USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 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 52 TYR OH : rot 80:sc= 1.15 USER MOD Set 1.2: A 66 HIS : no HD1:sc= 0.497 K(o=1.6,f=-1.8) USER MOD Set 2.1: A 1 MET N :NH3+ -113:sc= 0.306 (180deg=-0.0105) USER MOD Set 2.2: A 10 ASN : amide:sc= -1.45 K(o=-1.1,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0746 (180deg=-0.682) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 150:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.439 X(o=0.44,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.25) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.467 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -4.31! C(o=-4.3!,f=-5.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.085) USER MOD Single : A 55 GLN : amide:sc= -4.3 K(o=-4.3,f=-13!) USER MOD Single : A 56 MET CE :methyl 134:sc= -0.792 (180deg=-1.55!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.196 -4.738 -1.407 1.00 0.90 N ATOM 2 CA MET A 1 -2.328 -5.272 -2.498 1.00 0.83 C ATOM 3 C MET A 1 -3.122 -6.236 -3.386 1.00 0.70 C ATOM 4 O MET A 1 -3.848 -7.083 -2.897 1.00 0.69 O ATOM 5 CB MET A 1 -1.193 -6.014 -1.789 1.00 1.08 C ATOM 6 CG MET A 1 0.023 -6.086 -2.715 1.00 1.32 C ATOM 7 SD MET A 1 0.568 -7.806 -2.868 1.00 1.31 S ATOM 8 CE MET A 1 1.057 -7.741 -4.609 1.00 1.45 C ATOM 0 H1 MET A 1 -3.347 -3.719 -1.551 1.00 0.90 H new ATOM 0 H2 MET A 1 -4.113 -5.229 -1.421 1.00 0.90 H new ATOM 0 H3 MET A 1 -2.734 -4.893 -0.488 1.00 0.90 H new ATOM 0 HA MET A 1 -1.952 -4.478 -3.143 1.00 0.83 H new ATOM 0 HB2 MET A 1 -0.930 -5.501 -0.864 1.00 1.08 H new ATOM 0 HB3 MET A 1 -1.516 -7.019 -1.515 1.00 1.08 H new ATOM 0 HG2 MET A 1 -0.230 -5.685 -3.697 1.00 1.32 H new ATOM 0 HG3 MET A 1 0.831 -5.471 -2.319 1.00 1.32 H new ATOM 0 HE1 MET A 1 1.725 -8.573 -4.830 1.00 1.45 H new ATOM 0 HE2 MET A 1 0.170 -7.810 -5.239 1.00 1.45 H new ATOM 0 HE3 MET A 1 1.570 -6.800 -4.808 1.00 1.45 H new ATOM 17 N ASP A 2 -2.985 -6.108 -4.688 1.00 0.77 N ATOM 18 CA ASP A 2 -3.724 -7.006 -5.636 1.00 0.86 C ATOM 19 C ASP A 2 -5.240 -6.912 -5.403 1.00 0.76 C ATOM 20 O ASP A 2 -5.706 -6.102 -4.623 1.00 0.70 O ATOM 21 CB ASP A 2 -3.212 -8.424 -5.341 1.00 0.95 C ATOM 22 CG ASP A 2 -2.616 -9.028 -6.614 1.00 1.14 C ATOM 23 OD1 ASP A 2 -1.432 -8.839 -6.839 1.00 1.34 O ATOM 24 OD2 ASP A 2 -3.355 -9.673 -7.341 1.00 1.37 O ATOM 0 H ASP A 2 -2.388 -5.414 -5.137 1.00 0.77 H new ATOM 0 HA ASP A 2 -3.553 -6.725 -6.675 1.00 0.86 H new ATOM 0 HB2 ASP A 2 -2.459 -8.393 -4.554 1.00 0.95 H new ATOM 0 HB3 ASP A 2 -4.028 -9.048 -4.977 1.00 0.95 H new ATOM 29 N HIS A 3 -6.010 -7.738 -6.078 1.00 0.83 N ATOM 30 CA HIS A 3 -7.503 -7.711 -5.910 1.00 0.84 C ATOM 31 C HIS A 3 -8.075 -6.350 -6.340 1.00 0.84 C ATOM 32 O HIS A 3 -7.349 -5.440 -6.694 1.00 0.88 O ATOM 33 CB HIS A 3 -7.746 -7.945 -4.412 1.00 0.79 C ATOM 34 CG HIS A 3 -8.579 -9.181 -4.217 1.00 1.30 C ATOM 35 ND1 HIS A 3 -8.028 -10.454 -4.236 1.00 1.92 N ATOM 36 CD2 HIS A 3 -9.923 -9.356 -3.991 1.00 1.89 C ATOM 37 CE1 HIS A 3 -9.027 -11.331 -4.027 1.00 2.43 C ATOM 38 NE2 HIS A 3 -10.203 -10.715 -3.872 1.00 2.44 N ATOM 0 H HIS A 3 -5.667 -8.433 -6.741 1.00 0.83 H new ATOM 0 HA HIS A 3 -7.992 -8.465 -6.526 1.00 0.84 H new ATOM 0 HB2 HIS A 3 -6.794 -8.052 -3.892 1.00 0.79 H new ATOM 0 HB3 HIS A 3 -8.252 -7.083 -3.977 1.00 0.79 H new ATOM 0 HD2 HIS A 3 -10.651 -8.561 -3.917 1.00 1.89 H new ATOM 0 HE1 HIS A 3 -8.895 -12.402 -3.989 1.00 2.43 H new ATOM 0 HE2 HIS A 3 -11.111 -11.148 -3.703 1.00 2.44 H new ATOM 46 N SER A 4 -9.377 -6.205 -6.302 1.00 0.85 N ATOM 47 CA SER A 4 -10.004 -4.903 -6.693 1.00 0.90 C ATOM 48 C SER A 4 -10.343 -4.082 -5.438 1.00 0.88 C ATOM 49 O SER A 4 -10.388 -2.867 -5.479 1.00 0.96 O ATOM 50 CB SER A 4 -11.275 -5.282 -7.456 1.00 1.00 C ATOM 51 OG SER A 4 -11.532 -4.302 -8.453 1.00 1.31 O ATOM 0 H SER A 4 -10.033 -6.932 -6.017 1.00 0.85 H new ATOM 0 HA SER A 4 -9.339 -4.290 -7.301 1.00 0.90 H new ATOM 0 HB2 SER A 4 -11.158 -6.264 -7.916 1.00 1.00 H new ATOM 0 HB3 SER A 4 -12.119 -5.350 -6.770 1.00 1.00 H new ATOM 0 HG SER A 4 -12.345 -4.542 -8.946 1.00 1.31 H new ATOM 57 N LEU A 5 -10.576 -4.739 -4.323 1.00 0.87 N ATOM 58 CA LEU A 5 -10.906 -4.005 -3.061 1.00 0.92 C ATOM 59 C LEU A 5 -9.638 -3.811 -2.218 1.00 0.80 C ATOM 60 O LEU A 5 -9.416 -2.756 -1.652 1.00 0.85 O ATOM 61 CB LEU A 5 -11.908 -4.900 -2.312 1.00 1.05 C ATOM 62 CG LEU A 5 -13.023 -5.372 -3.257 1.00 1.15 C ATOM 63 CD1 LEU A 5 -14.034 -6.214 -2.473 1.00 1.37 C ATOM 64 CD2 LEU A 5 -13.738 -4.160 -3.865 1.00 1.31 C ATOM 0 H LEU A 5 -10.551 -5.755 -4.235 1.00 0.87 H new ATOM 0 HA LEU A 5 -11.319 -3.017 -3.263 1.00 0.92 H new ATOM 0 HB2 LEU A 5 -11.390 -5.763 -1.892 1.00 1.05 H new ATOM 0 HB3 LEU A 5 -12.341 -4.350 -1.476 1.00 1.05 H new ATOM 0 HG LEU A 5 -12.585 -5.971 -4.055 1.00 1.15 H new ATOM 0 HD11 LEU A 5 -14.826 -6.549 -3.143 1.00 1.37 H new ATOM 0 HD12 LEU A 5 -13.531 -7.080 -2.044 1.00 1.37 H new ATOM 0 HD13 LEU A 5 -14.466 -5.612 -1.673 1.00 1.37 H new ATOM 0 HD21 LEU A 5 -14.528 -4.501 -4.534 1.00 1.31 H new ATOM 0 HD22 LEU A 5 -14.173 -3.557 -3.068 1.00 1.31 H new ATOM 0 HD23 LEU A 5 -13.022 -3.559 -4.425 1.00 1.31 H new ATOM 76 N ASN A 6 -8.806 -4.825 -2.133 1.00 0.71 N ATOM 77 CA ASN A 6 -7.547 -4.715 -1.324 1.00 0.65 C ATOM 78 C ASN A 6 -6.608 -3.665 -1.930 1.00 0.53 C ATOM 79 O ASN A 6 -6.119 -2.793 -1.235 1.00 0.49 O ATOM 80 CB ASN A 6 -6.904 -6.107 -1.387 1.00 0.71 C ATOM 81 CG ASN A 6 -6.736 -6.664 0.028 1.00 1.22 C ATOM 82 OD1 ASN A 6 -5.853 -6.255 0.756 1.00 1.88 O ATOM 83 ND2 ASN A 6 -7.549 -7.592 0.449 1.00 1.62 N ATOM 0 H ASN A 6 -8.945 -5.726 -2.590 1.00 0.71 H new ATOM 0 HA ASN A 6 -7.749 -4.404 -0.299 1.00 0.65 H new ATOM 0 HB2 ASN A 6 -7.525 -6.778 -1.981 1.00 0.71 H new ATOM 0 HB3 ASN A 6 -5.935 -6.048 -1.882 1.00 0.71 H new ATOM 0 HD21 ASN A 6 -7.444 -7.974 1.389 1.00 1.62 H new ATOM 0 HD22 ASN A 6 -8.290 -7.936 -0.161 1.00 1.62 H new ATOM 90 N SER A 7 -6.351 -3.742 -3.216 1.00 0.55 N ATOM 91 CA SER A 7 -5.441 -2.746 -3.867 1.00 0.51 C ATOM 92 C SER A 7 -6.024 -1.333 -3.752 1.00 0.47 C ATOM 93 O SER A 7 -5.327 -0.400 -3.413 1.00 0.47 O ATOM 94 CB SER A 7 -5.352 -3.168 -5.337 1.00 0.60 C ATOM 95 OG SER A 7 -4.002 -3.471 -5.659 1.00 0.71 O ATOM 0 H SER A 7 -6.732 -4.452 -3.842 1.00 0.55 H new ATOM 0 HA SER A 7 -4.460 -2.726 -3.392 1.00 0.51 H new ATOM 0 HB2 SER A 7 -5.984 -4.038 -5.516 1.00 0.60 H new ATOM 0 HB3 SER A 7 -5.720 -2.368 -5.980 1.00 0.60 H new ATOM 0 HG SER A 7 -3.979 -4.156 -6.360 1.00 0.71 H new ATOM 101 N LEU A 8 -7.297 -1.175 -4.036 1.00 0.53 N ATOM 102 CA LEU A 8 -7.935 0.179 -3.951 1.00 0.51 C ATOM 103 C LEU A 8 -7.815 0.761 -2.534 1.00 0.46 C ATOM 104 O LEU A 8 -7.661 1.957 -2.364 1.00 0.48 O ATOM 105 CB LEU A 8 -9.406 -0.047 -4.309 1.00 0.57 C ATOM 106 CG LEU A 8 -10.021 1.263 -4.808 1.00 0.64 C ATOM 107 CD1 LEU A 8 -10.157 1.217 -6.331 1.00 1.02 C ATOM 108 CD2 LEU A 8 -11.402 1.453 -4.177 1.00 0.96 C ATOM 0 H LEU A 8 -7.923 -1.928 -4.324 1.00 0.53 H new ATOM 0 HA LEU A 8 -7.451 0.891 -4.620 1.00 0.51 H new ATOM 0 HB2 LEU A 8 -9.490 -0.815 -5.077 1.00 0.57 H new ATOM 0 HB3 LEU A 8 -9.952 -0.408 -3.437 1.00 0.57 H new ATOM 0 HG LEU A 8 -9.376 2.096 -4.527 1.00 0.64 H new ATOM 0 HD11 LEU A 8 -10.595 2.150 -6.686 1.00 1.02 H new ATOM 0 HD12 LEU A 8 -9.173 1.084 -6.780 1.00 1.02 H new ATOM 0 HD13 LEU A 8 -10.800 0.384 -6.614 1.00 1.02 H new ATOM 0 HD21 LEU A 8 -11.839 2.386 -4.533 1.00 0.96 H new ATOM 0 HD22 LEU A 8 -12.047 0.620 -4.456 1.00 0.96 H new ATOM 0 HD23 LEU A 8 -11.304 1.489 -3.092 1.00 0.96 H new ATOM 120 N ASN A 9 -7.887 -0.070 -1.519 1.00 0.46 N ATOM 121 CA ASN A 9 -7.781 0.438 -0.113 1.00 0.45 C ATOM 122 C ASN A 9 -6.431 1.138 0.105 1.00 0.39 C ATOM 123 O ASN A 9 -6.380 2.264 0.564 1.00 0.43 O ATOM 124 CB ASN A 9 -7.893 -0.802 0.782 1.00 0.52 C ATOM 125 CG ASN A 9 -9.270 -0.828 1.450 1.00 0.89 C ATOM 126 OD1 ASN A 9 -9.527 -0.075 2.369 1.00 1.45 O ATOM 127 ND2 ASN A 9 -10.172 -1.669 1.027 1.00 1.17 N ATOM 0 H ASN A 9 -8.015 -1.078 -1.604 1.00 0.46 H new ATOM 0 HA ASN A 9 -8.558 1.169 0.112 1.00 0.45 H new ATOM 0 HB2 ASN A 9 -7.748 -1.705 0.190 1.00 0.52 H new ATOM 0 HB3 ASN A 9 -7.110 -0.788 1.540 1.00 0.52 H new ATOM 0 HD21 ASN A 9 -11.092 -1.694 1.467 1.00 1.17 H new ATOM 0 HD22 ASN A 9 -9.958 -2.301 0.256 1.00 1.17 H new ATOM 134 N ASN A 10 -5.341 0.483 -0.223 1.00 0.36 N ATOM 135 CA ASN A 10 -3.998 1.120 -0.032 1.00 0.34 C ATOM 136 C ASN A 10 -3.698 2.118 -1.164 1.00 0.30 C ATOM 137 O ASN A 10 -2.866 2.987 -1.016 1.00 0.37 O ATOM 138 CB ASN A 10 -2.982 -0.035 -0.033 1.00 0.38 C ATOM 139 CG ASN A 10 -2.920 -0.698 -1.415 1.00 0.41 C ATOM 140 OD1 ASN A 10 -3.556 -1.704 -1.644 1.00 0.52 O ATOM 141 ND2 ASN A 10 -2.168 -0.176 -2.349 1.00 0.45 N ATOM 0 H ASN A 10 -5.323 -0.460 -0.612 1.00 0.36 H new ATOM 0 HA ASN A 10 -3.954 1.687 0.898 1.00 0.34 H new ATOM 0 HB2 ASN A 10 -1.996 0.341 0.241 1.00 0.38 H new ATOM 0 HB3 ASN A 10 -3.262 -0.773 0.718 1.00 0.38 H new ATOM 0 HD21 ASN A 10 -2.118 -0.615 -3.268 1.00 0.45 H new ATOM 0 HD22 ASN A 10 -1.632 0.671 -2.158 1.00 0.45 H new ATOM 148 N PHE A 11 -4.363 2.007 -2.288 1.00 0.30 N ATOM 149 CA PHE A 11 -4.097 2.963 -3.408 1.00 0.30 C ATOM 150 C PHE A 11 -4.692 4.344 -3.102 1.00 0.30 C ATOM 151 O PHE A 11 -4.196 5.347 -3.569 1.00 0.37 O ATOM 152 CB PHE A 11 -4.768 2.356 -4.645 1.00 0.34 C ATOM 153 CG PHE A 11 -3.720 2.085 -5.700 1.00 0.27 C ATOM 154 CD1 PHE A 11 -3.067 3.155 -6.327 1.00 0.33 C ATOM 155 CD2 PHE A 11 -3.401 0.767 -6.050 1.00 0.37 C ATOM 156 CE1 PHE A 11 -2.096 2.906 -7.303 1.00 0.39 C ATOM 157 CE2 PHE A 11 -2.429 0.520 -7.027 1.00 0.42 C ATOM 158 CZ PHE A 11 -1.777 1.589 -7.653 1.00 0.40 C ATOM 0 H PHE A 11 -5.074 1.301 -2.478 1.00 0.30 H new ATOM 0 HA PHE A 11 -3.027 3.107 -3.558 1.00 0.30 H new ATOM 0 HB2 PHE A 11 -5.280 1.431 -4.378 1.00 0.34 H new ATOM 0 HB3 PHE A 11 -5.524 3.038 -5.034 1.00 0.34 H new ATOM 0 HD1 PHE A 11 -3.313 4.171 -6.057 1.00 0.33 H new ATOM 0 HD2 PHE A 11 -3.904 -0.058 -5.567 1.00 0.37 H new ATOM 0 HE1 PHE A 11 -1.593 3.730 -7.786 1.00 0.39 H new ATOM 0 HE2 PHE A 11 -2.182 -0.496 -7.298 1.00 0.42 H new ATOM 0 HZ PHE A 11 -1.027 1.397 -8.406 1.00 0.40 H new ATOM 168 N ASP A 12 -5.750 4.405 -2.329 1.00 0.31 N ATOM 169 CA ASP A 12 -6.373 5.729 -2.007 1.00 0.33 C ATOM 170 C ASP A 12 -5.730 6.349 -0.758 1.00 0.30 C ATOM 171 O ASP A 12 -5.254 7.470 -0.790 1.00 0.31 O ATOM 172 CB ASP A 12 -7.853 5.423 -1.753 1.00 0.40 C ATOM 173 CG ASP A 12 -8.682 5.866 -2.959 1.00 0.92 C ATOM 174 OD1 ASP A 12 -8.816 5.079 -3.882 1.00 1.48 O ATOM 175 OD2 ASP A 12 -9.173 6.982 -2.938 1.00 1.36 O ATOM 0 H ASP A 12 -6.209 3.597 -1.908 1.00 0.31 H new ATOM 0 HA ASP A 12 -6.234 6.447 -2.815 1.00 0.33 H new ATOM 0 HB2 ASP A 12 -7.989 4.356 -1.577 1.00 0.40 H new ATOM 0 HB3 ASP A 12 -8.193 5.940 -0.856 1.00 0.40 H new ATOM 180 N PHE A 13 -5.721 5.632 0.341 1.00 0.29 N ATOM 181 CA PHE A 13 -5.120 6.181 1.599 1.00 0.29 C ATOM 182 C PHE A 13 -3.607 6.395 1.422 1.00 0.26 C ATOM 183 O PHE A 13 -3.071 7.421 1.810 1.00 0.29 O ATOM 184 CB PHE A 13 -5.458 5.137 2.687 1.00 0.34 C ATOM 185 CG PHE A 13 -4.216 4.586 3.363 1.00 0.31 C ATOM 186 CD1 PHE A 13 -3.470 5.387 4.239 1.00 0.37 C ATOM 187 CD2 PHE A 13 -3.828 3.259 3.131 1.00 0.35 C ATOM 188 CE1 PHE A 13 -2.342 4.864 4.879 1.00 0.41 C ATOM 189 CE2 PHE A 13 -2.697 2.739 3.769 1.00 0.38 C ATOM 190 CZ PHE A 13 -1.955 3.540 4.643 1.00 0.40 C ATOM 0 H PHE A 13 -6.104 4.690 0.421 1.00 0.29 H new ATOM 0 HA PHE A 13 -5.514 7.160 1.871 1.00 0.29 H new ATOM 0 HB2 PHE A 13 -6.105 5.593 3.437 1.00 0.34 H new ATOM 0 HB3 PHE A 13 -6.019 4.317 2.239 1.00 0.34 H new ATOM 0 HD1 PHE A 13 -3.767 6.410 4.420 1.00 0.37 H new ATOM 0 HD2 PHE A 13 -4.402 2.638 2.460 1.00 0.35 H new ATOM 0 HE1 PHE A 13 -1.770 5.482 5.555 1.00 0.41 H new ATOM 0 HE2 PHE A 13 -2.396 1.718 3.586 1.00 0.38 H new ATOM 0 HZ PHE A 13 -1.083 3.137 5.136 1.00 0.40 H new ATOM 200 N LEU A 14 -2.915 5.456 0.830 1.00 0.24 N ATOM 201 CA LEU A 14 -1.448 5.646 0.640 1.00 0.23 C ATOM 202 C LEU A 14 -1.176 6.607 -0.523 1.00 0.22 C ATOM 203 O LEU A 14 -0.141 7.222 -0.565 1.00 0.24 O ATOM 204 CB LEU A 14 -0.865 4.261 0.342 1.00 0.24 C ATOM 205 CG LEU A 14 0.448 4.044 1.121 1.00 0.27 C ATOM 206 CD1 LEU A 14 1.183 5.370 1.346 1.00 0.32 C ATOM 207 CD2 LEU A 14 0.122 3.411 2.474 1.00 0.39 C ATOM 0 H LEU A 14 -3.296 4.579 0.475 1.00 0.24 H new ATOM 0 HA LEU A 14 -0.990 6.081 1.528 1.00 0.23 H new ATOM 0 HB2 LEU A 14 -1.587 3.491 0.614 1.00 0.24 H new ATOM 0 HB3 LEU A 14 -0.680 4.161 -0.728 1.00 0.24 H new ATOM 0 HG LEU A 14 1.096 3.389 0.538 1.00 0.27 H new ATOM 0 HD11 LEU A 14 2.105 5.186 1.898 1.00 0.32 H new ATOM 0 HD12 LEU A 14 1.420 5.822 0.383 1.00 0.32 H new ATOM 0 HD13 LEU A 14 0.547 6.046 1.918 1.00 0.32 H new ATOM 0 HD21 LEU A 14 1.044 3.253 3.033 1.00 0.39 H new ATOM 0 HD22 LEU A 14 -0.535 4.074 3.037 1.00 0.39 H new ATOM 0 HD23 LEU A 14 -0.376 2.454 2.317 1.00 0.39 H new ATOM 219 N ALA A 15 -2.083 6.754 -1.465 1.00 0.24 N ATOM 220 CA ALA A 15 -1.822 7.703 -2.599 1.00 0.26 C ATOM 221 C ALA A 15 -1.388 9.069 -2.048 1.00 0.28 C ATOM 222 O ALA A 15 -0.360 9.604 -2.430 1.00 0.33 O ATOM 223 CB ALA A 15 -3.149 7.833 -3.352 1.00 0.29 C ATOM 0 H ALA A 15 -2.978 6.267 -1.498 1.00 0.24 H new ATOM 0 HA ALA A 15 -1.027 7.344 -3.252 1.00 0.26 H new ATOM 0 HB1 ALA A 15 -3.025 8.514 -4.194 1.00 0.29 H new ATOM 0 HB2 ALA A 15 -3.456 6.854 -3.720 1.00 0.29 H new ATOM 0 HB3 ALA A 15 -3.912 8.223 -2.679 1.00 0.29 H new ATOM 229 N ARG A 16 -2.156 9.627 -1.139 1.00 0.29 N ATOM 230 CA ARG A 16 -1.781 10.952 -0.550 1.00 0.33 C ATOM 231 C ARG A 16 -0.560 10.801 0.375 1.00 0.30 C ATOM 232 O ARG A 16 0.222 11.722 0.526 1.00 0.35 O ATOM 233 CB ARG A 16 -3.022 11.435 0.223 1.00 0.38 C ATOM 234 CG ARG A 16 -3.217 10.622 1.511 1.00 0.42 C ATOM 235 CD ARG A 16 -4.615 9.993 1.520 1.00 0.58 C ATOM 236 NE ARG A 16 -5.542 11.097 1.897 1.00 0.88 N ATOM 237 CZ ARG A 16 -6.661 11.263 1.243 1.00 1.24 C ATOM 238 NH1 ARG A 16 -7.746 10.653 1.643 1.00 1.53 N ATOM 239 NH2 ARG A 16 -6.694 12.037 0.191 1.00 1.70 N ATOM 0 H ARG A 16 -3.022 9.223 -0.782 1.00 0.29 H new ATOM 0 HA ARG A 16 -1.497 11.674 -1.316 1.00 0.33 H new ATOM 0 HB2 ARG A 16 -2.914 12.492 0.468 1.00 0.38 H new ATOM 0 HB3 ARG A 16 -3.906 11.343 -0.407 1.00 0.38 H new ATOM 0 HG2 ARG A 16 -2.457 9.843 1.579 1.00 0.42 H new ATOM 0 HG3 ARG A 16 -3.092 11.266 2.381 1.00 0.42 H new ATOM 0 HD2 ARG A 16 -4.868 9.584 0.542 1.00 0.58 H new ATOM 0 HD3 ARG A 16 -4.672 9.171 2.234 1.00 0.58 H new ATOM 0 HE ARG A 16 -5.303 11.723 2.666 1.00 0.88 H new ATOM 0 HH11 ARG A 16 -7.718 10.049 2.464 1.00 1.53 H new ATOM 0 HH12 ARG A 16 -8.620 10.781 1.134 1.00 1.53 H new ATOM 0 HH21 ARG A 16 -5.846 12.512 -0.120 1.00 1.70 H new ATOM 0 HH22 ARG A 16 -7.567 12.167 -0.320 1.00 1.70 H new ATOM 253 N SER A 17 -0.382 9.649 0.985 1.00 0.26 N ATOM 254 CA SER A 17 0.799 9.452 1.885 1.00 0.26 C ATOM 255 C SER A 17 2.056 9.105 1.066 1.00 0.26 C ATOM 256 O SER A 17 3.160 9.393 1.479 1.00 0.33 O ATOM 257 CB SER A 17 0.421 8.291 2.805 1.00 0.28 C ATOM 258 OG SER A 17 0.309 8.768 4.138 1.00 0.89 O ATOM 0 H SER A 17 -1.001 8.843 0.898 1.00 0.26 H new ATOM 0 HA SER A 17 1.032 10.356 2.448 1.00 0.26 H new ATOM 0 HB2 SER A 17 -0.522 7.849 2.484 1.00 0.28 H new ATOM 0 HB3 SER A 17 1.176 7.507 2.749 1.00 0.28 H new ATOM 0 HG SER A 17 0.065 8.027 4.731 1.00 0.89 H new ATOM 264 N PHE A 18 1.895 8.497 -0.089 1.00 0.24 N ATOM 265 CA PHE A 18 3.081 8.138 -0.933 1.00 0.25 C ATOM 266 C PHE A 18 3.847 9.411 -1.304 1.00 0.27 C ATOM 267 O PHE A 18 5.041 9.508 -1.096 1.00 0.32 O ATOM 268 CB PHE A 18 2.514 7.476 -2.196 1.00 0.25 C ATOM 269 CG PHE A 18 2.516 5.973 -2.033 1.00 0.24 C ATOM 270 CD1 PHE A 18 3.711 5.293 -1.762 1.00 0.31 C ATOM 271 CD2 PHE A 18 1.321 5.259 -2.148 1.00 0.23 C ATOM 272 CE1 PHE A 18 3.708 3.900 -1.607 1.00 0.34 C ATOM 273 CE2 PHE A 18 1.318 3.869 -1.993 1.00 0.25 C ATOM 274 CZ PHE A 18 2.507 3.188 -1.723 1.00 0.29 C ATOM 0 H PHE A 18 0.992 8.234 -0.483 1.00 0.24 H new ATOM 0 HA PHE A 18 3.768 7.473 -0.410 1.00 0.25 H new ATOM 0 HB2 PHE A 18 1.499 7.830 -2.378 1.00 0.25 H new ATOM 0 HB3 PHE A 18 3.110 7.757 -3.064 1.00 0.25 H new ATOM 0 HD1 PHE A 18 4.636 5.843 -1.672 1.00 0.31 H new ATOM 0 HD2 PHE A 18 0.399 5.781 -2.357 1.00 0.23 H new ATOM 0 HE1 PHE A 18 4.629 3.377 -1.399 1.00 0.34 H new ATOM 0 HE2 PHE A 18 0.392 3.320 -2.082 1.00 0.25 H new ATOM 0 HZ PHE A 18 2.501 2.115 -1.604 1.00 0.29 H new ATOM 284 N ALA A 19 3.155 10.395 -1.838 1.00 0.27 N ATOM 285 CA ALA A 19 3.830 11.679 -2.206 1.00 0.30 C ATOM 286 C ALA A 19 4.304 12.402 -0.937 1.00 0.30 C ATOM 287 O ALA A 19 5.334 13.048 -0.936 1.00 0.34 O ATOM 288 CB ALA A 19 2.763 12.508 -2.926 1.00 0.33 C ATOM 0 H ALA A 19 2.154 10.361 -2.033 1.00 0.27 H new ATOM 0 HA ALA A 19 4.706 11.518 -2.834 1.00 0.30 H new ATOM 0 HB1 ALA A 19 3.188 13.466 -3.226 1.00 0.33 H new ATOM 0 HB2 ALA A 19 2.420 11.971 -3.810 1.00 0.33 H new ATOM 0 HB3 ALA A 19 1.921 12.678 -2.255 1.00 0.33 H new ATOM 294 N ARG A 20 3.564 12.285 0.144 1.00 0.30 N ATOM 295 CA ARG A 20 3.971 12.951 1.420 1.00 0.32 C ATOM 296 C ARG A 20 5.238 12.285 1.975 1.00 0.32 C ATOM 297 O ARG A 20 6.161 12.950 2.402 1.00 0.37 O ATOM 298 CB ARG A 20 2.792 12.745 2.382 1.00 0.36 C ATOM 299 CG ARG A 20 2.780 13.868 3.426 1.00 0.56 C ATOM 300 CD ARG A 20 1.760 13.541 4.527 1.00 0.73 C ATOM 301 NE ARG A 20 2.440 12.542 5.402 1.00 0.95 N ATOM 302 CZ ARG A 20 2.510 12.734 6.694 1.00 1.69 C ATOM 303 NH1 ARG A 20 3.428 13.522 7.185 1.00 2.69 N ATOM 304 NH2 ARG A 20 1.664 12.140 7.495 1.00 1.93 N ATOM 0 H ARG A 20 2.694 11.755 0.194 1.00 0.30 H new ATOM 0 HA ARG A 20 4.195 14.008 1.279 1.00 0.32 H new ATOM 0 HB2 ARG A 20 1.853 12.740 1.828 1.00 0.36 H new ATOM 0 HB3 ARG A 20 2.876 11.777 2.875 1.00 0.36 H new ATOM 0 HG2 ARG A 20 3.773 13.985 3.860 1.00 0.56 H new ATOM 0 HG3 ARG A 20 2.526 14.816 2.952 1.00 0.56 H new ATOM 0 HD2 ARG A 20 1.485 14.434 5.088 1.00 0.73 H new ATOM 0 HD3 ARG A 20 0.841 13.135 4.105 1.00 0.73 H new ATOM 0 HE ARG A 20 2.853 11.705 4.991 1.00 0.95 H new ATOM 0 HH11 ARG A 20 4.088 13.986 6.561 1.00 2.69 H new ATOM 0 HH12 ARG A 20 3.485 13.673 8.192 1.00 2.69 H new ATOM 0 HH21 ARG A 20 0.946 11.524 7.113 1.00 1.93 H new ATOM 0 HH22 ARG A 20 1.722 12.292 8.502 1.00 1.93 H new ATOM 318 N MET A 21 5.285 10.973 1.956 1.00 0.32 N ATOM 319 CA MET A 21 6.489 10.242 2.466 1.00 0.33 C ATOM 320 C MET A 21 7.711 10.529 1.578 1.00 0.34 C ATOM 321 O MET A 21 8.838 10.356 1.997 1.00 0.41 O ATOM 322 CB MET A 21 6.116 8.757 2.397 1.00 0.36 C ATOM 323 CG MET A 21 5.098 8.425 3.495 1.00 0.42 C ATOM 324 SD MET A 21 5.771 7.135 4.571 1.00 0.51 S ATOM 325 CE MET A 21 4.225 6.700 5.403 1.00 0.86 C ATOM 0 H MET A 21 4.536 10.374 1.607 1.00 0.32 H new ATOM 0 HA MET A 21 6.754 10.551 3.477 1.00 0.33 H new ATOM 0 HB2 MET A 21 5.698 8.523 1.418 1.00 0.36 H new ATOM 0 HB3 MET A 21 7.008 8.143 2.518 1.00 0.36 H new ATOM 0 HG2 MET A 21 4.871 9.318 4.078 1.00 0.42 H new ATOM 0 HG3 MET A 21 4.162 8.089 3.049 1.00 0.42 H new ATOM 0 HE1 MET A 21 4.412 5.906 6.126 1.00 0.86 H new ATOM 0 HE2 MET A 21 3.831 7.575 5.919 1.00 0.86 H new ATOM 0 HE3 MET A 21 3.499 6.356 4.666 1.00 0.86 H new ATOM 335 N HIS A 22 7.495 10.968 0.358 1.00 0.32 N ATOM 336 CA HIS A 22 8.641 11.273 -0.557 1.00 0.36 C ATOM 337 C HIS A 22 9.438 12.482 -0.044 1.00 0.39 C ATOM 338 O HIS A 22 10.652 12.505 -0.116 1.00 0.46 O ATOM 339 CB HIS A 22 7.996 11.589 -1.908 1.00 0.38 C ATOM 340 CG HIS A 22 9.054 11.660 -2.974 1.00 0.41 C ATOM 341 ND1 HIS A 22 9.724 12.836 -3.274 1.00 0.80 N ATOM 342 CD2 HIS A 22 9.569 10.709 -3.819 1.00 0.40 C ATOM 343 CE1 HIS A 22 10.595 12.565 -4.262 1.00 0.78 C ATOM 344 NE2 HIS A 22 10.542 11.283 -4.633 1.00 0.50 N ATOM 0 H HIS A 22 6.571 11.128 -0.043 1.00 0.32 H new ATOM 0 HA HIS A 22 9.344 10.442 -0.622 1.00 0.36 H new ATOM 0 HB2 HIS A 22 7.264 10.822 -2.160 1.00 0.38 H new ATOM 0 HB3 HIS A 22 7.459 12.536 -1.852 1.00 0.38 H new ATOM 0 HD2 HIS A 22 9.266 9.673 -3.848 1.00 0.40 H new ATOM 0 HE1 HIS A 22 11.257 13.296 -4.702 1.00 0.78 H new ATOM 0 HE2 HIS A 22 11.095 10.824 -5.357 1.00 0.50 H new ATOM 352 N ALA A 23 8.763 13.485 0.467 1.00 0.41 N ATOM 353 CA ALA A 23 9.478 14.697 0.980 1.00 0.48 C ATOM 354 C ALA A 23 10.184 14.402 2.313 1.00 0.45 C ATOM 355 O ALA A 23 11.250 14.923 2.581 1.00 0.56 O ATOM 356 CB ALA A 23 8.384 15.751 1.177 1.00 0.60 C ATOM 0 H ALA A 23 7.747 13.516 0.551 1.00 0.41 H new ATOM 0 HA ALA A 23 10.253 15.028 0.289 1.00 0.48 H new ATOM 0 HB1 ALA A 23 8.830 16.672 1.553 1.00 0.60 H new ATOM 0 HB2 ALA A 23 7.893 15.948 0.224 1.00 0.60 H new ATOM 0 HB3 ALA A 23 7.650 15.384 1.895 1.00 0.60 H new ATOM 362 N GLU A 24 9.600 13.576 3.152 1.00 0.44 N ATOM 363 CA GLU A 24 10.247 13.260 4.468 1.00 0.50 C ATOM 364 C GLU A 24 11.266 12.120 4.323 1.00 0.45 C ATOM 365 O GLU A 24 12.215 12.032 5.081 1.00 0.55 O ATOM 366 CB GLU A 24 9.098 12.830 5.384 1.00 0.59 C ATOM 367 CG GLU A 24 8.381 14.069 5.928 1.00 0.70 C ATOM 368 CD GLU A 24 7.216 13.632 6.818 1.00 1.65 C ATOM 369 OE1 GLU A 24 6.183 13.280 6.273 1.00 2.39 O ATOM 370 OE2 GLU A 24 7.375 13.656 8.026 1.00 2.30 O ATOM 0 H GLU A 24 8.709 13.110 2.984 1.00 0.44 H new ATOM 0 HA GLU A 24 10.794 14.117 4.862 1.00 0.50 H new ATOM 0 HB2 GLU A 24 8.396 12.204 4.833 1.00 0.59 H new ATOM 0 HB3 GLU A 24 9.482 12.229 6.208 1.00 0.59 H new ATOM 0 HG2 GLU A 24 9.077 14.685 6.498 1.00 0.70 H new ATOM 0 HG3 GLU A 24 8.014 14.681 5.104 1.00 0.70 H new ATOM 377 N GLY A 25 11.076 11.246 3.364 1.00 0.36 N ATOM 378 CA GLY A 25 12.029 10.110 3.178 1.00 0.37 C ATOM 379 C GLY A 25 11.616 8.944 4.083 1.00 0.36 C ATOM 380 O GLY A 25 12.451 8.259 4.644 1.00 0.48 O ATOM 0 H GLY A 25 10.301 11.272 2.702 1.00 0.36 H new ATOM 0 HA2 GLY A 25 12.033 9.792 2.136 1.00 0.37 H new ATOM 0 HA3 GLY A 25 13.043 10.429 3.418 1.00 0.37 H new ATOM 384 N ARG A 26 10.332 8.716 4.228 1.00 0.32 N ATOM 385 CA ARG A 26 9.851 7.595 5.095 1.00 0.35 C ATOM 386 C ARG A 26 9.534 6.362 4.238 1.00 0.30 C ATOM 387 O ARG A 26 9.331 6.480 3.044 1.00 0.28 O ATOM 388 CB ARG A 26 8.580 8.128 5.763 1.00 0.40 C ATOM 389 CG ARG A 26 8.955 8.959 6.994 1.00 0.60 C ATOM 390 CD ARG A 26 7.780 8.979 7.978 1.00 0.73 C ATOM 391 NE ARG A 26 7.134 10.309 7.790 1.00 0.80 N ATOM 392 CZ ARG A 26 5.852 10.388 7.555 1.00 0.90 C ATOM 393 NH1 ARG A 26 5.410 10.354 6.327 1.00 1.16 N ATOM 394 NH2 ARG A 26 5.012 10.505 8.549 1.00 1.42 N ATOM 0 H ARG A 26 9.594 9.261 3.781 1.00 0.32 H new ATOM 0 HA ARG A 26 10.598 7.288 5.828 1.00 0.35 H new ATOM 0 HB2 ARG A 26 8.015 8.738 5.058 1.00 0.40 H new ATOM 0 HB3 ARG A 26 7.935 7.299 6.054 1.00 0.40 H new ATOM 0 HG2 ARG A 26 9.838 8.538 7.475 1.00 0.60 H new ATOM 0 HG3 ARG A 26 9.210 9.976 6.695 1.00 0.60 H new ATOM 0 HD2 ARG A 26 7.080 8.169 7.772 1.00 0.73 H new ATOM 0 HD3 ARG A 26 8.124 8.850 9.004 1.00 0.73 H new ATOM 0 HE ARG A 26 7.695 11.159 7.845 1.00 0.80 H new ATOM 0 HH11 ARG A 26 6.066 10.266 5.551 1.00 1.16 H new ATOM 0 HH12 ARG A 26 4.409 10.416 6.144 1.00 1.16 H new ATOM 0 HH21 ARG A 26 5.358 10.535 9.508 1.00 1.42 H new ATOM 0 HH22 ARG A 26 4.010 10.567 8.366 1.00 1.42 H new ATOM 408 N PRO A 27 9.508 5.214 4.875 1.00 0.31 N ATOM 409 CA PRO A 27 9.217 3.947 4.152 1.00 0.31 C ATOM 410 C PRO A 27 7.749 3.886 3.710 1.00 0.30 C ATOM 411 O PRO A 27 6.840 4.111 4.487 1.00 0.34 O ATOM 412 CB PRO A 27 9.548 2.864 5.176 1.00 0.38 C ATOM 413 CG PRO A 27 9.402 3.529 6.505 1.00 0.43 C ATOM 414 CD PRO A 27 9.735 4.986 6.309 1.00 0.39 C ATOM 0 HA PRO A 27 9.793 3.838 3.233 1.00 0.31 H new ATOM 0 HB2 PRO A 27 8.872 2.014 5.084 1.00 0.38 H new ATOM 0 HB3 PRO A 27 10.559 2.483 5.034 1.00 0.38 H new ATOM 0 HG2 PRO A 27 8.387 3.413 6.884 1.00 0.43 H new ATOM 0 HG3 PRO A 27 10.070 3.076 7.238 1.00 0.43 H new ATOM 0 HD2 PRO A 27 9.099 5.626 6.920 1.00 0.39 H new ATOM 0 HD3 PRO A 27 10.766 5.201 6.589 1.00 0.39 H new ATOM 422 N VAL A 28 7.530 3.586 2.456 1.00 0.29 N ATOM 423 CA VAL A 28 6.143 3.500 1.900 1.00 0.30 C ATOM 424 C VAL A 28 6.036 2.221 1.069 1.00 0.30 C ATOM 425 O VAL A 28 6.837 1.991 0.183 1.00 0.36 O ATOM 426 CB VAL A 28 5.970 4.745 1.006 1.00 0.28 C ATOM 427 CG1 VAL A 28 4.530 5.235 1.089 1.00 0.32 C ATOM 428 CG2 VAL A 28 6.889 5.882 1.468 1.00 0.29 C ATOM 0 H VAL A 28 8.268 3.393 1.779 1.00 0.29 H new ATOM 0 HA VAL A 28 5.376 3.471 2.674 1.00 0.30 H new ATOM 0 HB VAL A 28 6.225 4.465 -0.016 1.00 0.28 H new ATOM 0 HG11 VAL A 28 4.408 6.115 0.457 1.00 0.32 H new ATOM 0 HG12 VAL A 28 3.858 4.448 0.748 1.00 0.32 H new ATOM 0 HG13 VAL A 28 4.293 5.494 2.121 1.00 0.32 H new ATOM 0 HG21 VAL A 28 6.749 6.749 0.822 1.00 0.29 H new ATOM 0 HG22 VAL A 28 6.645 6.152 2.496 1.00 0.29 H new ATOM 0 HG23 VAL A 28 7.927 5.555 1.415 1.00 0.29 H new ATOM 438 N ASP A 29 5.080 1.373 1.356 1.00 0.31 N ATOM 439 CA ASP A 29 4.971 0.097 0.582 1.00 0.32 C ATOM 440 C ASP A 29 4.507 0.366 -0.856 1.00 0.31 C ATOM 441 O ASP A 29 3.329 0.286 -1.178 1.00 0.31 O ATOM 442 CB ASP A 29 3.938 -0.746 1.339 1.00 0.36 C ATOM 443 CG ASP A 29 4.231 -2.233 1.118 1.00 0.41 C ATOM 444 OD1 ASP A 29 3.888 -2.733 0.059 1.00 0.49 O ATOM 445 OD2 ASP A 29 4.794 -2.846 2.010 1.00 0.52 O ATOM 0 H ASP A 29 4.378 1.506 2.084 1.00 0.31 H new ATOM 0 HA ASP A 29 5.932 -0.412 0.503 1.00 0.32 H new ATOM 0 HB2 ASP A 29 3.972 -0.512 2.403 1.00 0.36 H new ATOM 0 HB3 ASP A 29 2.933 -0.507 0.992 1.00 0.36 H new ATOM 450 N ILE A 30 5.436 0.639 -1.741 1.00 0.30 N ATOM 451 CA ILE A 30 5.052 0.870 -3.161 1.00 0.30 C ATOM 452 C ILE A 30 4.537 -0.444 -3.745 1.00 0.30 C ATOM 453 O ILE A 30 3.672 -0.448 -4.594 1.00 0.31 O ATOM 454 CB ILE A 30 6.321 1.324 -3.889 1.00 0.31 C ATOM 455 CG1 ILE A 30 6.721 2.728 -3.417 1.00 0.31 C ATOM 456 CG2 ILE A 30 6.054 1.356 -5.398 1.00 0.35 C ATOM 457 CD1 ILE A 30 5.679 3.753 -3.873 1.00 0.33 C ATOM 0 H ILE A 30 6.433 0.710 -1.540 1.00 0.30 H new ATOM 0 HA ILE A 30 4.269 1.622 -3.261 1.00 0.30 H new ATOM 0 HB ILE A 30 7.130 0.627 -3.669 1.00 0.31 H new ATOM 0 HG12 ILE A 30 6.807 2.744 -2.331 1.00 0.31 H new ATOM 0 HG13 ILE A 30 7.700 2.990 -3.818 1.00 0.31 H new ATOM 0 HG21 ILE A 30 6.955 1.679 -5.920 1.00 0.35 H new ATOM 0 HG22 ILE A 30 5.774 0.359 -5.739 1.00 0.35 H new ATOM 0 HG23 ILE A 30 5.243 2.053 -5.609 1.00 0.35 H new ATOM 0 HD11 ILE A 30 5.972 4.746 -3.533 1.00 0.33 H new ATOM 0 HD12 ILE A 30 5.614 3.747 -4.961 1.00 0.33 H new ATOM 0 HD13 ILE A 30 4.708 3.497 -3.450 1.00 0.33 H new ATOM 469 N LEU A 31 5.055 -1.559 -3.272 1.00 0.33 N ATOM 470 CA LEU A 31 4.590 -2.888 -3.771 1.00 0.36 C ATOM 471 C LEU A 31 3.063 -2.950 -3.691 1.00 0.34 C ATOM 472 O LEU A 31 2.408 -3.425 -4.599 1.00 0.35 O ATOM 473 CB LEU A 31 5.257 -3.915 -2.836 1.00 0.41 C ATOM 474 CG LEU A 31 4.596 -5.298 -2.956 1.00 0.44 C ATOM 475 CD1 LEU A 31 3.287 -5.316 -2.161 1.00 0.46 C ATOM 476 CD2 LEU A 31 4.310 -5.621 -4.428 1.00 0.46 C ATOM 0 H LEU A 31 5.783 -1.600 -2.559 1.00 0.33 H new ATOM 0 HA LEU A 31 4.856 -3.079 -4.811 1.00 0.36 H new ATOM 0 HB2 LEU A 31 6.317 -3.995 -3.078 1.00 0.41 H new ATOM 0 HB3 LEU A 31 5.191 -3.567 -1.805 1.00 0.41 H new ATOM 0 HG LEU A 31 5.275 -6.050 -2.553 1.00 0.44 H new ATOM 0 HD11 LEU A 31 2.822 -6.298 -2.249 1.00 0.46 H new ATOM 0 HD12 LEU A 31 3.495 -5.105 -1.112 1.00 0.46 H new ATOM 0 HD13 LEU A 31 2.611 -4.558 -2.556 1.00 0.46 H new ATOM 0 HD21 LEU A 31 3.842 -6.603 -4.501 1.00 0.46 H new ATOM 0 HD22 LEU A 31 3.640 -4.868 -4.842 1.00 0.46 H new ATOM 0 HD23 LEU A 31 5.245 -5.622 -4.988 1.00 0.46 H new ATOM 488 N ALA A 32 2.495 -2.440 -2.625 1.00 0.34 N ATOM 489 CA ALA A 32 1.008 -2.424 -2.497 1.00 0.35 C ATOM 490 C ALA A 32 0.416 -1.755 -3.741 1.00 0.33 C ATOM 491 O ALA A 32 -0.588 -2.182 -4.279 1.00 0.38 O ATOM 492 CB ALA A 32 0.737 -1.579 -1.252 1.00 0.36 C ATOM 0 H ALA A 32 3.000 -2.034 -1.838 1.00 0.34 H new ATOM 0 HA ALA A 32 0.569 -3.418 -2.412 1.00 0.35 H new ATOM 0 HB1 ALA A 32 -0.338 -1.515 -1.083 1.00 0.36 H new ATOM 0 HB2 ALA A 32 1.213 -2.042 -0.388 1.00 0.36 H new ATOM 0 HB3 ALA A 32 1.142 -0.577 -1.397 1.00 0.36 H new ATOM 498 N VAL A 33 1.059 -0.708 -4.196 1.00 0.30 N ATOM 499 CA VAL A 33 0.586 0.021 -5.415 1.00 0.30 C ATOM 500 C VAL A 33 0.987 -0.725 -6.703 1.00 0.30 C ATOM 501 O VAL A 33 0.335 -0.599 -7.723 1.00 0.35 O ATOM 502 CB VAL A 33 1.277 1.389 -5.317 1.00 0.31 C ATOM 503 CG1 VAL A 33 1.439 2.029 -6.701 1.00 0.32 C ATOM 504 CG2 VAL A 33 0.428 2.308 -4.440 1.00 0.33 C ATOM 0 H VAL A 33 1.902 -0.322 -3.770 1.00 0.30 H new ATOM 0 HA VAL A 33 -0.500 0.106 -5.460 1.00 0.30 H new ATOM 0 HB VAL A 33 2.268 1.248 -4.885 1.00 0.31 H new ATOM 0 HG11 VAL A 33 1.931 2.996 -6.599 1.00 0.32 H new ATOM 0 HG12 VAL A 33 2.043 1.379 -7.334 1.00 0.32 H new ATOM 0 HG13 VAL A 33 0.458 2.167 -7.155 1.00 0.32 H new ATOM 0 HG21 VAL A 33 0.909 3.283 -4.363 1.00 0.33 H new ATOM 0 HG22 VAL A 33 -0.560 2.425 -4.885 1.00 0.33 H new ATOM 0 HG23 VAL A 33 0.329 1.873 -3.446 1.00 0.33 H new ATOM 514 N THR A 34 2.045 -1.493 -6.672 1.00 0.31 N ATOM 515 CA THR A 34 2.475 -2.230 -7.907 1.00 0.33 C ATOM 516 C THR A 34 1.616 -3.485 -8.128 1.00 0.38 C ATOM 517 O THR A 34 1.612 -4.046 -9.208 1.00 0.52 O ATOM 518 CB THR A 34 3.956 -2.605 -7.696 1.00 0.34 C ATOM 519 OG1 THR A 34 4.051 -3.821 -6.965 1.00 0.38 O ATOM 520 CG2 THR A 34 4.675 -1.492 -6.933 1.00 0.35 C ATOM 0 H THR A 34 2.630 -1.644 -5.851 1.00 0.31 H new ATOM 0 HA THR A 34 2.350 -1.611 -8.795 1.00 0.33 H new ATOM 0 HB THR A 34 4.427 -2.734 -8.671 1.00 0.34 H new ATOM 0 HG1 THR A 34 4.995 -4.053 -6.837 1.00 0.38 H new ATOM 0 HG21 THR A 34 5.720 -1.766 -6.789 1.00 0.35 H new ATOM 0 HG22 THR A 34 4.618 -0.565 -7.503 1.00 0.35 H new ATOM 0 HG23 THR A 34 4.200 -1.351 -5.962 1.00 0.35 H new ATOM 528 N GLY A 35 0.876 -3.922 -7.127 1.00 0.36 N ATOM 529 CA GLY A 35 0.006 -5.128 -7.301 1.00 0.40 C ATOM 530 C GLY A 35 -0.862 -4.930 -8.548 1.00 0.45 C ATOM 531 O GLY A 35 -0.960 -5.799 -9.395 1.00 0.61 O ATOM 0 H GLY A 35 0.840 -3.494 -6.202 1.00 0.36 H new ATOM 0 HA2 GLY A 35 0.618 -6.024 -7.405 1.00 0.40 H new ATOM 0 HA3 GLY A 35 -0.622 -5.271 -6.422 1.00 0.40 H new ATOM 535 N ASN A 36 -1.463 -3.773 -8.676 1.00 0.51 N ATOM 536 CA ASN A 36 -2.301 -3.478 -9.876 1.00 0.73 C ATOM 537 C ASN A 36 -1.525 -2.529 -10.802 1.00 0.67 C ATOM 538 O ASN A 36 -1.405 -1.349 -10.532 1.00 0.65 O ATOM 539 CB ASN A 36 -3.564 -2.803 -9.321 1.00 0.89 C ATOM 540 CG ASN A 36 -4.799 -3.366 -10.028 1.00 1.42 C ATOM 541 OD1 ASN A 36 -5.318 -2.760 -10.945 1.00 1.83 O ATOM 542 ND2 ASN A 36 -5.298 -4.507 -9.637 1.00 1.99 N ATOM 0 H ASN A 36 -1.408 -3.016 -7.995 1.00 0.51 H new ATOM 0 HA ASN A 36 -2.553 -4.365 -10.457 1.00 0.73 H new ATOM 0 HB2 ASN A 36 -3.638 -2.974 -8.247 1.00 0.89 H new ATOM 0 HB3 ASN A 36 -3.507 -1.725 -9.469 1.00 0.89 H new ATOM 0 HD21 ASN A 36 -6.122 -4.889 -10.101 1.00 1.99 H new ATOM 0 HD22 ASN A 36 -4.864 -5.017 -8.868 1.00 1.99 H new ATOM 549 N MET A 37 -0.976 -3.043 -11.882 1.00 0.74 N ATOM 550 CA MET A 37 -0.186 -2.176 -12.819 1.00 0.73 C ATOM 551 C MET A 37 -1.049 -1.023 -13.349 1.00 0.73 C ATOM 552 O MET A 37 -2.120 -1.234 -13.886 1.00 1.01 O ATOM 553 CB MET A 37 0.246 -3.099 -13.963 1.00 0.96 C ATOM 554 CG MET A 37 1.578 -3.764 -13.607 1.00 1.13 C ATOM 555 SD MET A 37 2.317 -4.477 -15.099 1.00 2.05 S ATOM 556 CE MET A 37 4.038 -4.048 -14.737 1.00 2.70 C ATOM 0 H MET A 37 -1.041 -4.024 -12.154 1.00 0.74 H new ATOM 0 HA MET A 37 0.671 -1.721 -12.322 1.00 0.73 H new ATOM 0 HB2 MET A 37 -0.516 -3.858 -14.139 1.00 0.96 H new ATOM 0 HB3 MET A 37 0.347 -2.529 -14.886 1.00 0.96 H new ATOM 0 HG2 MET A 37 2.256 -3.032 -13.167 1.00 1.13 H new ATOM 0 HG3 MET A 37 1.420 -4.542 -12.860 1.00 1.13 H new ATOM 0 HE1 MET A 37 4.679 -4.402 -15.545 1.00 2.70 H new ATOM 0 HE2 MET A 37 4.132 -2.966 -14.647 1.00 2.70 H new ATOM 0 HE3 MET A 37 4.341 -4.518 -13.801 1.00 2.70 H new ATOM 566 N ASP A 38 -0.583 0.193 -13.198 1.00 0.56 N ATOM 567 CA ASP A 38 -1.365 1.370 -13.687 1.00 0.61 C ATOM 568 C ASP A 38 -0.545 2.172 -14.703 1.00 0.56 C ATOM 569 O ASP A 38 0.673 2.191 -14.656 1.00 0.53 O ATOM 570 CB ASP A 38 -1.649 2.214 -12.439 1.00 0.61 C ATOM 571 CG ASP A 38 -2.989 1.796 -11.826 1.00 0.87 C ATOM 572 OD1 ASP A 38 -4.012 2.211 -12.347 1.00 1.42 O ATOM 573 OD2 ASP A 38 -2.969 1.072 -10.844 1.00 0.84 O ATOM 0 H ASP A 38 0.308 0.421 -12.756 1.00 0.56 H new ATOM 0 HA ASP A 38 -2.284 1.068 -14.190 1.00 0.61 H new ATOM 0 HB2 ASP A 38 -0.849 2.084 -11.711 1.00 0.61 H new ATOM 0 HB3 ASP A 38 -1.672 3.272 -12.701 1.00 0.61 H new ATOM 578 N GLU A 39 -1.207 2.842 -15.615 1.00 0.65 N ATOM 579 CA GLU A 39 -0.478 3.658 -16.637 1.00 0.63 C ATOM 580 C GLU A 39 0.358 4.732 -15.937 1.00 0.51 C ATOM 581 O GLU A 39 1.509 4.948 -16.264 1.00 0.50 O ATOM 582 CB GLU A 39 -1.567 4.312 -17.495 1.00 0.77 C ATOM 583 CG GLU A 39 -1.925 3.395 -18.670 1.00 0.94 C ATOM 584 CD GLU A 39 -2.911 2.320 -18.206 1.00 1.34 C ATOM 585 OE1 GLU A 39 -4.099 2.598 -18.191 1.00 1.58 O ATOM 586 OE2 GLU A 39 -2.461 1.234 -17.876 1.00 1.62 O ATOM 0 H GLU A 39 -2.224 2.859 -15.696 1.00 0.65 H new ATOM 0 HA GLU A 39 0.198 3.052 -17.240 1.00 0.63 H new ATOM 0 HB2 GLU A 39 -2.453 4.505 -16.890 1.00 0.77 H new ATOM 0 HB3 GLU A 39 -1.219 5.276 -17.867 1.00 0.77 H new ATOM 0 HG2 GLU A 39 -2.364 3.979 -19.479 1.00 0.94 H new ATOM 0 HG3 GLU A 39 -1.024 2.928 -19.067 1.00 0.94 H new ATOM 593 N GLU A 40 -0.221 5.399 -14.969 1.00 0.53 N ATOM 594 CA GLU A 40 0.524 6.458 -14.229 1.00 0.51 C ATOM 595 C GLU A 40 1.539 5.827 -13.263 1.00 0.43 C ATOM 596 O GLU A 40 2.569 6.406 -12.977 1.00 0.46 O ATOM 597 CB GLU A 40 -0.548 7.225 -13.450 1.00 0.68 C ATOM 598 CG GLU A 40 -0.055 8.644 -13.151 1.00 0.84 C ATOM 599 CD GLU A 40 0.470 8.715 -11.714 1.00 1.21 C ATOM 600 OE1 GLU A 40 -0.329 8.577 -10.802 1.00 1.52 O ATOM 601 OE2 GLU A 40 1.663 8.910 -11.552 1.00 1.59 O ATOM 0 H GLU A 40 -1.182 5.253 -14.660 1.00 0.53 H new ATOM 0 HA GLU A 40 1.088 7.106 -14.900 1.00 0.51 H new ATOM 0 HB2 GLU A 40 -1.472 7.265 -14.027 1.00 0.68 H new ATOM 0 HB3 GLU A 40 -0.776 6.706 -12.519 1.00 0.68 H new ATOM 0 HG2 GLU A 40 0.734 8.921 -13.851 1.00 0.84 H new ATOM 0 HG3 GLU A 40 -0.867 9.358 -13.288 1.00 0.84 H new ATOM 608 N HIS A 41 1.252 4.647 -12.758 1.00 0.39 N ATOM 609 CA HIS A 41 2.195 3.975 -11.807 1.00 0.34 C ATOM 610 C HIS A 41 3.544 3.672 -12.486 1.00 0.30 C ATOM 611 O HIS A 41 4.566 3.621 -11.830 1.00 0.33 O ATOM 612 CB HIS A 41 1.493 2.675 -11.390 1.00 0.35 C ATOM 613 CG HIS A 41 2.439 1.828 -10.575 1.00 0.32 C ATOM 614 ND1 HIS A 41 3.019 2.289 -9.402 1.00 0.34 N ATOM 615 CD2 HIS A 41 2.926 0.559 -10.761 1.00 0.38 C ATOM 616 CE1 HIS A 41 3.817 1.311 -8.932 1.00 0.34 C ATOM 617 NE2 HIS A 41 3.796 0.234 -9.723 1.00 0.37 N ATOM 0 H HIS A 41 0.403 4.121 -12.965 1.00 0.39 H new ATOM 0 HA HIS A 41 2.420 4.610 -10.950 1.00 0.34 H new ATOM 0 HB2 HIS A 41 0.600 2.903 -10.808 1.00 0.35 H new ATOM 0 HB3 HIS A 41 1.167 2.126 -12.274 1.00 0.35 H new ATOM 0 HD1 HIS A 41 2.868 3.202 -8.974 1.00 0.34 H new ATOM 0 HD2 HIS A 41 2.673 -0.089 -11.587 1.00 0.38 H new ATOM 0 HE1 HIS A 41 4.402 1.388 -8.027 1.00 0.34 H new ATOM 625 N ARG A 42 3.555 3.467 -13.785 1.00 0.33 N ATOM 626 CA ARG A 42 4.845 3.167 -14.490 1.00 0.35 C ATOM 627 C ARG A 42 5.836 4.323 -14.298 1.00 0.32 C ATOM 628 O ARG A 42 6.855 4.167 -13.652 1.00 0.33 O ATOM 629 CB ARG A 42 4.479 3.002 -15.969 1.00 0.44 C ATOM 630 CG ARG A 42 4.170 1.531 -16.256 1.00 0.57 C ATOM 631 CD ARG A 42 3.697 1.378 -17.706 1.00 0.89 C ATOM 632 NE ARG A 42 2.214 1.223 -17.621 1.00 1.13 N ATOM 633 CZ ARG A 42 1.521 0.943 -18.693 1.00 1.69 C ATOM 634 NH1 ARG A 42 1.355 -0.302 -19.058 1.00 2.23 N ATOM 635 NH2 ARG A 42 0.994 1.908 -19.399 1.00 2.19 N ATOM 0 H ARG A 42 2.730 3.494 -14.384 1.00 0.33 H new ATOM 0 HA ARG A 42 5.325 2.271 -14.098 1.00 0.35 H new ATOM 0 HB2 ARG A 42 3.615 3.620 -16.212 1.00 0.44 H new ATOM 0 HB3 ARG A 42 5.302 3.342 -16.598 1.00 0.44 H new ATOM 0 HG2 ARG A 42 5.058 0.923 -16.087 1.00 0.57 H new ATOM 0 HG3 ARG A 42 3.402 1.170 -15.572 1.00 0.57 H new ATOM 0 HD2 ARG A 42 3.968 2.249 -18.302 1.00 0.89 H new ATOM 0 HD3 ARG A 42 4.157 0.511 -18.181 1.00 0.89 H new ATOM 0 HE ARG A 42 1.741 1.336 -16.724 1.00 1.13 H new ATOM 0 HH11 ARG A 42 1.766 -1.055 -18.506 1.00 2.23 H new ATOM 0 HH12 ARG A 42 0.814 -0.520 -19.895 1.00 2.23 H new ATOM 0 HH21 ARG A 42 1.124 2.879 -19.113 1.00 2.19 H new ATOM 0 HH22 ARG A 42 0.453 1.691 -20.236 1.00 2.19 H new ATOM 649 N THR A 43 5.538 5.485 -14.835 1.00 0.35 N ATOM 650 CA THR A 43 6.463 6.650 -14.658 1.00 0.38 C ATOM 651 C THR A 43 6.529 7.044 -13.172 1.00 0.36 C ATOM 652 O THR A 43 7.534 7.544 -12.697 1.00 0.39 O ATOM 653 CB THR A 43 5.872 7.787 -15.510 1.00 0.46 C ATOM 654 OG1 THR A 43 6.785 8.876 -15.538 1.00 0.56 O ATOM 655 CG2 THR A 43 4.537 8.259 -14.923 1.00 0.52 C ATOM 0 H THR A 43 4.700 5.675 -15.384 1.00 0.35 H new ATOM 0 HA THR A 43 7.481 6.419 -14.970 1.00 0.38 H new ATOM 0 HB THR A 43 5.701 7.417 -16.521 1.00 0.46 H new ATOM 0 HG1 THR A 43 6.412 9.602 -16.081 1.00 0.56 H new ATOM 0 HG21 THR A 43 4.133 9.063 -15.538 1.00 0.52 H new ATOM 0 HG22 THR A 43 3.833 7.427 -14.905 1.00 0.52 H new ATOM 0 HG23 THR A 43 4.694 8.623 -13.908 1.00 0.52 H new ATOM 663 N TRP A 44 5.466 6.800 -12.435 1.00 0.35 N ATOM 664 CA TRP A 44 5.462 7.136 -10.981 1.00 0.35 C ATOM 665 C TRP A 44 6.528 6.307 -10.259 1.00 0.33 C ATOM 666 O TRP A 44 7.346 6.844 -9.541 1.00 0.38 O ATOM 667 CB TRP A 44 4.049 6.785 -10.487 1.00 0.36 C ATOM 668 CG TRP A 44 4.055 6.550 -9.005 1.00 0.35 C ATOM 669 CD1 TRP A 44 4.301 5.359 -8.416 1.00 0.38 C ATOM 670 CD2 TRP A 44 3.806 7.497 -7.925 1.00 0.35 C ATOM 671 NE1 TRP A 44 4.224 5.512 -7.045 1.00 0.39 N ATOM 672 CE2 TRP A 44 3.920 6.810 -6.692 1.00 0.37 C ATOM 673 CE3 TRP A 44 3.498 8.869 -7.892 1.00 0.36 C ATOM 674 CZ2 TRP A 44 3.735 7.461 -5.473 1.00 0.39 C ATOM 675 CZ3 TRP A 44 3.310 9.527 -6.665 1.00 0.40 C ATOM 676 CH2 TRP A 44 3.428 8.823 -5.458 1.00 0.41 C ATOM 0 H TRP A 44 4.603 6.382 -12.783 1.00 0.35 H new ATOM 0 HA TRP A 44 5.694 8.184 -10.790 1.00 0.35 H new ATOM 0 HB2 TRP A 44 3.361 7.594 -10.730 1.00 0.36 H new ATOM 0 HB3 TRP A 44 3.688 5.894 -11.001 1.00 0.36 H new ATOM 0 HD1 TRP A 44 4.522 4.437 -8.933 1.00 0.38 H new ATOM 0 HE1 TRP A 44 4.374 4.757 -6.376 1.00 0.39 H new ATOM 0 HE3 TRP A 44 3.405 9.420 -8.816 1.00 0.36 H new ATOM 0 HZ2 TRP A 44 3.829 6.915 -4.546 1.00 0.39 H new ATOM 0 HZ3 TRP A 44 3.073 10.581 -6.651 1.00 0.40 H new ATOM 0 HH2 TRP A 44 3.282 9.334 -4.518 1.00 0.41 H new ATOM 687 N PHE A 45 6.531 5.005 -10.440 1.00 0.31 N ATOM 688 CA PHE A 45 7.556 4.172 -9.744 1.00 0.31 C ATOM 689 C PHE A 45 8.958 4.468 -10.275 1.00 0.31 C ATOM 690 O PHE A 45 9.919 4.216 -9.602 1.00 0.32 O ATOM 691 CB PHE A 45 7.191 2.704 -9.986 1.00 0.32 C ATOM 692 CG PHE A 45 7.697 1.850 -8.827 1.00 0.30 C ATOM 693 CD1 PHE A 45 8.475 2.417 -7.800 1.00 0.31 C ATOM 694 CD2 PHE A 45 7.375 0.488 -8.774 1.00 0.31 C ATOM 695 CE1 PHE A 45 8.921 1.628 -6.735 1.00 0.32 C ATOM 696 CE2 PHE A 45 7.825 -0.301 -7.707 1.00 0.32 C ATOM 697 CZ PHE A 45 8.596 0.270 -6.687 1.00 0.33 C ATOM 0 H PHE A 45 5.877 4.493 -11.031 1.00 0.31 H new ATOM 0 HA PHE A 45 7.564 4.399 -8.678 1.00 0.31 H new ATOM 0 HB2 PHE A 45 6.110 2.599 -10.083 1.00 0.32 H new ATOM 0 HB3 PHE A 45 7.630 2.360 -10.923 1.00 0.32 H new ATOM 0 HD1 PHE A 45 8.729 3.466 -7.835 1.00 0.31 H new ATOM 0 HD2 PHE A 45 6.778 0.045 -9.558 1.00 0.31 H new ATOM 0 HE1 PHE A 45 9.517 2.069 -5.949 1.00 0.32 H new ATOM 0 HE2 PHE A 45 7.577 -1.351 -7.671 1.00 0.32 H new ATOM 0 HZ PHE A 45 8.939 -0.339 -5.864 1.00 0.33 H new ATOM 707 N CYS A 46 9.102 5.014 -11.458 1.00 0.33 N ATOM 708 CA CYS A 46 10.482 5.322 -11.951 1.00 0.34 C ATOM 709 C CYS A 46 11.163 6.261 -10.941 1.00 0.33 C ATOM 710 O CYS A 46 12.202 5.944 -10.371 1.00 0.35 O ATOM 711 CB CYS A 46 10.295 6.011 -13.307 1.00 0.39 C ATOM 712 SG CYS A 46 10.826 4.895 -14.630 1.00 1.06 S ATOM 0 H CYS A 46 8.341 5.256 -12.093 1.00 0.33 H new ATOM 0 HA CYS A 46 11.106 4.435 -12.056 1.00 0.34 H new ATOM 0 HB2 CYS A 46 9.249 6.286 -13.446 1.00 0.39 H new ATOM 0 HB3 CYS A 46 10.874 6.934 -13.341 1.00 0.39 H new ATOM 0 HG CYS A 46 10.665 5.478 -15.781 1.00 1.06 H new ATOM 718 N ALA A 47 10.559 7.400 -10.691 1.00 0.35 N ATOM 719 CA ALA A 47 11.134 8.361 -9.699 1.00 0.37 C ATOM 720 C ALA A 47 10.906 7.856 -8.263 1.00 0.32 C ATOM 721 O ALA A 47 11.618 8.230 -7.350 1.00 0.33 O ATOM 722 CB ALA A 47 10.381 9.672 -9.930 1.00 0.44 C ATOM 0 H ALA A 47 9.691 7.704 -11.133 1.00 0.35 H new ATOM 0 HA ALA A 47 12.210 8.480 -9.824 1.00 0.37 H new ATOM 0 HB1 ALA A 47 10.748 10.429 -9.237 1.00 0.44 H new ATOM 0 HB2 ALA A 47 10.542 10.009 -10.954 1.00 0.44 H new ATOM 0 HB3 ALA A 47 9.315 9.514 -9.764 1.00 0.44 H new ATOM 728 N ARG A 48 9.927 7.000 -8.057 1.00 0.30 N ATOM 729 CA ARG A 48 9.666 6.466 -6.682 1.00 0.28 C ATOM 730 C ARG A 48 10.476 5.179 -6.446 1.00 0.25 C ATOM 731 O ARG A 48 10.601 4.712 -5.331 1.00 0.28 O ATOM 732 CB ARG A 48 8.160 6.178 -6.630 1.00 0.30 C ATOM 733 CG ARG A 48 7.371 7.476 -6.839 1.00 0.33 C ATOM 734 CD ARG A 48 7.443 8.344 -5.581 1.00 0.40 C ATOM 735 NE ARG A 48 7.691 9.726 -6.082 1.00 0.47 N ATOM 736 CZ ARG A 48 6.694 10.553 -6.245 1.00 0.58 C ATOM 737 NH1 ARG A 48 6.092 11.066 -5.203 1.00 0.72 N ATOM 738 NH2 ARG A 48 6.298 10.869 -7.450 1.00 0.79 N ATOM 0 H ARG A 48 9.300 6.651 -8.782 1.00 0.30 H new ATOM 0 HA ARG A 48 9.964 7.173 -5.908 1.00 0.28 H new ATOM 0 HB2 ARG A 48 7.893 5.453 -7.399 1.00 0.30 H new ATOM 0 HB3 ARG A 48 7.899 5.735 -5.669 1.00 0.30 H new ATOM 0 HG2 ARG A 48 7.775 8.023 -7.691 1.00 0.33 H new ATOM 0 HG3 ARG A 48 6.331 7.245 -7.072 1.00 0.33 H new ATOM 0 HD2 ARG A 48 6.516 8.291 -5.011 1.00 0.40 H new ATOM 0 HD3 ARG A 48 8.244 8.014 -4.919 1.00 0.40 H new ATOM 0 HE ARG A 48 8.642 10.026 -6.298 1.00 0.47 H new ATOM 0 HH11 ARG A 48 6.402 10.820 -4.263 1.00 0.72 H new ATOM 0 HH12 ARG A 48 5.313 11.712 -5.331 1.00 0.72 H new ATOM 0 HH21 ARG A 48 6.768 10.469 -8.262 1.00 0.79 H new ATOM 0 HH22 ARG A 48 5.519 11.515 -7.578 1.00 0.79 H new ATOM 752 N TYR A 49 11.044 4.618 -7.488 1.00 0.25 N ATOM 753 CA TYR A 49 11.870 3.384 -7.342 1.00 0.25 C ATOM 754 C TYR A 49 13.142 3.764 -6.614 1.00 0.25 C ATOM 755 O TYR A 49 13.489 3.213 -5.587 1.00 0.28 O ATOM 756 CB TYR A 49 12.227 2.962 -8.772 1.00 0.28 C ATOM 757 CG TYR A 49 11.514 1.684 -9.156 1.00 0.30 C ATOM 758 CD1 TYR A 49 11.604 0.555 -8.333 1.00 0.34 C ATOM 759 CD2 TYR A 49 10.779 1.624 -10.347 1.00 0.34 C ATOM 760 CE1 TYR A 49 10.958 -0.632 -8.700 1.00 0.39 C ATOM 761 CE2 TYR A 49 10.135 0.437 -10.715 1.00 0.39 C ATOM 762 CZ TYR A 49 10.223 -0.691 -9.890 1.00 0.40 C ATOM 763 OH TYR A 49 9.591 -1.863 -10.254 1.00 0.46 O ATOM 0 H TYR A 49 10.967 4.969 -8.443 1.00 0.25 H new ATOM 0 HA TYR A 49 11.357 2.591 -6.799 1.00 0.25 H new ATOM 0 HB2 TYR A 49 11.956 3.756 -9.467 1.00 0.28 H new ATOM 0 HB3 TYR A 49 13.305 2.820 -8.854 1.00 0.28 H new ATOM 0 HD1 TYR A 49 12.172 0.600 -7.415 1.00 0.34 H new ATOM 0 HD2 TYR A 49 10.709 2.495 -10.982 1.00 0.34 H new ATOM 0 HE1 TYR A 49 11.027 -1.503 -8.065 1.00 0.39 H new ATOM 0 HE2 TYR A 49 9.571 0.391 -11.635 1.00 0.39 H new ATOM 0 HH TYR A 49 9.125 -1.732 -11.106 1.00 0.46 H new ATOM 773 N ALA A 50 13.823 4.735 -7.158 1.00 0.24 N ATOM 774 CA ALA A 50 15.082 5.227 -6.542 1.00 0.25 C ATOM 775 C ALA A 50 14.788 5.849 -5.180 1.00 0.23 C ATOM 776 O ALA A 50 15.476 5.597 -4.209 1.00 0.26 O ATOM 777 CB ALA A 50 15.552 6.293 -7.507 1.00 0.29 C ATOM 0 H ALA A 50 13.553 5.214 -8.017 1.00 0.24 H new ATOM 0 HA ALA A 50 15.818 4.439 -6.381 1.00 0.25 H new ATOM 0 HB1 ALA A 50 16.484 6.726 -7.145 1.00 0.29 H new ATOM 0 HB2 ALA A 50 15.716 5.848 -8.489 1.00 0.29 H new ATOM 0 HB3 ALA A 50 14.795 7.073 -7.584 1.00 0.29 H new ATOM 783 N TRP A 51 13.758 6.656 -5.108 1.00 0.23 N ATOM 784 CA TRP A 51 13.388 7.297 -3.816 1.00 0.22 C ATOM 785 C TRP A 51 13.186 6.211 -2.760 1.00 0.20 C ATOM 786 O TRP A 51 13.837 6.210 -1.740 1.00 0.20 O ATOM 787 CB TRP A 51 12.082 8.043 -4.113 1.00 0.24 C ATOM 788 CG TRP A 51 11.214 8.105 -2.885 1.00 0.22 C ATOM 789 CD1 TRP A 51 11.491 8.806 -1.760 1.00 0.22 C ATOM 790 CD2 TRP A 51 9.938 7.443 -2.646 1.00 0.24 C ATOM 791 NE1 TRP A 51 10.465 8.613 -0.849 1.00 0.23 N ATOM 792 CE2 TRP A 51 9.481 7.782 -1.353 1.00 0.24 C ATOM 793 CE3 TRP A 51 9.142 6.589 -3.425 1.00 0.27 C ATOM 794 CZ2 TRP A 51 8.270 7.288 -0.854 1.00 0.27 C ATOM 795 CZ3 TRP A 51 7.929 6.093 -2.930 1.00 0.31 C ATOM 796 CH2 TRP A 51 7.494 6.442 -1.647 1.00 0.30 C ATOM 0 H TRP A 51 13.156 6.897 -5.896 1.00 0.23 H new ATOM 0 HA TRP A 51 14.150 7.975 -3.432 1.00 0.22 H new ATOM 0 HB2 TRP A 51 12.304 9.053 -4.459 1.00 0.24 H new ATOM 0 HB3 TRP A 51 11.546 7.541 -4.919 1.00 0.24 H new ATOM 0 HD1 TRP A 51 12.368 9.416 -1.599 1.00 0.22 H new ATOM 0 HE1 TRP A 51 10.439 9.033 0.080 1.00 0.23 H new ATOM 0 HE3 TRP A 51 9.468 6.311 -4.416 1.00 0.27 H new ATOM 0 HZ2 TRP A 51 7.939 7.560 0.137 1.00 0.27 H new ATOM 0 HZ3 TRP A 51 7.327 5.438 -3.542 1.00 0.31 H new ATOM 0 HH2 TRP A 51 6.558 6.057 -1.271 1.00 0.30 H new ATOM 807 N TYR A 52 12.301 5.279 -3.017 1.00 0.22 N ATOM 808 CA TYR A 52 12.066 4.180 -2.037 1.00 0.22 C ATOM 809 C TYR A 52 13.366 3.413 -1.781 1.00 0.23 C ATOM 810 O TYR A 52 13.633 2.983 -0.679 1.00 0.28 O ATOM 811 CB TYR A 52 11.031 3.261 -2.690 1.00 0.27 C ATOM 812 CG TYR A 52 10.770 2.092 -1.771 1.00 0.28 C ATOM 813 CD1 TYR A 52 9.880 2.235 -0.703 1.00 0.34 C ATOM 814 CD2 TYR A 52 11.432 0.874 -1.975 1.00 0.35 C ATOM 815 CE1 TYR A 52 9.644 1.162 0.160 1.00 0.37 C ATOM 816 CE2 TYR A 52 11.195 -0.201 -1.111 1.00 0.38 C ATOM 817 CZ TYR A 52 10.300 -0.058 -0.042 1.00 0.34 C ATOM 818 OH TYR A 52 10.060 -1.116 0.816 1.00 0.40 O ATOM 0 H TYR A 52 11.733 5.234 -3.863 1.00 0.22 H new ATOM 0 HA TYR A 52 11.720 4.562 -1.077 1.00 0.22 H new ATOM 0 HB2 TYR A 52 10.107 3.807 -2.878 1.00 0.27 H new ATOM 0 HB3 TYR A 52 11.395 2.908 -3.655 1.00 0.27 H new ATOM 0 HD1 TYR A 52 9.374 3.176 -0.545 1.00 0.34 H new ATOM 0 HD2 TYR A 52 12.124 0.765 -2.797 1.00 0.35 H new ATOM 0 HE1 TYR A 52 8.955 1.274 0.984 1.00 0.37 H new ATOM 0 HE2 TYR A 52 11.702 -1.142 -1.268 1.00 0.38 H new ATOM 0 HH TYR A 52 9.220 -1.555 0.567 1.00 0.40 H new ATOM 828 N CYS A 53 14.172 3.234 -2.796 1.00 0.24 N ATOM 829 CA CYS A 53 15.452 2.487 -2.623 1.00 0.29 C ATOM 830 C CYS A 53 16.365 3.182 -1.599 1.00 0.29 C ATOM 831 O CYS A 53 16.921 2.537 -0.730 1.00 0.34 O ATOM 832 CB CYS A 53 16.086 2.477 -4.017 1.00 0.33 C ATOM 833 SG CYS A 53 17.724 1.708 -3.939 1.00 0.45 S ATOM 0 H CYS A 53 13.997 3.575 -3.741 1.00 0.24 H new ATOM 0 HA CYS A 53 15.292 1.479 -2.239 1.00 0.29 H new ATOM 0 HB2 CYS A 53 15.450 1.930 -4.712 1.00 0.33 H new ATOM 0 HB3 CYS A 53 16.170 3.496 -4.396 1.00 0.33 H new ATOM 0 HG CYS A 53 18.257 1.700 -5.125 1.00 0.45 H new ATOM 839 N GLN A 54 16.537 4.479 -1.696 1.00 0.28 N ATOM 840 CA GLN A 54 17.435 5.184 -0.721 1.00 0.31 C ATOM 841 C GLN A 54 16.733 5.470 0.624 1.00 0.28 C ATOM 842 O GLN A 54 17.357 5.411 1.669 1.00 0.35 O ATOM 843 CB GLN A 54 17.867 6.484 -1.423 1.00 0.33 C ATOM 844 CG GLN A 54 16.661 7.406 -1.655 1.00 0.29 C ATOM 845 CD GLN A 54 16.822 8.690 -0.834 1.00 0.37 C ATOM 846 OE1 GLN A 54 16.534 9.768 -1.315 1.00 0.51 O ATOM 847 NE2 GLN A 54 17.271 8.625 0.393 1.00 0.39 N ATOM 0 H GLN A 54 16.101 5.076 -2.399 1.00 0.28 H new ATOM 0 HA GLN A 54 18.292 4.562 -0.461 1.00 0.31 H new ATOM 0 HB2 GLN A 54 18.613 6.999 -0.817 1.00 0.33 H new ATOM 0 HB3 GLN A 54 18.339 6.248 -2.377 1.00 0.33 H new ATOM 0 HG2 GLN A 54 16.576 7.649 -2.714 1.00 0.29 H new ATOM 0 HG3 GLN A 54 15.741 6.895 -1.371 1.00 0.29 H new ATOM 0 HE21 GLN A 54 17.514 7.722 0.800 1.00 0.39 H new ATOM 0 HE22 GLN A 54 17.378 9.478 0.943 1.00 0.39 H new ATOM 856 N GLN A 55 15.456 5.783 0.622 1.00 0.24 N ATOM 857 CA GLN A 55 14.764 6.074 1.923 1.00 0.24 C ATOM 858 C GLN A 55 14.554 4.788 2.737 1.00 0.27 C ATOM 859 O GLN A 55 14.713 4.793 3.942 1.00 0.32 O ATOM 860 CB GLN A 55 13.419 6.737 1.576 1.00 0.22 C ATOM 861 CG GLN A 55 12.617 5.870 0.604 1.00 0.22 C ATOM 862 CD GLN A 55 11.454 5.205 1.338 1.00 0.29 C ATOM 863 OE1 GLN A 55 11.602 4.752 2.455 1.00 0.43 O ATOM 864 NE2 GLN A 55 10.293 5.125 0.751 1.00 0.32 N ATOM 0 H GLN A 55 14.870 5.849 -0.210 1.00 0.24 H new ATOM 0 HA GLN A 55 15.370 6.735 2.542 1.00 0.24 H new ATOM 0 HB2 GLN A 55 12.842 6.897 2.487 1.00 0.22 H new ATOM 0 HB3 GLN A 55 13.596 7.718 1.134 1.00 0.22 H new ATOM 0 HG2 GLN A 55 12.239 6.481 -0.215 1.00 0.22 H new ATOM 0 HG3 GLN A 55 13.262 5.110 0.163 1.00 0.22 H new ATOM 0 HE21 GLN A 55 10.169 5.505 -0.187 1.00 0.32 H new ATOM 0 HE22 GLN A 55 9.509 4.682 1.230 1.00 0.32 H new ATOM 873 N MET A 56 14.213 3.687 2.102 1.00 0.32 N ATOM 874 CA MET A 56 14.021 2.417 2.876 1.00 0.38 C ATOM 875 C MET A 56 15.368 1.939 3.422 1.00 0.44 C ATOM 876 O MET A 56 15.441 1.377 4.498 1.00 0.49 O ATOM 877 CB MET A 56 13.450 1.398 1.899 1.00 0.50 C ATOM 878 CG MET A 56 12.170 0.805 2.492 1.00 0.51 C ATOM 879 SD MET A 56 12.535 -0.808 3.229 1.00 0.64 S ATOM 880 CE MET A 56 11.347 -0.710 4.590 1.00 0.84 C ATOM 0 H MET A 56 14.062 3.614 1.096 1.00 0.32 H new ATOM 0 HA MET A 56 13.351 2.560 3.724 1.00 0.38 H new ATOM 0 HB2 MET A 56 13.237 1.873 0.941 1.00 0.50 H new ATOM 0 HB3 MET A 56 14.178 0.609 1.709 1.00 0.50 H new ATOM 0 HG2 MET A 56 11.761 1.477 3.246 1.00 0.51 H new ATOM 0 HG3 MET A 56 11.412 0.699 1.716 1.00 0.51 H new ATOM 0 HE1 MET A 56 10.797 -1.648 4.661 1.00 0.84 H new ATOM 0 HE2 MET A 56 11.878 -0.529 5.524 1.00 0.84 H new ATOM 0 HE3 MET A 56 10.649 0.107 4.406 1.00 0.84 H new ATOM 890 N MET A 57 16.439 2.177 2.693 1.00 0.49 N ATOM 891 CA MET A 57 17.791 1.762 3.180 1.00 0.62 C ATOM 892 C MET A 57 18.080 2.447 4.522 1.00 0.62 C ATOM 893 O MET A 57 18.726 1.888 5.388 1.00 0.74 O ATOM 894 CB MET A 57 18.774 2.246 2.106 1.00 0.66 C ATOM 895 CG MET A 57 18.900 1.189 1.009 1.00 0.69 C ATOM 896 SD MET A 57 20.252 0.056 1.422 1.00 0.86 S ATOM 897 CE MET A 57 20.147 -0.993 -0.047 1.00 1.72 C ATOM 0 H MET A 57 16.431 2.640 1.784 1.00 0.49 H new ATOM 0 HA MET A 57 17.868 0.686 3.336 1.00 0.62 H new ATOM 0 HB2 MET A 57 18.427 3.187 1.679 1.00 0.66 H new ATOM 0 HB3 MET A 57 19.750 2.439 2.552 1.00 0.66 H new ATOM 0 HG2 MET A 57 17.965 0.637 0.910 1.00 0.69 H new ATOM 0 HG3 MET A 57 19.091 1.667 0.048 1.00 0.69 H new ATOM 0 HE1 MET A 57 20.908 -1.772 0.007 1.00 1.72 H new ATOM 0 HE2 MET A 57 19.160 -1.453 -0.096 1.00 1.72 H new ATOM 0 HE3 MET A 57 20.310 -0.388 -0.939 1.00 1.72 H new ATOM 907 N GLN A 58 17.588 3.652 4.698 1.00 0.55 N ATOM 908 CA GLN A 58 17.810 4.384 5.989 1.00 0.62 C ATOM 909 C GLN A 58 16.591 4.237 6.921 1.00 0.61 C ATOM 910 O GLN A 58 16.634 4.639 8.070 1.00 0.74 O ATOM 911 CB GLN A 58 18.001 5.850 5.589 1.00 0.63 C ATOM 912 CG GLN A 58 19.494 6.192 5.586 1.00 0.93 C ATOM 913 CD GLN A 58 20.008 6.230 4.146 1.00 1.20 C ATOM 914 OE1 GLN A 58 20.596 5.278 3.673 1.00 1.59 O ATOM 915 NE2 GLN A 58 19.810 7.298 3.424 1.00 1.45 N ATOM 0 H GLN A 58 17.042 4.161 4.003 1.00 0.55 H new ATOM 0 HA GLN A 58 18.668 3.990 6.534 1.00 0.62 H new ATOM 0 HB2 GLN A 58 17.575 6.026 4.601 1.00 0.63 H new ATOM 0 HB3 GLN A 58 17.470 6.499 6.285 1.00 0.63 H new ATOM 0 HG2 GLN A 58 19.658 7.156 6.067 1.00 0.93 H new ATOM 0 HG3 GLN A 58 20.049 5.451 6.161 1.00 0.93 H new ATOM 0 HE21 GLN A 58 19.316 8.098 3.821 1.00 1.45 H new ATOM 0 HE22 GLN A 58 20.149 7.334 2.463 1.00 1.45 H new ATOM 924 N ALA A 59 15.510 3.665 6.441 1.00 0.49 N ATOM 925 CA ALA A 59 14.294 3.489 7.296 1.00 0.51 C ATOM 926 C ALA A 59 14.260 2.080 7.903 1.00 0.56 C ATOM 927 O ALA A 59 13.756 1.877 8.992 1.00 0.69 O ATOM 928 CB ALA A 59 13.114 3.682 6.341 1.00 0.44 C ATOM 0 H ALA A 59 15.419 3.311 5.489 1.00 0.49 H new ATOM 0 HA ALA A 59 14.274 4.192 8.129 1.00 0.51 H new ATOM 0 HB1 ALA A 59 12.179 3.569 6.890 1.00 0.44 H new ATOM 0 HB2 ALA A 59 13.159 4.679 5.904 1.00 0.44 H new ATOM 0 HB3 ALA A 59 13.162 2.936 5.548 1.00 0.44 H new ATOM 934 N ARG A 60 14.791 1.107 7.200 1.00 0.56 N ATOM 935 CA ARG A 60 14.796 -0.294 7.718 1.00 0.67 C ATOM 936 C ARG A 60 15.913 -0.472 8.757 1.00 0.80 C ATOM 937 O ARG A 60 16.987 -0.960 8.455 1.00 0.99 O ATOM 938 CB ARG A 60 15.044 -1.164 6.481 1.00 0.71 C ATOM 939 CG ARG A 60 15.021 -2.646 6.873 1.00 0.84 C ATOM 940 CD ARG A 60 13.977 -3.388 6.031 1.00 0.88 C ATOM 941 NE ARG A 60 12.709 -3.289 6.809 1.00 1.09 N ATOM 942 CZ ARG A 60 12.037 -4.369 7.106 1.00 1.26 C ATOM 943 NH1 ARG A 60 11.168 -4.852 6.258 1.00 1.63 N ATOM 944 NH2 ARG A 60 12.232 -4.966 8.252 1.00 1.41 N ATOM 0 H ARG A 60 15.223 1.227 6.284 1.00 0.56 H new ATOM 0 HA ARG A 60 13.866 -0.561 8.219 1.00 0.67 H new ATOM 0 HB2 ARG A 60 14.282 -0.966 5.728 1.00 0.71 H new ATOM 0 HB3 ARG A 60 16.006 -0.912 6.035 1.00 0.71 H new ATOM 0 HG2 ARG A 60 16.006 -3.088 6.720 1.00 0.84 H new ATOM 0 HG3 ARG A 60 14.787 -2.748 7.933 1.00 0.84 H new ATOM 0 HD2 ARG A 60 13.871 -2.935 5.045 1.00 0.88 H new ATOM 0 HD3 ARG A 60 14.263 -4.428 5.875 1.00 0.88 H new ATOM 0 HE ARG A 60 12.366 -2.377 7.110 1.00 1.09 H new ATOM 0 HH11 ARG A 60 11.014 -4.386 5.364 1.00 1.63 H new ATOM 0 HH12 ARG A 60 10.643 -5.695 6.490 1.00 1.63 H new ATOM 0 HH21 ARG A 60 12.909 -4.589 8.915 1.00 1.41 H new ATOM 0 HH22 ARG A 60 11.707 -5.809 8.484 1.00 1.41 H new ATOM 958 N GLU A 61 15.660 -0.074 9.979 1.00 0.80 N ATOM 959 CA GLU A 61 16.691 -0.208 11.054 1.00 0.95 C ATOM 960 C GLU A 61 16.017 -0.594 12.376 1.00 0.97 C ATOM 961 O GLU A 61 16.358 -1.589 12.987 1.00 1.10 O ATOM 962 CB GLU A 61 17.339 1.177 11.161 1.00 1.08 C ATOM 963 CG GLU A 61 18.666 1.188 10.395 1.00 1.23 C ATOM 964 CD GLU A 61 18.571 2.163 9.218 1.00 1.23 C ATOM 965 OE1 GLU A 61 18.042 1.771 8.190 1.00 1.24 O ATOM 966 OE2 GLU A 61 19.028 3.284 9.363 1.00 1.45 O ATOM 0 H GLU A 61 14.778 0.341 10.280 1.00 0.80 H new ATOM 0 HA GLU A 61 17.427 -0.981 10.832 1.00 0.95 H new ATOM 0 HB2 GLU A 61 16.668 1.935 10.756 1.00 1.08 H new ATOM 0 HB3 GLU A 61 17.510 1.429 12.208 1.00 1.08 H new ATOM 0 HG2 GLU A 61 19.479 1.482 11.059 1.00 1.23 H new ATOM 0 HG3 GLU A 61 18.897 0.186 10.033 1.00 1.23 H new ATOM 973 N LEU A 62 15.057 0.187 12.813 1.00 0.95 N ATOM 974 CA LEU A 62 14.345 -0.127 14.093 1.00 1.06 C ATOM 975 C LEU A 62 12.842 -0.370 13.849 1.00 1.00 C ATOM 976 O LEU A 62 12.127 -0.780 14.745 1.00 1.12 O ATOM 977 CB LEU A 62 14.623 1.083 15.026 1.00 1.27 C ATOM 978 CG LEU A 62 13.629 2.253 14.842 1.00 1.34 C ATOM 979 CD1 LEU A 62 13.523 2.666 13.372 1.00 1.23 C ATOM 980 CD2 LEU A 62 12.248 1.862 15.373 1.00 1.39 C ATOM 0 H LEU A 62 14.735 1.030 12.337 1.00 0.95 H new ATOM 0 HA LEU A 62 14.701 -1.050 14.551 1.00 1.06 H new ATOM 0 HB2 LEU A 62 14.587 0.747 16.062 1.00 1.27 H new ATOM 0 HB3 LEU A 62 15.635 1.446 14.844 1.00 1.27 H new ATOM 0 HG LEU A 62 14.006 3.104 15.409 1.00 1.34 H new ATOM 0 HD11 LEU A 62 12.817 3.491 13.276 1.00 1.23 H new ATOM 0 HD12 LEU A 62 14.502 2.983 13.012 1.00 1.23 H new ATOM 0 HD13 LEU A 62 13.175 1.819 12.780 1.00 1.23 H new ATOM 0 HD21 LEU A 62 11.557 2.694 15.238 1.00 1.39 H new ATOM 0 HD22 LEU A 62 11.881 0.993 14.827 1.00 1.39 H new ATOM 0 HD23 LEU A 62 12.321 1.620 16.433 1.00 1.39 H new ATOM 992 N GLU A 63 12.361 -0.144 12.645 1.00 0.88 N ATOM 993 CA GLU A 63 10.911 -0.373 12.355 1.00 0.87 C ATOM 994 C GLU A 63 10.741 -1.290 11.134 1.00 0.75 C ATOM 995 O GLU A 63 11.659 -1.485 10.359 1.00 0.75 O ATOM 996 CB GLU A 63 10.331 1.020 12.069 1.00 0.97 C ATOM 997 CG GLU A 63 10.981 1.622 10.813 1.00 0.93 C ATOM 998 CD GLU A 63 10.011 1.531 9.631 1.00 0.98 C ATOM 999 OE1 GLU A 63 9.062 2.298 9.607 1.00 1.38 O ATOM 1000 OE2 GLU A 63 10.236 0.698 8.767 1.00 0.95 O ATOM 0 H GLU A 63 12.912 0.189 11.854 1.00 0.88 H new ATOM 0 HA GLU A 63 10.403 -0.862 13.186 1.00 0.87 H new ATOM 0 HB2 GLU A 63 9.252 0.951 11.930 1.00 0.97 H new ATOM 0 HB3 GLU A 63 10.501 1.675 12.924 1.00 0.97 H new ATOM 0 HG2 GLU A 63 11.250 2.663 10.995 1.00 0.93 H new ATOM 0 HG3 GLU A 63 11.904 1.090 10.580 1.00 0.93 H new ATOM 1007 N LEU A 64 9.566 -1.842 10.959 1.00 0.77 N ATOM 1008 CA LEU A 64 9.315 -2.740 9.791 1.00 0.72 C ATOM 1009 C LEU A 64 8.213 -2.148 8.904 1.00 0.73 C ATOM 1010 O LEU A 64 7.212 -1.654 9.391 1.00 0.90 O ATOM 1011 CB LEU A 64 8.860 -4.073 10.396 1.00 0.84 C ATOM 1012 CG LEU A 64 8.763 -5.134 9.293 1.00 0.89 C ATOM 1013 CD1 LEU A 64 9.176 -6.496 9.854 1.00 1.05 C ATOM 1014 CD2 LEU A 64 7.321 -5.213 8.781 1.00 1.03 C ATOM 0 H LEU A 64 8.767 -1.708 11.578 1.00 0.77 H new ATOM 0 HA LEU A 64 10.200 -2.863 9.167 1.00 0.72 H new ATOM 0 HB2 LEU A 64 9.565 -4.395 11.163 1.00 0.84 H new ATOM 0 HB3 LEU A 64 7.893 -3.951 10.883 1.00 0.84 H new ATOM 0 HG LEU A 64 9.427 -4.861 8.472 1.00 0.89 H new ATOM 0 HD11 LEU A 64 9.107 -7.249 9.069 1.00 1.05 H new ATOM 0 HD12 LEU A 64 10.202 -6.444 10.217 1.00 1.05 H new ATOM 0 HD13 LEU A 64 8.514 -6.767 10.676 1.00 1.05 H new ATOM 0 HD21 LEU A 64 7.254 -5.967 7.997 1.00 1.03 H new ATOM 0 HD22 LEU A 64 6.658 -5.483 9.602 1.00 1.03 H new ATOM 0 HD23 LEU A 64 7.024 -4.244 8.379 1.00 1.03 H new ATOM 1026 N GLU A 65 8.389 -2.201 7.608 1.00 0.65 N ATOM 1027 CA GLU A 65 7.354 -1.649 6.681 1.00 0.71 C ATOM 1028 C GLU A 65 6.974 -2.694 5.624 1.00 0.78 C ATOM 1029 O GLU A 65 5.810 -2.977 5.415 1.00 0.97 O ATOM 1030 CB GLU A 65 8.012 -0.428 6.029 1.00 0.63 C ATOM 1031 CG GLU A 65 7.004 0.273 5.111 1.00 0.77 C ATOM 1032 CD GLU A 65 7.362 -0.002 3.648 1.00 0.74 C ATOM 1033 OE1 GLU A 65 8.228 0.683 3.131 1.00 0.73 O ATOM 1034 OE2 GLU A 65 6.766 -0.896 3.070 1.00 1.10 O ATOM 0 H GLU A 65 9.207 -2.604 7.151 1.00 0.65 H new ATOM 0 HA GLU A 65 6.434 -1.382 7.201 1.00 0.71 H new ATOM 0 HB2 GLU A 65 8.361 0.263 6.797 1.00 0.63 H new ATOM 0 HB3 GLU A 65 8.887 -0.736 5.456 1.00 0.63 H new ATOM 0 HG2 GLU A 65 5.996 -0.083 5.322 1.00 0.77 H new ATOM 0 HG3 GLU A 65 7.009 1.346 5.301 1.00 0.77 H new ATOM 1041 N HIS A 66 7.947 -3.267 4.956 1.00 0.77 N ATOM 1042 CA HIS A 66 7.640 -4.293 3.913 1.00 0.95 C ATOM 1043 C HIS A 66 7.588 -5.694 4.537 1.00 1.20 C ATOM 1044 O HIS A 66 8.459 -6.004 5.335 1.00 1.20 O ATOM 1045 CB HIS A 66 8.785 -4.193 2.902 1.00 0.98 C ATOM 1046 CG HIS A 66 8.222 -4.176 1.508 1.00 1.06 C ATOM 1047 ND1 HIS A 66 7.900 -2.996 0.855 1.00 1.05 N ATOM 1048 CD2 HIS A 66 7.917 -5.185 0.629 1.00 1.51 C ATOM 1049 CE1 HIS A 66 7.425 -3.322 -0.361 1.00 1.26 C ATOM 1050 NE2 HIS A 66 7.414 -4.644 -0.550 1.00 1.53 N ATOM 1051 OXT HIS A 66 6.677 -6.433 4.204 1.00 1.51 O ATOM 0 H HIS A 66 8.939 -3.068 5.089 1.00 0.77 H new ATOM 0 HA HIS A 66 6.670 -4.123 3.445 1.00 0.95 H new ATOM 0 HB2 HIS A 66 9.366 -3.288 3.082 1.00 0.98 H new ATOM 0 HB3 HIS A 66 9.464 -5.037 3.021 1.00 0.98 H new ATOM 0 HD2 HIS A 66 8.048 -6.239 0.823 1.00 1.51 H new ATOM 0 HE1 HIS A 66 7.093 -2.602 -1.095 1.00 1.26 H new ATOM 0 HE2 HIS A 66 7.104 -5.149 -1.380 1.00 1.53 H new TER 1059 HIS A 66