USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 732 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -1.95! K(o=-2!,f=-0.24) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 75:sc= 0.0449 USER MOD Single : A 25 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.42) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1.1) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.26) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 74:sc= 0.05 USER MOD Single : B 25 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.54) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.2) USER MOD Single : B 41 MET CE :methyl 178:sc= -1.04 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.402 -18.430 -19.394 1.00 0.77 N ATOM 2 CA GLY A 1 131.206 -18.570 -18.514 1.00 0.81 C ATOM 3 C GLY A 1 130.844 -17.277 -17.805 1.00 0.65 C ATOM 4 O GLY A 1 130.453 -16.300 -18.447 1.00 0.70 O ATOM 0 H1 GLY A 1 132.604 -19.341 -19.853 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.216 -17.710 -20.121 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.221 -18.141 -18.823 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.357 -18.901 -19.112 1.00 0.81 H new ATOM 0 HA3 GLY A 1 131.395 -19.346 -17.772 1.00 0.81 H new ATOM 10 N SER A 2 130.976 -17.271 -16.477 1.00 0.55 N ATOM 11 CA SER A 2 130.663 -16.086 -15.678 1.00 0.48 C ATOM 12 C SER A 2 131.908 -15.250 -15.422 1.00 0.47 C ATOM 13 O SER A 2 131.817 -14.026 -15.373 1.00 0.71 O ATOM 14 CB SER A 2 130.014 -16.484 -14.349 1.00 0.54 C ATOM 15 OG SER A 2 128.784 -17.157 -14.560 1.00 0.67 O ATOM 0 H SER A 2 131.297 -18.072 -15.934 1.00 0.55 H new ATOM 0 HA SER A 2 129.956 -15.482 -16.247 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.692 -17.128 -13.789 1.00 0.54 H new ATOM 0 HB3 SER A 2 129.845 -15.594 -13.743 1.00 0.54 H new ATOM 0 HG SER A 2 128.392 -17.401 -13.696 1.00 0.67 H new ATOM 21 N LEU A 3 133.067 -15.909 -15.280 1.00 0.38 N ATOM 22 CA LEU A 3 134.332 -15.203 -15.059 1.00 0.43 C ATOM 23 C LEU A 3 134.694 -14.410 -16.316 1.00 0.53 C ATOM 24 O LEU A 3 135.587 -14.786 -17.079 1.00 0.88 O ATOM 25 CB LEU A 3 135.455 -16.187 -14.692 1.00 0.48 C ATOM 26 CG LEU A 3 135.543 -17.448 -15.561 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.940 -17.606 -16.144 1.00 1.05 C ATOM 28 CD2 LEU A 3 135.165 -18.678 -14.749 1.00 1.42 C ATOM 0 H LEU A 3 133.152 -16.925 -15.314 1.00 0.38 H new ATOM 0 HA LEU A 3 134.214 -14.515 -14.222 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.408 -15.661 -14.750 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.322 -16.492 -13.654 1.00 0.48 H new ATOM 0 HG LEU A 3 134.839 -17.344 -16.386 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.979 -18.507 -16.757 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.178 -16.738 -16.759 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.665 -17.686 -15.334 1.00 1.05 H new ATOM 0 HD21 LEU A 3 135.232 -19.565 -15.379 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.847 -18.780 -13.905 1.00 1.42 H new ATOM 0 HD23 LEU A 3 134.145 -18.571 -14.380 1.00 1.42 H new ATOM 40 N THR A 4 133.949 -13.329 -16.535 1.00 0.41 N ATOM 41 CA THR A 4 134.111 -12.475 -17.701 1.00 0.49 C ATOM 42 C THR A 4 133.648 -11.046 -17.377 1.00 0.39 C ATOM 43 O THR A 4 133.614 -10.654 -16.211 1.00 0.39 O ATOM 44 CB THR A 4 133.318 -13.062 -18.887 1.00 0.65 C ATOM 45 OG1 THR A 4 132.251 -13.885 -18.435 1.00 0.64 O ATOM 46 CG2 THR A 4 134.175 -13.889 -19.825 1.00 0.80 C ATOM 0 H THR A 4 133.211 -13.022 -15.901 1.00 0.41 H new ATOM 0 HA THR A 4 135.164 -12.432 -17.978 1.00 0.49 H new ATOM 0 HB THR A 4 132.936 -12.198 -19.431 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.764 -14.243 -19.207 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.558 -14.273 -20.638 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.970 -13.266 -20.236 1.00 0.80 H new ATOM 0 HG23 THR A 4 134.614 -14.723 -19.277 1.00 0.80 H new ATOM 54 N TYR A 5 133.313 -10.276 -18.416 1.00 0.48 N ATOM 55 CA TYR A 5 132.863 -8.884 -18.269 1.00 0.46 C ATOM 56 C TYR A 5 131.991 -8.680 -17.020 1.00 0.42 C ATOM 57 O TYR A 5 132.315 -7.862 -16.160 1.00 0.47 O ATOM 58 CB TYR A 5 132.082 -8.448 -19.515 1.00 0.59 C ATOM 59 CG TYR A 5 131.883 -6.948 -19.620 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.907 -6.064 -19.300 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.665 -6.418 -20.029 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.722 -4.699 -19.380 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.474 -5.053 -20.116 1.00 0.90 C ATOM 64 CZ TYR A 5 131.505 -4.198 -19.789 1.00 0.65 C ATOM 65 OH TYR A 5 131.316 -2.836 -19.861 1.00 0.79 O ATOM 0 H TYR A 5 133.345 -10.597 -19.383 1.00 0.48 H new ATOM 0 HA TYR A 5 133.756 -8.270 -18.153 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.608 -8.798 -20.403 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.107 -8.935 -19.510 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.864 -6.452 -18.983 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.854 -7.085 -20.283 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.527 -4.026 -19.123 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.522 -4.657 -20.438 1.00 0.90 H new ATOM 0 HH TYR A 5 130.404 -2.648 -20.167 1.00 0.79 H new ATOM 75 N GLU A 6 130.880 -9.415 -16.941 1.00 0.48 N ATOM 76 CA GLU A 6 129.948 -9.309 -15.811 1.00 0.50 C ATOM 77 C GLU A 6 130.627 -9.587 -14.463 1.00 0.38 C ATOM 78 O GLU A 6 130.224 -9.036 -13.437 1.00 0.47 O ATOM 79 CB GLU A 6 128.770 -10.267 -16.014 1.00 0.60 C ATOM 80 CG GLU A 6 127.462 -9.749 -15.439 1.00 0.65 C ATOM 81 CD GLU A 6 126.332 -10.754 -15.552 1.00 0.82 C ATOM 82 OE1 GLU A 6 125.621 -10.735 -16.579 1.00 1.16 O ATOM 83 OE2 GLU A 6 126.154 -11.557 -14.611 1.00 0.99 O ATOM 0 H GLU A 6 130.601 -10.094 -17.649 1.00 0.48 H new ATOM 0 HA GLU A 6 129.588 -8.281 -15.783 1.00 0.50 H new ATOM 0 HB2 GLU A 6 128.641 -10.451 -17.081 1.00 0.60 H new ATOM 0 HB3 GLU A 6 129.007 -11.225 -15.551 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.609 -9.490 -14.390 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.180 -8.832 -15.957 1.00 0.65 H new ATOM 90 N GLU A 7 131.654 -10.438 -14.468 1.00 0.30 N ATOM 91 CA GLU A 7 132.382 -10.780 -13.242 1.00 0.29 C ATOM 92 C GLU A 7 133.299 -9.642 -12.784 1.00 0.28 C ATOM 93 O GLU A 7 133.709 -9.605 -11.622 1.00 0.46 O ATOM 94 CB GLU A 7 133.212 -12.046 -13.450 1.00 0.40 C ATOM 95 CG GLU A 7 133.382 -12.880 -12.191 1.00 0.56 C ATOM 96 CD GLU A 7 134.730 -12.666 -11.530 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.748 -13.107 -12.103 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.768 -12.055 -10.441 1.00 0.81 O ATOM 0 H GLU A 7 132.002 -10.904 -15.306 1.00 0.30 H new ATOM 0 HA GLU A 7 131.637 -10.951 -12.465 1.00 0.29 H new ATOM 0 HB2 GLU A 7 132.739 -12.657 -14.219 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.196 -11.767 -13.826 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.591 -12.630 -11.484 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.266 -13.935 -12.440 1.00 0.56 H new ATOM 105 N VAL A 8 133.614 -8.713 -13.689 1.00 0.34 N ATOM 106 CA VAL A 8 134.474 -7.583 -13.356 1.00 0.36 C ATOM 107 C VAL A 8 133.657 -6.413 -12.792 1.00 0.28 C ATOM 108 O VAL A 8 134.165 -5.632 -11.985 1.00 0.39 O ATOM 109 CB VAL A 8 135.307 -7.120 -14.579 1.00 0.54 C ATOM 110 CG1 VAL A 8 134.545 -6.112 -15.429 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.643 -6.546 -14.126 1.00 0.77 C ATOM 0 H VAL A 8 133.286 -8.723 -14.655 1.00 0.34 H new ATOM 0 HA VAL A 8 135.167 -7.922 -12.586 1.00 0.36 H new ATOM 0 HB VAL A 8 135.496 -7.994 -15.202 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.161 -5.811 -16.276 1.00 0.46 H new ATOM 0 HG12 VAL A 8 133.624 -6.566 -15.793 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.304 -5.236 -14.826 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.215 -6.226 -14.997 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.469 -5.692 -13.472 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.202 -7.309 -13.585 1.00 0.77 H new ATOM 121 N LEU A 9 132.384 -6.310 -13.205 1.00 0.36 N ATOM 122 CA LEU A 9 131.499 -5.248 -12.719 1.00 0.49 C ATOM 123 C LEU A 9 131.416 -5.299 -11.195 1.00 0.53 C ATOM 124 O LEU A 9 131.788 -4.341 -10.515 1.00 0.73 O ATOM 125 CB LEU A 9 130.096 -5.386 -13.328 1.00 0.66 C ATOM 126 CG LEU A 9 129.795 -4.460 -14.513 1.00 0.65 C ATOM 127 CD1 LEU A 9 128.412 -4.753 -15.076 1.00 0.86 C ATOM 128 CD2 LEU A 9 129.899 -2.998 -14.098 1.00 0.72 C ATOM 0 H LEU A 9 131.949 -6.948 -13.872 1.00 0.36 H new ATOM 0 HA LEU A 9 131.912 -4.287 -13.025 1.00 0.49 H new ATOM 0 HB2 LEU A 9 129.960 -6.418 -13.652 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.360 -5.198 -12.546 1.00 0.66 H new ATOM 0 HG LEU A 9 130.536 -4.648 -15.290 1.00 0.65 H new ATOM 0 HD11 LEU A 9 128.213 -4.088 -15.916 1.00 0.86 H new ATOM 0 HD12 LEU A 9 128.369 -5.788 -15.414 1.00 0.86 H new ATOM 0 HD13 LEU A 9 127.662 -4.593 -14.301 1.00 0.86 H new ATOM 0 HD21 LEU A 9 129.681 -2.360 -14.955 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.183 -2.794 -13.302 1.00 0.72 H new ATOM 0 HD23 LEU A 9 130.908 -2.792 -13.740 1.00 0.72 H new ATOM 140 N GLN A 10 130.942 -6.434 -10.667 1.00 0.42 N ATOM 141 CA GLN A 10 130.833 -6.622 -9.221 1.00 0.49 C ATOM 142 C GLN A 10 132.189 -6.385 -8.564 1.00 0.43 C ATOM 143 O GLN A 10 132.286 -5.680 -7.558 1.00 0.50 O ATOM 144 CB GLN A 10 130.335 -8.035 -8.887 1.00 0.60 C ATOM 145 CG GLN A 10 128.857 -8.254 -9.171 1.00 0.69 C ATOM 146 CD GLN A 10 127.965 -7.834 -8.015 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.387 -6.747 -8.026 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.846 -8.697 -7.009 1.00 0.84 N ATOM 0 H GLN A 10 130.629 -7.232 -11.220 1.00 0.42 H new ATOM 0 HA GLN A 10 130.111 -5.902 -8.836 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.915 -8.758 -9.460 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.526 -8.236 -7.833 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.576 -7.693 -10.062 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.687 -9.308 -9.391 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.342 -9.588 -7.040 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.258 -8.468 -6.207 1.00 0.84 H new ATOM 157 N GLU A 11 133.235 -6.986 -9.144 1.00 0.41 N ATOM 158 CA GLU A 11 134.598 -6.854 -8.631 1.00 0.44 C ATOM 159 C GLU A 11 134.971 -5.398 -8.348 1.00 0.40 C ATOM 160 O GLU A 11 135.672 -5.120 -7.374 1.00 0.56 O ATOM 161 CB GLU A 11 135.601 -7.450 -9.624 1.00 0.52 C ATOM 162 CG GLU A 11 136.295 -8.704 -9.115 1.00 0.63 C ATOM 163 CD GLU A 11 137.340 -8.408 -8.053 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.448 -7.959 -8.417 1.00 1.54 O ATOM 165 OE2 GLU A 11 137.048 -8.628 -6.858 1.00 1.64 O ATOM 0 H GLU A 11 133.159 -7.572 -9.975 1.00 0.41 H new ATOM 0 HA GLU A 11 134.637 -7.401 -7.689 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.082 -7.685 -10.554 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.355 -6.699 -9.860 1.00 0.52 H new ATOM 0 HG2 GLU A 11 135.550 -9.385 -8.705 1.00 0.63 H new ATOM 0 HG3 GLU A 11 136.769 -9.217 -9.952 1.00 0.63 H new ATOM 172 N LEU A 12 134.514 -4.467 -9.196 1.00 0.34 N ATOM 173 CA LEU A 12 134.835 -3.056 -8.997 1.00 0.34 C ATOM 174 C LEU A 12 134.121 -2.507 -7.762 1.00 0.31 C ATOM 175 O LEU A 12 134.769 -2.240 -6.749 1.00 0.39 O ATOM 176 CB LEU A 12 134.461 -2.241 -10.245 1.00 0.36 C ATOM 177 CG LEU A 12 135.317 -0.995 -10.500 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.868 0.154 -9.611 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.794 -1.300 -10.280 1.00 0.59 C ATOM 0 H LEU A 12 133.932 -4.664 -10.010 1.00 0.34 H new ATOM 0 HA LEU A 12 135.909 -2.968 -8.835 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.529 -2.892 -11.117 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.419 -1.933 -10.158 1.00 0.36 H new ATOM 0 HG LEU A 12 135.183 -0.696 -11.540 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.488 1.029 -9.807 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.826 0.392 -9.823 1.00 0.65 H new ATOM 0 HD13 LEU A 12 134.968 -0.135 -8.565 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.383 -0.402 -10.466 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.949 -1.628 -9.252 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.109 -2.088 -10.964 1.00 0.59 H new ATOM 191 N VAL A 13 132.796 -2.316 -7.848 1.00 0.26 N ATOM 192 CA VAL A 13 132.011 -1.777 -6.731 1.00 0.26 C ATOM 193 C VAL A 13 132.409 -2.393 -5.387 1.00 0.22 C ATOM 194 O VAL A 13 132.500 -1.683 -4.385 1.00 0.24 O ATOM 195 CB VAL A 13 130.492 -1.977 -6.959 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.154 -3.450 -7.148 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.691 -1.381 -5.808 1.00 0.53 C ATOM 0 H VAL A 13 132.247 -2.528 -8.681 1.00 0.26 H new ATOM 0 HA VAL A 13 132.232 -0.710 -6.695 1.00 0.26 H new ATOM 0 HB VAL A 13 130.218 -1.452 -7.874 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.081 -3.560 -7.306 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.690 -3.838 -8.014 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.449 -4.008 -6.259 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.627 -1.533 -5.988 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.974 -1.870 -4.876 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.898 -0.313 -5.735 1.00 0.53 H new ATOM 207 N LYS A 14 132.652 -3.706 -5.368 1.00 0.24 N ATOM 208 CA LYS A 14 133.048 -4.389 -4.139 1.00 0.23 C ATOM 209 C LYS A 14 134.291 -3.731 -3.543 1.00 0.21 C ATOM 210 O LYS A 14 134.280 -3.294 -2.392 1.00 0.28 O ATOM 211 CB LYS A 14 133.308 -5.876 -4.410 1.00 0.30 C ATOM 212 CG LYS A 14 133.387 -6.722 -3.149 1.00 0.84 C ATOM 213 CD LYS A 14 133.289 -8.206 -3.465 1.00 0.68 C ATOM 214 CE LYS A 14 133.219 -9.043 -2.198 1.00 0.73 C ATOM 215 NZ LYS A 14 133.155 -10.501 -2.498 1.00 0.75 N ATOM 0 H LYS A 14 132.581 -4.312 -6.185 1.00 0.24 H new ATOM 0 HA LYS A 14 132.233 -4.307 -3.420 1.00 0.23 H new ATOM 0 HB2 LYS A 14 132.514 -6.264 -5.048 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.241 -5.978 -4.964 1.00 0.30 H new ATOM 0 HG2 LYS A 14 134.326 -6.520 -2.633 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.583 -6.440 -2.470 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.404 -8.392 -4.074 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.153 -8.511 -4.056 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.092 -8.838 -1.579 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.342 -8.753 -1.619 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.108 -11.037 -1.608 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.308 -10.701 -3.068 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 134.004 -10.784 -3.028 1.00 0.75 H new ATOM 229 N HIS A 15 135.361 -3.679 -4.333 1.00 0.25 N ATOM 230 CA HIS A 15 136.627 -3.090 -3.898 1.00 0.27 C ATOM 231 C HIS A 15 136.443 -1.728 -3.229 1.00 0.23 C ATOM 232 O HIS A 15 137.096 -1.447 -2.222 1.00 0.43 O ATOM 233 CB HIS A 15 137.590 -2.964 -5.080 1.00 0.33 C ATOM 234 CG HIS A 15 138.237 -4.260 -5.451 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.511 -4.352 -5.969 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.775 -5.527 -5.364 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.803 -5.623 -6.184 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.767 -6.355 -5.824 1.00 0.72 N ATOM 0 H HIS A 15 135.376 -4.041 -5.286 1.00 0.25 H new ATOM 0 HA HIS A 15 137.048 -3.764 -3.152 1.00 0.27 H new ATOM 0 HB2 HIS A 15 137.048 -2.575 -5.942 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.363 -2.236 -4.835 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.805 -5.831 -5.000 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.732 -5.998 -6.586 1.00 0.88 H new ATOM 0 HE2 HIS A 15 138.712 -7.372 -5.879 1.00 0.72 H new ATOM 247 N LYS A 16 135.574 -0.871 -3.779 1.00 0.21 N ATOM 248 CA LYS A 16 135.349 0.460 -3.208 1.00 0.25 C ATOM 249 C LYS A 16 134.482 0.404 -1.950 1.00 0.32 C ATOM 250 O LYS A 16 134.771 1.088 -0.969 1.00 0.62 O ATOM 251 CB LYS A 16 134.680 1.375 -4.237 1.00 0.37 C ATOM 252 CG LYS A 16 135.409 1.453 -5.570 1.00 0.50 C ATOM 253 CD LYS A 16 134.452 1.779 -6.706 1.00 0.57 C ATOM 254 CE LYS A 16 133.951 3.213 -6.623 1.00 0.59 C ATOM 255 NZ LYS A 16 132.463 3.287 -6.648 1.00 0.66 N ATOM 0 H LYS A 16 135.020 -1.074 -4.611 1.00 0.21 H new ATOM 0 HA LYS A 16 136.326 0.859 -2.934 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.663 1.024 -4.412 1.00 0.37 H new ATOM 0 HB3 LYS A 16 134.603 2.379 -3.818 1.00 0.37 H new ATOM 0 HG2 LYS A 16 136.187 2.215 -5.517 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.906 0.504 -5.771 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.954 1.623 -7.661 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.604 1.095 -6.676 1.00 0.57 H new ATOM 0 HE2 LYS A 16 134.322 3.674 -5.707 1.00 0.59 H new ATOM 0 HE3 LYS A 16 134.357 3.787 -7.456 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 132.164 4.281 -6.589 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 132.110 2.871 -7.533 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 132.076 2.761 -5.839 1.00 0.66 H new ATOM 269 N GLU A 17 133.415 -0.403 -1.983 1.00 0.32 N ATOM 270 CA GLU A 17 132.515 -0.530 -0.833 1.00 0.39 C ATOM 271 C GLU A 17 133.286 -0.961 0.420 1.00 0.32 C ATOM 272 O GLU A 17 132.945 -0.561 1.534 1.00 0.40 O ATOM 273 CB GLU A 17 131.370 -1.510 -1.143 1.00 0.51 C ATOM 274 CG GLU A 17 131.660 -2.959 -0.767 1.00 0.80 C ATOM 275 CD GLU A 17 130.760 -3.957 -1.482 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.207 -3.614 -2.552 1.00 1.43 O ATOM 277 OE2 GLU A 17 130.614 -5.087 -0.973 1.00 1.47 O ATOM 0 H GLU A 17 133.156 -0.974 -2.788 1.00 0.32 H new ATOM 0 HA GLU A 17 132.077 0.448 -0.635 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.475 -1.183 -0.614 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.146 -1.462 -2.209 1.00 0.51 H new ATOM 0 HG2 GLU A 17 132.700 -3.186 -1.000 1.00 0.80 H new ATOM 0 HG3 GLU A 17 131.541 -3.079 0.310 1.00 0.80 H new ATOM 284 N LEU A 18 134.342 -1.757 0.226 1.00 0.32 N ATOM 285 CA LEU A 18 135.176 -2.215 1.336 1.00 0.34 C ATOM 286 C LEU A 18 136.017 -1.059 1.885 1.00 0.33 C ATOM 287 O LEU A 18 136.372 -1.046 3.064 1.00 0.66 O ATOM 288 CB LEU A 18 136.081 -3.363 0.883 1.00 0.53 C ATOM 289 CG LEU A 18 135.350 -4.660 0.521 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.310 -5.655 -0.117 1.00 0.86 C ATOM 291 CD2 LEU A 18 134.692 -5.263 1.755 1.00 0.79 C ATOM 0 H LEU A 18 134.638 -2.096 -0.689 1.00 0.32 H new ATOM 0 HA LEU A 18 134.525 -2.578 2.131 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.655 -3.033 0.017 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.797 -3.576 1.677 1.00 0.53 H new ATOM 0 HG LEU A 18 134.570 -4.426 -0.204 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.773 -6.570 -0.367 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.732 -5.223 -1.024 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.113 -5.886 0.583 1.00 0.86 H new ATOM 0 HD21 LEU A 18 134.177 -6.184 1.480 1.00 0.79 H new ATOM 0 HD22 LEU A 18 135.454 -5.483 2.503 1.00 0.79 H new ATOM 0 HD23 LEU A 18 133.973 -4.555 2.167 1.00 0.79 H new ATOM 303 N LEU A 19 136.310 -0.080 1.021 1.00 0.43 N ATOM 304 CA LEU A 19 137.082 1.100 1.406 1.00 0.44 C ATOM 305 C LEU A 19 136.182 2.120 2.105 1.00 0.30 C ATOM 306 O LEU A 19 136.628 2.849 2.993 1.00 0.45 O ATOM 307 CB LEU A 19 137.731 1.739 0.173 1.00 0.57 C ATOM 308 CG LEU A 19 139.260 1.688 0.141 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.759 1.610 -1.293 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.850 2.902 0.846 1.00 0.94 C ATOM 0 H LEU A 19 136.020 -0.086 0.043 1.00 0.43 H new ATOM 0 HA LEU A 19 137.866 0.787 2.096 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.348 1.242 -0.718 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.417 2.781 0.116 1.00 0.57 H new ATOM 0 HG LEU A 19 139.586 0.792 0.669 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.848 1.574 -1.298 1.00 0.88 H new ATOM 0 HD12 LEU A 19 139.365 0.711 -1.767 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.422 2.488 -1.844 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.938 2.849 0.813 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.516 3.811 0.346 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.519 2.917 1.884 1.00 0.94 H new ATOM 322 N ARG A 20 134.905 2.149 1.704 1.00 0.32 N ATOM 323 CA ARG A 20 133.930 3.061 2.296 1.00 0.50 C ATOM 324 C ARG A 20 133.642 2.637 3.732 1.00 0.40 C ATOM 325 O ARG A 20 133.884 3.395 4.672 1.00 0.47 O ATOM 326 CB ARG A 20 132.639 3.077 1.468 1.00 0.78 C ATOM 327 CG ARG A 20 132.824 3.638 0.066 1.00 0.89 C ATOM 328 CD ARG A 20 131.500 4.076 -0.543 1.00 0.98 C ATOM 329 NE ARG A 20 131.255 5.509 -0.362 1.00 1.06 N ATOM 330 CZ ARG A 20 130.083 6.104 -0.602 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.035 5.395 -1.013 1.00 1.74 N ATOM 332 NH2 ARG A 20 129.958 7.416 -0.425 1.00 1.60 N ATOM 0 H ARG A 20 134.527 1.549 0.971 1.00 0.32 H new ATOM 0 HA ARG A 20 134.341 4.071 2.300 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.250 2.061 1.396 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.888 3.669 1.992 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.507 4.487 0.101 1.00 0.89 H new ATOM 0 HG3 ARG A 20 133.285 2.883 -0.570 1.00 0.89 H new ATOM 0 HD2 ARG A 20 131.496 3.840 -1.607 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.688 3.510 -0.088 1.00 0.98 H new ATOM 0 HE ARG A 20 132.027 6.088 -0.032 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.122 4.388 -1.148 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.145 5.859 -1.193 1.00 1.74 H new ATOM 0 HH21 ARG A 20 130.756 7.966 -0.107 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.064 7.872 -0.608 1.00 1.60 H new ATOM 346 N ARG A 21 133.135 1.411 3.888 1.00 0.36 N ATOM 347 CA ARG A 21 132.823 0.862 5.206 1.00 0.37 C ATOM 348 C ARG A 21 134.023 1.000 6.146 1.00 0.35 C ATOM 349 O ARG A 21 133.866 1.393 7.301 1.00 0.49 O ATOM 350 CB ARG A 21 132.416 -0.609 5.087 1.00 0.47 C ATOM 351 CG ARG A 21 131.888 -1.205 6.383 1.00 0.71 C ATOM 352 CD ARG A 21 131.237 -2.559 6.149 1.00 0.94 C ATOM 353 NE ARG A 21 131.738 -3.575 7.075 1.00 0.95 N ATOM 354 CZ ARG A 21 131.426 -3.627 8.374 1.00 1.19 C ATOM 355 NH1 ARG A 21 130.603 -2.729 8.911 1.00 2.03 N ATOM 356 NH2 ARG A 21 131.939 -4.585 9.139 1.00 1.50 N ATOM 0 H ARG A 21 132.932 0.779 3.113 1.00 0.36 H new ATOM 0 HA ARG A 21 131.989 1.426 5.623 1.00 0.37 H new ATOM 0 HB2 ARG A 21 131.651 -0.704 4.316 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.277 -1.189 4.755 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.706 -1.312 7.095 1.00 0.71 H new ATOM 0 HG3 ARG A 21 131.163 -0.524 6.829 1.00 0.71 H new ATOM 0 HD2 ARG A 21 130.157 -2.466 6.262 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.424 -2.879 5.124 1.00 0.94 H new ATOM 0 HE ARG A 21 132.366 -4.289 6.706 1.00 0.95 H new ATOM 0 HH11 ARG A 21 130.204 -1.992 8.330 1.00 2.03 H new ATOM 0 HH12 ARG A 21 130.372 -2.778 9.903 1.00 2.03 H new ATOM 0 HH21 ARG A 21 132.569 -5.278 8.735 1.00 1.50 H new ATOM 0 HH22 ARG A 21 131.703 -4.627 10.130 1.00 1.50 H new ATOM 370 N LYS A 22 135.220 0.673 5.639 1.00 0.33 N ATOM 371 CA LYS A 22 136.456 0.760 6.426 1.00 0.41 C ATOM 372 C LYS A 22 136.566 2.101 7.158 1.00 0.34 C ATOM 373 O LYS A 22 137.006 2.151 8.308 1.00 0.36 O ATOM 374 CB LYS A 22 137.676 0.568 5.518 1.00 0.56 C ATOM 375 CG LYS A 22 138.862 -0.087 6.211 1.00 0.77 C ATOM 376 CD LYS A 22 139.943 -0.477 5.214 1.00 0.95 C ATOM 377 CE LYS A 22 140.855 0.698 4.887 1.00 0.76 C ATOM 378 NZ LYS A 22 142.253 0.468 5.349 1.00 0.71 N ATOM 0 H LYS A 22 135.357 0.345 4.683 1.00 0.33 H new ATOM 0 HA LYS A 22 136.427 -0.033 7.173 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.387 -0.040 4.661 1.00 0.56 H new ATOM 0 HB3 LYS A 22 137.985 1.539 5.130 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.277 0.598 6.950 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.526 -0.973 6.751 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.536 -1.296 5.621 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.479 -0.844 4.298 1.00 0.95 H new ATOM 0 HE2 LYS A 22 140.853 0.869 3.811 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.463 1.601 5.354 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.839 1.292 5.106 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.260 0.330 6.380 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.637 -0.379 4.884 1.00 0.71 H new ATOM 392 N ASP A 23 136.155 3.182 6.488 1.00 0.34 N ATOM 393 CA ASP A 23 136.198 4.518 7.081 1.00 0.32 C ATOM 394 C ASP A 23 135.004 4.735 8.012 1.00 0.29 C ATOM 395 O ASP A 23 135.145 5.325 9.082 1.00 0.34 O ATOM 396 CB ASP A 23 136.210 5.592 5.989 1.00 0.37 C ATOM 397 CG ASP A 23 137.616 6.029 5.624 1.00 0.78 C ATOM 398 OD1 ASP A 23 138.222 5.398 4.732 1.00 1.17 O ATOM 399 OD2 ASP A 23 138.112 7.003 6.231 1.00 1.15 O ATOM 0 H ASP A 23 135.790 3.156 5.536 1.00 0.34 H new ATOM 0 HA ASP A 23 137.115 4.599 7.664 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.709 5.208 5.100 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.640 6.457 6.328 1.00 0.37 H new ATOM 404 N THR A 24 133.834 4.240 7.599 1.00 0.27 N ATOM 405 CA THR A 24 132.613 4.363 8.399 1.00 0.28 C ATOM 406 C THR A 24 132.735 3.588 9.716 1.00 0.27 C ATOM 407 O THR A 24 132.081 3.927 10.701 1.00 0.32 O ATOM 408 CB THR A 24 131.401 3.858 7.604 1.00 0.31 C ATOM 409 OG1 THR A 24 131.321 4.498 6.341 1.00 0.52 O ATOM 410 CG2 THR A 24 130.080 4.076 8.315 1.00 0.53 C ATOM 0 H THR A 24 133.707 3.750 6.714 1.00 0.27 H new ATOM 0 HA THR A 24 132.471 5.418 8.634 1.00 0.28 H new ATOM 0 HB THR A 24 131.561 2.786 7.492 1.00 0.31 H new ATOM 0 HG1 THR A 24 132.004 4.128 5.743 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.267 3.696 7.697 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.088 3.548 9.268 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.934 5.142 8.492 1.00 0.53 H new ATOM 418 N HIS A 25 133.584 2.555 9.725 1.00 0.27 N ATOM 419 CA HIS A 25 133.796 1.745 10.924 1.00 0.31 C ATOM 420 C HIS A 25 134.648 2.503 11.934 1.00 0.33 C ATOM 421 O HIS A 25 134.280 2.611 13.102 1.00 0.43 O ATOM 422 CB HIS A 25 134.446 0.402 10.572 1.00 0.37 C ATOM 423 CG HIS A 25 133.952 -0.738 11.411 1.00 0.38 C ATOM 424 ND1 HIS A 25 132.630 -0.884 11.782 1.00 0.92 N ATOM 425 CD2 HIS A 25 134.610 -1.789 11.956 1.00 0.92 C ATOM 426 CE1 HIS A 25 132.499 -1.971 12.521 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.685 -2.539 12.641 1.00 0.75 N ATOM 0 H HIS A 25 134.133 2.262 8.917 1.00 0.27 H new ATOM 0 HA HIS A 25 132.824 1.542 11.372 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.256 0.179 9.522 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.526 0.488 10.689 1.00 0.37 H new ATOM 0 HD2 HIS A 25 135.666 -1.999 11.868 1.00 0.92 H new ATOM 0 HE1 HIS A 25 131.578 -2.334 12.954 1.00 0.79 H new ATOM 0 HE2 HIS A 25 133.882 -3.396 13.158 1.00 0.75 H new ATOM 436 N ILE A 26 135.771 3.060 11.478 1.00 0.31 N ATOM 437 CA ILE A 26 136.635 3.843 12.359 1.00 0.35 C ATOM 438 C ILE A 26 135.922 5.137 12.775 1.00 0.34 C ATOM 439 O ILE A 26 136.197 5.698 13.837 1.00 0.46 O ATOM 440 CB ILE A 26 137.989 4.187 11.695 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.781 4.988 10.406 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.779 2.916 11.410 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.967 5.849 10.028 1.00 0.68 C ATOM 0 H ILE A 26 136.100 2.985 10.515 1.00 0.31 H new ATOM 0 HA ILE A 26 136.843 3.232 13.237 1.00 0.35 H new ATOM 0 HB ILE A 26 138.559 4.805 12.389 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.569 4.298 9.590 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.903 5.624 10.521 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.729 3.175 10.943 1.00 0.56 H new ATOM 0 HG22 ILE A 26 138.966 2.387 12.344 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.207 2.275 10.739 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.747 6.387 9.106 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.166 6.564 10.826 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.843 5.217 9.880 1.00 0.68 H new ATOM 455 N ARG A 27 134.989 5.582 11.925 1.00 0.29 N ATOM 456 CA ARG A 27 134.203 6.787 12.180 1.00 0.35 C ATOM 457 C ARG A 27 133.129 6.516 13.236 1.00 0.34 C ATOM 458 O ARG A 27 132.930 7.322 14.147 1.00 0.39 O ATOM 459 CB ARG A 27 133.550 7.288 10.888 1.00 0.44 C ATOM 460 CG ARG A 27 133.153 8.755 10.939 1.00 0.52 C ATOM 461 CD ARG A 27 132.074 9.083 9.917 1.00 0.81 C ATOM 462 NE ARG A 27 130.865 9.616 10.548 1.00 0.91 N ATOM 463 CZ ARG A 27 129.887 8.862 11.060 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.959 7.534 11.018 1.00 1.19 N ATOM 465 NH2 ARG A 27 128.829 9.443 11.617 1.00 1.68 N ATOM 0 H ARG A 27 134.761 5.117 11.046 1.00 0.29 H new ATOM 0 HA ARG A 27 134.877 7.558 12.554 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.240 7.135 10.058 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.665 6.687 10.681 1.00 0.44 H new ATOM 0 HG2 ARG A 27 132.794 9.000 11.939 1.00 0.52 H new ATOM 0 HG3 ARG A 27 134.030 9.376 10.754 1.00 0.52 H new ATOM 0 HD2 ARG A 27 132.460 9.810 9.202 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.823 8.184 9.354 1.00 0.81 H new ATOM 0 HE ARG A 27 130.762 10.629 10.600 1.00 0.91 H new ATOM 0 HH11 ARG A 27 130.767 7.080 10.592 1.00 1.19 H new ATOM 0 HH12 ARG A 27 129.206 6.970 11.412 1.00 1.19 H new ATOM 0 HH21 ARG A 27 128.766 10.460 11.653 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.081 8.871 12.009 1.00 1.68 H new ATOM 479 N GLU A 28 132.442 5.375 13.113 1.00 0.33 N ATOM 480 CA GLU A 28 131.394 5.003 14.065 1.00 0.38 C ATOM 481 C GLU A 28 132.002 4.530 15.382 1.00 0.37 C ATOM 482 O GLU A 28 131.521 4.891 16.458 1.00 0.47 O ATOM 483 CB GLU A 28 130.466 3.926 13.479 1.00 0.48 C ATOM 484 CG GLU A 28 131.163 2.620 13.116 1.00 0.81 C ATOM 485 CD GLU A 28 131.135 1.592 14.236 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.060 1.395 14.842 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.190 0.979 14.503 1.00 1.85 O ATOM 0 H GLU A 28 132.593 4.697 12.366 1.00 0.33 H new ATOM 0 HA GLU A 28 130.794 5.891 14.263 1.00 0.38 H new ATOM 0 HB2 GLU A 28 129.676 3.714 14.200 1.00 0.48 H new ATOM 0 HB3 GLU A 28 129.984 4.326 12.587 1.00 0.48 H new ATOM 0 HG2 GLU A 28 130.688 2.196 12.231 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.199 2.831 12.851 1.00 0.81 H new ATOM 494 N LEU A 29 133.066 3.729 15.293 1.00 0.34 N ATOM 495 CA LEU A 29 133.749 3.218 16.478 1.00 0.38 C ATOM 496 C LEU A 29 134.341 4.363 17.301 1.00 0.42 C ATOM 497 O LEU A 29 134.514 4.234 18.515 1.00 0.80 O ATOM 498 CB LEU A 29 134.855 2.241 16.069 1.00 0.48 C ATOM 499 CG LEU A 29 135.200 1.175 17.113 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.890 -0.215 16.575 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.663 1.281 17.519 1.00 0.58 C ATOM 0 H LEU A 29 133.472 3.421 14.409 1.00 0.34 H new ATOM 0 HA LEU A 29 133.018 2.693 17.094 1.00 0.38 H new ATOM 0 HB2 LEU A 29 134.554 1.741 15.148 1.00 0.48 H new ATOM 0 HB3 LEU A 29 135.756 2.811 15.843 1.00 0.48 H new ATOM 0 HG LEU A 29 134.587 1.345 17.998 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.141 -0.961 17.329 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.829 -0.284 16.335 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.478 -0.396 15.675 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.891 0.516 18.261 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.295 1.136 16.643 1.00 0.58 H new ATOM 0 HD23 LEU A 29 136.852 2.267 17.944 1.00 0.58 H new ATOM 513 N GLU A 30 134.646 5.483 16.630 1.00 0.42 N ATOM 514 CA GLU A 30 135.214 6.654 17.295 1.00 0.46 C ATOM 515 C GLU A 30 134.301 7.127 18.420 1.00 0.46 C ATOM 516 O GLU A 30 134.720 7.191 19.574 1.00 0.61 O ATOM 517 CB GLU A 30 135.435 7.797 16.294 1.00 0.51 C ATOM 518 CG GLU A 30 136.900 8.072 15.978 1.00 0.57 C ATOM 519 CD GLU A 30 137.772 8.121 17.220 1.00 0.91 C ATOM 520 OE1 GLU A 30 137.582 9.039 18.046 1.00 1.24 O ATOM 521 OE2 GLU A 30 138.646 7.239 17.366 1.00 1.33 O ATOM 0 H GLU A 30 134.507 5.598 15.626 1.00 0.42 H new ATOM 0 HA GLU A 30 136.177 6.365 17.716 1.00 0.46 H new ATOM 0 HB2 GLU A 30 134.913 7.560 15.367 1.00 0.51 H new ATOM 0 HB3 GLU A 30 134.983 8.706 16.691 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.274 7.298 15.308 1.00 0.57 H new ATOM 0 HG3 GLU A 30 136.980 9.020 15.446 1.00 0.57 H new ATOM 528 N ASP A 31 133.057 7.474 18.069 1.00 0.43 N ATOM 529 CA ASP A 31 132.069 7.957 19.036 1.00 0.58 C ATOM 530 C ASP A 31 132.080 7.154 20.338 1.00 0.59 C ATOM 531 O ASP A 31 131.964 7.729 21.422 1.00 0.78 O ATOM 532 CB ASP A 31 130.667 7.906 18.420 1.00 0.71 C ATOM 533 CG ASP A 31 130.007 9.272 18.359 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.453 9.712 19.389 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.041 9.899 17.279 1.00 1.73 O ATOM 0 H ASP A 31 132.710 7.428 17.111 1.00 0.43 H new ATOM 0 HA ASP A 31 132.339 8.984 19.280 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.731 7.492 17.414 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.042 7.230 19.004 1.00 0.71 H new ATOM 540 N TYR A 32 132.225 5.829 20.233 1.00 0.51 N ATOM 541 CA TYR A 32 132.255 4.962 21.413 1.00 0.56 C ATOM 542 C TYR A 32 133.465 5.280 22.289 1.00 0.55 C ATOM 543 O TYR A 32 133.364 5.294 23.518 1.00 0.64 O ATOM 544 CB TYR A 32 132.291 3.485 20.999 1.00 0.61 C ATOM 545 CG TYR A 32 131.042 3.007 20.286 1.00 0.70 C ATOM 546 CD1 TYR A 32 129.809 2.997 20.928 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.097 2.560 18.971 1.00 0.98 C ATOM 548 CE1 TYR A 32 128.670 2.556 20.281 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.963 2.117 18.317 1.00 1.19 C ATOM 550 CZ TYR A 32 128.753 2.117 18.976 1.00 1.23 C ATOM 551 OH TYR A 32 127.621 1.674 18.329 1.00 1.55 O ATOM 0 H TYR A 32 132.323 5.336 19.346 1.00 0.51 H new ATOM 0 HA TYR A 32 131.347 5.148 21.986 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.151 3.323 20.349 1.00 0.61 H new ATOM 0 HB3 TYR A 32 132.444 2.874 21.889 1.00 0.61 H new ATOM 0 HD1 TYR A 32 129.740 3.340 21.950 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.043 2.559 18.451 1.00 0.98 H new ATOM 0 HE1 TYR A 32 127.720 2.555 20.795 1.00 1.38 H new ATOM 0 HE2 TYR A 32 130.025 1.773 17.295 1.00 1.19 H new ATOM 0 HH TYR A 32 127.851 1.401 17.416 1.00 1.55 H new ATOM 561 N ILE A 33 134.605 5.541 21.646 1.00 0.53 N ATOM 562 CA ILE A 33 135.839 5.869 22.358 1.00 0.62 C ATOM 563 C ILE A 33 135.736 7.229 23.051 1.00 0.58 C ATOM 564 O ILE A 33 136.396 7.459 24.067 1.00 0.77 O ATOM 565 CB ILE A 33 137.067 5.882 21.415 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.098 4.622 20.544 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.358 5.999 22.219 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.213 4.623 19.519 1.00 0.85 C ATOM 0 H ILE A 33 134.698 5.531 20.630 1.00 0.53 H new ATOM 0 HA ILE A 33 135.976 5.087 23.105 1.00 0.62 H new ATOM 0 HB ILE A 33 136.982 6.750 20.761 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.207 3.748 21.187 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.142 4.522 20.029 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.210 6.007 21.540 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.345 6.924 22.795 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.442 5.150 22.897 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.174 3.701 18.938 1.00 0.85 H new ATOM 0 HD12 ILE A 33 138.094 5.477 18.852 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.175 4.691 20.028 1.00 0.85 H new ATOM 580 N ASP A 34 134.912 8.134 22.505 1.00 0.49 N ATOM 581 CA ASP A 34 134.740 9.468 23.081 1.00 0.54 C ATOM 582 C ASP A 34 134.181 9.404 24.503 1.00 0.44 C ATOM 583 O ASP A 34 134.504 10.248 25.325 1.00 0.47 O ATOM 584 CB ASP A 34 133.816 10.312 22.196 1.00 0.75 C ATOM 585 CG ASP A 34 134.510 10.830 20.948 1.00 0.90 C ATOM 586 OD1 ASP A 34 135.046 10.004 20.176 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.514 12.063 20.741 1.00 1.49 O ATOM 0 H ASP A 34 134.356 7.964 21.667 1.00 0.49 H new ATOM 0 HA ASP A 34 135.724 9.934 23.129 1.00 0.54 H new ATOM 0 HB2 ASP A 34 132.953 9.713 21.905 1.00 0.75 H new ATOM 0 HB3 ASP A 34 133.438 11.156 22.773 1.00 0.75 H new ATOM 592 N ASN A 35 133.334 8.407 24.777 1.00 0.53 N ATOM 593 CA ASN A 35 132.719 8.232 26.100 1.00 0.57 C ATOM 594 C ASN A 35 133.703 8.552 27.228 1.00 0.47 C ATOM 595 O ASN A 35 133.344 9.218 28.200 1.00 0.58 O ATOM 596 CB ASN A 35 132.196 6.800 26.256 1.00 0.74 C ATOM 597 CG ASN A 35 131.032 6.495 25.325 1.00 0.88 C ATOM 598 OD1 ASN A 35 130.481 7.390 24.683 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.651 5.224 25.247 1.00 1.32 N ATOM 0 H ASN A 35 133.056 7.702 24.094 1.00 0.53 H new ATOM 0 HA ASN A 35 131.887 8.933 26.171 1.00 0.57 H new ATOM 0 HB2 ASN A 35 133.007 6.098 26.059 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.881 6.643 27.288 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.876 4.960 24.639 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.134 4.512 25.795 1.00 1.32 H new ATOM 606 N LEU A 36 134.950 8.093 27.080 1.00 0.42 N ATOM 607 CA LEU A 36 135.987 8.353 28.079 1.00 0.47 C ATOM 608 C LEU A 36 136.248 9.856 28.178 1.00 0.42 C ATOM 609 O LEU A 36 136.252 10.427 29.270 1.00 0.53 O ATOM 610 CB LEU A 36 137.287 7.613 27.724 1.00 0.66 C ATOM 611 CG LEU A 36 137.113 6.181 27.199 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.462 5.576 26.838 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.395 5.314 28.226 1.00 1.66 C ATOM 0 H LEU A 36 135.263 7.542 26.281 1.00 0.42 H new ATOM 0 HA LEU A 36 135.638 7.985 29.044 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.821 8.194 26.972 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.920 7.581 28.611 1.00 0.66 H new ATOM 0 HG LEU A 36 136.501 6.220 26.298 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.318 4.561 26.468 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.937 6.180 26.065 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.099 5.553 27.722 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.282 4.303 27.834 1.00 1.66 H new ATOM 0 HD22 LEU A 36 136.977 5.283 29.147 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.411 5.735 28.433 1.00 1.66 H new ATOM 625 N LEU A 37 136.441 10.487 27.018 1.00 0.36 N ATOM 626 CA LEU A 37 136.678 11.925 26.938 1.00 0.40 C ATOM 627 C LEU A 37 135.523 12.621 26.206 1.00 0.32 C ATOM 628 O LEU A 37 135.714 13.234 25.153 1.00 0.42 O ATOM 629 CB LEU A 37 138.012 12.208 26.234 1.00 0.56 C ATOM 630 CG LEU A 37 138.176 11.562 24.853 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.847 12.528 23.888 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.973 10.267 24.958 1.00 0.63 C ATOM 0 H LEU A 37 136.437 10.016 26.113 1.00 0.36 H new ATOM 0 HA LEU A 37 136.731 12.324 27.951 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.126 13.287 26.128 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.823 11.864 26.876 1.00 0.56 H new ATOM 0 HG LEU A 37 137.186 11.323 24.466 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.955 12.052 22.913 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.236 13.425 23.788 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.831 12.799 24.270 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.079 9.824 23.968 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.960 10.480 25.368 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.451 9.570 25.614 1.00 0.63 H new ATOM 644 N VAL A 38 134.318 12.504 26.775 1.00 0.29 N ATOM 645 CA VAL A 38 133.115 13.114 26.206 1.00 0.41 C ATOM 646 C VAL A 38 131.928 12.940 27.160 1.00 0.38 C ATOM 647 O VAL A 38 131.946 12.058 28.021 1.00 0.61 O ATOM 648 CB VAL A 38 132.770 12.519 24.817 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.751 11.392 24.933 1.00 0.97 C ATOM 650 CG2 VAL A 38 132.270 13.608 23.879 1.00 0.99 C ATOM 0 H VAL A 38 134.151 11.986 27.638 1.00 0.29 H new ATOM 0 HA VAL A 38 133.319 14.176 26.072 1.00 0.41 H new ATOM 0 HB VAL A 38 133.683 12.095 24.398 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.531 10.997 23.941 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.157 10.597 25.558 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.835 11.775 25.382 1.00 0.97 H new ATOM 0 HG21 VAL A 38 132.033 13.172 22.909 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.375 14.067 24.299 1.00 0.99 H new ATOM 0 HG23 VAL A 38 133.044 14.366 23.757 1.00 0.99 H new ATOM 660 N ARG A 39 130.901 13.786 27.013 1.00 0.44 N ATOM 661 CA ARG A 39 129.714 13.721 27.871 1.00 0.47 C ATOM 662 C ARG A 39 129.157 12.299 27.953 1.00 0.53 C ATOM 663 O ARG A 39 128.861 11.675 26.932 1.00 0.86 O ATOM 664 CB ARG A 39 128.637 14.687 27.347 1.00 0.59 C ATOM 665 CG ARG A 39 127.214 14.352 27.790 1.00 0.75 C ATOM 666 CD ARG A 39 126.809 15.128 29.035 1.00 0.97 C ATOM 667 NE ARG A 39 126.329 16.473 28.712 1.00 0.93 N ATOM 668 CZ ARG A 39 126.953 17.607 29.056 1.00 1.00 C ATOM 669 NH1 ARG A 39 128.093 17.580 29.746 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.430 18.778 28.706 1.00 1.48 N ATOM 0 H ARG A 39 130.869 14.523 26.308 1.00 0.44 H new ATOM 0 HA ARG A 39 130.008 14.018 28.878 1.00 0.47 H new ATOM 0 HB2 ARG A 39 128.879 15.696 27.680 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.672 14.694 26.258 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.520 14.577 26.980 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.138 13.283 27.988 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.028 14.582 29.564 1.00 0.97 H new ATOM 0 HD3 ARG A 39 127.661 15.200 29.710 1.00 0.97 H new ATOM 0 HE ARG A 39 125.458 16.552 28.188 1.00 0.93 H new ATOM 0 HH11 ARG A 39 128.502 16.687 30.020 1.00 1.27 H new ATOM 0 HH12 ARG A 39 128.556 18.453 30.000 1.00 1.27 H new ATOM 0 HH21 ARG A 39 125.558 18.810 28.178 1.00 1.48 H new ATOM 0 HH22 ARG A 39 126.901 19.645 28.965 1.00 1.48 H new ATOM 684 N VAL A 40 129.011 11.801 29.181 1.00 0.46 N ATOM 685 CA VAL A 40 128.481 10.458 29.415 1.00 0.53 C ATOM 686 C VAL A 40 127.039 10.517 29.918 1.00 0.53 C ATOM 687 O VAL A 40 126.617 11.515 30.507 1.00 0.66 O ATOM 688 CB VAL A 40 129.338 9.672 30.433 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.697 9.329 29.840 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.495 10.453 31.732 1.00 0.78 C ATOM 0 H VAL A 40 129.253 12.310 30.031 1.00 0.46 H new ATOM 0 HA VAL A 40 128.512 9.939 28.457 1.00 0.53 H new ATOM 0 HB VAL A 40 128.821 8.740 30.662 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.285 8.776 30.573 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.561 8.718 28.948 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.220 10.247 29.574 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.102 9.878 32.431 1.00 0.78 H new ATOM 0 HG22 VAL A 40 129.983 11.406 31.527 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.513 10.634 32.168 1.00 0.78 H new ATOM 700 N MET A 41 126.286 9.441 29.684 1.00 0.53 N ATOM 701 CA MET A 41 124.891 9.369 30.115 1.00 0.60 C ATOM 702 C MET A 41 124.621 8.079 30.884 1.00 0.86 C ATOM 703 O MET A 41 124.457 8.095 32.104 1.00 1.20 O ATOM 704 CB MET A 41 123.950 9.469 28.909 1.00 0.75 C ATOM 705 CG MET A 41 124.228 8.441 27.823 1.00 0.56 C ATOM 706 SD MET A 41 122.845 8.245 26.682 1.00 0.67 S ATOM 707 CE MET A 41 123.029 9.710 25.668 1.00 0.54 C ATOM 0 H MET A 41 126.620 8.608 29.199 1.00 0.53 H new ATOM 0 HA MET A 41 124.703 10.211 30.781 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.922 9.352 29.252 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.031 10.468 28.480 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.115 8.739 27.265 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.451 7.480 28.286 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.243 9.731 24.913 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.953 10.598 26.295 1.00 0.54 H new ATOM 0 HE3 MET A 41 124.003 9.694 25.178 1.00 0.54 H new ATOM 718 N GLY B 1 134.908 4.609 -27.352 1.00 0.61 N ATOM 719 CA GLY B 1 136.178 4.143 -27.975 1.00 0.61 C ATOM 720 C GLY B 1 136.764 2.932 -27.273 1.00 0.52 C ATOM 721 O GLY B 1 136.617 1.805 -27.746 1.00 0.60 O ATOM 0 H1 GLY B 1 134.551 5.437 -27.870 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.202 3.846 -27.390 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.083 4.869 -26.360 1.00 0.61 H new ATOM 0 HA2 GLY B 1 135.996 3.899 -29.022 1.00 0.61 H new ATOM 0 HA3 GLY B 1 136.905 4.955 -27.959 1.00 0.61 H new ATOM 727 N SER B 2 137.427 3.167 -26.141 1.00 0.50 N ATOM 728 CA SER B 2 138.040 2.085 -25.368 1.00 0.49 C ATOM 729 C SER B 2 137.347 1.882 -24.021 1.00 0.47 C ATOM 730 O SER B 2 137.756 1.014 -23.252 1.00 0.63 O ATOM 731 CB SER B 2 139.529 2.367 -25.150 1.00 0.55 C ATOM 732 OG SER B 2 140.244 2.326 -26.374 1.00 0.67 O ATOM 0 H SER B 2 137.554 4.096 -25.738 1.00 0.50 H new ATOM 0 HA SER B 2 137.923 1.167 -25.944 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.652 3.346 -24.687 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.943 1.633 -24.459 1.00 0.55 H new ATOM 0 HG SER B 2 141.192 2.511 -26.206 1.00 0.67 H new ATOM 738 N LEU B 3 136.290 2.661 -23.745 1.00 0.48 N ATOM 739 CA LEU B 3 135.543 2.525 -22.494 1.00 0.55 C ATOM 740 C LEU B 3 134.728 1.233 -22.529 1.00 0.65 C ATOM 741 O LEU B 3 133.503 1.251 -22.673 1.00 1.02 O ATOM 742 CB LEU B 3 134.628 3.740 -22.276 1.00 0.62 C ATOM 743 CG LEU B 3 135.191 4.821 -21.349 1.00 0.61 C ATOM 744 CD1 LEU B 3 136.257 5.640 -22.062 1.00 0.61 C ATOM 745 CD2 LEU B 3 134.072 5.721 -20.846 1.00 0.76 C ATOM 0 H LEU B 3 135.938 3.386 -24.370 1.00 0.48 H new ATOM 0 HA LEU B 3 136.244 2.482 -21.660 1.00 0.55 H new ATOM 0 HB2 LEU B 3 134.412 4.191 -23.245 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.679 3.392 -21.868 1.00 0.62 H new ATOM 0 HG LEU B 3 135.655 4.333 -20.492 1.00 0.61 H new ATOM 0 HD11 LEU B 3 136.643 6.402 -21.385 1.00 0.61 H new ATOM 0 HD12 LEU B 3 137.071 4.985 -22.374 1.00 0.61 H new ATOM 0 HD13 LEU B 3 135.821 6.120 -22.938 1.00 0.61 H new ATOM 0 HD21 LEU B 3 134.487 6.485 -20.188 1.00 0.76 H new ATOM 0 HD22 LEU B 3 133.581 6.200 -21.693 1.00 0.76 H new ATOM 0 HD23 LEU B 3 133.345 5.124 -20.295 1.00 0.76 H new ATOM 757 N THR B 4 135.437 0.109 -22.434 1.00 0.46 N ATOM 758 CA THR B 4 134.829 -1.213 -22.492 1.00 0.55 C ATOM 759 C THR B 4 135.644 -2.221 -21.664 1.00 0.42 C ATOM 760 O THR B 4 136.381 -1.832 -20.760 1.00 0.43 O ATOM 761 CB THR B 4 134.721 -1.662 -23.959 1.00 0.72 C ATOM 762 OG1 THR B 4 135.928 -1.402 -24.654 1.00 0.70 O ATOM 763 CG2 THR B 4 133.608 -0.975 -24.716 1.00 0.90 C ATOM 0 H THR B 4 136.450 0.093 -22.315 1.00 0.46 H new ATOM 0 HA THR B 4 133.828 -1.168 -22.063 1.00 0.55 H new ATOM 0 HB THR B 4 134.508 -2.730 -23.916 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.839 -1.696 -25.585 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.589 -1.338 -25.743 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.654 -1.192 -24.236 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.778 0.102 -24.715 1.00 0.90 H new ATOM 771 N TYR B 5 135.482 -3.510 -21.971 1.00 0.50 N ATOM 772 CA TYR B 5 136.179 -4.599 -21.267 1.00 0.45 C ATOM 773 C TYR B 5 137.613 -4.219 -20.869 1.00 0.41 C ATOM 774 O TYR B 5 137.966 -4.264 -19.691 1.00 0.46 O ATOM 775 CB TYR B 5 136.206 -5.858 -22.143 1.00 0.57 C ATOM 776 CG TYR B 5 136.576 -7.122 -21.392 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.074 -7.373 -20.121 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.439 -8.056 -21.952 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.422 -8.516 -19.429 1.00 0.69 C ATOM 780 CE2 TYR B 5 137.789 -9.204 -21.267 1.00 0.92 C ATOM 781 CZ TYR B 5 137.280 -9.429 -20.006 1.00 0.67 C ATOM 782 OH TYR B 5 137.635 -10.564 -19.314 1.00 0.84 O ATOM 0 H TYR B 5 134.864 -3.833 -22.715 1.00 0.50 H new ATOM 0 HA TYR B 5 135.624 -4.792 -20.349 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.225 -5.992 -22.599 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.917 -5.708 -22.955 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.400 -6.662 -19.667 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.843 -7.882 -22.938 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.024 -8.694 -18.441 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.458 -9.922 -21.718 1.00 0.92 H new ATOM 0 HH TYR B 5 138.244 -11.103 -19.860 1.00 0.84 H new ATOM 792 N GLU B 6 138.433 -3.865 -21.860 1.00 0.49 N ATOM 793 CA GLU B 6 139.835 -3.493 -21.625 1.00 0.50 C ATOM 794 C GLU B 6 139.974 -2.319 -20.645 1.00 0.38 C ATOM 795 O GLU B 6 140.966 -2.228 -19.918 1.00 0.44 O ATOM 796 CB GLU B 6 140.514 -3.151 -22.954 1.00 0.62 C ATOM 797 CG GLU B 6 141.989 -3.514 -22.991 1.00 0.68 C ATOM 798 CD GLU B 6 142.672 -3.070 -24.271 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.689 -3.860 -25.239 1.00 1.14 O ATOM 800 OE2 GLU B 6 143.192 -1.935 -24.305 1.00 1.01 O ATOM 0 H GLU B 6 138.151 -3.827 -22.840 1.00 0.49 H new ATOM 0 HA GLU B 6 140.326 -4.352 -21.169 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.999 -3.672 -23.761 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.406 -2.083 -23.144 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.492 -3.057 -22.139 1.00 0.68 H new ATOM 0 HG3 GLU B 6 142.096 -4.593 -22.883 1.00 0.68 H new ATOM 807 N GLU B 7 138.981 -1.428 -20.626 1.00 0.32 N ATOM 808 CA GLU B 7 139.001 -0.268 -19.731 1.00 0.29 C ATOM 809 C GLU B 7 138.705 -0.657 -18.279 1.00 0.27 C ATOM 810 O GLU B 7 139.016 0.100 -17.358 1.00 0.43 O ATOM 811 CB GLU B 7 137.985 0.777 -20.189 1.00 0.43 C ATOM 812 CG GLU B 7 138.393 2.206 -19.871 1.00 0.57 C ATOM 813 CD GLU B 7 137.695 2.748 -18.638 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.471 2.985 -18.705 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.372 2.933 -17.604 1.00 0.80 O ATOM 0 H GLU B 7 138.153 -1.487 -21.219 1.00 0.32 H new ATOM 0 HA GLU B 7 140.007 0.149 -19.774 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.838 0.681 -21.265 1.00 0.43 H new ATOM 0 HB3 GLU B 7 137.025 0.569 -19.717 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.472 2.248 -19.722 1.00 0.57 H new ATOM 0 HG3 GLU B 7 138.164 2.844 -20.724 1.00 0.57 H new ATOM 822 N VAL B 8 138.116 -1.838 -18.075 1.00 0.35 N ATOM 823 CA VAL B 8 137.799 -2.311 -16.731 1.00 0.37 C ATOM 824 C VAL B 8 138.983 -3.067 -16.116 1.00 0.28 C ATOM 825 O VAL B 8 139.151 -3.072 -14.895 1.00 0.40 O ATOM 826 CB VAL B 8 136.528 -3.198 -16.725 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.860 -4.658 -17.009 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.789 -3.059 -15.401 1.00 0.78 C ATOM 0 H VAL B 8 137.851 -2.480 -18.822 1.00 0.35 H new ATOM 0 HA VAL B 8 137.598 -1.432 -16.119 1.00 0.37 H new ATOM 0 HB VAL B 8 135.876 -2.851 -17.526 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.944 -5.249 -16.997 1.00 0.44 H new ATOM 0 HG12 VAL B 8 137.331 -4.740 -17.988 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.543 -5.031 -16.245 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.899 -3.688 -15.413 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.442 -3.370 -14.585 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.496 -2.019 -15.255 1.00 0.78 H new ATOM 838 N LEU B 9 139.813 -3.689 -16.969 1.00 0.35 N ATOM 839 CA LEU B 9 140.990 -4.425 -16.502 1.00 0.49 C ATOM 840 C LEU B 9 141.889 -3.502 -15.682 1.00 0.52 C ATOM 841 O LEU B 9 142.129 -3.749 -14.499 1.00 0.74 O ATOM 842 CB LEU B 9 141.775 -5.008 -17.686 1.00 0.65 C ATOM 843 CG LEU B 9 141.532 -6.494 -17.973 1.00 0.65 C ATOM 844 CD1 LEU B 9 142.299 -6.925 -19.215 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.934 -7.350 -16.779 1.00 0.76 C ATOM 0 H LEU B 9 139.688 -3.695 -17.981 1.00 0.35 H new ATOM 0 HA LEU B 9 140.654 -5.250 -15.874 1.00 0.49 H new ATOM 0 HB2 LEU B 9 141.525 -4.438 -18.581 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.839 -4.861 -17.501 1.00 0.65 H new ATOM 0 HG LEU B 9 140.466 -6.637 -18.151 1.00 0.65 H new ATOM 0 HD11 LEU B 9 142.117 -7.982 -19.406 1.00 0.85 H new ATOM 0 HD12 LEU B 9 141.965 -6.338 -20.071 1.00 0.85 H new ATOM 0 HD13 LEU B 9 143.365 -6.763 -19.058 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.752 -8.400 -17.007 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.993 -7.203 -16.566 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.345 -7.060 -15.909 1.00 0.76 H new ATOM 857 N GLN B 10 142.365 -2.424 -16.318 1.00 0.41 N ATOM 858 CA GLN B 10 143.216 -1.446 -15.641 1.00 0.48 C ATOM 859 C GLN B 10 142.513 -0.923 -14.392 1.00 0.42 C ATOM 860 O GLN B 10 143.112 -0.846 -13.319 1.00 0.48 O ATOM 861 CB GLN B 10 143.555 -0.275 -16.574 1.00 0.58 C ATOM 862 CG GLN B 10 144.567 -0.620 -17.658 1.00 0.66 C ATOM 863 CD GLN B 10 146.005 -0.465 -17.193 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.662 -1.444 -16.840 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.503 0.768 -17.194 1.00 0.83 N ATOM 0 H GLN B 10 142.174 -2.210 -17.297 1.00 0.41 H new ATOM 0 HA GLN B 10 144.145 -1.940 -15.356 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.638 0.077 -17.046 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.944 0.550 -15.978 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.405 -1.647 -17.986 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.399 0.022 -18.523 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.924 1.552 -17.495 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.464 0.930 -16.894 1.00 0.83 H new ATOM 874 N GLU B 11 141.233 -0.560 -14.547 1.00 0.40 N ATOM 875 CA GLU B 11 140.427 -0.039 -13.444 1.00 0.42 C ATOM 876 C GLU B 11 140.539 -0.906 -12.188 1.00 0.37 C ATOM 877 O GLU B 11 140.552 -0.378 -11.076 1.00 0.54 O ATOM 878 CB GLU B 11 138.957 0.064 -13.862 1.00 0.48 C ATOM 879 CG GLU B 11 138.449 1.495 -13.964 1.00 0.62 C ATOM 880 CD GLU B 11 138.233 2.141 -12.607 1.00 0.99 C ATOM 881 OE1 GLU B 11 137.208 1.837 -11.959 1.00 1.53 O ATOM 882 OE2 GLU B 11 139.090 2.952 -12.194 1.00 1.61 O ATOM 0 H GLU B 11 140.734 -0.620 -15.434 1.00 0.40 H new ATOM 0 HA GLU B 11 140.815 0.951 -13.205 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.827 -0.428 -14.826 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.345 -0.479 -13.142 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.163 2.089 -14.535 1.00 0.62 H new ATOM 0 HG3 GLU B 11 137.511 1.504 -14.519 1.00 0.62 H new ATOM 889 N LEU B 12 140.609 -2.232 -12.359 1.00 0.32 N ATOM 890 CA LEU B 12 140.706 -3.128 -11.209 1.00 0.30 C ATOM 891 C LEU B 12 142.064 -2.985 -10.523 1.00 0.28 C ATOM 892 O LEU B 12 142.140 -2.437 -9.422 1.00 0.36 O ATOM 893 CB LEU B 12 140.467 -4.583 -11.640 1.00 0.32 C ATOM 894 CG LEU B 12 139.849 -5.494 -10.573 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.909 -5.956 -9.584 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.712 -4.784 -9.849 1.00 0.54 C ATOM 0 H LEU B 12 140.600 -2.698 -13.266 1.00 0.32 H new ATOM 0 HA LEU B 12 139.934 -2.850 -10.492 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.816 -4.582 -12.514 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.419 -5.012 -11.952 1.00 0.32 H new ATOM 0 HG LEU B 12 139.439 -6.372 -11.071 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.451 -6.601 -8.835 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.685 -6.509 -10.114 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.352 -5.089 -9.094 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.288 -5.449 -9.096 1.00 0.54 H new ATOM 0 HD22 LEU B 12 139.094 -3.885 -9.365 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.939 -4.509 -10.567 1.00 0.54 H new ATOM 908 N VAL B 13 143.132 -3.490 -11.158 1.00 0.25 N ATOM 909 CA VAL B 13 144.482 -3.425 -10.588 1.00 0.26 C ATOM 910 C VAL B 13 144.789 -2.061 -9.966 1.00 0.22 C ATOM 911 O VAL B 13 145.392 -1.991 -8.894 1.00 0.26 O ATOM 912 CB VAL B 13 145.561 -3.762 -11.648 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.472 -2.818 -12.840 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.954 -3.724 -11.031 1.00 0.52 C ATOM 0 H VAL B 13 143.085 -3.948 -12.068 1.00 0.25 H new ATOM 0 HA VAL B 13 144.510 -4.173 -9.796 1.00 0.26 H new ATOM 0 HB VAL B 13 145.374 -4.774 -12.007 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.241 -3.078 -13.568 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.489 -2.908 -13.303 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.622 -1.792 -12.504 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.696 -3.964 -11.793 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.149 -2.728 -10.635 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.014 -4.454 -10.224 1.00 0.52 H new ATOM 924 N LYS B 14 144.368 -0.981 -10.630 1.00 0.24 N ATOM 925 CA LYS B 14 144.601 0.366 -10.118 1.00 0.25 C ATOM 926 C LYS B 14 144.032 0.503 -8.707 1.00 0.22 C ATOM 927 O LYS B 14 144.751 0.848 -7.769 1.00 0.29 O ATOM 928 CB LYS B 14 143.976 1.411 -11.050 1.00 0.34 C ATOM 929 CG LYS B 14 144.457 2.830 -10.786 1.00 0.87 C ATOM 930 CD LYS B 14 144.099 3.763 -11.932 1.00 0.75 C ATOM 931 CE LYS B 14 144.706 5.143 -11.738 1.00 0.70 C ATOM 932 NZ LYS B 14 144.335 6.074 -12.841 1.00 0.72 N ATOM 0 H LYS B 14 143.867 -1.016 -11.518 1.00 0.24 H new ATOM 0 HA LYS B 14 145.676 0.539 -10.078 1.00 0.25 H new ATOM 0 HB2 LYS B 14 144.203 1.146 -12.083 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.892 1.378 -10.943 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.012 3.200 -9.862 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.537 2.828 -10.641 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.452 3.338 -12.872 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.015 3.849 -12.008 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.371 5.556 -10.786 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.791 5.058 -11.685 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.769 7.004 -12.671 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.676 5.693 -13.746 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.301 6.176 -12.876 1.00 0.72 H new ATOM 946 N HIS B 15 142.732 0.244 -8.572 1.00 0.24 N ATOM 947 CA HIS B 15 142.044 0.344 -7.286 1.00 0.27 C ATOM 948 C HIS B 15 142.802 -0.352 -6.155 1.00 0.25 C ATOM 949 O HIS B 15 142.874 0.182 -5.046 1.00 0.45 O ATOM 950 CB HIS B 15 140.630 -0.230 -7.394 1.00 0.33 C ATOM 951 CG HIS B 15 139.668 0.699 -8.063 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.327 0.760 -7.749 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.868 1.619 -9.033 1.00 0.74 C ATOM 954 CE1 HIS B 15 137.745 1.679 -8.499 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.659 2.215 -9.285 1.00 0.76 N ATOM 0 H HIS B 15 142.130 -0.039 -9.345 1.00 0.24 H new ATOM 0 HA HIS B 15 141.994 1.404 -7.038 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.666 -1.167 -7.949 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.263 -0.466 -6.395 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.806 1.843 -9.519 1.00 0.74 H new ATOM 0 HE1 HIS B 15 136.699 1.946 -8.473 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.493 2.953 -9.969 1.00 0.76 H new ATOM 964 N LYS B 16 143.361 -1.540 -6.414 1.00 0.21 N ATOM 965 CA LYS B 16 144.095 -2.280 -5.383 1.00 0.27 C ATOM 966 C LYS B 16 145.484 -1.692 -5.137 1.00 0.36 C ATOM 967 O LYS B 16 145.909 -1.569 -3.989 1.00 0.69 O ATOM 968 CB LYS B 16 144.237 -3.751 -5.780 1.00 0.35 C ATOM 969 CG LYS B 16 142.922 -4.432 -6.130 1.00 0.46 C ATOM 970 CD LYS B 16 143.136 -5.580 -7.104 1.00 0.49 C ATOM 971 CE LYS B 16 143.844 -6.753 -6.441 1.00 0.53 C ATOM 972 NZ LYS B 16 145.056 -7.172 -7.198 1.00 0.61 N ATOM 0 H LYS B 16 143.320 -2.006 -7.321 1.00 0.21 H new ATOM 0 HA LYS B 16 143.519 -2.197 -4.461 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.909 -3.822 -6.635 1.00 0.35 H new ATOM 0 HB3 LYS B 16 144.707 -4.293 -4.960 1.00 0.35 H new ATOM 0 HG2 LYS B 16 142.451 -4.806 -5.221 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.238 -3.704 -6.567 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.174 -5.910 -7.496 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.724 -5.232 -7.953 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.128 -6.478 -5.425 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.156 -7.595 -6.363 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.508 -7.973 -6.713 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 144.783 -7.459 -8.160 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.724 -6.377 -7.251 1.00 0.61 H new ATOM 986 N GLU B 17 146.194 -1.338 -6.215 1.00 0.30 N ATOM 987 CA GLU B 17 147.539 -0.768 -6.094 1.00 0.38 C ATOM 988 C GLU B 17 147.524 0.488 -5.215 1.00 0.32 C ATOM 989 O GLU B 17 148.486 0.762 -4.496 1.00 0.40 O ATOM 990 CB GLU B 17 148.129 -0.464 -7.482 1.00 0.51 C ATOM 991 CG GLU B 17 147.842 0.942 -7.996 1.00 0.80 C ATOM 992 CD GLU B 17 148.007 1.077 -9.503 1.00 1.10 C ATOM 993 OE1 GLU B 17 147.930 0.049 -10.213 1.00 1.47 O ATOM 994 OE2 GLU B 17 148.207 2.216 -9.974 1.00 1.49 O ATOM 0 H GLU B 17 145.861 -1.436 -7.174 1.00 0.30 H new ATOM 0 HA GLU B 17 148.178 -1.506 -5.610 1.00 0.38 H new ATOM 0 HB2 GLU B 17 149.208 -0.610 -7.444 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.735 -1.186 -8.197 1.00 0.51 H new ATOM 0 HG2 GLU B 17 146.824 1.221 -7.722 1.00 0.80 H new ATOM 0 HG3 GLU B 17 148.510 1.646 -7.500 1.00 0.80 H new ATOM 1001 N LEU B 18 146.414 1.232 -5.258 1.00 0.32 N ATOM 1002 CA LEU B 18 146.263 2.438 -4.445 1.00 0.34 C ATOM 1003 C LEU B 18 146.081 2.071 -2.969 1.00 0.35 C ATOM 1004 O LEU B 18 146.443 2.843 -2.081 1.00 0.66 O ATOM 1005 CB LEU B 18 145.073 3.265 -4.936 1.00 0.51 C ATOM 1006 CG LEU B 18 145.240 3.878 -6.330 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.930 4.489 -6.806 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.349 4.921 -6.322 1.00 0.75 C ATOM 0 H LEU B 18 145.609 1.019 -5.847 1.00 0.32 H new ATOM 0 HA LEU B 18 147.169 3.036 -4.544 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.186 2.631 -4.938 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.889 4.068 -4.222 1.00 0.51 H new ATOM 0 HG LEU B 18 145.519 3.086 -7.025 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.068 4.919 -7.798 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.163 3.716 -6.850 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.619 5.270 -6.112 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.455 5.347 -7.320 1.00 0.75 H new ATOM 0 HD22 LEU B 18 146.100 5.712 -5.614 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.287 4.452 -6.026 1.00 0.75 H new ATOM 1020 N LEU B 19 145.543 0.872 -2.722 1.00 0.45 N ATOM 1021 CA LEU B 19 145.334 0.371 -1.365 1.00 0.47 C ATOM 1022 C LEU B 19 146.634 -0.211 -0.805 1.00 0.33 C ATOM 1023 O LEU B 19 146.887 -0.141 0.399 1.00 0.45 O ATOM 1024 CB LEU B 19 144.239 -0.703 -1.354 1.00 0.63 C ATOM 1025 CG LEU B 19 142.965 -0.326 -0.595 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.754 -1.000 -1.220 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.086 -0.704 0.875 1.00 0.96 C ATOM 0 H LEU B 19 145.243 0.228 -3.453 1.00 0.45 H new ATOM 0 HA LEU B 19 145.019 1.205 -0.737 1.00 0.47 H new ATOM 0 HB2 LEU B 19 143.973 -0.938 -2.384 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.649 -1.613 -0.915 1.00 0.63 H new ATOM 0 HG LEU B 19 142.832 0.754 -0.662 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.857 -0.721 -0.668 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.655 -0.681 -2.258 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.881 -2.082 -1.183 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.170 -0.428 1.398 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.244 -1.779 0.962 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.930 -0.176 1.318 1.00 0.96 H new ATOM 1039 N ARG B 20 147.460 -0.769 -1.698 1.00 0.35 N ATOM 1040 CA ARG B 20 148.742 -1.347 -1.308 1.00 0.49 C ATOM 1041 C ARG B 20 149.693 -0.235 -0.877 1.00 0.40 C ATOM 1042 O ARG B 20 150.147 -0.206 0.267 1.00 0.49 O ATOM 1043 CB ARG B 20 149.343 -2.152 -2.468 1.00 0.76 C ATOM 1044 CG ARG B 20 148.519 -3.374 -2.850 1.00 0.85 C ATOM 1045 CD ARG B 20 149.342 -4.381 -3.639 1.00 0.96 C ATOM 1046 NE ARG B 20 149.895 -5.434 -2.785 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.825 -6.309 -3.181 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.329 -6.251 -4.411 1.00 1.68 N ATOM 1049 NH2 ARG B 20 151.257 -7.243 -2.340 1.00 1.59 N ATOM 0 H ARG B 20 147.259 -0.830 -2.696 1.00 0.35 H new ATOM 0 HA ARG B 20 148.587 -2.027 -0.470 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.441 -1.503 -3.338 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.348 -2.472 -2.195 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.130 -3.848 -1.948 1.00 0.85 H new ATOM 0 HG3 ARG B 20 147.659 -3.063 -3.443 1.00 0.85 H new ATOM 0 HD2 ARG B 20 148.718 -4.832 -4.411 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.155 -3.864 -4.148 1.00 0.96 H new ATOM 0 HE ARG B 20 149.549 -5.504 -1.828 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.006 -5.534 -5.061 1.00 1.68 H new ATOM 0 HH12 ARG B 20 152.038 -6.923 -4.704 1.00 1.68 H new ATOM 0 HH21 ARG B 20 150.879 -7.292 -1.394 1.00 1.59 H new ATOM 0 HH22 ARG B 20 151.966 -7.911 -2.641 1.00 1.59 H new ATOM 1063 N ARG B 21 149.976 0.683 -1.805 1.00 0.35 N ATOM 1064 CA ARG B 21 150.858 1.816 -1.532 1.00 0.35 C ATOM 1065 C ARG B 21 150.421 2.547 -0.261 1.00 0.34 C ATOM 1066 O ARG B 21 151.254 2.894 0.574 1.00 0.47 O ATOM 1067 CB ARG B 21 150.865 2.783 -2.719 1.00 0.45 C ATOM 1068 CG ARG B 21 151.903 3.888 -2.602 1.00 0.70 C ATOM 1069 CD ARG B 21 152.066 4.641 -3.913 1.00 0.98 C ATOM 1070 NE ARG B 21 151.987 6.089 -3.727 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.947 6.828 -3.161 1.00 1.25 C ATOM 1072 NH1 ARG B 21 154.073 6.263 -2.731 1.00 2.12 N ATOM 1073 NH2 ARG B 21 152.781 8.139 -3.027 1.00 1.53 N ATOM 0 H ARG B 21 149.605 0.662 -2.755 1.00 0.35 H new ATOM 0 HA ARG B 21 151.868 1.434 -1.382 1.00 0.35 H new ATOM 0 HB2 ARG B 21 151.049 2.220 -3.634 1.00 0.45 H new ATOM 0 HB3 ARG B 21 149.877 3.233 -2.815 1.00 0.45 H new ATOM 0 HG2 ARG B 21 151.609 4.583 -1.816 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.860 3.459 -2.306 1.00 0.70 H new ATOM 0 HD2 ARG B 21 153.026 4.385 -4.361 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.293 4.323 -4.612 1.00 0.98 H new ATOM 0 HE ARG B 21 151.145 6.566 -4.050 1.00 0.97 H new ATOM 0 HH11 ARG B 21 154.210 5.257 -2.832 1.00 2.12 H new ATOM 0 HH12 ARG B 21 154.799 6.836 -2.301 1.00 2.12 H new ATOM 0 HH21 ARG B 21 151.922 8.581 -3.356 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.512 8.704 -2.595 1.00 1.53 H new ATOM 1087 N LYS B 22 149.107 2.777 -0.126 1.00 0.30 N ATOM 1088 CA LYS B 22 148.547 3.465 1.044 1.00 0.36 C ATOM 1089 C LYS B 22 149.096 2.892 2.353 1.00 0.31 C ATOM 1090 O LYS B 22 149.380 3.639 3.292 1.00 0.36 O ATOM 1091 CB LYS B 22 147.018 3.359 1.039 1.00 0.47 C ATOM 1092 CG LYS B 22 146.316 4.551 1.671 1.00 0.69 C ATOM 1093 CD LYS B 22 144.816 4.511 1.419 1.00 0.86 C ATOM 1094 CE LYS B 22 144.101 3.626 2.430 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.173 4.403 3.299 1.00 0.70 N ATOM 0 H LYS B 22 148.411 2.495 -0.816 1.00 0.30 H new ATOM 0 HA LYS B 22 148.843 4.512 0.981 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.674 3.251 0.010 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.725 2.453 1.570 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.506 4.560 2.744 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.730 5.475 1.267 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.411 5.522 1.469 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.626 4.141 0.412 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.541 2.853 1.903 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.838 3.118 3.051 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.708 3.761 3.972 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 143.709 5.124 3.823 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.453 4.868 2.710 1.00 0.70 H new ATOM 1109 N ASP B 23 149.256 1.566 2.405 1.00 0.32 N ATOM 1110 CA ASP B 23 149.784 0.899 3.594 1.00 0.32 C ATOM 1111 C ASP B 23 151.309 1.007 3.641 1.00 0.30 C ATOM 1112 O ASP B 23 151.888 1.220 4.705 1.00 0.37 O ATOM 1113 CB ASP B 23 149.363 -0.573 3.617 1.00 0.36 C ATOM 1114 CG ASP B 23 148.093 -0.800 4.414 1.00 0.75 C ATOM 1115 OD1 ASP B 23 146.996 -0.701 3.824 1.00 1.15 O ATOM 1116 OD2 ASP B 23 148.195 -1.073 5.629 1.00 1.11 O ATOM 0 H ASP B 23 149.027 0.936 1.637 1.00 0.32 H new ATOM 0 HA ASP B 23 149.371 1.396 4.472 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.214 -0.921 2.595 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.168 -1.171 4.044 1.00 0.36 H new ATOM 1121 N THR B 24 151.950 0.871 2.477 1.00 0.28 N ATOM 1122 CA THR B 24 153.408 0.965 2.376 1.00 0.29 C ATOM 1123 C THR B 24 153.897 2.373 2.738 1.00 0.27 C ATOM 1124 O THR B 24 155.033 2.544 3.178 1.00 0.32 O ATOM 1125 CB THR B 24 153.869 0.599 0.959 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.352 -0.663 0.567 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.376 0.544 0.811 1.00 0.55 C ATOM 0 H THR B 24 151.480 0.695 1.589 1.00 0.28 H new ATOM 0 HA THR B 24 153.840 0.259 3.086 1.00 0.29 H new ATOM 0 HB THR B 24 153.486 1.396 0.321 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.397 -0.577 0.366 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.631 0.280 -0.215 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.801 1.519 1.051 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.781 -0.206 1.490 1.00 0.55 H new ATOM 1135 N HIS B 25 153.025 3.371 2.561 1.00 0.26 N ATOM 1136 CA HIS B 25 153.367 4.756 2.880 1.00 0.29 C ATOM 1137 C HIS B 25 153.362 4.970 4.389 1.00 0.31 C ATOM 1138 O HIS B 25 154.325 5.495 4.945 1.00 0.41 O ATOM 1139 CB HIS B 25 152.405 5.733 2.195 1.00 0.34 C ATOM 1140 CG HIS B 25 153.069 6.994 1.728 1.00 0.34 C ATOM 1141 ND1 HIS B 25 154.326 7.018 1.158 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.647 8.281 1.753 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.648 8.263 0.857 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.646 9.048 1.206 1.00 0.74 N ATOM 0 H HIS B 25 152.080 3.243 2.199 1.00 0.26 H new ATOM 0 HA HIS B 25 154.371 4.953 2.503 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.942 5.237 1.342 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.604 5.988 2.888 1.00 0.34 H new ATOM 0 HD2 HIS B 25 151.701 8.637 2.133 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.574 8.584 0.403 1.00 0.72 H new ATOM 0 HE2 HIS B 25 153.618 10.061 1.088 1.00 0.74 H new ATOM 1153 N ILE B 26 152.295 4.532 5.057 1.00 0.29 N ATOM 1154 CA ILE B 26 152.214 4.653 6.511 1.00 0.35 C ATOM 1155 C ILE B 26 153.253 3.738 7.170 1.00 0.35 C ATOM 1156 O ILE B 26 153.713 3.999 8.283 1.00 0.47 O ATOM 1157 CB ILE B 26 150.804 4.310 7.048 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.406 2.879 6.672 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.777 5.304 6.520 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.382 2.269 7.605 1.00 0.68 C ATOM 0 H ILE B 26 151.484 4.095 4.620 1.00 0.29 H new ATOM 0 HA ILE B 26 152.420 5.693 6.763 1.00 0.35 H new ATOM 0 HB ILE B 26 150.830 4.379 8.135 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.008 2.876 5.657 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.298 2.253 6.666 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.791 5.048 6.907 1.00 0.54 H new ATOM 0 HG22 ILE B 26 150.044 6.310 6.844 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.760 5.266 5.431 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.149 1.256 7.277 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.785 2.239 8.617 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.474 2.872 7.593 1.00 0.68 H new ATOM 1172 N ARG B 27 153.625 2.672 6.450 1.00 0.31 N ATOM 1173 CA ARG B 27 154.621 1.713 6.923 1.00 0.37 C ATOM 1174 C ARG B 27 156.031 2.297 6.809 1.00 0.34 C ATOM 1175 O ARG B 27 156.836 2.170 7.732 1.00 0.39 O ATOM 1176 CB ARG B 27 154.530 0.407 6.126 1.00 0.46 C ATOM 1177 CG ARG B 27 155.143 -0.785 6.844 1.00 0.53 C ATOM 1178 CD ARG B 27 155.519 -1.896 5.874 1.00 0.80 C ATOM 1179 NE ARG B 27 156.946 -2.215 5.931 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.893 -1.559 5.252 1.00 0.92 C ATOM 1181 NH1 ARG B 27 157.576 -0.543 4.451 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.165 -1.922 5.375 1.00 1.67 N ATOM 0 H ARG B 27 153.244 2.454 5.529 1.00 0.31 H new ATOM 0 HA ARG B 27 154.415 1.501 7.972 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.483 0.193 5.912 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.030 0.540 5.167 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.030 -0.464 7.390 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.437 -1.169 7.580 1.00 0.53 H new ATOM 0 HD2 ARG B 27 154.939 -2.789 6.104 1.00 0.80 H new ATOM 0 HD3 ARG B 27 155.255 -1.596 4.860 1.00 0.80 H new ATOM 0 HE ARG B 27 157.238 -2.989 6.528 1.00 0.90 H new ATOM 0 HH11 ARG B 27 156.602 -0.258 4.350 1.00 1.21 H new ATOM 0 HH12 ARG B 27 158.307 -0.050 3.938 1.00 1.21 H new ATOM 0 HH21 ARG B 27 159.417 -2.699 5.986 1.00 1.67 H new ATOM 0 HH22 ARG B 27 159.890 -1.424 4.858 1.00 1.67 H new ATOM 1196 N GLU B 28 156.321 2.943 5.673 1.00 0.33 N ATOM 1197 CA GLU B 28 157.634 3.550 5.451 1.00 0.36 C ATOM 1198 C GLU B 28 157.780 4.839 6.255 1.00 0.35 C ATOM 1199 O GLU B 28 158.829 5.088 6.854 1.00 0.44 O ATOM 1200 CB GLU B 28 157.878 3.815 3.956 1.00 0.47 C ATOM 1201 CG GLU B 28 156.878 4.769 3.311 1.00 0.78 C ATOM 1202 CD GLU B 28 157.335 6.219 3.324 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.511 6.479 2.990 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.513 7.095 3.664 1.00 1.79 O ATOM 0 H GLU B 28 155.667 3.057 4.899 1.00 0.33 H new ATOM 0 HA GLU B 28 158.389 2.843 5.796 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.881 4.222 3.831 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.851 2.865 3.422 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.704 4.459 2.280 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.924 4.691 3.833 1.00 0.78 H new ATOM 1211 N LEU B 29 156.720 5.650 6.276 1.00 0.33 N ATOM 1212 CA LEU B 29 156.723 6.906 7.019 1.00 0.38 C ATOM 1213 C LEU B 29 156.891 6.652 8.518 1.00 0.42 C ATOM 1214 O LEU B 29 157.395 7.511 9.244 1.00 0.79 O ATOM 1215 CB LEU B 29 155.424 7.675 6.765 1.00 0.46 C ATOM 1216 CG LEU B 29 155.529 9.195 6.908 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.238 9.874 5.577 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.578 9.696 7.986 1.00 0.59 C ATOM 0 H LEU B 29 155.848 5.456 5.785 1.00 0.33 H new ATOM 0 HA LEU B 29 157.566 7.503 6.672 1.00 0.38 H new ATOM 0 HB2 LEU B 29 155.074 7.444 5.759 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.664 7.312 7.458 1.00 0.46 H new ATOM 0 HG LEU B 29 156.547 9.446 7.207 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.317 10.955 5.695 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.958 9.537 4.832 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.230 9.617 5.250 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.666 10.779 8.074 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.554 9.436 7.718 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.832 9.233 8.939 1.00 0.59 H new ATOM 1230 N GLU B 30 156.475 5.461 8.971 1.00 0.43 N ATOM 1231 CA GLU B 30 156.587 5.086 10.379 1.00 0.45 C ATOM 1232 C GLU B 30 158.035 5.177 10.844 1.00 0.44 C ATOM 1233 O GLU B 30 158.339 5.912 11.783 1.00 0.58 O ATOM 1234 CB GLU B 30 156.059 3.663 10.609 1.00 0.51 C ATOM 1235 CG GLU B 30 154.739 3.605 11.367 1.00 0.58 C ATOM 1236 CD GLU B 30 154.718 4.508 12.588 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.491 4.247 13.535 1.00 1.26 O ATOM 1238 OE2 GLU B 30 153.930 5.477 12.596 1.00 1.35 O ATOM 0 H GLU B 30 156.058 4.743 8.378 1.00 0.43 H new ATOM 0 HA GLU B 30 155.982 5.783 10.959 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.933 3.173 9.643 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.808 3.094 11.160 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.928 3.890 10.697 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.549 2.578 11.678 1.00 0.58 H new ATOM 1245 N ASP B 31 158.919 4.411 10.194 1.00 0.41 N ATOM 1246 CA ASP B 31 160.342 4.382 10.536 1.00 0.55 C ATOM 1247 C ASP B 31 160.907 5.776 10.815 1.00 0.57 C ATOM 1248 O ASP B 31 161.701 5.950 11.742 1.00 0.76 O ATOM 1249 CB ASP B 31 161.138 3.729 9.402 1.00 0.69 C ATOM 1250 CG ASP B 31 161.884 2.487 9.853 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.981 2.630 10.435 1.00 1.66 O ATOM 1252 OD2 ASP B 31 161.373 1.371 9.621 1.00 1.74 O ATOM 0 H ASP B 31 158.667 3.797 9.419 1.00 0.41 H new ATOM 0 HA ASP B 31 160.438 3.798 11.452 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.459 3.466 8.591 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.850 4.450 9.001 1.00 0.69 H new ATOM 1257 N TYR B 32 160.496 6.769 10.018 1.00 0.49 N ATOM 1258 CA TYR B 32 160.969 8.143 10.195 1.00 0.56 C ATOM 1259 C TYR B 32 160.521 8.701 11.545 1.00 0.56 C ATOM 1260 O TYR B 32 161.281 9.395 12.222 1.00 0.67 O ATOM 1261 CB TYR B 32 160.449 9.043 9.067 1.00 0.60 C ATOM 1262 CG TYR B 32 160.992 8.696 7.694 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.350 8.798 7.413 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.144 8.273 6.678 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.845 8.488 6.160 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.631 7.963 5.422 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.981 8.072 5.168 1.00 1.21 C ATOM 1268 OH TYR B 32 162.470 7.765 3.918 1.00 1.53 O ATOM 0 H TYR B 32 159.839 6.646 9.247 1.00 0.49 H new ATOM 0 HA TYR B 32 162.058 8.128 10.164 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.361 8.982 9.041 1.00 0.60 H new ATOM 0 HB3 TYR B 32 160.705 10.078 9.296 1.00 0.60 H new ATOM 0 HD1 TYR B 32 163.029 9.125 8.186 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.085 8.185 6.873 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.903 8.571 5.959 1.00 1.37 H new ATOM 0 HE2 TYR B 32 159.957 7.637 4.644 1.00 1.17 H new ATOM 0 HH TYR B 32 161.731 7.488 3.337 1.00 1.53 H new ATOM 1278 N ILE B 33 159.282 8.383 11.931 1.00 0.54 N ATOM 1279 CA ILE B 33 158.726 8.841 13.203 1.00 0.64 C ATOM 1280 C ILE B 33 159.432 8.180 14.390 1.00 0.58 C ATOM 1281 O ILE B 33 159.493 8.759 15.476 1.00 0.78 O ATOM 1282 CB ILE B 33 157.207 8.558 13.306 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.479 9.019 12.039 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.617 9.246 14.532 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.005 8.670 12.027 1.00 0.87 C ATOM 0 H ILE B 33 158.646 7.809 11.378 1.00 0.54 H new ATOM 0 HA ILE B 33 158.888 9.918 13.236 1.00 0.64 H new ATOM 0 HB ILE B 33 157.070 7.482 13.409 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.589 10.099 11.939 1.00 0.84 H new ATOM 0 HG13 ILE B 33 156.958 8.568 11.170 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.549 9.036 14.588 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.108 8.872 15.431 1.00 0.98 H new ATOM 0 HG23 ILE B 33 156.772 10.322 14.455 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.554 9.027 11.101 1.00 0.87 H new ATOM 0 HD12 ILE B 33 154.887 7.589 12.095 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.512 9.143 12.876 1.00 0.87 H new ATOM 1297 N ASP B 34 159.964 6.967 14.186 1.00 0.46 N ATOM 1298 CA ASP B 34 160.658 6.240 15.250 1.00 0.50 C ATOM 1299 C ASP B 34 161.886 7.002 15.749 1.00 0.40 C ATOM 1300 O ASP B 34 162.228 6.911 16.919 1.00 0.45 O ATOM 1301 CB ASP B 34 161.074 4.849 14.758 1.00 0.69 C ATOM 1302 CG ASP B 34 159.912 3.872 14.710 1.00 0.82 C ATOM 1303 OD1 ASP B 34 158.904 4.175 14.034 1.00 1.34 O ATOM 1304 OD2 ASP B 34 160.013 2.800 15.346 1.00 1.46 O ATOM 0 H ASP B 34 159.926 6.472 13.295 1.00 0.46 H new ATOM 0 HA ASP B 34 159.964 6.139 16.084 1.00 0.50 H new ATOM 0 HB2 ASP B 34 161.512 4.936 13.763 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.849 4.453 15.414 1.00 0.69 H new ATOM 1309 N ASN B 35 162.550 7.737 14.852 1.00 0.52 N ATOM 1310 CA ASN B 35 163.749 8.513 15.197 1.00 0.58 C ATOM 1311 C ASN B 35 163.623 9.166 16.575 1.00 0.49 C ATOM 1312 O ASN B 35 164.570 9.148 17.364 1.00 0.61 O ATOM 1313 CB ASN B 35 164.008 9.587 14.134 1.00 0.78 C ATOM 1314 CG ASN B 35 164.391 8.999 12.785 1.00 0.90 C ATOM 1315 OD1 ASN B 35 164.646 7.799 12.664 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.435 9.842 11.758 1.00 1.31 N ATOM 0 H ASN B 35 162.276 7.812 13.872 1.00 0.52 H new ATOM 0 HA ASN B 35 164.591 7.821 15.229 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.114 10.200 14.018 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.805 10.247 14.477 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.687 9.502 10.830 1.00 1.31 H new ATOM 0 HD22 ASN B 35 164.217 10.829 11.898 1.00 1.31 H new ATOM 1323 N LEU B 36 162.444 9.722 16.867 1.00 0.44 N ATOM 1324 CA LEU B 36 162.193 10.357 18.162 1.00 0.51 C ATOM 1325 C LEU B 36 162.301 9.319 19.281 1.00 0.47 C ATOM 1326 O LEU B 36 163.001 9.529 20.272 1.00 0.59 O ATOM 1327 CB LEU B 36 160.807 11.020 18.188 1.00 0.71 C ATOM 1328 CG LEU B 36 160.406 11.771 16.910 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.000 12.337 17.041 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.404 12.880 16.602 1.00 1.64 C ATOM 0 H LEU B 36 161.651 9.745 16.226 1.00 0.44 H new ATOM 0 HA LEU B 36 162.944 11.132 18.317 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.060 10.251 18.386 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.774 11.719 19.024 1.00 0.71 H new ATOM 0 HG LEU B 36 160.415 11.064 16.081 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.734 12.866 16.126 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.294 11.523 17.208 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.963 13.028 17.883 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.101 13.400 15.693 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.431 13.586 17.432 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.395 12.449 16.461 1.00 1.64 H new ATOM 1342 N LEU B 37 161.618 8.190 19.091 1.00 0.41 N ATOM 1343 CA LEU B 37 161.638 7.088 20.052 1.00 0.48 C ATOM 1344 C LEU B 37 162.290 5.854 19.417 1.00 0.41 C ATOM 1345 O LEU B 37 161.646 4.817 19.242 1.00 0.54 O ATOM 1346 CB LEU B 37 160.210 6.764 20.514 1.00 0.65 C ATOM 1347 CG LEU B 37 159.201 6.482 19.392 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.293 5.321 19.771 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.379 7.727 19.082 1.00 0.69 C ATOM 0 H LEU B 37 161.038 8.014 18.271 1.00 0.41 H new ATOM 0 HA LEU B 37 162.224 7.384 20.922 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.248 5.896 21.172 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.841 7.599 21.109 1.00 0.65 H new ATOM 0 HG LEU B 37 159.755 6.207 18.494 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.584 5.135 18.964 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.895 4.428 19.938 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.749 5.567 20.683 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.670 7.506 18.284 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.836 8.036 19.975 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.043 8.531 18.765 1.00 0.69 H new ATOM 1361 N VAL B 38 163.569 5.990 19.047 1.00 0.36 N ATOM 1362 CA VAL B 38 164.309 4.918 18.382 1.00 0.49 C ATOM 1363 C VAL B 38 164.109 3.583 19.078 1.00 0.67 C ATOM 1364 O VAL B 38 164.472 3.412 20.241 1.00 1.35 O ATOM 1365 CB VAL B 38 165.823 5.234 18.314 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.610 4.055 17.755 1.00 1.31 C ATOM 1367 CG2 VAL B 38 166.067 6.482 17.479 1.00 0.89 C ATOM 0 H VAL B 38 164.113 6.839 19.200 1.00 0.36 H new ATOM 0 HA VAL B 38 163.912 4.850 17.369 1.00 0.49 H new ATOM 0 HB VAL B 38 166.174 5.417 19.330 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.670 4.309 17.720 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.466 3.185 18.396 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.258 3.827 16.749 1.00 1.31 H new ATOM 0 HG21 VAL B 38 167.136 6.691 17.441 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.692 6.322 16.468 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.548 7.328 17.929 1.00 0.89 H new ATOM 1377 N ARG B 39 163.433 2.688 18.351 1.00 0.54 N ATOM 1378 CA ARG B 39 163.041 1.373 18.855 1.00 0.62 C ATOM 1379 C ARG B 39 164.176 0.666 19.603 1.00 0.51 C ATOM 1380 O ARG B 39 164.908 -0.156 19.049 1.00 0.63 O ATOM 1381 CB ARG B 39 162.561 0.503 17.680 1.00 0.93 C ATOM 1382 CG ARG B 39 162.146 -0.908 18.078 1.00 1.15 C ATOM 1383 CD ARG B 39 162.102 -1.844 16.875 1.00 1.41 C ATOM 1384 NE ARG B 39 162.459 -3.224 17.230 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.715 -3.684 17.313 1.00 1.77 C ATOM 1386 NH1 ARG B 39 164.750 -2.879 17.092 1.00 2.06 N ATOM 1387 NH2 ARG B 39 163.937 -4.958 17.626 1.00 2.18 N ATOM 0 H ARG B 39 163.141 2.860 17.389 1.00 0.54 H new ATOM 0 HA ARG B 39 162.234 1.520 19.573 1.00 0.62 H new ATOM 0 HB2 ARG B 39 161.717 0.996 17.198 1.00 0.93 H new ATOM 0 HB3 ARG B 39 163.358 0.440 16.939 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.846 -1.298 18.817 1.00 1.15 H new ATOM 0 HG3 ARG B 39 161.165 -0.879 18.552 1.00 1.15 H new ATOM 0 HD2 ARG B 39 161.102 -1.830 16.442 1.00 1.41 H new ATOM 0 HD3 ARG B 39 162.786 -1.480 16.109 1.00 1.41 H new ATOM 0 HE ARG B 39 161.700 -3.876 17.427 1.00 1.58 H new ATOM 0 HH11 ARG B 39 164.593 -1.899 16.856 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.701 -3.241 17.158 1.00 2.06 H new ATOM 0 HH21 ARG B 39 163.151 -5.584 17.803 1.00 2.18 H new ATOM 0 HH22 ARG B 39 164.893 -5.309 17.689 1.00 2.18 H new ATOM 1401 N VAL B 40 164.275 0.999 20.895 1.00 0.43 N ATOM 1402 CA VAL B 40 165.266 0.421 21.802 1.00 0.56 C ATOM 1403 C VAL B 40 164.616 0.203 23.171 1.00 0.71 C ATOM 1404 O VAL B 40 165.041 0.769 24.181 1.00 1.15 O ATOM 1405 CB VAL B 40 166.515 1.326 21.950 1.00 0.60 C ATOM 1406 CG1 VAL B 40 167.523 0.722 22.922 1.00 1.04 C ATOM 1407 CG2 VAL B 40 167.167 1.558 20.599 1.00 0.65 C ATOM 0 H VAL B 40 163.664 1.683 21.341 1.00 0.43 H new ATOM 0 HA VAL B 40 165.602 -0.528 21.383 1.00 0.56 H new ATOM 0 HB VAL B 40 166.186 2.284 22.353 1.00 0.60 H new ATOM 0 HG11 VAL B 40 168.388 1.380 23.005 1.00 1.04 H new ATOM 0 HG12 VAL B 40 167.060 0.607 23.902 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.843 -0.253 22.555 1.00 1.04 H new ATOM 0 HG21 VAL B 40 168.042 2.196 20.722 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.471 0.602 20.173 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.456 2.043 19.930 1.00 0.65 H new ATOM 1417 N MET B 41 163.557 -0.608 23.183 1.00 0.60 N ATOM 1418 CA MET B 41 162.813 -0.892 24.409 1.00 0.74 C ATOM 1419 C MET B 41 162.876 -2.377 24.765 1.00 0.91 C ATOM 1420 O MET B 41 162.568 -3.215 23.889 1.00 0.91 O ATOM 1421 CB MET B 41 161.343 -0.444 24.277 1.00 0.73 C ATOM 1422 CG MET B 41 161.011 0.303 22.985 1.00 0.74 C ATOM 1423 SD MET B 41 160.620 -0.799 21.609 1.00 0.86 S ATOM 1424 CE MET B 41 159.705 0.305 20.532 1.00 0.70 C ATOM 1425 OXT MET B 41 163.231 -2.690 25.922 1.00 1.13 O ATOM 0 H MET B 41 163.195 -1.080 22.355 1.00 0.60 H new ATOM 0 HA MET B 41 163.282 -0.325 25.213 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.703 -1.324 24.346 1.00 0.73 H new ATOM 0 HB3 MET B 41 161.096 0.197 25.124 1.00 0.73 H new ATOM 0 HG2 MET B 41 160.164 0.966 23.163 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.857 0.933 22.709 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.426 -0.224 19.621 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.805 0.648 21.042 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.327 1.163 20.277 1.00 0.70 H new