USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 25 ASN : amide:sc= 0.159 K(o=1.5,f=-1.6) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -133:sc= 1.38 (180deg=0.315) USER MOD Set 2.1: A 7 THR OG1 : rot 123:sc= 0.75 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0696 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -129:sc= 0.333 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.319 USER MOD Single : A 1 MET CE :methyl 176:sc= -0.923 (180deg=-1.06) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.11 (180deg=1.06) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 1.13 (180deg=0.16!) USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.0805 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 1.41 (180deg=1.11) USER MOD Single : A 31 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.53) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.454 K(o=-0.45,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= 0.625 K(o=0.63,f=-3.6!) 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 55 THR OG1 : rot -52:sc= 1.15 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= 1.08 (180deg=1.08) USER MOD Single : A 65 SER OG : rot 86:sc= 0.829 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 12.745 -5.108 -4.287 1.00 0.78 N ATOM 2 CA MET A 1 12.387 -4.925 -2.862 1.00 0.70 C ATOM 3 C MET A 1 11.041 -5.507 -2.594 1.00 0.62 C ATOM 4 O MET A 1 9.984 -5.351 -3.201 1.00 0.68 O ATOM 5 CB MET A 1 12.436 -3.438 -2.472 1.00 0.75 C ATOM 6 CG MET A 1 12.380 -3.319 -0.947 1.00 0.79 C ATOM 7 SD MET A 1 12.457 -1.635 -0.267 1.00 1.10 S ATOM 8 CE MET A 1 11.043 -0.878 -1.119 1.00 0.84 C ATOM 0 H1 MET A 1 13.734 -4.824 -4.436 1.00 0.78 H new ATOM 0 H2 MET A 1 12.629 -6.108 -4.548 1.00 0.78 H new ATOM 0 H3 MET A 1 12.123 -4.521 -4.879 1.00 0.78 H new ATOM 0 HA MET A 1 13.118 -5.451 -2.248 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.349 -2.979 -2.852 1.00 0.75 H new ATOM 0 HB3 MET A 1 11.600 -2.903 -2.922 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.458 -3.786 -0.601 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.205 -3.895 -0.528 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.905 0.142 -0.759 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.231 -0.862 -2.193 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.143 -1.459 -0.917 1.00 0.84 H new ATOM 20 N GLN A 2 10.975 -6.384 -1.575 1.00 0.59 N ATOM 21 CA GLN A 2 9.852 -7.152 -1.135 1.00 0.56 C ATOM 22 C GLN A 2 9.131 -6.436 -0.045 1.00 0.50 C ATOM 23 O GLN A 2 9.598 -6.219 1.072 1.00 0.60 O ATOM 24 CB GLN A 2 10.105 -8.637 -0.823 1.00 0.71 C ATOM 25 CG GLN A 2 8.870 -9.520 -1.011 1.00 1.15 C ATOM 26 CD GLN A 2 9.296 -10.977 -0.920 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.719 -11.385 0.161 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.227 -11.716 -2.061 1.00 1.72 N ATOM 0 H GLN A 2 11.797 -6.572 -1.001 1.00 0.59 H new ATOM 0 HA GLN A 2 9.203 -7.225 -2.008 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.905 -9.004 -1.466 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.455 -8.729 0.205 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.125 -9.295 -0.248 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.406 -9.321 -1.977 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.862 -11.299 -2.917 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.541 -12.687 -2.060 1.00 1.72 H new ATOM 37 N ILE A 3 7.896 -6.032 -0.391 1.00 0.44 N ATOM 38 CA ILE A 3 6.998 -5.516 0.595 1.00 0.42 C ATOM 39 C ILE A 3 5.798 -6.400 0.601 1.00 0.40 C ATOM 40 O ILE A 3 5.597 -7.285 -0.230 1.00 0.50 O ATOM 41 CB ILE A 3 6.613 -4.075 0.441 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.878 -3.770 -0.875 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.840 -3.162 0.602 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.009 -2.513 -0.867 1.00 0.72 C ATOM 0 H ILE A 3 7.523 -6.061 -1.340 1.00 0.44 H new ATOM 0 HA ILE A 3 7.524 -5.525 1.550 1.00 0.42 H new ATOM 0 HB ILE A 3 5.902 -3.867 1.240 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.617 -3.674 -1.670 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.249 -4.624 -1.126 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.537 -2.121 0.486 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.273 -3.306 1.592 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.581 -3.411 -0.158 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.537 -2.391 -1.842 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.240 -2.607 -0.100 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.630 -1.643 -0.653 1.00 0.72 H new ATOM 56 N PHE A 4 4.953 -6.221 1.632 1.00 0.37 N ATOM 57 CA PHE A 4 3.772 -7.014 1.783 1.00 0.38 C ATOM 58 C PHE A 4 2.709 -6.000 2.035 1.00 0.39 C ATOM 59 O PHE A 4 2.913 -4.897 2.538 1.00 0.60 O ATOM 60 CB PHE A 4 3.849 -8.058 2.909 1.00 0.45 C ATOM 61 CG PHE A 4 5.028 -8.949 2.717 1.00 0.51 C ATOM 62 CD1 PHE A 4 6.316 -8.640 3.090 1.00 1.30 C ATOM 63 CD2 PHE A 4 4.888 -10.156 2.073 1.00 1.16 C ATOM 64 CE1 PHE A 4 7.399 -9.476 2.954 1.00 1.40 C ATOM 65 CE2 PHE A 4 6.006 -10.912 1.807 1.00 1.23 C ATOM 66 CZ PHE A 4 7.251 -10.703 2.351 1.00 0.85 C ATOM 0 H PHE A 4 5.088 -5.524 2.364 1.00 0.37 H new ATOM 0 HA PHE A 4 3.592 -7.629 0.901 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.919 -7.556 3.874 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.936 -8.652 2.924 1.00 0.45 H new ATOM 0 HD1 PHE A 4 6.490 -7.666 3.523 1.00 1.30 H new ATOM 0 HD2 PHE A 4 3.910 -10.507 1.779 1.00 1.16 H new ATOM 0 HE1 PHE A 4 8.367 -9.169 3.321 1.00 1.40 H new ATOM 0 HE2 PHE A 4 5.897 -11.735 1.116 1.00 1.23 H new ATOM 0 HZ PHE A 4 8.042 -11.437 2.309 1.00 0.85 H new ATOM 76 N VAL A 5 1.451 -6.386 1.758 1.00 0.35 N ATOM 77 CA VAL A 5 0.240 -5.632 1.865 1.00 0.35 C ATOM 78 C VAL A 5 -0.656 -6.592 2.569 1.00 0.35 C ATOM 79 O VAL A 5 -0.855 -7.715 2.108 1.00 0.46 O ATOM 80 CB VAL A 5 -0.393 -5.129 0.602 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.843 -4.629 0.715 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.564 -4.001 0.181 1.00 0.56 C ATOM 0 H VAL A 5 1.265 -7.331 1.422 1.00 0.35 H new ATOM 0 HA VAL A 5 0.440 -4.686 2.368 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.507 -5.940 -0.118 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -2.189 -4.292 -0.262 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.481 -5.440 1.066 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.888 -3.800 1.422 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.206 -3.546 -0.743 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.603 -3.245 0.966 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.561 -4.411 0.021 1.00 0.56 H new ATOM 92 N LYS A 6 -1.290 -6.149 3.670 1.00 0.36 N ATOM 93 CA LYS A 6 -2.194 -6.953 4.431 1.00 0.39 C ATOM 94 C LYS A 6 -3.533 -6.298 4.423 1.00 0.46 C ATOM 95 O LYS A 6 -3.727 -5.181 4.900 1.00 0.53 O ATOM 96 CB LYS A 6 -1.709 -7.107 5.883 1.00 0.54 C ATOM 97 CG LYS A 6 -2.383 -8.142 6.785 1.00 1.22 C ATOM 98 CD LYS A 6 -1.917 -9.577 6.525 1.00 1.37 C ATOM 99 CE LYS A 6 -2.411 -10.661 7.484 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.913 -12.009 7.124 1.00 2.09 N ATOM 0 H LYS A 6 -1.170 -5.206 4.040 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.248 -7.946 3.984 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.645 -7.342 5.851 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.807 -6.135 6.367 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.186 -7.888 7.826 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.462 -8.088 6.643 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.224 -9.854 5.517 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.827 -9.585 6.540 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.091 -10.418 8.497 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -3.501 -10.669 7.487 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.711 -12.674 7.082 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.445 -11.970 6.196 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -1.232 -12.331 7.841 1.00 2.09 H new ATOM 114 N THR A 7 -4.510 -7.044 3.876 1.00 0.58 N ATOM 115 CA THR A 7 -5.844 -6.573 3.666 1.00 0.78 C ATOM 116 C THR A 7 -6.825 -6.478 4.784 1.00 0.94 C ATOM 117 O THR A 7 -6.473 -6.913 5.879 1.00 0.99 O ATOM 118 CB THR A 7 -6.532 -7.316 2.559 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.775 -8.686 2.839 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.596 -7.266 1.341 1.00 0.92 C ATOM 0 H THR A 7 -4.367 -8.006 3.570 1.00 0.58 H new ATOM 0 HA THR A 7 -5.593 -5.535 3.449 1.00 0.78 H new ATOM 0 HB THR A 7 -7.502 -6.843 2.405 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.735 -8.870 2.765 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.056 -7.796 0.507 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.421 -6.228 1.059 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.647 -7.739 1.592 1.00 0.92 H new ATOM 128 N LEU A 8 -8.043 -5.940 4.592 1.00 1.17 N ATOM 129 CA LEU A 8 -9.065 -6.053 5.586 1.00 1.39 C ATOM 130 C LEU A 8 -9.330 -7.438 6.070 1.00 1.44 C ATOM 131 O LEU A 8 -9.421 -7.852 7.224 1.00 1.60 O ATOM 132 CB LEU A 8 -10.354 -5.417 5.038 1.00 1.66 C ATOM 133 CG LEU A 8 -10.298 -3.886 4.894 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.590 -3.381 4.228 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.892 -3.183 6.200 1.00 2.43 C ATOM 0 H LEU A 8 -8.319 -5.429 3.753 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.700 -5.524 6.466 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.574 -5.853 4.064 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.182 -5.677 5.698 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.488 -3.609 4.219 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.548 -2.296 4.127 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.692 -3.833 3.241 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.447 -3.655 4.843 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.869 -2.105 6.041 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.616 -3.419 6.980 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.904 -3.526 6.506 1.00 2.43 H new ATOM 147 N THR A 9 -9.558 -8.303 5.065 1.00 1.41 N ATOM 148 CA THR A 9 -9.879 -9.688 5.218 1.00 1.51 C ATOM 149 C THR A 9 -8.757 -10.560 5.664 1.00 1.37 C ATOM 150 O THR A 9 -9.070 -11.629 6.188 1.00 1.62 O ATOM 151 CB THR A 9 -10.457 -10.240 3.950 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.613 -10.118 2.815 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.768 -9.550 3.537 1.00 2.08 C ATOM 0 H THR A 9 -9.515 -8.017 4.087 1.00 1.41 H new ATOM 0 HA THR A 9 -10.611 -9.706 6.026 1.00 1.51 H new ATOM 0 HB THR A 9 -10.605 -11.289 4.208 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.060 -10.502 2.032 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.137 -9.993 2.612 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.511 -9.680 4.324 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.586 -8.486 3.382 1.00 2.08 H new ATOM 161 N GLY A 10 -7.453 -10.292 5.470 1.00 1.18 N ATOM 162 CA GLY A 10 -6.392 -11.022 6.092 1.00 1.22 C ATOM 163 C GLY A 10 -5.514 -11.674 5.079 1.00 0.99 C ATOM 164 O GLY A 10 -4.693 -12.514 5.442 1.00 1.31 O ATOM 0 H GLY A 10 -7.126 -9.542 4.860 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.799 -10.349 6.711 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.809 -11.779 6.755 1.00 1.22 H new ATOM 168 N LYS A 11 -5.583 -11.176 3.831 1.00 0.73 N ATOM 169 CA LYS A 11 -4.881 -11.695 2.699 1.00 0.60 C ATOM 170 C LYS A 11 -3.582 -10.968 2.691 1.00 0.51 C ATOM 171 O LYS A 11 -3.527 -9.827 3.149 1.00 0.63 O ATOM 172 CB LYS A 11 -5.637 -11.478 1.377 1.00 0.75 C ATOM 173 CG LYS A 11 -4.997 -11.944 0.067 1.00 0.87 C ATOM 174 CD LYS A 11 -5.706 -11.553 -1.230 1.00 1.04 C ATOM 175 CE LYS A 11 -5.319 -12.284 -2.517 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.295 -12.001 -3.594 1.00 1.40 N ATOM 0 H LYS A 11 -6.160 -10.367 3.600 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.761 -12.776 2.778 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.603 -11.975 1.466 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.836 -10.410 1.284 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.981 -11.552 0.029 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.919 -13.031 0.096 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.777 -11.691 -1.078 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.542 -10.487 -1.391 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.323 -11.974 -2.832 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.275 -13.357 -2.332 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.869 -12.223 -4.516 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -7.144 -12.585 -3.455 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.559 -10.995 -3.568 1.00 1.40 H new ATOM 190 N THR A 12 -2.464 -11.620 2.328 1.00 0.49 N ATOM 191 CA THR A 12 -1.206 -10.962 2.156 1.00 0.48 C ATOM 192 C THR A 12 -0.839 -10.937 0.713 1.00 0.52 C ATOM 193 O THR A 12 -0.707 -11.952 0.031 1.00 0.72 O ATOM 194 CB THR A 12 -0.147 -11.637 2.975 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.582 -11.882 4.304 1.00 0.77 O ATOM 196 CG2 THR A 12 1.031 -10.676 3.210 1.00 0.78 C ATOM 0 H THR A 12 -2.433 -12.624 2.150 1.00 0.49 H new ATOM 0 HA THR A 12 -1.290 -9.933 2.504 1.00 0.48 H new ATOM 0 HB THR A 12 0.102 -12.546 2.428 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.134 -12.324 4.806 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.795 -11.176 3.806 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.455 -10.379 2.251 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.679 -9.791 3.740 1.00 0.78 H new ATOM 204 N ILE A 13 -0.680 -9.721 0.159 1.00 0.48 N ATOM 205 CA ILE A 13 -0.244 -9.633 -1.200 1.00 0.55 C ATOM 206 C ILE A 13 1.221 -9.367 -1.244 1.00 0.51 C ATOM 207 O ILE A 13 1.785 -8.382 -0.770 1.00 0.56 O ATOM 208 CB ILE A 13 -0.830 -8.439 -1.893 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.329 -8.387 -1.548 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.769 -8.699 -3.408 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.928 -7.106 -2.125 1.00 1.55 C ATOM 0 H ILE A 13 -0.846 -8.831 0.630 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.540 -10.571 -1.671 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.300 -7.532 -1.602 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.840 -9.259 -1.957 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.468 -8.414 -0.467 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.189 -7.846 -3.941 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.268 -8.841 -3.711 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.343 -9.594 -3.647 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.990 -7.061 -1.885 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.422 -6.242 -1.695 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.800 -7.100 -3.207 1.00 1.55 H new ATOM 223 N THR A 14 1.980 -10.257 -1.909 1.00 0.55 N ATOM 224 CA THR A 14 3.395 -10.066 -1.986 1.00 0.54 C ATOM 225 C THR A 14 3.703 -9.284 -3.215 1.00 0.55 C ATOM 226 O THR A 14 3.265 -9.613 -4.317 1.00 0.72 O ATOM 227 CB THR A 14 4.319 -11.248 -1.990 1.00 0.67 C ATOM 228 OG1 THR A 14 4.030 -12.096 -0.888 1.00 1.08 O ATOM 229 CG2 THR A 14 5.794 -10.860 -1.792 1.00 1.03 C ATOM 0 H THR A 14 1.626 -11.088 -2.382 1.00 0.55 H new ATOM 0 HA THR A 14 3.600 -9.578 -1.033 1.00 0.54 H new ATOM 0 HB THR A 14 4.170 -11.722 -2.960 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.373 -11.691 -0.064 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.411 -11.758 -1.804 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.106 -10.194 -2.596 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.911 -10.352 -0.835 1.00 1.03 H new ATOM 237 N LEU A 15 4.355 -8.119 -3.046 1.00 0.50 N ATOM 238 CA LEU A 15 4.577 -7.229 -4.143 1.00 0.55 C ATOM 239 C LEU A 15 6.055 -7.145 -4.312 1.00 0.52 C ATOM 240 O LEU A 15 6.745 -7.536 -3.372 1.00 0.58 O ATOM 241 CB LEU A 15 3.959 -5.848 -3.865 1.00 0.69 C ATOM 242 CG LEU A 15 2.424 -5.925 -3.816 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.835 -5.236 -2.573 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.701 -5.297 -5.020 1.00 1.55 C ATOM 0 H LEU A 15 4.727 -7.795 -2.153 1.00 0.50 H new ATOM 0 HA LEU A 15 4.102 -7.591 -5.055 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.337 -5.462 -2.918 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.266 -5.147 -4.641 1.00 0.69 H new ATOM 0 HG LEU A 15 2.251 -7.001 -3.808 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.748 -5.321 -2.590 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.222 -5.715 -1.674 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.117 -4.183 -2.573 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.624 -5.402 -4.892 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.958 -4.240 -5.088 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.009 -5.804 -5.934 1.00 1.55 H new ATOM 256 N GLU A 16 6.582 -6.659 -5.450 1.00 0.59 N ATOM 257 CA GLU A 16 7.962 -6.341 -5.653 1.00 0.63 C ATOM 258 C GLU A 16 8.035 -4.899 -6.022 1.00 0.65 C ATOM 259 O GLU A 16 7.600 -4.457 -7.085 1.00 0.81 O ATOM 260 CB GLU A 16 8.556 -7.273 -6.722 1.00 0.76 C ATOM 261 CG GLU A 16 10.083 -7.229 -6.791 1.00 1.41 C ATOM 262 CD GLU A 16 10.555 -8.453 -7.564 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.488 -8.471 -8.822 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.140 -9.384 -6.949 1.00 1.95 O ATOM 0 H GLU A 16 6.012 -6.478 -6.276 1.00 0.59 H new ATOM 0 HA GLU A 16 8.557 -6.497 -4.753 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.239 -8.296 -6.517 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.148 -7.002 -7.696 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.416 -6.316 -7.284 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.510 -7.224 -5.788 1.00 1.41 H new ATOM 271 N VAL A 17 8.465 -4.049 -5.073 1.00 0.61 N ATOM 272 CA VAL A 17 8.578 -2.648 -5.337 1.00 0.63 C ATOM 273 C VAL A 17 10.046 -2.423 -5.455 1.00 0.65 C ATOM 274 O VAL A 17 10.867 -3.338 -5.440 1.00 0.76 O ATOM 275 CB VAL A 17 7.876 -1.800 -4.318 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.359 -2.035 -4.401 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.323 -2.205 -2.903 1.00 0.92 C ATOM 0 H VAL A 17 8.733 -4.329 -4.129 1.00 0.61 H new ATOM 0 HA VAL A 17 8.068 -2.342 -6.250 1.00 0.63 H new ATOM 0 HB VAL A 17 8.119 -0.756 -4.517 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.854 -1.417 -3.659 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.004 -1.770 -5.397 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.142 -3.085 -4.206 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.809 -1.585 -2.168 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.077 -3.253 -2.730 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.400 -2.064 -2.807 1.00 0.92 H new ATOM 287 N GLU A 18 10.475 -1.154 -5.587 1.00 0.68 N ATOM 288 CA GLU A 18 11.825 -0.711 -5.426 1.00 0.74 C ATOM 289 C GLU A 18 11.672 0.561 -4.664 1.00 0.71 C ATOM 290 O GLU A 18 10.570 1.101 -4.749 1.00 0.74 O ATOM 291 CB GLU A 18 12.595 -0.647 -6.755 1.00 0.88 C ATOM 292 CG GLU A 18 11.985 0.404 -7.687 1.00 1.16 C ATOM 293 CD GLU A 18 12.410 0.272 -9.142 1.00 1.71 C ATOM 294 OE1 GLU A 18 13.544 0.733 -9.439 1.00 2.33 O ATOM 295 OE2 GLU A 18 11.626 -0.217 -9.999 1.00 2.35 O ATOM 0 H GLU A 18 9.839 -0.392 -5.821 1.00 0.68 H new ATOM 0 HA GLU A 18 12.468 -1.400 -4.878 1.00 0.74 H new ATOM 0 HB2 GLU A 18 13.641 -0.407 -6.563 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.576 -1.624 -7.239 1.00 0.88 H new ATOM 0 HG2 GLU A 18 10.899 0.336 -7.630 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.262 1.395 -7.328 1.00 1.16 H new ATOM 302 N PRO A 19 12.562 1.114 -3.895 1.00 0.74 N ATOM 303 CA PRO A 19 12.243 2.268 -3.105 1.00 0.74 C ATOM 304 C PRO A 19 11.846 3.507 -3.831 1.00 0.70 C ATOM 305 O PRO A 19 11.474 4.451 -3.136 1.00 0.74 O ATOM 306 CB PRO A 19 13.481 2.499 -2.243 1.00 0.86 C ATOM 307 CG PRO A 19 14.072 1.099 -2.008 1.00 0.95 C ATOM 308 CD PRO A 19 13.746 0.455 -3.365 1.00 0.82 C ATOM 0 HA PRO A 19 11.333 2.056 -2.544 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.196 3.149 -2.746 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.221 2.980 -1.300 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.142 1.125 -1.803 1.00 0.95 H new ATOM 0 HG3 PRO A 19 13.600 0.580 -1.174 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.585 0.566 -4.052 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.568 -0.614 -3.248 1.00 0.82 H new ATOM 316 N SER A 20 12.017 3.612 -5.162 1.00 0.70 N ATOM 317 CA SER A 20 11.759 4.777 -5.951 1.00 0.74 C ATOM 318 C SER A 20 10.335 4.889 -6.377 1.00 0.71 C ATOM 319 O SER A 20 10.012 5.835 -7.092 1.00 0.80 O ATOM 320 CB SER A 20 12.752 4.920 -7.117 1.00 0.89 C ATOM 321 OG SER A 20 14.066 5.220 -6.669 1.00 1.45 O ATOM 0 H SER A 20 12.358 2.831 -5.723 1.00 0.70 H new ATOM 0 HA SER A 20 11.930 5.633 -5.299 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.769 3.995 -7.693 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.410 5.708 -7.789 1.00 0.89 H new ATOM 0 HG SER A 20 14.664 5.301 -7.441 1.00 1.45 H new ATOM 327 N ASP A 21 9.528 3.896 -5.965 1.00 0.70 N ATOM 328 CA ASP A 21 8.145 3.907 -6.329 1.00 0.73 C ATOM 329 C ASP A 21 7.358 4.748 -5.385 1.00 0.64 C ATOM 330 O ASP A 21 7.627 4.873 -4.190 1.00 0.66 O ATOM 331 CB ASP A 21 7.552 2.489 -6.386 1.00 0.87 C ATOM 332 CG ASP A 21 8.060 1.579 -7.495 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.855 2.054 -8.350 1.00 1.69 O ATOM 334 OD2 ASP A 21 7.810 0.345 -7.451 1.00 1.50 O ATOM 0 H ASP A 21 9.822 3.104 -5.394 1.00 0.70 H new ATOM 0 HA ASP A 21 8.083 4.336 -7.329 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.745 2.001 -5.431 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.470 2.577 -6.487 1.00 0.87 H new ATOM 339 N THR A 22 6.360 5.420 -5.986 1.00 0.63 N ATOM 340 CA THR A 22 5.458 6.256 -5.256 1.00 0.58 C ATOM 341 C THR A 22 4.358 5.441 -4.667 1.00 0.53 C ATOM 342 O THR A 22 4.117 4.320 -5.112 1.00 0.58 O ATOM 343 CB THR A 22 4.973 7.452 -6.019 1.00 0.63 C ATOM 344 OG1 THR A 22 4.229 7.155 -7.192 1.00 0.70 O ATOM 345 CG2 THR A 22 6.131 8.320 -6.541 1.00 0.75 C ATOM 0 H THR A 22 6.177 5.383 -6.989 1.00 0.63 H new ATOM 0 HA THR A 22 6.025 6.695 -4.435 1.00 0.58 H new ATOM 0 HB THR A 22 4.349 7.952 -5.278 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.952 7.990 -7.624 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.729 9.173 -7.087 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.727 8.675 -5.700 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.759 7.727 -7.206 1.00 0.75 H new ATOM 353 N ILE A 23 3.590 5.957 -3.692 1.00 0.51 N ATOM 354 CA ILE A 23 2.536 5.170 -3.128 1.00 0.48 C ATOM 355 C ILE A 23 1.450 4.952 -4.125 1.00 0.48 C ATOM 356 O ILE A 23 0.997 3.836 -4.375 1.00 0.51 O ATOM 357 CB ILE A 23 2.115 5.833 -1.850 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.201 5.899 -0.762 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.895 5.100 -1.265 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.264 4.801 -0.733 1.00 0.73 C ATOM 0 H ILE A 23 3.692 6.894 -3.301 1.00 0.51 H new ATOM 0 HA ILE A 23 2.862 4.161 -2.876 1.00 0.48 H new ATOM 0 HB ILE A 23 1.887 6.862 -2.127 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.714 6.856 -0.861 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.701 5.904 0.207 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.591 5.583 -0.337 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.072 5.136 -1.979 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.157 4.061 -1.064 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.956 4.986 0.088 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.783 3.833 -0.591 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.811 4.800 -1.676 1.00 0.73 H new ATOM 372 N GLU A 24 1.162 5.939 -4.992 1.00 0.50 N ATOM 373 CA GLU A 24 0.439 5.985 -6.225 1.00 0.53 C ATOM 374 C GLU A 24 0.835 4.856 -7.112 1.00 0.50 C ATOM 375 O GLU A 24 0.029 4.099 -7.652 1.00 0.55 O ATOM 376 CB GLU A 24 0.794 7.301 -6.939 1.00 0.64 C ATOM 377 CG GLU A 24 -0.195 7.537 -8.083 1.00 0.95 C ATOM 378 CD GLU A 24 0.308 8.751 -8.852 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.413 8.623 -9.443 1.00 1.56 O ATOM 380 OE2 GLU A 24 -0.438 9.766 -8.883 1.00 1.62 O ATOM 0 H GLU A 24 1.505 6.875 -4.778 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.628 5.916 -6.015 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.758 8.132 -6.234 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.812 7.255 -7.326 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.251 6.663 -8.732 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.199 7.712 -7.697 1.00 0.95 H new ATOM 387 N ASN A 25 2.151 4.653 -7.299 1.00 0.51 N ATOM 388 CA ASN A 25 2.607 3.636 -8.196 1.00 0.52 C ATOM 389 C ASN A 25 2.413 2.284 -7.603 1.00 0.47 C ATOM 390 O ASN A 25 1.920 1.389 -8.289 1.00 0.53 O ATOM 391 CB ASN A 25 4.090 3.900 -8.510 1.00 0.64 C ATOM 392 CG ASN A 25 4.587 3.112 -9.713 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.137 2.012 -9.686 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.345 3.780 -10.873 1.00 1.57 N ATOM 0 H ASN A 25 2.890 5.183 -6.837 1.00 0.51 H new ATOM 0 HA ASN A 25 2.028 3.665 -9.119 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.234 4.965 -8.694 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.693 3.643 -7.639 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.622 3.370 -11.765 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.886 4.691 -10.851 1.00 1.57 H new ATOM 401 N VAL A 26 2.693 2.079 -6.304 1.00 0.45 N ATOM 402 CA VAL A 26 2.320 0.839 -5.698 1.00 0.44 C ATOM 403 C VAL A 26 0.865 0.518 -5.670 1.00 0.40 C ATOM 404 O VAL A 26 0.455 -0.613 -5.924 1.00 0.44 O ATOM 405 CB VAL A 26 2.810 0.699 -4.287 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.543 -0.703 -3.715 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.303 1.038 -4.136 1.00 0.62 C ATOM 0 H VAL A 26 3.161 2.746 -5.691 1.00 0.45 H new ATOM 0 HA VAL A 26 2.809 0.136 -6.372 1.00 0.44 H new ATOM 0 HB VAL A 26 2.237 1.428 -3.714 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.915 -0.756 -2.692 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.471 -0.901 -3.722 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.053 -1.448 -4.325 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.600 0.919 -3.094 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.893 0.367 -4.760 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.475 2.069 -4.446 1.00 0.62 H new ATOM 417 N LYS A 27 -0.005 1.523 -5.463 1.00 0.40 N ATOM 418 CA LYS A 27 -1.412 1.326 -5.617 1.00 0.41 C ATOM 419 C LYS A 27 -1.912 0.827 -6.929 1.00 0.38 C ATOM 420 O LYS A 27 -2.663 -0.141 -7.038 1.00 0.42 O ATOM 421 CB LYS A 27 -2.156 2.623 -5.257 1.00 0.51 C ATOM 422 CG LYS A 27 -1.947 2.938 -3.775 1.00 0.76 C ATOM 423 CD LYS A 27 -2.469 4.353 -3.516 1.00 0.82 C ATOM 424 CE LYS A 27 -2.740 4.687 -2.048 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.450 5.966 -1.831 1.00 1.11 N ATOM 0 H LYS A 27 0.265 2.468 -5.190 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.622 0.504 -4.932 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.790 3.447 -5.870 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.220 2.516 -5.470 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.477 2.216 -3.153 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.891 2.868 -3.515 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -1.745 5.068 -3.907 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.391 4.492 -4.080 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.327 3.881 -1.607 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.790 4.718 -1.514 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.129 6.395 -0.940 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.248 6.614 -2.619 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.474 5.791 -1.781 1.00 1.11 H new ATOM 439 N ALA A 28 -1.278 1.279 -8.026 1.00 0.39 N ATOM 440 CA ALA A 28 -1.371 0.770 -9.358 1.00 0.39 C ATOM 441 C ALA A 28 -0.863 -0.629 -9.437 1.00 0.36 C ATOM 442 O ALA A 28 -1.403 -1.478 -10.146 1.00 0.42 O ATOM 443 CB ALA A 28 -0.634 1.741 -10.297 1.00 0.51 C ATOM 0 H ALA A 28 -0.642 2.075 -7.972 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.412 0.713 -9.674 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.692 1.372 -11.321 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.098 2.726 -10.239 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.411 1.815 -9.997 1.00 0.51 H new ATOM 449 N LYS A 29 0.174 -1.074 -8.706 1.00 0.39 N ATOM 450 CA LYS A 29 0.455 -2.476 -8.693 1.00 0.43 C ATOM 451 C LYS A 29 -0.557 -3.329 -8.008 1.00 0.44 C ATOM 452 O LYS A 29 -0.686 -4.530 -8.238 1.00 0.54 O ATOM 453 CB LYS A 29 1.800 -2.659 -7.970 1.00 0.54 C ATOM 454 CG LYS A 29 2.953 -1.881 -8.607 1.00 0.65 C ATOM 455 CD LYS A 29 4.271 -2.029 -7.846 1.00 1.08 C ATOM 456 CE LYS A 29 5.565 -2.046 -8.662 1.00 1.24 C ATOM 457 NZ LYS A 29 5.935 -0.722 -9.211 1.00 1.44 N ATOM 0 H LYS A 29 0.796 -0.491 -8.145 1.00 0.39 H new ATOM 0 HA LYS A 29 0.456 -2.803 -9.733 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.690 -2.343 -6.932 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.053 -3.719 -7.956 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.092 -2.224 -9.632 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.686 -0.825 -8.658 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.338 -1.211 -7.128 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.225 -2.954 -7.271 1.00 1.08 H new ATOM 0 HE2 LYS A 29 6.377 -2.409 -8.032 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.458 -2.754 -9.484 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.189 -0.821 -10.215 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.129 -0.071 -9.121 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.747 -0.342 -8.684 1.00 1.44 H new ATOM 471 N ILE A 30 -1.230 -2.744 -7.001 1.00 0.41 N ATOM 472 CA ILE A 30 -2.289 -3.452 -6.354 1.00 0.44 C ATOM 473 C ILE A 30 -3.410 -3.539 -7.332 1.00 0.45 C ATOM 474 O ILE A 30 -4.198 -4.482 -7.384 1.00 0.56 O ATOM 475 CB ILE A 30 -2.526 -2.934 -4.966 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.250 -3.078 -4.120 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.658 -3.822 -4.418 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.332 -2.159 -2.901 1.00 1.32 C ATOM 0 H ILE A 30 -1.048 -1.807 -6.643 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.065 -4.490 -6.110 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.789 -1.876 -4.946 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.130 -4.113 -3.800 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.375 -2.826 -4.719 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.901 -3.515 -3.401 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.540 -3.717 -5.049 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.335 -4.863 -4.416 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.426 -2.264 -2.304 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.431 -1.125 -3.231 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.198 -2.432 -2.297 1.00 1.32 H new ATOM 490 N GLN A 31 -3.507 -2.526 -8.211 1.00 0.41 N ATOM 491 CA GLN A 31 -4.498 -2.425 -9.238 1.00 0.48 C ATOM 492 C GLN A 31 -4.239 -3.466 -10.272 1.00 0.52 C ATOM 493 O GLN A 31 -5.186 -3.986 -10.860 1.00 0.66 O ATOM 494 CB GLN A 31 -4.663 -1.027 -9.856 1.00 0.52 C ATOM 495 CG GLN A 31 -5.982 -0.799 -10.598 1.00 0.70 C ATOM 496 CD GLN A 31 -5.896 0.507 -11.374 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.001 1.350 -11.413 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.981 0.738 -12.161 1.00 1.43 N ATOM 0 H GLN A 31 -2.861 -1.737 -8.205 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.461 -2.603 -8.758 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.576 -0.284 -9.064 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.839 -0.853 -10.548 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.180 -1.628 -11.277 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.810 -0.762 -9.890 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.755 0.074 -12.170 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.021 1.576 -12.742 1.00 1.43 H new ATOM 507 N ASP A 32 -2.930 -3.669 -10.511 1.00 0.50 N ATOM 508 CA ASP A 32 -2.473 -4.699 -11.391 1.00 0.60 C ATOM 509 C ASP A 32 -2.769 -6.023 -10.773 1.00 0.65 C ATOM 510 O ASP A 32 -3.459 -6.851 -11.365 1.00 0.81 O ATOM 511 CB ASP A 32 -0.993 -4.578 -11.786 1.00 0.67 C ATOM 512 CG ASP A 32 -0.475 -5.532 -12.853 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.097 -5.497 -13.948 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.532 -6.273 -12.689 1.00 1.55 O ATOM 0 H ASP A 32 -2.184 -3.115 -10.091 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.014 -4.591 -12.331 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.818 -3.559 -12.131 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.392 -4.718 -10.888 1.00 0.67 H new ATOM 519 N LYS A 33 -2.335 -6.315 -9.535 1.00 0.62 N ATOM 520 CA LYS A 33 -2.407 -7.635 -8.992 1.00 0.73 C ATOM 521 C LYS A 33 -3.814 -8.049 -8.726 1.00 0.69 C ATOM 522 O LYS A 33 -4.339 -9.052 -9.209 1.00 0.83 O ATOM 523 CB LYS A 33 -1.641 -7.664 -7.659 1.00 0.85 C ATOM 524 CG LYS A 33 -1.464 -8.998 -6.932 1.00 1.31 C ATOM 525 CD LYS A 33 -0.445 -9.952 -7.560 1.00 1.71 C ATOM 526 CE LYS A 33 0.363 -10.718 -6.510 1.00 2.26 C ATOM 527 NZ LYS A 33 1.613 -11.293 -7.055 1.00 2.62 N ATOM 0 H LYS A 33 -1.929 -5.626 -8.902 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.974 -8.321 -9.720 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.647 -7.255 -7.842 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.146 -6.981 -6.975 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.163 -8.796 -5.904 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.430 -9.501 -6.889 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.965 -10.662 -8.203 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.235 -9.385 -8.195 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.606 -10.048 -5.685 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -0.251 -11.519 -6.099 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.119 -11.800 -6.301 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.384 -11.955 -7.824 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.215 -10.529 -7.423 1.00 2.62 H new ATOM 541 N GLU A 34 -4.549 -7.235 -7.948 1.00 0.63 N ATOM 542 CA GLU A 34 -5.835 -7.582 -7.430 1.00 0.67 C ATOM 543 C GLU A 34 -6.944 -7.116 -8.310 1.00 0.69 C ATOM 544 O GLU A 34 -7.642 -7.893 -8.958 1.00 0.95 O ATOM 545 CB GLU A 34 -5.912 -7.040 -5.993 1.00 0.73 C ATOM 546 CG GLU A 34 -4.946 -7.786 -5.069 1.00 0.83 C ATOM 547 CD GLU A 34 -5.314 -9.228 -4.758 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.410 -9.489 -4.191 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.606 -10.149 -5.244 1.00 1.37 O ATOM 0 H GLU A 34 -4.238 -6.304 -7.670 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.961 -8.664 -7.408 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.675 -5.976 -5.989 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.930 -7.141 -5.617 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.955 -7.773 -5.523 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.874 -7.238 -4.130 1.00 0.83 H new ATOM 556 N GLY A 35 -7.028 -5.794 -8.541 1.00 0.63 N ATOM 557 CA GLY A 35 -7.968 -5.155 -9.408 1.00 0.68 C ATOM 558 C GLY A 35 -8.752 -4.200 -8.574 1.00 0.76 C ATOM 559 O GLY A 35 -9.974 -4.125 -8.694 1.00 1.12 O ATOM 0 H GLY A 35 -6.398 -5.129 -8.093 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.455 -4.631 -10.214 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.625 -5.890 -9.873 1.00 0.68 H new ATOM 563 N ILE A 36 -8.066 -3.413 -7.726 1.00 0.70 N ATOM 564 CA ILE A 36 -8.735 -2.516 -6.835 1.00 0.76 C ATOM 565 C ILE A 36 -8.236 -1.177 -7.260 1.00 0.71 C ATOM 566 O ILE A 36 -7.022 -1.123 -7.441 1.00 0.73 O ATOM 567 CB ILE A 36 -8.305 -2.759 -5.419 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.532 -4.190 -4.904 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.123 -1.835 -4.502 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.675 -4.367 -3.652 1.00 1.16 C ATOM 0 H ILE A 36 -7.048 -3.398 -7.657 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.819 -2.625 -6.871 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.231 -2.573 -5.405 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.585 -4.353 -4.674 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.255 -4.920 -5.665 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.826 -1.995 -3.466 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.940 -0.796 -4.775 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.184 -2.058 -4.614 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.811 -5.374 -3.257 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.626 -4.215 -3.905 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.976 -3.639 -2.899 1.00 1.16 H new ATOM 582 N PRO A 37 -9.042 -0.169 -7.414 1.00 0.75 N ATOM 583 CA PRO A 37 -8.537 1.092 -7.873 1.00 0.79 C ATOM 584 C PRO A 37 -7.773 1.900 -6.880 1.00 0.75 C ATOM 585 O PRO A 37 -8.090 1.714 -5.706 1.00 0.75 O ATOM 586 CB PRO A 37 -9.789 1.886 -8.240 1.00 0.95 C ATOM 587 CG PRO A 37 -10.879 0.868 -8.613 1.00 1.02 C ATOM 588 CD PRO A 37 -10.465 -0.290 -7.689 1.00 0.85 C ATOM 0 HA PRO A 37 -7.827 0.896 -8.676 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.111 2.505 -7.403 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.588 2.558 -9.075 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.884 1.234 -8.403 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.853 0.593 -9.667 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.035 -0.257 -6.761 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.680 -1.248 -8.162 1.00 0.85 H new ATOM 596 N PRO A 38 -6.848 2.736 -7.247 1.00 0.81 N ATOM 597 CA PRO A 38 -6.013 3.401 -6.289 1.00 0.85 C ATOM 598 C PRO A 38 -6.674 4.464 -5.481 1.00 0.89 C ATOM 599 O PRO A 38 -6.084 4.915 -4.501 1.00 0.99 O ATOM 600 CB PRO A 38 -4.891 3.980 -7.147 1.00 1.01 C ATOM 601 CG PRO A 38 -4.762 2.965 -8.294 1.00 1.25 C ATOM 602 CD PRO A 38 -6.238 2.632 -8.564 1.00 0.98 C ATOM 0 HA PRO A 38 -5.688 2.699 -5.521 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.140 4.975 -7.516 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.962 4.072 -6.585 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.270 3.392 -9.168 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.188 2.085 -8.003 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.686 3.330 -9.271 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.355 1.633 -8.984 1.00 0.98 H new ATOM 610 N ASP A 39 -7.872 4.960 -5.840 1.00 0.96 N ATOM 611 CA ASP A 39 -8.670 5.866 -5.073 1.00 1.11 C ATOM 612 C ASP A 39 -9.146 5.156 -3.853 1.00 1.00 C ATOM 613 O ASP A 39 -9.059 5.649 -2.729 1.00 1.14 O ATOM 614 CB ASP A 39 -9.593 6.670 -6.004 1.00 1.39 C ATOM 615 CG ASP A 39 -10.470 5.759 -6.852 1.00 1.73 C ATOM 616 OD1 ASP A 39 -11.455 5.257 -6.248 1.00 2.25 O ATOM 617 OD2 ASP A 39 -10.203 5.411 -8.033 1.00 2.23 O ATOM 0 H ASP A 39 -8.312 4.711 -6.726 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.152 6.707 -4.611 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.223 7.331 -5.409 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -8.991 7.304 -6.655 1.00 1.39 H new ATOM 622 N GLN A 40 -9.688 3.943 -4.066 1.00 0.87 N ATOM 623 CA GLN A 40 -10.254 3.128 -3.036 1.00 0.84 C ATOM 624 C GLN A 40 -9.246 2.593 -2.078 1.00 0.67 C ATOM 625 O GLN A 40 -9.680 2.177 -1.004 1.00 0.80 O ATOM 626 CB GLN A 40 -10.958 1.941 -3.716 1.00 0.95 C ATOM 627 CG GLN A 40 -12.176 2.279 -4.576 1.00 1.32 C ATOM 628 CD GLN A 40 -12.779 1.033 -5.210 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.710 -0.082 -4.698 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.558 1.326 -6.287 1.00 2.02 N ATOM 0 H GLN A 40 -9.734 3.514 -4.990 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.937 3.751 -2.459 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.230 1.424 -4.341 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.269 1.239 -2.943 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.928 2.776 -3.963 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.886 2.982 -5.357 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.570 2.273 -6.665 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.129 0.598 -6.716 1.00 2.02 H new ATOM 639 N GLN A 41 -7.948 2.611 -2.428 1.00 0.56 N ATOM 640 CA GLN A 41 -6.890 2.093 -1.618 1.00 0.51 C ATOM 641 C GLN A 41 -6.424 3.176 -0.706 1.00 0.49 C ATOM 642 O GLN A 41 -5.793 4.158 -1.090 1.00 0.65 O ATOM 643 CB GLN A 41 -5.715 1.567 -2.460 1.00 0.67 C ATOM 644 CG GLN A 41 -6.175 0.362 -3.284 1.00 0.69 C ATOM 645 CD GLN A 41 -4.937 -0.069 -4.056 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.824 -0.027 -3.534 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.162 -0.415 -5.352 1.00 0.61 N ATOM 0 H GLN A 41 -7.622 3.003 -3.312 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.272 1.246 -1.048 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.346 2.353 -3.120 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -4.887 1.282 -1.810 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.542 -0.440 -2.643 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -6.989 0.630 -3.958 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.114 -0.428 -5.718 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.379 -0.661 -5.957 1.00 0.61 H new ATOM 656 N ARG A 42 -6.730 2.973 0.589 1.00 0.47 N ATOM 657 CA ARG A 42 -6.207 3.784 1.643 1.00 0.55 C ATOM 658 C ARG A 42 -5.103 2.984 2.243 1.00 0.46 C ATOM 659 O ARG A 42 -5.293 1.922 2.835 1.00 0.52 O ATOM 660 CB ARG A 42 -7.236 4.043 2.756 1.00 0.73 C ATOM 661 CG ARG A 42 -8.572 4.596 2.258 1.00 1.04 C ATOM 662 CD ARG A 42 -9.486 5.214 3.319 1.00 1.28 C ATOM 663 NE ARG A 42 -10.471 6.082 2.617 1.00 1.69 N ATOM 664 CZ ARG A 42 -11.420 6.784 3.304 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.521 6.913 4.658 1.00 2.34 N ATOM 666 NH2 ARG A 42 -12.428 7.329 2.564 1.00 2.78 N ATOM 0 H ARG A 42 -7.353 2.231 0.909 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.903 4.751 1.241 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.418 3.111 3.291 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.810 4.744 3.473 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -8.368 5.352 1.499 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -9.115 3.789 1.766 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.997 4.435 3.884 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.904 5.796 4.033 1.00 1.28 H new ATOM 0 HE ARG A 42 -10.436 6.154 1.600 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.841 6.457 5.266 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.277 7.466 5.063 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -12.444 7.201 1.552 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -13.165 7.864 3.023 1.00 2.78 H new ATOM 680 N LEU A 43 -3.836 3.415 2.106 1.00 0.46 N ATOM 681 CA LEU A 43 -2.766 2.634 2.645 1.00 0.42 C ATOM 682 C LEU A 43 -2.174 3.273 3.855 1.00 0.43 C ATOM 683 O LEU A 43 -1.912 4.475 3.833 1.00 0.55 O ATOM 684 CB LEU A 43 -1.659 2.528 1.584 1.00 0.55 C ATOM 685 CG LEU A 43 -1.972 1.386 0.603 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.990 1.387 -0.581 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.925 0.011 1.293 1.00 1.12 C ATOM 0 H LEU A 43 -3.557 4.277 1.637 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.164 1.657 2.921 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.573 3.470 1.042 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.698 2.350 2.067 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.984 1.560 0.236 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.236 0.569 -1.258 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -1.065 2.334 -1.115 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.027 1.258 -0.210 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.152 -0.769 0.566 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.930 -0.155 1.705 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.660 -0.018 2.097 1.00 1.12 H new ATOM 699 N ILE A 44 -2.041 2.541 4.974 1.00 0.42 N ATOM 700 CA ILE A 44 -1.573 2.793 6.301 1.00 0.46 C ATOM 701 C ILE A 44 -0.259 2.099 6.405 1.00 0.42 C ATOM 702 O ILE A 44 -0.122 0.917 6.092 1.00 0.53 O ATOM 703 CB ILE A 44 -2.540 2.302 7.338 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.803 3.169 7.199 1.00 1.05 C ATOM 705 CG2 ILE A 44 -1.907 2.204 8.736 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.088 2.402 7.513 1.00 1.27 C ATOM 0 H ILE A 44 -2.327 1.563 4.923 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.474 3.863 6.486 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.835 1.265 7.178 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.725 4.026 7.868 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -3.859 3.561 6.183 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.650 1.844 9.447 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.067 1.511 8.707 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.555 3.188 9.046 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.945 3.066 7.398 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.186 1.560 6.827 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.050 2.033 8.538 1.00 1.27 H new ATOM 718 N PHE A 45 0.715 2.798 7.014 1.00 0.42 N ATOM 719 CA PHE A 45 2.027 2.348 7.367 1.00 0.46 C ATOM 720 C PHE A 45 2.393 3.115 8.590 1.00 0.68 C ATOM 721 O PHE A 45 2.523 4.337 8.549 1.00 1.50 O ATOM 722 CB PHE A 45 3.034 2.246 6.209 1.00 0.56 C ATOM 723 CG PHE A 45 4.391 1.924 6.732 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.661 0.593 6.941 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.342 2.873 7.028 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.811 0.148 7.549 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.379 2.461 7.832 1.00 1.33 C ATOM 728 CZ PHE A 45 6.620 1.128 8.073 1.00 1.02 C ATOM 0 H PHE A 45 0.568 3.771 7.284 1.00 0.42 H new ATOM 0 HA PHE A 45 2.050 1.287 7.615 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.715 1.475 5.507 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.062 3.186 5.659 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.936 -0.137 6.612 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.278 3.883 6.651 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.062 -0.901 7.611 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.020 3.202 8.286 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.463 0.846 8.687 1.00 1.02 H new ATOM 738 N ALA A 46 2.553 2.430 9.737 1.00 0.81 N ATOM 739 CA ALA A 46 2.878 2.947 11.030 1.00 0.96 C ATOM 740 C ALA A 46 1.884 3.867 11.650 1.00 0.97 C ATOM 741 O ALA A 46 2.168 4.669 12.539 1.00 1.21 O ATOM 742 CB ALA A 46 4.249 3.641 11.084 1.00 1.20 C ATOM 0 H ALA A 46 2.444 1.416 9.758 1.00 0.81 H new ATOM 0 HA ALA A 46 2.882 2.029 11.618 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.431 4.009 12.094 1.00 1.20 H new ATOM 0 HB2 ALA A 46 5.028 2.929 10.811 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.261 4.477 10.385 1.00 1.20 H new ATOM 748 N GLY A 47 0.620 3.597 11.277 1.00 0.99 N ATOM 749 CA GLY A 47 -0.434 4.449 11.733 1.00 1.10 C ATOM 750 C GLY A 47 -0.544 5.695 10.922 1.00 1.03 C ATOM 751 O GLY A 47 -1.606 6.302 11.054 1.00 1.30 O ATOM 0 H GLY A 47 0.334 2.819 10.682 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.379 3.907 11.693 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.261 4.711 12.777 1.00 1.10 H new ATOM 755 N LYS A 48 0.421 5.966 10.026 1.00 0.98 N ATOM 756 CA LYS A 48 0.130 7.016 9.100 1.00 1.05 C ATOM 757 C LYS A 48 -0.490 6.556 7.827 1.00 0.84 C ATOM 758 O LYS A 48 -0.068 5.564 7.235 1.00 0.81 O ATOM 759 CB LYS A 48 1.305 7.920 8.691 1.00 1.42 C ATOM 760 CG LYS A 48 1.950 8.521 9.941 1.00 1.61 C ATOM 761 CD LYS A 48 3.141 9.400 9.556 1.00 1.87 C ATOM 762 CE LYS A 48 3.845 10.045 10.752 1.00 2.22 C ATOM 763 NZ LYS A 48 5.075 10.676 10.225 1.00 2.55 N ATOM 0 H LYS A 48 1.327 5.505 9.941 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.571 7.595 9.702 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.042 7.344 8.130 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.954 8.715 8.033 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.216 9.112 10.489 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.279 7.724 10.608 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.862 8.797 9.004 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.798 10.185 8.881 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.202 10.786 11.227 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.086 9.299 11.509 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.593 11.131 11.004 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.677 9.950 9.787 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.821 11.391 9.514 1.00 2.55 H new ATOM 777 N GLN A 49 -1.557 7.208 7.328 1.00 0.84 N ATOM 778 CA GLN A 49 -2.139 6.931 6.053 1.00 0.80 C ATOM 779 C GLN A 49 -1.432 7.726 5.009 1.00 0.72 C ATOM 780 O GLN A 49 -1.237 8.937 5.090 1.00 0.83 O ATOM 781 CB GLN A 49 -3.602 7.399 5.977 1.00 1.03 C ATOM 782 CG GLN A 49 -4.439 6.789 4.850 1.00 1.67 C ATOM 783 CD GLN A 49 -5.898 7.190 5.004 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.669 6.794 5.878 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.406 7.996 4.034 1.00 2.48 N ATOM 0 H GLN A 49 -2.031 7.956 7.833 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.066 5.854 5.904 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.086 7.172 6.927 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.612 8.483 5.865 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.062 7.125 3.884 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.349 5.703 4.867 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.800 8.345 3.292 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.393 8.251 4.048 1.00 2.48 H new ATOM 794 N LEU A 50 -0.891 7.043 3.984 1.00 0.69 N ATOM 795 CA LEU A 50 0.152 7.571 3.161 1.00 0.66 C ATOM 796 C LEU A 50 -0.375 8.527 2.147 1.00 0.72 C ATOM 797 O LEU A 50 -1.535 8.484 1.738 1.00 0.90 O ATOM 798 CB LEU A 50 0.952 6.389 2.587 1.00 0.65 C ATOM 799 CG LEU A 50 1.495 5.319 3.549 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.220 4.184 2.808 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.344 5.986 4.645 1.00 0.74 C ATOM 0 H LEU A 50 -1.185 6.102 3.721 1.00 0.69 H new ATOM 0 HA LEU A 50 0.842 8.179 3.747 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.317 5.885 1.859 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.800 6.800 2.040 1.00 0.65 H new ATOM 0 HG LEU A 50 0.656 4.830 4.044 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.585 3.453 3.530 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.528 3.699 2.119 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.061 4.594 2.249 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.726 5.224 5.324 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.179 6.515 4.187 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.729 6.692 5.202 1.00 0.74 H new ATOM 813 N GLU A 51 0.461 9.466 1.667 1.00 0.70 N ATOM 814 CA GLU A 51 0.097 10.348 0.603 1.00 0.76 C ATOM 815 C GLU A 51 0.492 9.769 -0.712 1.00 0.77 C ATOM 816 O GLU A 51 1.481 9.039 -0.737 1.00 1.23 O ATOM 817 CB GLU A 51 0.712 11.745 0.790 1.00 0.88 C ATOM 818 CG GLU A 51 0.001 12.423 1.963 1.00 1.35 C ATOM 819 CD GLU A 51 0.353 13.903 1.931 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.582 14.175 1.988 1.00 1.89 O ATOM 821 OE2 GLU A 51 -0.529 14.794 1.813 1.00 1.94 O ATOM 0 H GLU A 51 1.405 9.615 2.024 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.987 10.463 0.622 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.781 11.667 0.986 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.597 12.336 -0.118 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.078 12.286 1.886 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.313 11.977 2.907 1.00 1.35 H new ATOM 828 N ASP A 52 -0.190 10.044 -1.838 1.00 0.66 N ATOM 829 CA ASP A 52 0.079 9.391 -3.082 1.00 0.65 C ATOM 830 C ASP A 52 1.351 9.785 -3.751 1.00 0.60 C ATOM 831 O ASP A 52 2.087 8.956 -4.283 1.00 0.62 O ATOM 832 CB ASP A 52 -1.116 9.622 -4.022 1.00 0.81 C ATOM 833 CG ASP A 52 -2.443 9.148 -3.447 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.611 7.900 -3.465 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.223 9.981 -2.913 1.00 1.44 O ATOM 0 H ASP A 52 -0.942 10.732 -1.886 1.00 0.66 H new ATOM 0 HA ASP A 52 0.214 8.334 -2.851 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.188 10.685 -4.251 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.932 9.105 -4.964 1.00 0.81 H new ATOM 840 N GLY A 53 1.726 11.077 -3.766 1.00 0.68 N ATOM 841 CA GLY A 53 3.022 11.484 -4.209 1.00 0.73 C ATOM 842 C GLY A 53 4.190 11.523 -3.284 1.00 0.72 C ATOM 843 O GLY A 53 5.022 12.424 -3.366 1.00 0.97 O ATOM 0 H GLY A 53 1.125 11.845 -3.468 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.295 10.826 -5.034 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.914 12.486 -4.623 1.00 0.73 H new ATOM 847 N ARG A 54 4.459 10.518 -2.431 1.00 0.64 N ATOM 848 CA ARG A 54 5.619 10.266 -1.634 1.00 0.63 C ATOM 849 C ARG A 54 6.013 8.908 -2.105 1.00 0.59 C ATOM 850 O ARG A 54 5.284 7.951 -2.364 1.00 0.62 O ATOM 851 CB ARG A 54 5.221 10.280 -0.148 1.00 0.69 C ATOM 852 CG ARG A 54 4.641 11.567 0.441 1.00 0.82 C ATOM 853 CD ARG A 54 5.455 12.838 0.186 1.00 1.18 C ATOM 854 NE ARG A 54 4.804 13.946 0.939 1.00 1.50 N ATOM 855 CZ ARG A 54 4.338 15.024 0.244 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.829 15.422 -0.966 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.291 15.755 0.726 1.00 2.49 N ATOM 0 H ARG A 54 3.764 9.785 -2.285 1.00 0.64 H new ATOM 0 HA ARG A 54 6.426 10.993 -1.727 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.490 9.486 0.007 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.105 10.018 0.434 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.639 11.711 0.036 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.533 11.436 1.518 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.486 12.705 0.514 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.487 13.066 -0.880 1.00 1.18 H new ATOM 0 HE ARG A 54 4.708 13.900 1.953 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.590 14.903 -1.403 1.00 2.48 H new ATOM 0 HH12 ARG A 54 4.435 16.239 -1.433 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.853 15.497 1.610 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.947 16.560 0.202 1.00 2.49 H new ATOM 871 N THR A 55 7.337 8.682 -2.170 1.00 0.63 N ATOM 872 CA THR A 55 7.925 7.393 -2.366 1.00 0.61 C ATOM 873 C THR A 55 8.055 6.576 -1.127 1.00 0.59 C ATOM 874 O THR A 55 7.986 7.047 0.007 1.00 0.64 O ATOM 875 CB THR A 55 9.190 7.294 -3.165 1.00 0.68 C ATOM 876 OG1 THR A 55 10.220 8.036 -2.529 1.00 0.75 O ATOM 877 CG2 THR A 55 9.113 7.869 -4.590 1.00 0.76 C ATOM 0 H THR A 55 8.027 9.428 -2.082 1.00 0.63 H new ATOM 0 HA THR A 55 7.156 6.969 -3.011 1.00 0.61 H new ATOM 0 HB THR A 55 9.377 6.222 -3.226 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.901 8.943 -2.341 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.077 7.749 -5.083 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.347 7.338 -5.156 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.860 8.928 -4.542 1.00 0.76 H new ATOM 885 N LEU A 56 8.347 5.280 -1.335 1.00 0.58 N ATOM 886 CA LEU A 56 8.675 4.302 -0.343 1.00 0.59 C ATOM 887 C LEU A 56 9.863 4.771 0.425 1.00 0.64 C ATOM 888 O LEU A 56 9.804 4.754 1.653 1.00 0.70 O ATOM 889 CB LEU A 56 8.827 2.940 -1.041 1.00 0.60 C ATOM 890 CG LEU A 56 7.539 2.453 -1.725 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.698 1.141 -2.512 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.412 2.263 -0.697 1.00 1.03 C ATOM 0 H LEU A 56 8.354 4.884 -2.275 1.00 0.58 H new ATOM 0 HA LEU A 56 7.890 4.169 0.401 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.620 3.009 -1.785 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.142 2.198 -0.307 1.00 0.60 H new ATOM 0 HG LEU A 56 7.292 3.237 -2.441 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.743 0.869 -2.962 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.444 1.275 -3.295 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.019 0.348 -1.837 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.511 1.918 -1.204 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.716 1.524 0.044 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.208 3.212 -0.201 1.00 1.03 H new ATOM 904 N SER A 57 10.929 5.255 -0.237 1.00 0.68 N ATOM 905 CA SER A 57 12.158 5.791 0.261 1.00 0.75 C ATOM 906 C SER A 57 12.005 6.939 1.198 1.00 0.76 C ATOM 907 O SER A 57 12.508 7.016 2.317 1.00 0.84 O ATOM 908 CB SER A 57 13.243 6.154 -0.768 1.00 0.84 C ATOM 909 OG SER A 57 14.496 6.415 -0.153 1.00 1.19 O ATOM 0 H SER A 57 10.923 5.270 -1.257 1.00 0.68 H new ATOM 0 HA SER A 57 12.515 4.913 0.800 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.353 5.337 -1.482 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.927 7.031 -1.333 1.00 0.84 H new ATOM 0 HG SER A 57 15.157 6.640 -0.840 1.00 1.19 H new ATOM 915 N ASP A 58 11.043 7.842 0.934 1.00 0.75 N ATOM 916 CA ASP A 58 10.606 8.938 1.741 1.00 0.78 C ATOM 917 C ASP A 58 9.994 8.560 3.045 1.00 0.77 C ATOM 918 O ASP A 58 10.532 8.859 4.110 1.00 0.86 O ATOM 919 CB ASP A 58 9.723 9.938 0.975 1.00 0.83 C ATOM 920 CG ASP A 58 10.202 10.352 -0.409 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.340 10.874 -0.546 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.392 10.212 -1.365 1.00 1.86 O ATOM 0 H ASP A 58 10.518 7.796 0.061 1.00 0.75 H new ATOM 0 HA ASP A 58 11.536 9.445 1.997 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.727 9.506 0.875 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.621 10.837 1.583 1.00 0.83 H new ATOM 927 N TYR A 59 8.874 7.815 3.050 1.00 0.72 N ATOM 928 CA TYR A 59 8.373 7.275 4.276 1.00 0.73 C ATOM 929 C TYR A 59 9.244 6.273 4.953 1.00 0.76 C ATOM 930 O TYR A 59 8.991 5.783 6.053 1.00 0.89 O ATOM 931 CB TYR A 59 6.949 6.698 4.233 1.00 0.73 C ATOM 932 CG TYR A 59 5.920 7.761 4.049 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.519 8.357 5.221 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.290 8.034 2.859 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.532 9.312 5.166 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.210 8.885 2.853 1.00 0.70 C ATOM 937 CZ TYR A 59 3.827 9.529 4.006 1.00 0.74 C ATOM 938 OH TYR A 59 2.694 10.365 3.907 1.00 0.86 O ATOM 0 H TYR A 59 8.324 7.589 2.221 1.00 0.72 H new ATOM 0 HA TYR A 59 8.362 8.192 4.865 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.875 5.977 3.419 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.749 6.157 5.158 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.969 8.081 6.163 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.639 7.586 1.940 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.308 9.899 6.044 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.660 9.048 1.938 1.00 0.70 H new ATOM 0 HH TYR A 59 2.808 10.982 3.154 1.00 0.86 H new ATOM 948 N ASN A 60 10.377 5.890 4.337 1.00 0.74 N ATOM 949 CA ASN A 60 11.209 4.867 4.889 1.00 0.79 C ATOM 950 C ASN A 60 10.550 3.530 4.891 1.00 0.75 C ATOM 951 O ASN A 60 10.638 2.789 5.868 1.00 0.86 O ATOM 952 CB ASN A 60 11.882 5.170 6.239 1.00 0.95 C ATOM 953 CG ASN A 60 12.821 6.352 6.045 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.795 6.289 5.296 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.485 7.556 6.581 1.00 1.83 N ATOM 0 H ASN A 60 10.716 6.287 3.461 1.00 0.74 H new ATOM 0 HA ASN A 60 12.044 4.845 4.188 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.131 5.400 6.995 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.434 4.299 6.593 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.037 8.385 6.360 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.681 7.630 7.204 1.00 1.83 H new ATOM 962 N ILE A 61 9.791 3.137 3.852 1.00 0.67 N ATOM 963 CA ILE A 61 9.201 1.841 3.722 1.00 0.65 C ATOM 964 C ILE A 61 10.257 1.017 3.069 1.00 0.66 C ATOM 965 O ILE A 61 10.568 1.233 1.899 1.00 0.75 O ATOM 966 CB ILE A 61 7.978 1.893 2.855 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.772 2.613 3.481 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.615 0.479 2.373 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.796 3.217 2.471 1.00 0.82 C ATOM 0 H ILE A 61 9.579 3.752 3.066 1.00 0.67 H new ATOM 0 HA ILE A 61 8.883 1.438 4.683 1.00 0.65 H new ATOM 0 HB ILE A 61 8.240 2.514 1.998 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.231 1.907 4.111 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.138 3.407 4.132 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.726 0.526 1.744 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.444 0.066 1.799 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.417 -0.159 3.234 1.00 0.72 H new ATOM 0 HD11 ILE A 61 4.978 3.704 3.002 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.317 3.951 1.856 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.396 2.428 1.834 1.00 0.82 H new ATOM 981 N GLN A 62 10.905 0.188 3.907 1.00 0.67 N ATOM 982 CA GLN A 62 12.055 -0.602 3.595 1.00 0.70 C ATOM 983 C GLN A 62 11.650 -2.010 3.321 1.00 0.62 C ATOM 984 O GLN A 62 10.465 -2.340 3.316 1.00 0.64 O ATOM 985 CB GLN A 62 13.221 -0.543 4.596 1.00 0.85 C ATOM 986 CG GLN A 62 13.358 0.843 5.230 1.00 1.27 C ATOM 987 CD GLN A 62 14.513 0.964 6.214 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.040 2.071 6.326 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.790 -0.079 7.040 1.00 2.16 N ATOM 0 H GLN A 62 10.602 0.062 4.873 1.00 0.67 H new ATOM 0 HA GLN A 62 12.470 -0.140 2.700 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.066 -1.286 5.378 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.149 -0.803 4.088 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.490 1.581 4.439 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.429 1.089 5.744 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.324 -0.976 6.903 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.464 0.035 7.797 1.00 2.16 H new ATOM 998 N LYS A 63 12.617 -2.933 3.161 1.00 0.64 N ATOM 999 CA LYS A 63 12.362 -4.325 2.948 1.00 0.62 C ATOM 1000 C LYS A 63 11.582 -4.933 4.062 1.00 0.59 C ATOM 1001 O LYS A 63 11.672 -4.686 5.264 1.00 0.66 O ATOM 1002 CB LYS A 63 13.677 -5.100 2.761 1.00 0.74 C ATOM 1003 CG LYS A 63 14.544 -5.259 4.012 1.00 0.89 C ATOM 1004 CD LYS A 63 15.549 -6.385 3.769 1.00 1.11 C ATOM 1005 CE LYS A 63 16.202 -6.768 5.098 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.285 -7.467 6.025 1.00 2.12 N ATOM 0 H LYS A 63 13.610 -2.702 3.181 1.00 0.64 H new ATOM 0 HA LYS A 63 11.764 -4.396 2.039 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.440 -6.093 2.379 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.267 -4.596 1.995 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.065 -4.327 4.232 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.922 -5.488 4.877 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.047 -7.249 3.334 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.308 -6.064 3.056 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.063 -7.407 4.900 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.578 -5.867 5.582 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.838 -7.947 6.764 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.644 -6.777 6.465 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.728 -8.170 5.498 1.00 2.12 H new ATOM 1020 N GLU A 64 10.680 -5.793 3.556 1.00 0.57 N ATOM 1021 CA GLU A 64 9.751 -6.685 4.178 1.00 0.58 C ATOM 1022 C GLU A 64 8.700 -5.956 4.942 1.00 0.56 C ATOM 1023 O GLU A 64 8.232 -6.462 5.962 1.00 0.70 O ATOM 1024 CB GLU A 64 10.530 -7.651 5.087 1.00 0.72 C ATOM 1025 CG GLU A 64 11.553 -8.545 4.381 1.00 0.96 C ATOM 1026 CD GLU A 64 12.508 -9.217 5.358 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.103 -9.585 6.493 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.703 -9.256 4.959 1.00 1.69 O ATOM 0 H GLU A 64 10.595 -5.869 2.542 1.00 0.57 H new ATOM 0 HA GLU A 64 9.229 -7.247 3.403 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.048 -7.067 5.848 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.815 -8.288 5.607 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.029 -9.308 3.806 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.125 -7.948 3.671 1.00 0.96 H new ATOM 1035 N SER A 65 8.189 -4.792 4.502 1.00 0.51 N ATOM 1036 CA SER A 65 7.325 -4.002 5.324 1.00 0.51 C ATOM 1037 C SER A 65 5.900 -4.405 5.161 1.00 0.43 C ATOM 1038 O SER A 65 5.669 -5.062 4.147 1.00 0.50 O ATOM 1039 CB SER A 65 7.363 -2.534 4.865 1.00 0.65 C ATOM 1040 OG SER A 65 8.483 -1.780 5.305 1.00 1.04 O ATOM 0 H SER A 65 8.373 -4.398 3.579 1.00 0.51 H new ATOM 0 HA SER A 65 7.667 -4.139 6.350 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.339 -2.512 3.775 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.456 -2.040 5.214 1.00 0.65 H new ATOM 0 HG SER A 65 9.228 -1.908 4.682 1.00 1.04 H new ATOM 1046 N THR A 66 4.936 -4.133 6.058 1.00 0.45 N ATOM 1047 CA THR A 66 3.563 -4.413 5.777 1.00 0.45 C ATOM 1048 C THR A 66 2.834 -3.122 5.630 1.00 0.43 C ATOM 1049 O THR A 66 2.585 -2.479 6.648 1.00 0.58 O ATOM 1050 CB THR A 66 2.834 -5.111 6.888 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.305 -6.431 7.115 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.361 -5.259 6.471 1.00 0.78 C ATOM 0 H THR A 66 5.107 -3.720 6.975 1.00 0.45 H new ATOM 0 HA THR A 66 3.578 -5.046 4.889 1.00 0.45 H new ATOM 0 HB THR A 66 2.983 -4.517 7.790 1.00 0.61 H new ATOM 0 HG1 THR A 66 2.798 -6.838 7.848 1.00 0.79 H new ATOM 0 HG21 THR A 66 0.808 -5.764 7.263 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.930 -4.272 6.300 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.300 -5.845 5.554 1.00 0.78 H new ATOM 1060 N LEU A 67 2.349 -2.828 4.410 1.00 0.38 N ATOM 1061 CA LEU A 67 1.419 -1.744 4.359 1.00 0.38 C ATOM 1062 C LEU A 67 0.061 -2.314 4.583 1.00 0.37 C ATOM 1063 O LEU A 67 -0.262 -3.424 4.161 1.00 0.50 O ATOM 1064 CB LEU A 67 1.307 -1.032 3.000 1.00 0.46 C ATOM 1065 CG LEU A 67 2.652 -0.732 2.315 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.561 0.013 0.973 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.804 -0.129 3.136 1.00 1.31 C ATOM 0 H LEU A 67 2.574 -3.293 3.530 1.00 0.38 H new ATOM 0 HA LEU A 67 1.773 -1.025 5.098 1.00 0.38 H new ATOM 0 HB2 LEU A 67 0.705 -1.647 2.332 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.770 -0.094 3.140 1.00 0.46 H new ATOM 0 HG LEU A 67 2.933 -1.773 2.153 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.564 0.173 0.577 1.00 1.40 H new ATOM 0 HD12 LEU A 67 1.982 -0.581 0.266 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.072 0.976 1.124 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.672 0.015 2.493 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.494 0.831 3.548 1.00 1.31 H new ATOM 0 HD23 LEU A 67 4.064 -0.806 3.950 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.785 -1.708 5.435 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.054 -2.168 5.907 1.00 0.37 C ATOM 1081 C HIS A 68 -3.124 -1.465 5.144 1.00 0.35 C ATOM 1082 O HIS A 68 -3.107 -0.236 5.095 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.334 -1.920 7.399 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.522 -2.708 8.382 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.193 -2.452 8.657 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.804 -3.828 9.100 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.231 -3.452 9.475 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.739 -4.260 9.863 1.00 1.51 N ATOM 0 H HIS A 68 -0.552 -0.799 5.834 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.040 -3.248 5.762 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.177 -0.861 7.602 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.388 -2.128 7.585 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.761 -4.327 9.075 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.260 -3.574 9.778 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.708 -5.012 10.551 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.926 -2.127 4.293 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.917 -1.628 3.390 1.00 0.38 C ATOM 1098 C LEU A 69 -6.336 -1.533 3.835 1.00 0.41 C ATOM 1099 O LEU A 69 -6.892 -2.547 4.255 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.811 -2.580 2.188 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.767 -2.376 1.000 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.675 -0.952 0.428 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.497 -3.449 -0.068 1.00 1.14 C ATOM 0 H LEU A 69 -3.869 -3.144 4.233 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.695 -0.575 3.218 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.792 -2.519 1.807 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.953 -3.596 2.557 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.792 -2.491 1.352 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.366 -0.851 -0.409 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.935 -0.231 1.203 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.658 -0.763 0.084 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.175 -3.304 -0.909 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.467 -3.367 -0.414 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.658 -4.438 0.361 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.907 -0.316 3.875 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.301 -0.142 4.145 1.00 0.56 C ATOM 1117 C VAL A 70 -8.875 0.008 2.778 1.00 0.55 C ATOM 1118 O VAL A 70 -8.476 0.861 1.987 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.693 0.993 5.043 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -10.186 1.359 5.092 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -8.042 0.936 6.435 1.00 0.97 C ATOM 0 H VAL A 70 -6.399 0.554 3.719 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.676 -0.985 4.726 1.00 0.56 H new ATOM 0 HB VAL A 70 -8.255 1.846 4.524 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -10.334 2.194 5.777 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.524 1.643 4.095 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.760 0.500 5.438 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -8.373 1.789 7.027 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -8.333 0.012 6.935 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.957 0.966 6.331 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.867 -0.796 2.356 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.604 -0.634 1.142 1.00 0.84 C ATOM 1133 C LEU A 71 -11.762 0.269 1.394 1.00 0.85 C ATOM 1134 O LEU A 71 -12.481 0.094 2.377 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.181 -1.998 0.728 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.966 -1.961 -0.594 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.263 -1.265 -1.771 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -12.582 -3.304 -1.021 1.00 2.78 C ATOM 0 H LEU A 71 -10.172 -1.607 2.895 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.949 -0.228 0.371 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -10.365 -2.715 0.636 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.837 -2.361 1.520 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.797 -1.309 -0.325 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.907 -1.298 -2.650 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.058 -0.227 -1.510 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.325 -1.776 -1.989 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -13.115 -3.177 -1.963 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.791 -4.043 -1.148 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -13.278 -3.645 -0.254 1.00 2.78 H new