4.302 1.00 0.96 H new ATOM 1035 N SER A 65 8.448 -4.772 4.973 1.00 0.51 N ATOM 1036 CA SER A 65 7.442 -4.086 5.722 1.00 0.51 C ATOM 1037 C SER A 65 6.100 -4.392 5.149 1.00 0.43 C ATOM 1038 O SER A 65 5.878 -4.646 3.967 1.00 0.50 O ATOM 1039 CB SER A 65 7.559 -2.554 5.787 1.00 0.65 C ATOM 1040 OG SER A 65 8.819 -2.226 6.351 1.00 1.04 O ATOM 0 H SER A 65 8.828 -4.235 4.193 1.00 0.51 H new ATOM 0 HA SER A 65 7.583 -4.451 6.739 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.466 -2.124 4.790 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.753 -2.137 6.391 1.00 0.65 H new ATOM 0 HG SER A 65 9.482 -2.130 5.636 1.00 1.04 H new ATOM 1046 N THR A 66 5.090 -4.373 6.038 1.00 0.45 N ATOM 1047 CA THR A 66 3.755 -4.710 5.653 1.00 0.45 C ATOM 1048 C THR A 66 2.894 -3.500 5.528 1.00 0.43 C ATOM 1049 O THR A 66 2.623 -2.825 6.520 1.00 0.58 O ATOM 1050 CB THR A 66 2.944 -5.548 6.597 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.616 -6.787 6.769 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.512 -5.875 6.143 1.00 0.78 C ATOM 0 H THR A 66 5.198 -4.125 7.021 1.00 0.45 H new ATOM 0 HA THR A 66 3.963 -5.261 4.736 1.00 0.45 H new ATOM 0 HB THR A 66 2.851 -4.953 7.505 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.105 -7.353 7.385 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.020 -6.484 6.901 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.954 -4.949 6.003 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.545 -6.424 5.202 1.00 0.78 H new ATOM 1060 N LEU A 67 2.312 -3.216 4.350 1.00 0.38 N ATOM 1061 CA LEU A 67 1.357 -2.172 4.144 1.00 0.38 C ATOM 1062 C LEU A 67 -0.043 -2.631 4.367 1.00 0.37 C ATOM 1063 O LEU A 67 -0.419 -3.745 4.007 1.00 0.50 O ATOM 1064 CB LEU A 67 1.654 -1.472 2.807 1.00 0.46 C ATOM 1065 CG LEU A 67 3.117 -1.166 2.445 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.170 -0.402 1.110 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.833 -0.363 3.543 1.00 1.31 C ATOM 0 H LEU A 67 2.517 -3.740 3.499 1.00 0.38 H new ATOM 0 HA LEU A 67 1.461 -1.400 4.906 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.238 -2.089 2.011 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.107 -0.529 2.798 1.00 0.46 H new ATOM 0 HG LEU A 67 3.640 -2.117 2.350 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.208 -0.186 0.855 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.723 -1.011 0.324 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.617 0.533 1.204 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.863 -0.172 3.241 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.317 0.585 3.695 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.827 -0.932 4.472 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.892 -1.862 5.072 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.204 -2.332 5.392 1.00 0.37 C ATOM 1081 C HIS A 68 -3.115 -1.581 4.483 1.00 0.35 C ATOM 1082 O HIS A 68 -3.155 -0.353 4.418 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.527 -2.125 6.881 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.754 -3.061 7.762 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.510 -2.898 8.339 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.255 -4.153 8.400 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.311 -3.872 9.267 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.357 -4.676 9.309 1.00 1.51 N ATOM 0 H HIS A 68 -0.674 -0.927 5.417 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.311 -3.406 5.243 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.302 -1.096 7.161 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.595 -2.273 7.044 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.238 -4.562 8.217 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.573 -3.973 9.879 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.476 -5.506 9.889 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.890 -2.334 3.683 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.805 -1.881 2.682 1.00 0.38 C ATOM 1098 C LEU A 69 -6.181 -1.757 3.240 1.00 0.41 C ATOM 1099 O LEU A 69 -6.733 -2.749 3.715 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.832 -2.677 1.366 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.870 -2.299 0.296 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.630 -0.843 -0.138 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.772 -3.241 -0.915 1.00 1.14 C ATOM 0 H LEU A 69 -3.873 -3.352 3.744 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.413 -0.904 2.397 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.845 -2.598 0.911 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.984 -3.727 1.618 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.871 -2.398 0.715 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.361 -0.564 -0.897 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.733 -0.185 0.724 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.625 -0.747 -0.549 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.515 -2.955 -1.659 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.776 -3.170 -1.351 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.955 -4.266 -0.594 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.670 -0.518 3.426 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.015 -0.236 3.819 1.00 0.56 C ATOM 1117 C VAL A 70 -8.724 0.110 2.554 1.00 0.55 C ATOM 1118 O VAL A 70 -8.348 0.857 1.651 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.194 0.694 4.982 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.651 0.840 5.455 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.308 0.164 6.122 1.00 0.97 C ATOM 0 H VAL A 70 -6.105 0.321 3.297 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.476 -1.108 4.283 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.904 1.696 4.667 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.692 1.529 6.298 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.261 1.228 4.639 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.033 -0.133 5.763 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.408 0.813 6.992 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.620 -0.847 6.386 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.268 0.149 5.797 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.970 -0.395 2.496 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.883 -0.016 1.461 1.00 0.84 C ATOM 1133 C LEU A 71 -11.590 1.205 1.938 1.00 0.85 C ATOM 1134 O LEU A 71 -12.174 1.267 3.019 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.950 -1.074 1.130 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.373 -2.388 0.577 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.530 -3.344 0.244 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.307 -2.314 -0.529 1.00 2.78 C ATOM 0 H LEU A 71 -10.346 -1.066 3.166 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.301 0.130 0.551 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.524 -1.291 2.031 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.646 -0.659 0.401 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.761 -2.783 1.388 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.129 -4.278 -0.149 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -13.105 -3.548 1.147 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.178 -2.885 -0.503 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -10.003 -3.323 -0.810 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.720 -1.804 -1.399 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.441 -1.763 -0.163 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.694 2.204 1.044 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.352 3.458 1.246 1.00 1.10 C ATOM 1152 C ARG A 72 -13.782 3.374 0.837 1.00 1.35 C ATOM 1153 O ARG A 72 -14.018 3.094 -0.337 1.00 1.56 O ATOM 1154 CB ARG A 72 -11.482 4.545 0.593 1.00 1.34 C ATOM 1155 CG ARG A 72 -12.006 5.973 0.763 1.00 1.65 C ATOM 1156 CD ARG A 72 -11.025 7.077 0.361 1.00 1.99 C ATOM 1157 NE ARG A 72 -11.699 8.397 0.206 1.00 2.54 N ATOM 1158 CZ ARG A 72 -12.189 8.992 -0.922 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -11.996 8.449 -2.160 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -13.278 9.790 -0.728 1.00 3.75 N ATOM 0 H ARG A 72 -11.288 2.129 0.111 1.00 0.92 H new ATOM 0 HA ARG A 72 -12.434 3.740 2.296 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -10.478 4.489 1.014 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -11.394 4.329 -0.472 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -12.915 6.083 0.171 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -12.286 6.119 1.806 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -10.241 7.157 1.114 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -10.539 6.806 -0.577 1.00 1.99 H new ATOM 0 HE ARG A 72 -11.811 8.934 1.066 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -11.475 7.578 -2.259 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -12.373 8.915 -2.986 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -13.665 9.905 0.209 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -13.705 10.271 -1.519 1.00 3.75 H new ATOM 1174 N LEU A 73 -14.679 3.568 1.820 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.076 3.643 1.525 1.00 1.93 C ATOM 1176 C LEU A 73 -16.436 5.082 1.381 1.00 2.13 C ATOM 1177 O LEU A 73 -16.500 5.780 2.391 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.029 3.143 2.625 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.101 1.626 2.870 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.030 1.357 4.066 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.470 0.761 1.653 1.00 3.14 C ATOM 0 H LEU A 73 -14.442 3.672 2.807 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.200 3.014 0.643 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -16.741 3.621 3.561 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -18.033 3.492 2.384 1.00 2.23 H new ATOM 0 HG LEU A 73 -16.082 1.308 3.091 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -18.088 0.284 4.248 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -17.636 1.854 4.952 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.026 1.742 3.847 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -17.490 -0.289 1.945 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.453 1.054 1.283 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.729 0.904 0.867 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.794 5.553 0.173 1.00 2.32 N ATOM 1194 CA ARG A 74 -17.226 6.879 -0.145 1.00 2.55 C ATOM 1195 C ARG A 74 -18.497 7.356 0.469 1.00 2.58 C ATOM 1196 O ARG A 74 -19.298 6.560 0.955 1.00 3.08 O ATOM 1197 CB ARG A 74 -17.094 7.195 -1.645 1.00 3.29 C ATOM 1198 CG ARG A 74 -18.141 6.398 -2.425 1.00 4.01 C ATOM 1199 CD ARG A 74 -18.033 6.537 -3.945 1.00 4.67 C ATOM 1200 NE ARG A 74 -18.263 7.976 -4.258 1.00 5.36 N ATOM 1201 CZ ARG A 74 -17.723 8.717 -5.269 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -16.641 8.284 -5.979 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -18.157 9.987 -5.522 1.00 6.80 N ATOM 0 H ARG A 74 -16.779 4.953 -0.651 1.00 2.32 H new ATOM 0 HA ARG A 74 -16.504 7.502 0.383 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -17.231 8.263 -1.817 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -16.093 6.942 -1.995 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -18.050 5.344 -2.161 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -19.134 6.721 -2.112 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -17.052 6.216 -4.295 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -18.770 5.909 -4.445 1.00 4.67 H new ATOM 0 HE ARG A 74 -18.905 8.469 -3.638 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -16.214 7.384 -5.759 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -16.260 8.860 -6.729 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -18.896 10.397 -4.951 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -17.742 10.526 -6.282 1.00 6.80 H new ATOM 1217 N GLY A 75 -18.702 8.686 0.493 1.00 2.73 N ATOM 1218 CA GLY A 75 -19.761 9.327 1.209 1.00 3.22 C ATOM 1219 C GLY A 75 -20.279 10.493 0.441 1.00 3.16 C ATOM 1220 O GLY A 75 -20.504 11.537 1.052 1.00 3.57 O ATOM 0 H GLY A 75 -18.103 9.342 -0.008 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -20.567 8.616 1.390 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -19.401 9.657 2.184 1.00 3.22 H new ATOM 1224 N GLY A 76 -20.289 10.338 -0.895 1.00 3.14 N ATOM 1225 CA GLY A 76 -20.654 11.382 -1.801 1.00 3.37 C ATOM 1226 C GLY A 76 -20.229 11.068 -3.229 1.00 3.48 C ATOM 1227 O GLY A 76 -19.745 11.918 -4.022 1.00 3.87 O ATOM 1228 OXT GLY A 76 -20.409 9.850 -3.494 1.00 3.70 O ATOM 0 H GLY A 76 -20.037 9.464 -1.357 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -21.733 11.531 -1.768 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -20.193 12.317 -1.482 1.00 3.37 H new TER 1232 GLY A 76