USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=15 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 67:sc= 0.418 USER MOD Set 1.2: A 66 HIS : no HD1:sc= 0.553 K(o=0.97,f=-0.77) USER MOD Set 2.1: A 37 MET CE :methyl -143:sc=-0.00612 (180deg=-1.67) USER MOD Set 2.2: A 41 HIS : no HD1:sc= -6.04! C(o=-6!,f=-13!) USER MOD Set 3.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 36 ASN : amide:sc= -0.0624 X(o=-0.062,f=-0.094) USER MOD Set 5.1: A 1 MET CE :methyl -163:sc= 0 (180deg=-0.617) USER MOD Set 5.2: A 10 ASN : amide:sc= -0.0452 X(o=-0.045,f=-0.065) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.0858 (180deg=-1.08) 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 K(o=0,f=-0.8) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.823 X(o=-0.82,f=-0.82) USER MOD Single : A 34 THR OG1 : rot -50:sc= 0.345 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 :FLIP amide:sc= -0.0568 F(o=-1,f=-0.057) USER MOD Single : A 55 GLN :FLIP amide:sc= -9.23! C(o=-11!,f=-9.2!) USER MOD Single : A 56 MET CE :methyl -157:sc= -0.213 (180deg=-0.441) 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 -1.154 -7.300 0.438 1.00 1.11 N ATOM 2 CA MET A 1 -2.418 -6.499 0.345 1.00 1.10 C ATOM 3 C MET A 1 -2.612 -5.979 -1.088 1.00 0.86 C ATOM 4 O MET A 1 -2.840 -4.803 -1.310 1.00 1.21 O ATOM 5 CB MET A 1 -2.247 -5.333 1.335 1.00 1.24 C ATOM 6 CG MET A 1 -1.003 -4.508 0.981 1.00 1.06 C ATOM 7 SD MET A 1 0.167 -4.561 2.361 1.00 1.20 S ATOM 8 CE MET A 1 0.577 -2.798 2.380 1.00 1.09 C ATOM 0 H1 MET A 1 -0.725 -7.164 1.376 1.00 1.11 H new ATOM 0 H2 MET A 1 -1.371 -8.308 0.299 1.00 1.11 H new ATOM 0 H3 MET A 1 -0.488 -6.984 -0.296 1.00 1.11 H new ATOM 0 HA MET A 1 -3.298 -7.096 0.586 1.00 1.10 H new ATOM 0 HB2 MET A 1 -3.132 -4.696 1.313 1.00 1.24 H new ATOM 0 HB3 MET A 1 -2.158 -5.720 2.350 1.00 1.24 H new ATOM 0 HG2 MET A 1 -0.536 -4.903 0.079 1.00 1.06 H new ATOM 0 HG3 MET A 1 -1.285 -3.477 0.769 1.00 1.06 H new ATOM 0 HE1 MET A 1 1.496 -2.644 2.945 1.00 1.09 H new ATOM 0 HE2 MET A 1 0.716 -2.446 1.358 1.00 1.09 H new ATOM 0 HE3 MET A 1 -0.234 -2.241 2.849 1.00 1.09 H new ATOM 17 N ASP A 2 -2.524 -6.853 -2.062 1.00 0.69 N ATOM 18 CA ASP A 2 -2.698 -6.421 -3.479 1.00 0.61 C ATOM 19 C ASP A 2 -3.887 -7.156 -4.112 1.00 0.66 C ATOM 20 O ASP A 2 -3.730 -7.945 -5.027 1.00 0.89 O ATOM 21 CB ASP A 2 -1.383 -6.795 -4.171 1.00 0.81 C ATOM 22 CG ASP A 2 -1.197 -5.937 -5.424 1.00 1.02 C ATOM 23 OD1 ASP A 2 -1.766 -6.285 -6.447 1.00 1.46 O ATOM 24 OD2 ASP A 2 -0.491 -4.945 -5.340 1.00 1.15 O ATOM 0 H ASP A 2 -2.339 -7.848 -1.933 1.00 0.69 H new ATOM 0 HA ASP A 2 -2.908 -5.355 -3.569 1.00 0.61 H new ATOM 0 HB2 ASP A 2 -0.546 -6.645 -3.489 1.00 0.81 H new ATOM 0 HB3 ASP A 2 -1.390 -7.851 -4.440 1.00 0.81 H new ATOM 29 N HIS A 3 -5.076 -6.897 -3.631 1.00 0.62 N ATOM 30 CA HIS A 3 -6.284 -7.572 -4.197 1.00 0.79 C ATOM 31 C HIS A 3 -7.212 -6.537 -4.844 1.00 0.75 C ATOM 32 O HIS A 3 -6.834 -5.400 -5.060 1.00 0.79 O ATOM 33 CB HIS A 3 -6.967 -8.241 -3.000 1.00 0.87 C ATOM 34 CG HIS A 3 -6.105 -9.362 -2.485 1.00 1.16 C ATOM 35 ND1 HIS A 3 -5.309 -9.226 -1.358 1.00 1.32 N ATOM 36 CD2 HIS A 3 -5.904 -10.644 -2.933 1.00 1.56 C ATOM 37 CE1 HIS A 3 -4.674 -10.396 -1.168 1.00 1.63 C ATOM 38 NE2 HIS A 3 -5.000 -11.295 -2.099 1.00 1.78 N ATOM 0 H HIS A 3 -5.263 -6.246 -2.869 1.00 0.62 H new ATOM 0 HA HIS A 3 -6.029 -8.296 -4.971 1.00 0.79 H new ATOM 0 HB2 HIS A 3 -7.138 -7.509 -2.211 1.00 0.87 H new ATOM 0 HB3 HIS A 3 -7.943 -8.626 -3.295 1.00 0.87 H new ATOM 0 HD2 HIS A 3 -6.376 -11.081 -3.801 1.00 1.56 H new ATOM 0 HE1 HIS A 3 -3.983 -10.585 -0.359 1.00 1.63 H new ATOM 0 HE2 HIS A 3 -4.660 -12.253 -2.181 1.00 1.78 H new ATOM 46 N SER A 4 -8.424 -6.922 -5.160 1.00 0.89 N ATOM 47 CA SER A 4 -9.376 -5.962 -5.799 1.00 0.93 C ATOM 48 C SER A 4 -9.880 -4.934 -4.776 1.00 0.67 C ATOM 49 O SER A 4 -9.983 -3.759 -5.074 1.00 0.72 O ATOM 50 CB SER A 4 -10.533 -6.822 -6.311 1.00 1.22 C ATOM 51 OG SER A 4 -10.466 -6.896 -7.728 1.00 1.76 O ATOM 0 H SER A 4 -8.795 -7.859 -5.003 1.00 0.89 H new ATOM 0 HA SER A 4 -8.902 -5.397 -6.602 1.00 0.93 H new ATOM 0 HB2 SER A 4 -10.478 -7.821 -5.879 1.00 1.22 H new ATOM 0 HB3 SER A 4 -11.486 -6.393 -6.002 1.00 1.22 H new ATOM 0 HG SER A 4 -11.204 -7.447 -8.062 1.00 1.76 H new ATOM 57 N LEU A 5 -10.197 -5.364 -3.579 1.00 0.59 N ATOM 58 CA LEU A 5 -10.697 -4.409 -2.539 1.00 0.52 C ATOM 59 C LEU A 5 -9.562 -4.000 -1.585 1.00 0.45 C ATOM 60 O LEU A 5 -9.533 -2.889 -1.088 1.00 0.58 O ATOM 61 CB LEU A 5 -11.783 -5.178 -1.773 1.00 0.73 C ATOM 62 CG LEU A 5 -13.166 -4.896 -2.380 1.00 0.84 C ATOM 63 CD1 LEU A 5 -13.471 -3.398 -2.309 1.00 1.00 C ATOM 64 CD2 LEU A 5 -13.194 -5.356 -3.840 1.00 0.86 C ATOM 0 H LEU A 5 -10.131 -6.336 -3.276 1.00 0.59 H new ATOM 0 HA LEU A 5 -11.080 -3.492 -2.986 1.00 0.52 H new ATOM 0 HB2 LEU A 5 -11.574 -6.247 -1.808 1.00 0.73 H new ATOM 0 HB3 LEU A 5 -11.773 -4.886 -0.723 1.00 0.73 H new ATOM 0 HG LEU A 5 -13.920 -5.443 -1.814 1.00 0.84 H new ATOM 0 HD11 LEU A 5 -14.453 -3.206 -2.741 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -13.463 -3.074 -1.268 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -12.715 -2.846 -2.867 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -14.177 -5.154 -4.266 1.00 0.86 H new ATOM 0 HD22 LEU A 5 -12.435 -4.816 -4.406 1.00 0.86 H new ATOM 0 HD23 LEU A 5 -12.990 -6.426 -3.888 1.00 0.86 H new ATOM 76 N ASN A 6 -8.636 -4.892 -1.319 1.00 0.41 N ATOM 77 CA ASN A 6 -7.508 -4.566 -0.388 1.00 0.38 C ATOM 78 C ASN A 6 -6.561 -3.532 -1.012 1.00 0.35 C ATOM 79 O ASN A 6 -6.219 -2.546 -0.387 1.00 0.46 O ATOM 80 CB ASN A 6 -6.773 -5.891 -0.162 1.00 0.43 C ATOM 81 CG ASN A 6 -6.449 -6.050 1.322 1.00 0.89 C ATOM 82 OD1 ASN A 6 -5.546 -5.413 1.831 1.00 1.32 O ATOM 83 ND2 ASN A 6 -7.151 -6.880 2.044 1.00 1.46 N ATOM 0 H ASN A 6 -8.613 -5.835 -1.708 1.00 0.41 H new ATOM 0 HA ASN A 6 -7.872 -4.133 0.544 1.00 0.38 H new ATOM 0 HB2 ASN A 6 -7.390 -6.723 -0.501 1.00 0.43 H new ATOM 0 HB3 ASN A 6 -5.855 -5.914 -0.750 1.00 0.43 H new ATOM 0 HD21 ASN A 6 -6.943 -6.995 3.036 1.00 1.46 H new ATOM 0 HD22 ASN A 6 -7.908 -7.414 1.616 1.00 1.46 H new ATOM 90 N SER A 7 -6.129 -3.752 -2.233 1.00 0.37 N ATOM 91 CA SER A 7 -5.198 -2.779 -2.888 1.00 0.43 C ATOM 92 C SER A 7 -5.914 -1.452 -3.178 1.00 0.41 C ATOM 93 O SER A 7 -5.308 -0.400 -3.145 1.00 0.49 O ATOM 94 CB SER A 7 -4.762 -3.445 -4.195 1.00 0.56 C ATOM 95 OG SER A 7 -3.527 -2.881 -4.621 1.00 0.77 O ATOM 0 H SER A 7 -6.381 -4.561 -2.801 1.00 0.37 H new ATOM 0 HA SER A 7 -4.348 -2.545 -2.247 1.00 0.43 H new ATOM 0 HB2 SER A 7 -4.653 -4.520 -4.050 1.00 0.56 H new ATOM 0 HB3 SER A 7 -5.524 -3.302 -4.961 1.00 0.56 H new ATOM 0 HG SER A 7 -3.244 -3.306 -5.457 1.00 0.77 H new ATOM 101 N LEU A 8 -7.195 -1.493 -3.465 1.00 0.40 N ATOM 102 CA LEU A 8 -7.939 -0.227 -3.759 1.00 0.45 C ATOM 103 C LEU A 8 -8.027 0.651 -2.506 1.00 0.40 C ATOM 104 O LEU A 8 -7.694 1.821 -2.540 1.00 0.47 O ATOM 105 CB LEU A 8 -9.336 -0.670 -4.203 1.00 0.55 C ATOM 106 CG LEU A 8 -9.922 0.374 -5.157 1.00 0.89 C ATOM 107 CD1 LEU A 8 -10.001 -0.212 -6.569 1.00 1.26 C ATOM 108 CD2 LEU A 8 -11.325 0.770 -4.683 1.00 1.27 C ATOM 0 H LEU A 8 -7.754 -2.345 -3.508 1.00 0.40 H new ATOM 0 HA LEU A 8 -7.439 0.367 -4.524 1.00 0.45 H new ATOM 0 HB2 LEU A 8 -9.282 -1.640 -4.697 1.00 0.55 H new ATOM 0 HB3 LEU A 8 -9.984 -0.790 -3.335 1.00 0.55 H new ATOM 0 HG LEU A 8 -9.283 1.257 -5.168 1.00 0.89 H new ATOM 0 HD11 LEU A 8 -10.418 0.531 -7.249 1.00 1.26 H new ATOM 0 HD12 LEU A 8 -9.002 -0.490 -6.904 1.00 1.26 H new ATOM 0 HD13 LEU A 8 -10.639 -1.095 -6.561 1.00 1.26 H new ATOM 0 HD21 LEU A 8 -11.742 1.513 -5.362 1.00 1.27 H new ATOM 0 HD22 LEU A 8 -11.967 -0.111 -4.670 1.00 1.27 H new ATOM 0 HD23 LEU A 8 -11.265 1.189 -3.679 1.00 1.27 H new ATOM 120 N ASN A 9 -8.472 0.098 -1.402 1.00 0.38 N ATOM 121 CA ASN A 9 -8.583 0.903 -0.145 1.00 0.39 C ATOM 122 C ASN A 9 -7.193 1.300 0.366 1.00 0.35 C ATOM 123 O ASN A 9 -6.981 2.418 0.797 1.00 0.39 O ATOM 124 CB ASN A 9 -9.284 -0.010 0.864 1.00 0.49 C ATOM 125 CG ASN A 9 -10.029 0.844 1.891 1.00 0.73 C ATOM 126 OD1 ASN A 9 -9.445 1.304 2.853 1.00 1.20 O ATOM 127 ND2 ASN A 9 -11.303 1.080 1.727 1.00 1.02 N ATOM 0 H ASN A 9 -8.763 -0.876 -1.318 1.00 0.38 H new ATOM 0 HA ASN A 9 -9.136 1.828 -0.306 1.00 0.39 H new ATOM 0 HB2 ASN A 9 -9.982 -0.671 0.350 1.00 0.49 H new ATOM 0 HB3 ASN A 9 -8.554 -0.645 1.365 1.00 0.49 H new ATOM 0 HD21 ASN A 9 -11.808 1.650 2.406 1.00 1.02 H new ATOM 0 HD22 ASN A 9 -11.793 0.694 0.920 1.00 1.02 H new ATOM 134 N ASN A 10 -6.247 0.392 0.321 1.00 0.33 N ATOM 135 CA ASN A 10 -4.869 0.714 0.806 1.00 0.34 C ATOM 136 C ASN A 10 -4.216 1.772 -0.095 1.00 0.33 C ATOM 137 O ASN A 10 -3.649 2.732 0.385 1.00 0.42 O ATOM 138 CB ASN A 10 -4.094 -0.608 0.732 1.00 0.41 C ATOM 139 CG ASN A 10 -2.658 -0.392 1.219 1.00 0.47 C ATOM 140 OD1 ASN A 10 -2.380 -0.502 2.396 1.00 0.66 O ATOM 141 ND2 ASN A 10 -1.727 -0.086 0.354 1.00 0.52 N ATOM 0 H ASN A 10 -6.371 -0.557 -0.031 1.00 0.33 H new ATOM 0 HA ASN A 10 -4.879 1.123 1.816 1.00 0.34 H new ATOM 0 HB2 ASN A 10 -4.586 -1.364 1.344 1.00 0.41 H new ATOM 0 HB3 ASN A 10 -4.089 -0.981 -0.292 1.00 0.41 H new ATOM 0 HD21 ASN A 10 -0.768 0.060 0.668 1.00 0.52 H new ATOM 0 HD22 ASN A 10 -1.960 0.006 -0.635 1.00 0.52 H new ATOM 148 N PHE A 11 -4.286 1.597 -1.393 1.00 0.30 N ATOM 149 CA PHE A 11 -3.660 2.592 -2.321 1.00 0.33 C ATOM 150 C PHE A 11 -4.403 3.939 -2.290 1.00 0.28 C ATOM 151 O PHE A 11 -3.867 4.947 -2.700 1.00 0.31 O ATOM 152 CB PHE A 11 -3.743 1.956 -3.715 1.00 0.42 C ATOM 153 CG PHE A 11 -2.949 2.777 -4.711 1.00 0.42 C ATOM 154 CD1 PHE A 11 -1.852 3.541 -4.288 1.00 0.64 C ATOM 155 CD2 PHE A 11 -3.317 2.775 -6.062 1.00 0.60 C ATOM 156 CE1 PHE A 11 -1.127 4.300 -5.213 1.00 0.66 C ATOM 157 CE2 PHE A 11 -2.590 3.534 -6.985 1.00 0.73 C ATOM 158 CZ PHE A 11 -1.496 4.296 -6.561 1.00 0.62 C ATOM 0 H PHE A 11 -4.748 0.810 -1.849 1.00 0.30 H new ATOM 0 HA PHE A 11 -2.632 2.811 -2.032 1.00 0.33 H new ATOM 0 HB2 PHE A 11 -3.357 0.937 -3.682 1.00 0.42 H new ATOM 0 HB3 PHE A 11 -4.784 1.892 -4.033 1.00 0.42 H new ATOM 0 HD1 PHE A 11 -1.566 3.544 -3.246 1.00 0.64 H new ATOM 0 HD2 PHE A 11 -4.162 2.188 -6.391 1.00 0.60 H new ATOM 0 HE1 PHE A 11 -0.283 4.889 -4.886 1.00 0.66 H new ATOM 0 HE2 PHE A 11 -2.874 3.532 -8.027 1.00 0.73 H new ATOM 0 HZ PHE A 11 -0.936 4.881 -7.276 1.00 0.62 H new ATOM 168 N ASP A 12 -5.623 3.975 -1.807 1.00 0.31 N ATOM 169 CA ASP A 12 -6.369 5.272 -1.754 1.00 0.31 C ATOM 170 C ASP A 12 -5.767 6.177 -0.669 1.00 0.28 C ATOM 171 O ASP A 12 -5.286 7.265 -0.951 1.00 0.29 O ATOM 172 CB ASP A 12 -7.817 4.902 -1.410 1.00 0.37 C ATOM 173 CG ASP A 12 -8.722 5.206 -2.608 1.00 0.50 C ATOM 174 OD1 ASP A 12 -9.220 6.318 -2.682 1.00 0.74 O ATOM 175 OD2 ASP A 12 -8.901 4.323 -3.430 1.00 0.71 O ATOM 0 H ASP A 12 -6.132 3.167 -1.449 1.00 0.31 H new ATOM 0 HA ASP A 12 -6.312 5.817 -2.696 1.00 0.31 H new ATOM 0 HB2 ASP A 12 -7.882 3.845 -1.151 1.00 0.37 H new ATOM 0 HB3 ASP A 12 -8.150 5.465 -0.538 1.00 0.37 H new ATOM 180 N PHE A 13 -5.776 5.732 0.568 1.00 0.29 N ATOM 181 CA PHE A 13 -5.195 6.562 1.668 1.00 0.30 C ATOM 182 C PHE A 13 -3.676 6.695 1.481 1.00 0.27 C ATOM 183 O PHE A 13 -3.084 7.679 1.881 1.00 0.31 O ATOM 184 CB PHE A 13 -5.574 5.839 2.978 1.00 0.35 C ATOM 185 CG PHE A 13 -4.411 5.049 3.553 1.00 0.32 C ATOM 186 CD1 PHE A 13 -3.477 5.682 4.386 1.00 0.37 C ATOM 187 CD2 PHE A 13 -4.287 3.680 3.280 1.00 0.36 C ATOM 188 CE1 PHE A 13 -2.425 4.947 4.943 1.00 0.39 C ATOM 189 CE2 PHE A 13 -3.230 2.948 3.835 1.00 0.38 C ATOM 190 CZ PHE A 13 -2.302 3.582 4.669 1.00 0.36 C ATOM 0 H PHE A 13 -6.160 4.833 0.860 1.00 0.29 H new ATOM 0 HA PHE A 13 -5.581 7.581 1.677 1.00 0.30 H new ATOM 0 HB2 PHE A 13 -5.911 6.572 3.711 1.00 0.35 H new ATOM 0 HB3 PHE A 13 -6.411 5.166 2.791 1.00 0.35 H new ATOM 0 HD1 PHE A 13 -3.570 6.737 4.597 1.00 0.37 H new ATOM 0 HD2 PHE A 13 -5.007 3.189 2.641 1.00 0.36 H new ATOM 0 HE1 PHE A 13 -1.707 5.435 5.586 1.00 0.39 H new ATOM 0 HE2 PHE A 13 -3.131 1.894 3.619 1.00 0.38 H new ATOM 0 HZ PHE A 13 -1.490 3.016 5.101 1.00 0.36 H new ATOM 200 N LEU A 14 -3.043 5.732 0.854 1.00 0.24 N ATOM 201 CA LEU A 14 -1.574 5.845 0.631 1.00 0.22 C ATOM 202 C LEU A 14 -1.299 6.710 -0.599 1.00 0.19 C ATOM 203 O LEU A 14 -0.302 7.375 -0.661 1.00 0.22 O ATOM 204 CB LEU A 14 -1.056 4.423 0.398 1.00 0.25 C ATOM 205 CG LEU A 14 0.223 4.168 1.220 1.00 0.28 C ATOM 206 CD1 LEU A 14 0.992 5.471 1.479 1.00 0.33 C ATOM 207 CD2 LEU A 14 -0.176 3.542 2.554 1.00 0.40 C ATOM 0 H LEU A 14 -3.478 4.883 0.492 1.00 0.24 H new ATOM 0 HA LEU A 14 -1.080 6.309 1.484 1.00 0.22 H new ATOM 0 HB2 LEU A 14 -1.823 3.701 0.677 1.00 0.25 H new ATOM 0 HB3 LEU A 14 -0.849 4.275 -0.662 1.00 0.25 H new ATOM 0 HG LEU A 14 0.875 3.500 0.657 1.00 0.28 H new ATOM 0 HD11 LEU A 14 1.888 5.255 2.061 1.00 0.33 H new ATOM 0 HD12 LEU A 14 1.277 5.921 0.528 1.00 0.33 H new ATOM 0 HD13 LEU A 14 0.358 6.164 2.033 1.00 0.33 H new ATOM 0 HD21 LEU A 14 0.717 3.354 3.150 1.00 0.40 H new ATOM 0 HD22 LEU A 14 -0.835 4.223 3.093 1.00 0.40 H new ATOM 0 HD23 LEU A 14 -0.696 2.601 2.373 1.00 0.40 H new ATOM 219 N ALA A 15 -2.171 6.709 -1.580 1.00 0.21 N ATOM 220 CA ALA A 15 -1.929 7.550 -2.800 1.00 0.22 C ATOM 221 C ALA A 15 -1.498 8.965 -2.386 1.00 0.22 C ATOM 222 O ALA A 15 -0.459 9.453 -2.800 1.00 0.26 O ATOM 223 CB ALA A 15 -3.269 7.591 -3.541 1.00 0.27 C ATOM 0 H ALA A 15 -3.035 6.167 -1.591 1.00 0.21 H new ATOM 0 HA ALA A 15 -1.136 7.143 -3.428 1.00 0.22 H new ATOM 0 HB1 ALA A 15 -3.166 8.190 -4.446 1.00 0.27 H new ATOM 0 HB2 ALA A 15 -3.568 6.578 -3.809 1.00 0.27 H new ATOM 0 HB3 ALA A 15 -4.028 8.034 -2.896 1.00 0.27 H new ATOM 229 N ARG A 16 -2.281 9.616 -1.554 1.00 0.24 N ATOM 230 CA ARG A 16 -1.909 10.993 -1.097 1.00 0.28 C ATOM 231 C ARG A 16 -0.693 10.925 -0.154 1.00 0.26 C ATOM 232 O ARG A 16 0.172 11.781 -0.186 1.00 0.31 O ATOM 233 CB ARG A 16 -3.177 11.553 -0.405 1.00 0.36 C ATOM 234 CG ARG A 16 -2.978 11.745 1.110 1.00 0.51 C ATOM 235 CD ARG A 16 -3.689 10.622 1.870 1.00 0.91 C ATOM 236 NE ARG A 16 -3.958 11.179 3.229 1.00 1.64 N ATOM 237 CZ ARG A 16 -3.334 10.698 4.272 1.00 2.71 C ATOM 238 NH1 ARG A 16 -2.185 11.203 4.638 1.00 3.47 N ATOM 239 NH2 ARG A 16 -3.859 9.711 4.949 1.00 3.39 N ATOM 0 H ARG A 16 -3.156 9.254 -1.175 1.00 0.24 H new ATOM 0 HA ARG A 16 -1.608 11.647 -1.916 1.00 0.28 H new ATOM 0 HB2 ARG A 16 -3.444 12.508 -0.858 1.00 0.36 H new ATOM 0 HB3 ARG A 16 -4.012 10.874 -0.577 1.00 0.36 H new ATOM 0 HG2 ARG A 16 -1.915 11.743 1.350 1.00 0.51 H new ATOM 0 HG3 ARG A 16 -3.373 12.713 1.419 1.00 0.51 H new ATOM 0 HD2 ARG A 16 -4.615 10.334 1.372 1.00 0.91 H new ATOM 0 HD3 ARG A 16 -3.066 9.729 1.926 1.00 0.91 H new ATOM 0 HE ARG A 16 -4.631 11.937 3.344 1.00 1.64 H new ATOM 0 HH11 ARG A 16 -1.775 11.973 4.110 1.00 3.47 H new ATOM 0 HH12 ARG A 16 -1.699 10.827 5.452 1.00 3.47 H new ATOM 0 HH21 ARG A 16 -4.755 9.316 4.663 1.00 3.39 H new ATOM 0 HH22 ARG A 16 -3.373 9.335 5.763 1.00 3.39 H new ATOM 253 N SER A 17 -0.618 9.909 0.675 1.00 0.23 N ATOM 254 CA SER A 17 0.541 9.777 1.616 1.00 0.23 C ATOM 255 C SER A 17 1.825 9.375 0.863 1.00 0.23 C ATOM 256 O SER A 17 2.911 9.753 1.247 1.00 0.30 O ATOM 257 CB SER A 17 0.126 8.680 2.596 1.00 0.25 C ATOM 258 OG SER A 17 0.927 8.768 3.766 1.00 0.79 O ATOM 0 H SER A 17 -1.312 9.164 0.740 1.00 0.23 H new ATOM 0 HA SER A 17 0.765 10.718 2.118 1.00 0.23 H new ATOM 0 HB2 SER A 17 -0.928 8.786 2.854 1.00 0.25 H new ATOM 0 HB3 SER A 17 0.244 7.700 2.134 1.00 0.25 H new ATOM 0 HG SER A 17 0.662 8.067 4.397 1.00 0.79 H new ATOM 264 N PHE A 18 1.700 8.617 -0.206 1.00 0.21 N ATOM 265 CA PHE A 18 2.900 8.188 -0.998 1.00 0.21 C ATOM 266 C PHE A 18 3.686 9.428 -1.431 1.00 0.24 C ATOM 267 O PHE A 18 4.881 9.524 -1.226 1.00 0.29 O ATOM 268 CB PHE A 18 2.342 7.479 -2.241 1.00 0.22 C ATOM 269 CG PHE A 18 2.411 5.977 -2.080 1.00 0.21 C ATOM 270 CD1 PHE A 18 3.649 5.320 -2.040 1.00 0.25 C ATOM 271 CD2 PHE A 18 1.228 5.235 -1.991 1.00 0.22 C ATOM 272 CE1 PHE A 18 3.697 3.924 -1.913 1.00 0.26 C ATOM 273 CE2 PHE A 18 1.279 3.846 -1.859 1.00 0.24 C ATOM 274 CZ PHE A 18 2.507 3.190 -1.820 1.00 0.24 C ATOM 0 H PHE A 18 0.809 8.275 -0.565 1.00 0.21 H new ATOM 0 HA PHE A 18 3.562 7.541 -0.423 1.00 0.21 H new ATOM 0 HB2 PHE A 18 1.309 7.784 -2.406 1.00 0.22 H new ATOM 0 HB3 PHE A 18 2.908 7.781 -3.122 1.00 0.22 H new ATOM 0 HD1 PHE A 18 4.565 5.888 -2.107 1.00 0.25 H new ATOM 0 HD2 PHE A 18 0.273 5.738 -2.025 1.00 0.22 H new ATOM 0 HE1 PHE A 18 4.650 3.416 -1.887 1.00 0.26 H new ATOM 0 HE2 PHE A 18 0.363 3.278 -1.787 1.00 0.24 H new ATOM 0 HZ PHE A 18 2.542 2.115 -1.718 1.00 0.24 H new ATOM 284 N ALA A 19 3.003 10.382 -2.027 1.00 0.25 N ATOM 285 CA ALA A 19 3.680 11.637 -2.477 1.00 0.29 C ATOM 286 C ALA A 19 4.307 12.360 -1.274 1.00 0.30 C ATOM 287 O ALA A 19 5.400 12.889 -1.362 1.00 0.37 O ATOM 288 CB ALA A 19 2.568 12.489 -3.093 1.00 0.32 C ATOM 0 H ALA A 19 2.002 10.341 -2.220 1.00 0.25 H new ATOM 0 HA ALA A 19 4.484 11.441 -3.187 1.00 0.29 H new ATOM 0 HB1 ALA A 19 2.986 13.431 -3.449 1.00 0.32 H new ATOM 0 HB2 ALA A 19 2.119 11.953 -3.929 1.00 0.32 H new ATOM 0 HB3 ALA A 19 1.806 12.691 -2.341 1.00 0.32 H new ATOM 294 N ARG A 20 3.624 12.376 -0.149 1.00 0.29 N ATOM 295 CA ARG A 20 4.178 13.054 1.068 1.00 0.31 C ATOM 296 C ARG A 20 5.377 12.269 1.618 1.00 0.30 C ATOM 297 O ARG A 20 6.337 12.845 2.097 1.00 0.37 O ATOM 298 CB ARG A 20 3.031 13.059 2.083 1.00 0.34 C ATOM 299 CG ARG A 20 3.286 14.140 3.136 1.00 0.47 C ATOM 300 CD ARG A 20 2.425 13.869 4.373 1.00 0.58 C ATOM 301 NE ARG A 20 3.337 13.197 5.342 1.00 0.70 N ATOM 302 CZ ARG A 20 3.106 11.966 5.713 1.00 0.91 C ATOM 303 NH1 ARG A 20 2.286 11.725 6.701 1.00 1.22 N ATOM 304 NH2 ARG A 20 3.700 10.977 5.097 1.00 1.16 N ATOM 0 H ARG A 20 2.707 11.948 -0.023 1.00 0.29 H new ATOM 0 HA ARG A 20 4.532 14.061 0.849 1.00 0.31 H new ATOM 0 HB2 ARG A 20 2.084 13.246 1.577 1.00 0.34 H new ATOM 0 HB3 ARG A 20 2.950 12.083 2.561 1.00 0.34 H new ATOM 0 HG2 ARG A 20 4.341 14.152 3.411 1.00 0.47 H new ATOM 0 HG3 ARG A 20 3.052 15.123 2.726 1.00 0.47 H new ATOM 0 HD2 ARG A 20 2.025 14.795 4.785 1.00 0.58 H new ATOM 0 HD3 ARG A 20 1.573 13.235 4.129 1.00 0.58 H new ATOM 0 HE ARG A 20 4.142 13.699 5.716 1.00 0.70 H new ATOM 0 HH11 ARG A 20 1.826 12.498 7.182 1.00 1.22 H new ATOM 0 HH12 ARG A 20 2.105 10.764 6.991 1.00 1.22 H new ATOM 0 HH21 ARG A 20 4.343 11.167 4.328 1.00 1.16 H new ATOM 0 HH22 ARG A 20 3.521 10.015 5.386 1.00 1.16 H new ATOM 318 N MET A 21 5.328 10.958 1.546 1.00 0.27 N ATOM 319 CA MET A 21 6.464 10.121 2.054 1.00 0.27 C ATOM 320 C MET A 21 7.730 10.375 1.222 1.00 0.30 C ATOM 321 O MET A 21 8.833 10.146 1.680 1.00 0.36 O ATOM 322 CB MET A 21 6.001 8.672 1.888 1.00 0.29 C ATOM 323 CG MET A 21 4.883 8.366 2.890 1.00 0.34 C ATOM 324 SD MET A 21 5.588 7.604 4.372 1.00 0.53 S ATOM 325 CE MET A 21 4.110 6.697 4.886 1.00 0.94 C ATOM 0 H MET A 21 4.547 10.430 1.156 1.00 0.27 H new ATOM 0 HA MET A 21 6.711 10.355 3.090 1.00 0.27 H new ATOM 0 HB2 MET A 21 5.645 8.509 0.871 1.00 0.29 H new ATOM 0 HB3 MET A 21 6.839 7.993 2.045 1.00 0.29 H new ATOM 0 HG2 MET A 21 4.358 9.283 3.155 1.00 0.34 H new ATOM 0 HG3 MET A 21 4.150 7.698 2.439 1.00 0.34 H new ATOM 0 HE1 MET A 21 4.322 6.144 5.801 1.00 0.94 H new ATOM 0 HE2 MET A 21 3.297 7.400 5.068 1.00 0.94 H new ATOM 0 HE3 MET A 21 3.819 6.000 4.100 1.00 0.94 H new ATOM 335 N HIS A 22 7.578 10.851 0.005 1.00 0.32 N ATOM 336 CA HIS A 22 8.768 11.129 -0.859 1.00 0.38 C ATOM 337 C HIS A 22 9.679 12.171 -0.194 1.00 0.43 C ATOM 338 O HIS A 22 10.888 12.033 -0.190 1.00 0.54 O ATOM 339 CB HIS A 22 8.188 11.676 -2.167 1.00 0.42 C ATOM 340 CG HIS A 22 9.247 11.663 -3.233 1.00 0.52 C ATOM 341 ND1 HIS A 22 10.012 12.780 -3.527 1.00 0.73 N ATOM 342 CD2 HIS A 22 9.680 10.678 -4.084 1.00 0.64 C ATOM 343 CE1 HIS A 22 10.858 12.443 -4.517 1.00 0.86 C ATOM 344 NE2 HIS A 22 10.697 11.172 -4.895 1.00 0.81 N ATOM 0 H HIS A 22 6.677 11.059 -0.425 1.00 0.32 H new ATOM 0 HA HIS A 22 9.376 10.239 -1.023 1.00 0.38 H new ATOM 0 HB2 HIS A 22 7.336 11.072 -2.479 1.00 0.42 H new ATOM 0 HB3 HIS A 22 7.821 12.691 -2.017 1.00 0.42 H new ATOM 0 HD2 HIS A 22 9.290 9.671 -4.119 1.00 0.64 H new ATOM 0 HE1 HIS A 22 11.580 13.118 -4.953 1.00 0.86 H new ATOM 0 HE2 HIS A 22 11.209 10.672 -5.621 1.00 0.81 H new ATOM 352 N ALA A 23 9.106 13.206 0.370 1.00 0.45 N ATOM 353 CA ALA A 23 9.934 14.256 1.042 1.00 0.53 C ATOM 354 C ALA A 23 10.306 13.819 2.467 1.00 0.50 C ATOM 355 O ALA A 23 11.357 14.167 2.971 1.00 0.57 O ATOM 356 CB ALA A 23 9.048 15.503 1.079 1.00 0.65 C ATOM 0 H ALA A 23 8.099 13.369 0.394 1.00 0.45 H new ATOM 0 HA ALA A 23 10.870 14.436 0.513 1.00 0.53 H new ATOM 0 HB1 ALA A 23 9.588 16.319 1.559 1.00 0.65 H new ATOM 0 HB2 ALA A 23 8.784 15.792 0.062 1.00 0.65 H new ATOM 0 HB3 ALA A 23 8.140 15.288 1.643 1.00 0.65 H new ATOM 362 N GLU A 24 9.453 13.061 3.119 1.00 0.45 N ATOM 363 CA GLU A 24 9.758 12.606 4.514 1.00 0.45 C ATOM 364 C GLU A 24 10.840 11.514 4.511 1.00 0.43 C ATOM 365 O GLU A 24 11.573 11.361 5.470 1.00 0.50 O ATOM 366 CB GLU A 24 8.441 12.033 5.044 1.00 0.48 C ATOM 367 CG GLU A 24 7.531 13.173 5.513 1.00 0.57 C ATOM 368 CD GLU A 24 7.066 12.903 6.945 1.00 0.91 C ATOM 369 OE1 GLU A 24 7.874 13.054 7.849 1.00 1.37 O ATOM 370 OE2 GLU A 24 5.912 12.549 7.115 1.00 1.18 O ATOM 0 H GLU A 24 8.560 12.739 2.745 1.00 0.45 H new ATOM 0 HA GLU A 24 10.135 13.424 5.128 1.00 0.45 H new ATOM 0 HB2 GLU A 24 7.944 11.456 4.264 1.00 0.48 H new ATOM 0 HB3 GLU A 24 8.637 11.349 5.870 1.00 0.48 H new ATOM 0 HG2 GLU A 24 8.066 14.121 5.467 1.00 0.57 H new ATOM 0 HG3 GLU A 24 6.670 13.260 4.851 1.00 0.57 H new ATOM 377 N GLY A 25 10.945 10.755 3.446 1.00 0.38 N ATOM 378 CA GLY A 25 11.975 9.674 3.384 1.00 0.39 C ATOM 379 C GLY A 25 11.535 8.487 4.250 1.00 0.35 C ATOM 380 O GLY A 25 12.304 7.963 5.033 1.00 0.43 O ATOM 0 H GLY A 25 10.359 10.839 2.615 1.00 0.38 H new ATOM 0 HA2 GLY A 25 12.115 9.351 2.352 1.00 0.39 H new ATOM 0 HA3 GLY A 25 12.935 10.054 3.732 1.00 0.39 H new ATOM 384 N ARG A 26 10.302 8.061 4.110 1.00 0.33 N ATOM 385 CA ARG A 26 9.802 6.905 4.918 1.00 0.31 C ATOM 386 C ARG A 26 9.481 5.720 3.995 1.00 0.27 C ATOM 387 O ARG A 26 9.251 5.908 2.816 1.00 0.28 O ATOM 388 CB ARG A 26 8.531 7.420 5.598 1.00 0.36 C ATOM 389 CG ARG A 26 8.863 7.890 7.016 1.00 0.60 C ATOM 390 CD ARG A 26 7.589 7.900 7.864 1.00 0.82 C ATOM 391 NE ARG A 26 6.967 9.238 7.626 1.00 1.01 N ATOM 392 CZ ARG A 26 6.139 9.741 8.506 1.00 1.39 C ATOM 393 NH1 ARG A 26 6.592 10.160 9.661 1.00 2.27 N ATOM 394 NH2 ARG A 26 4.863 9.824 8.229 1.00 1.61 N ATOM 0 H ARG A 26 9.619 8.466 3.469 1.00 0.33 H new ATOM 0 HA ARG A 26 10.536 6.554 5.643 1.00 0.31 H new ATOM 0 HB2 ARG A 26 8.105 8.242 5.022 1.00 0.36 H new ATOM 0 HB3 ARG A 26 7.779 6.631 5.632 1.00 0.36 H new ATOM 0 HG2 ARG A 26 9.605 7.230 7.464 1.00 0.60 H new ATOM 0 HG3 ARG A 26 9.300 8.888 6.986 1.00 0.60 H new ATOM 0 HD2 ARG A 26 6.915 7.095 7.571 1.00 0.82 H new ATOM 0 HD3 ARG A 26 7.818 7.755 8.920 1.00 0.82 H new ATOM 0 HE ARG A 26 7.188 9.759 6.778 1.00 1.01 H new ATOM 0 HH11 ARG A 26 7.588 10.094 9.873 1.00 2.27 H new ATOM 0 HH12 ARG A 26 5.949 10.553 10.349 1.00 2.27 H new ATOM 0 HH21 ARG A 26 4.514 9.497 7.328 1.00 1.61 H new ATOM 0 HH22 ARG A 26 4.217 10.216 8.914 1.00 1.61 H new ATOM 408 N PRO A 27 9.487 4.531 4.559 1.00 0.27 N ATOM 409 CA PRO A 27 9.202 3.316 3.759 1.00 0.26 C ATOM 410 C PRO A 27 7.709 3.212 3.434 1.00 0.25 C ATOM 411 O PRO A 27 6.864 3.209 4.310 1.00 0.32 O ATOM 412 CB PRO A 27 9.668 2.171 4.653 1.00 0.31 C ATOM 413 CG PRO A 27 9.610 2.707 6.047 1.00 0.34 C ATOM 414 CD PRO A 27 9.755 4.209 5.969 1.00 0.33 C ATOM 0 HA PRO A 27 9.707 3.315 2.793 1.00 0.26 H new ATOM 0 HB2 PRO A 27 9.025 1.298 4.541 1.00 0.31 H new ATOM 0 HB3 PRO A 27 10.679 1.857 4.394 1.00 0.31 H new ATOM 0 HG2 PRO A 27 8.666 2.438 6.521 1.00 0.34 H new ATOM 0 HG3 PRO A 27 10.406 2.277 6.655 1.00 0.34 H new ATOM 0 HD2 PRO A 27 9.050 4.711 6.632 1.00 0.33 H new ATOM 0 HD3 PRO A 27 10.754 4.527 6.266 1.00 0.33 H new ATOM 422 N VAL A 28 7.394 3.135 2.168 1.00 0.23 N ATOM 423 CA VAL A 28 5.968 3.038 1.730 1.00 0.23 C ATOM 424 C VAL A 28 5.803 1.790 0.856 1.00 0.24 C ATOM 425 O VAL A 28 6.643 1.500 0.025 1.00 0.27 O ATOM 426 CB VAL A 28 5.713 4.320 0.920 1.00 0.22 C ATOM 427 CG1 VAL A 28 4.227 4.646 0.928 1.00 0.27 C ATOM 428 CG2 VAL A 28 6.464 5.499 1.547 1.00 0.28 C ATOM 0 H VAL A 28 8.073 3.135 1.407 1.00 0.23 H new ATOM 0 HA VAL A 28 5.266 2.951 2.559 1.00 0.23 H new ATOM 0 HB VAL A 28 6.061 4.157 -0.100 1.00 0.22 H new ATOM 0 HG11 VAL A 28 4.051 5.555 0.353 1.00 0.27 H new ATOM 0 HG12 VAL A 28 3.671 3.821 0.482 1.00 0.27 H new ATOM 0 HG13 VAL A 28 3.893 4.796 1.955 1.00 0.27 H new ATOM 0 HG21 VAL A 28 6.276 6.401 0.965 1.00 0.28 H new ATOM 0 HG22 VAL A 28 6.118 5.648 2.570 1.00 0.28 H new ATOM 0 HG23 VAL A 28 7.533 5.287 1.553 1.00 0.28 H new ATOM 438 N ASP A 29 4.745 1.038 1.046 1.00 0.26 N ATOM 439 CA ASP A 29 4.560 -0.204 0.229 1.00 0.28 C ATOM 440 C ASP A 29 4.233 0.150 -1.227 1.00 0.24 C ATOM 441 O ASP A 29 3.078 0.212 -1.628 1.00 0.25 O ATOM 442 CB ASP A 29 3.384 -0.940 0.881 1.00 0.33 C ATOM 443 CG ASP A 29 3.497 -2.440 0.600 1.00 0.42 C ATOM 444 OD1 ASP A 29 3.135 -2.848 -0.491 1.00 0.53 O ATOM 445 OD2 ASP A 29 3.942 -3.155 1.483 1.00 0.55 O ATOM 0 H ASP A 29 4.008 1.228 1.725 1.00 0.26 H new ATOM 0 HA ASP A 29 5.463 -0.815 0.207 1.00 0.28 H new ATOM 0 HB2 ASP A 29 3.381 -0.761 1.956 1.00 0.33 H new ATOM 0 HB3 ASP A 29 2.441 -0.557 0.491 1.00 0.33 H new ATOM 450 N ILE A 30 5.241 0.346 -2.039 1.00 0.23 N ATOM 451 CA ILE A 30 4.977 0.671 -3.467 1.00 0.22 C ATOM 452 C ILE A 30 4.404 -0.558 -4.174 1.00 0.23 C ATOM 453 O ILE A 30 3.658 -0.430 -5.121 1.00 0.27 O ATOM 454 CB ILE A 30 6.323 1.081 -4.071 1.00 0.23 C ATOM 455 CG1 ILE A 30 6.736 2.449 -3.507 1.00 0.22 C ATOM 456 CG2 ILE A 30 6.189 1.176 -5.595 1.00 0.30 C ATOM 457 CD1 ILE A 30 5.780 3.536 -4.011 1.00 0.26 C ATOM 0 H ILE A 30 6.225 0.295 -1.775 1.00 0.23 H new ATOM 0 HA ILE A 30 4.250 1.476 -3.577 1.00 0.22 H new ATOM 0 HB ILE A 30 7.080 0.338 -3.819 1.00 0.23 H new ATOM 0 HG12 ILE A 30 6.725 2.420 -2.417 1.00 0.22 H new ATOM 0 HG13 ILE A 30 7.757 2.683 -3.809 1.00 0.22 H new ATOM 0 HG21 ILE A 30 7.146 1.468 -6.027 1.00 0.30 H new ATOM 0 HG22 ILE A 30 5.891 0.207 -5.995 1.00 0.30 H new ATOM 0 HG23 ILE A 30 5.435 1.921 -5.848 1.00 0.30 H new ATOM 0 HD11 ILE A 30 6.081 4.502 -3.606 1.00 0.26 H new ATOM 0 HD12 ILE A 30 5.813 3.573 -5.100 1.00 0.26 H new ATOM 0 HD13 ILE A 30 4.765 3.307 -3.686 1.00 0.26 H new ATOM 469 N LEU A 31 4.724 -1.746 -3.703 1.00 0.26 N ATOM 470 CA LEU A 31 4.164 -2.983 -4.334 1.00 0.31 C ATOM 471 C LEU A 31 2.643 -2.834 -4.441 1.00 0.32 C ATOM 472 O LEU A 31 2.047 -3.145 -5.455 1.00 0.35 O ATOM 473 CB LEU A 31 4.558 -4.127 -3.380 1.00 0.38 C ATOM 474 CG LEU A 31 3.771 -5.413 -3.692 1.00 0.45 C ATOM 475 CD1 LEU A 31 2.391 -5.348 -3.029 1.00 0.47 C ATOM 476 CD2 LEU A 31 3.608 -5.584 -5.209 1.00 0.47 C ATOM 0 H LEU A 31 5.347 -1.908 -2.912 1.00 0.26 H new ATOM 0 HA LEU A 31 4.540 -3.170 -5.340 1.00 0.31 H new ATOM 0 HB2 LEU A 31 5.627 -4.323 -3.466 1.00 0.38 H new ATOM 0 HB3 LEU A 31 4.371 -3.825 -2.350 1.00 0.38 H new ATOM 0 HG LEU A 31 4.323 -6.267 -3.299 1.00 0.45 H new ATOM 0 HD11 LEU A 31 1.837 -6.260 -3.252 1.00 0.47 H new ATOM 0 HD12 LEU A 31 2.510 -5.250 -1.950 1.00 0.47 H new ATOM 0 HD13 LEU A 31 1.843 -4.487 -3.413 1.00 0.47 H new ATOM 0 HD21 LEU A 31 3.050 -6.497 -5.414 1.00 0.47 H new ATOM 0 HD22 LEU A 31 3.067 -4.729 -5.616 1.00 0.47 H new ATOM 0 HD23 LEU A 31 4.591 -5.647 -5.676 1.00 0.47 H new ATOM 488 N ALA A 32 2.025 -2.317 -3.407 1.00 0.32 N ATOM 489 CA ALA A 32 0.551 -2.091 -3.435 1.00 0.36 C ATOM 490 C ALA A 32 0.203 -1.215 -4.645 1.00 0.33 C ATOM 491 O ALA A 32 -0.787 -1.425 -5.323 1.00 0.39 O ATOM 492 CB ALA A 32 0.260 -1.342 -2.134 1.00 0.37 C ATOM 0 H ALA A 32 2.485 -2.041 -2.539 1.00 0.32 H new ATOM 0 HA ALA A 32 -0.027 -3.011 -3.517 1.00 0.36 H new ATOM 0 HB1 ALA A 32 -0.807 -1.131 -2.067 1.00 0.37 H new ATOM 0 HB2 ALA A 32 0.563 -1.955 -1.285 1.00 0.37 H new ATOM 0 HB3 ALA A 32 0.817 -0.405 -2.121 1.00 0.37 H new ATOM 498 N VAL A 33 1.030 -0.233 -4.907 1.00 0.28 N ATOM 499 CA VAL A 33 0.799 0.694 -6.063 1.00 0.28 C ATOM 500 C VAL A 33 1.136 0.032 -7.410 1.00 0.27 C ATOM 501 O VAL A 33 0.599 0.404 -8.437 1.00 0.34 O ATOM 502 CB VAL A 33 1.752 1.862 -5.803 1.00 0.28 C ATOM 503 CG1 VAL A 33 1.620 2.906 -6.909 1.00 0.29 C ATOM 504 CG2 VAL A 33 1.408 2.510 -4.468 1.00 0.41 C ATOM 0 H VAL A 33 1.868 -0.030 -4.362 1.00 0.28 H new ATOM 0 HA VAL A 33 -0.247 0.993 -6.131 1.00 0.28 H new ATOM 0 HB VAL A 33 2.774 1.484 -5.783 1.00 0.28 H new ATOM 0 HG11 VAL A 33 2.303 3.732 -6.713 1.00 0.29 H new ATOM 0 HG12 VAL A 33 1.866 2.452 -7.869 1.00 0.29 H new ATOM 0 HG13 VAL A 33 0.597 3.280 -6.936 1.00 0.29 H new ATOM 0 HG21 VAL A 33 2.087 3.342 -4.282 1.00 0.41 H new ATOM 0 HG22 VAL A 33 0.382 2.877 -4.496 1.00 0.41 H new ATOM 0 HG23 VAL A 33 1.509 1.774 -3.670 1.00 0.41 H new ATOM 514 N THR A 34 2.027 -0.925 -7.421 1.00 0.27 N ATOM 515 CA THR A 34 2.409 -1.584 -8.715 1.00 0.32 C ATOM 516 C THR A 34 1.346 -2.608 -9.143 1.00 0.41 C ATOM 517 O THR A 34 1.153 -2.849 -10.320 1.00 0.52 O ATOM 518 CB THR A 34 3.767 -2.276 -8.461 1.00 0.30 C ATOM 519 OG1 THR A 34 3.554 -3.572 -7.917 1.00 0.36 O ATOM 520 CG2 THR A 34 4.612 -1.453 -7.486 1.00 0.29 C ATOM 0 H THR A 34 2.508 -1.281 -6.595 1.00 0.27 H new ATOM 0 HA THR A 34 2.482 -0.855 -9.522 1.00 0.32 H new ATOM 0 HB THR A 34 4.296 -2.358 -9.411 1.00 0.30 H new ATOM 0 HG1 THR A 34 2.931 -3.512 -7.163 1.00 0.36 H new ATOM 0 HG21 THR A 34 5.565 -1.954 -7.318 1.00 0.29 H new ATOM 0 HG22 THR A 34 4.792 -0.463 -7.906 1.00 0.29 H new ATOM 0 HG23 THR A 34 4.082 -1.354 -6.539 1.00 0.29 H new ATOM 528 N GLY A 35 0.661 -3.210 -8.201 1.00 0.45 N ATOM 529 CA GLY A 35 -0.383 -4.218 -8.555 1.00 0.56 C ATOM 530 C GLY A 35 -1.714 -3.524 -8.882 1.00 0.61 C ATOM 531 O GLY A 35 -2.520 -4.049 -9.627 1.00 1.08 O ATOM 0 H GLY A 35 0.781 -3.046 -7.202 1.00 0.45 H new ATOM 0 HA2 GLY A 35 -0.053 -4.806 -9.411 1.00 0.56 H new ATOM 0 HA3 GLY A 35 -0.522 -4.912 -7.726 1.00 0.56 H new ATOM 535 N ASN A 36 -1.954 -2.353 -8.335 1.00 0.37 N ATOM 536 CA ASN A 36 -3.239 -1.640 -8.625 1.00 0.41 C ATOM 537 C ASN A 36 -3.178 -0.970 -10.005 1.00 0.38 C ATOM 538 O ASN A 36 -4.037 -1.182 -10.839 1.00 0.54 O ATOM 539 CB ASN A 36 -3.379 -0.591 -7.516 1.00 0.46 C ATOM 540 CG ASN A 36 -4.832 -0.111 -7.448 1.00 0.66 C ATOM 541 OD1 ASN A 36 -5.252 0.702 -8.249 1.00 1.03 O ATOM 542 ND2 ASN A 36 -5.621 -0.581 -6.520 1.00 0.88 N ATOM 0 H ASN A 36 -1.319 -1.864 -7.704 1.00 0.37 H new ATOM 0 HA ASN A 36 -4.090 -2.321 -8.644 1.00 0.41 H new ATOM 0 HB2 ASN A 36 -3.080 -1.017 -6.558 1.00 0.46 H new ATOM 0 HB3 ASN A 36 -2.715 0.251 -7.711 1.00 0.46 H new ATOM 0 HD21 ASN A 36 -6.590 -0.266 -6.467 1.00 0.88 H new ATOM 0 HD22 ASN A 36 -5.269 -1.263 -5.848 1.00 0.88 H new ATOM 549 N MET A 37 -2.167 -0.171 -10.250 1.00 0.37 N ATOM 550 CA MET A 37 -2.046 0.508 -11.579 1.00 0.40 C ATOM 551 C MET A 37 -0.677 0.205 -12.205 1.00 0.36 C ATOM 552 O MET A 37 0.270 -0.128 -11.514 1.00 0.37 O ATOM 553 CB MET A 37 -2.204 2.008 -11.291 1.00 0.44 C ATOM 554 CG MET A 37 -1.035 2.515 -10.441 1.00 0.44 C ATOM 555 SD MET A 37 -1.251 4.283 -10.116 1.00 0.46 S ATOM 556 CE MET A 37 0.502 4.701 -9.940 1.00 0.45 C ATOM 0 H MET A 37 -1.421 0.040 -9.587 1.00 0.37 H new ATOM 0 HA MET A 37 -2.798 0.162 -12.288 1.00 0.40 H new ATOM 0 HB2 MET A 37 -2.247 2.562 -12.229 1.00 0.44 H new ATOM 0 HB3 MET A 37 -3.145 2.188 -10.771 1.00 0.44 H new ATOM 0 HG2 MET A 37 -0.988 1.964 -9.502 1.00 0.44 H new ATOM 0 HG3 MET A 37 -0.092 2.342 -10.959 1.00 0.44 H new ATOM 0 HE1 MET A 37 0.620 5.453 -9.160 1.00 0.45 H new ATOM 0 HE2 MET A 37 1.064 3.807 -9.670 1.00 0.45 H new ATOM 0 HE3 MET A 37 0.879 5.095 -10.884 1.00 0.45 H new ATOM 566 N ASP A 38 -0.570 0.306 -13.508 1.00 0.38 N ATOM 567 CA ASP A 38 0.734 0.012 -14.181 1.00 0.38 C ATOM 568 C ASP A 38 1.025 1.028 -15.296 1.00 0.39 C ATOM 569 O ASP A 38 2.138 1.500 -15.428 1.00 0.38 O ATOM 570 CB ASP A 38 0.573 -1.389 -14.763 1.00 0.44 C ATOM 571 CG ASP A 38 0.789 -2.430 -13.660 1.00 0.54 C ATOM 572 OD1 ASP A 38 1.937 -2.723 -13.365 1.00 0.70 O ATOM 573 OD2 ASP A 38 -0.196 -2.911 -13.124 1.00 0.71 O ATOM 0 H ASP A 38 -1.328 0.579 -14.134 1.00 0.38 H new ATOM 0 HA ASP A 38 1.569 0.076 -13.484 1.00 0.38 H new ATOM 0 HB2 ASP A 38 -0.421 -1.503 -15.195 1.00 0.44 H new ATOM 0 HB3 ASP A 38 1.290 -1.544 -15.569 1.00 0.44 H new ATOM 578 N GLU A 39 0.038 1.366 -16.097 1.00 0.45 N ATOM 579 CA GLU A 39 0.264 2.356 -17.203 1.00 0.49 C ATOM 580 C GLU A 39 0.861 3.644 -16.632 1.00 0.42 C ATOM 581 O GLU A 39 1.938 4.063 -17.015 1.00 0.45 O ATOM 582 CB GLU A 39 -1.120 2.632 -17.795 1.00 0.59 C ATOM 583 CG GLU A 39 -1.522 1.486 -18.730 1.00 0.70 C ATOM 584 CD GLU A 39 -2.532 0.576 -18.025 1.00 0.81 C ATOM 585 OE1 GLU A 39 -3.717 0.850 -18.127 1.00 1.02 O ATOM 586 OE2 GLU A 39 -2.104 -0.378 -17.395 1.00 1.10 O ATOM 0 H GLU A 39 -0.912 1.000 -16.033 1.00 0.45 H new ATOM 0 HA GLU A 39 0.956 1.978 -17.956 1.00 0.49 H new ATOM 0 HB2 GLU A 39 -1.854 2.736 -16.996 1.00 0.59 H new ATOM 0 HB3 GLU A 39 -1.110 3.574 -18.343 1.00 0.59 H new ATOM 0 HG2 GLU A 39 -1.956 1.886 -19.646 1.00 0.70 H new ATOM 0 HG3 GLU A 39 -0.641 0.913 -19.019 1.00 0.70 H new ATOM 593 N GLU A 40 0.175 4.261 -15.703 1.00 0.40 N ATOM 594 CA GLU A 40 0.705 5.512 -15.081 1.00 0.39 C ATOM 595 C GLU A 40 1.777 5.163 -14.032 1.00 0.33 C ATOM 596 O GLU A 40 2.564 6.002 -13.636 1.00 0.37 O ATOM 597 CB GLU A 40 -0.505 6.194 -14.427 1.00 0.48 C ATOM 598 CG GLU A 40 -1.046 5.335 -13.276 1.00 0.52 C ATOM 599 CD GLU A 40 -2.467 4.866 -13.604 1.00 0.68 C ATOM 600 OE1 GLU A 40 -2.596 3.869 -14.297 1.00 0.79 O ATOM 601 OE2 GLU A 40 -3.400 5.511 -13.156 1.00 0.93 O ATOM 0 H GLU A 40 -0.730 3.952 -15.348 1.00 0.40 H new ATOM 0 HA GLU A 40 1.178 6.168 -15.812 1.00 0.39 H new ATOM 0 HB2 GLU A 40 -0.218 7.176 -14.052 1.00 0.48 H new ATOM 0 HB3 GLU A 40 -1.287 6.352 -15.170 1.00 0.48 H new ATOM 0 HG2 GLU A 40 -0.397 4.474 -13.116 1.00 0.52 H new ATOM 0 HG3 GLU A 40 -1.047 5.910 -12.350 1.00 0.52 H new ATOM 608 N HIS A 41 1.808 3.925 -13.589 1.00 0.29 N ATOM 609 CA HIS A 41 2.818 3.497 -12.573 1.00 0.27 C ATOM 610 C HIS A 41 4.235 3.498 -13.172 1.00 0.27 C ATOM 611 O HIS A 41 5.212 3.588 -12.452 1.00 0.33 O ATOM 612 CB HIS A 41 2.405 2.073 -12.191 1.00 0.29 C ATOM 613 CG HIS A 41 3.290 1.569 -11.087 1.00 0.28 C ATOM 614 ND1 HIS A 41 3.330 2.169 -9.839 1.00 0.29 N ATOM 615 CD2 HIS A 41 4.180 0.526 -11.030 1.00 0.39 C ATOM 616 CE1 HIS A 41 4.217 1.490 -9.091 1.00 0.36 C ATOM 617 NE2 HIS A 41 4.764 0.478 -9.770 1.00 0.40 N ATOM 0 H HIS A 41 1.170 3.190 -13.893 1.00 0.29 H new ATOM 0 HA HIS A 41 2.843 4.170 -11.716 1.00 0.27 H new ATOM 0 HB2 HIS A 41 1.363 2.060 -11.870 1.00 0.29 H new ATOM 0 HB3 HIS A 41 2.480 1.417 -13.058 1.00 0.29 H new ATOM 0 HD2 HIS A 41 4.394 -0.154 -11.841 1.00 0.39 H new ATOM 0 HE1 HIS A 41 4.458 1.733 -8.067 1.00 0.36 H new ATOM 0 HE2 HIS A 41 5.461 -0.187 -9.435 1.00 0.40 H new ATOM 625 N ARG A 42 4.356 3.391 -14.476 1.00 0.30 N ATOM 626 CA ARG A 42 5.712 3.379 -15.114 1.00 0.35 C ATOM 627 C ARG A 42 6.505 4.633 -14.718 1.00 0.31 C ATOM 628 O ARG A 42 7.594 4.539 -14.182 1.00 0.35 O ATOM 629 CB ARG A 42 5.452 3.357 -16.624 1.00 0.46 C ATOM 630 CG ARG A 42 6.256 2.221 -17.264 1.00 0.55 C ATOM 631 CD ARG A 42 5.368 0.981 -17.413 1.00 0.90 C ATOM 632 NE ARG A 42 5.779 0.072 -16.304 1.00 0.98 N ATOM 633 CZ ARG A 42 4.876 -0.602 -15.640 1.00 1.00 C ATOM 634 NH1 ARG A 42 4.453 -1.753 -16.099 1.00 1.56 N ATOM 635 NH2 ARG A 42 4.398 -0.126 -14.519 1.00 0.84 N ATOM 0 H ARG A 42 3.573 3.311 -15.125 1.00 0.30 H new ATOM 0 HA ARG A 42 6.303 2.521 -14.794 1.00 0.35 H new ATOM 0 HB2 ARG A 42 4.388 3.219 -16.819 1.00 0.46 H new ATOM 0 HB3 ARG A 42 5.736 4.312 -17.067 1.00 0.46 H new ATOM 0 HG2 ARG A 42 6.630 2.532 -18.239 1.00 0.55 H new ATOM 0 HG3 ARG A 42 7.125 1.986 -16.649 1.00 0.55 H new ATOM 0 HD2 ARG A 42 4.312 1.241 -17.338 1.00 0.90 H new ATOM 0 HD3 ARG A 42 5.512 0.508 -18.384 1.00 0.90 H new ATOM 0 HE ARG A 42 6.766 -0.024 -16.063 1.00 0.98 H new ATOM 0 HH11 ARG A 42 4.828 -2.122 -16.973 1.00 1.56 H new ATOM 0 HH12 ARG A 42 3.749 -2.280 -15.583 1.00 1.56 H new ATOM 0 HH21 ARG A 42 4.730 0.771 -14.163 1.00 0.84 H new ATOM 0 HH22 ARG A 42 3.694 -0.651 -14.001 1.00 0.84 H new ATOM 649 N THR A 43 5.966 5.803 -14.968 1.00 0.31 N ATOM 650 CA THR A 43 6.693 7.058 -14.594 1.00 0.32 C ATOM 651 C THR A 43 6.591 7.306 -13.078 1.00 0.26 C ATOM 652 O THR A 43 7.476 7.895 -12.479 1.00 0.28 O ATOM 653 CB THR A 43 6.020 8.185 -15.397 1.00 0.40 C ATOM 654 OG1 THR A 43 6.738 9.396 -15.200 1.00 0.49 O ATOM 655 CG2 THR A 43 4.566 8.379 -14.952 1.00 0.45 C ATOM 0 H THR A 43 5.059 5.943 -15.413 1.00 0.31 H new ATOM 0 HA THR A 43 7.757 6.998 -14.823 1.00 0.32 H new ATOM 0 HB THR A 43 6.027 7.912 -16.452 1.00 0.40 H new ATOM 0 HG1 THR A 43 6.313 10.115 -15.712 1.00 0.49 H new ATOM 0 HG21 THR A 43 4.111 9.181 -15.534 1.00 0.45 H new ATOM 0 HG22 THR A 43 4.010 7.455 -15.111 1.00 0.45 H new ATOM 0 HG23 THR A 43 4.541 8.639 -13.894 1.00 0.45 H new ATOM 663 N TRP A 44 5.529 6.846 -12.449 1.00 0.26 N ATOM 664 CA TRP A 44 5.385 7.045 -10.974 1.00 0.25 C ATOM 665 C TRP A 44 6.479 6.267 -10.236 1.00 0.24 C ATOM 666 O TRP A 44 7.204 6.828 -9.439 1.00 0.28 O ATOM 667 CB TRP A 44 3.989 6.512 -10.617 1.00 0.29 C ATOM 668 CG TRP A 44 3.889 6.286 -9.137 1.00 0.28 C ATOM 669 CD1 TRP A 44 4.174 5.120 -8.517 1.00 0.31 C ATOM 670 CD2 TRP A 44 3.490 7.219 -8.087 1.00 0.28 C ATOM 671 NE1 TRP A 44 3.973 5.271 -7.159 1.00 0.32 N ATOM 672 CE2 TRP A 44 3.550 6.546 -6.843 1.00 0.30 C ATOM 673 CE3 TRP A 44 3.084 8.567 -8.091 1.00 0.31 C ATOM 674 CZ2 TRP A 44 3.220 7.185 -5.648 1.00 0.33 C ATOM 675 CZ3 TRP A 44 2.752 9.214 -6.886 1.00 0.35 C ATOM 676 CH2 TRP A 44 2.820 8.523 -5.669 1.00 0.35 C ATOM 0 H TRP A 44 4.761 6.344 -12.895 1.00 0.26 H new ATOM 0 HA TRP A 44 5.489 8.091 -10.686 1.00 0.25 H new ATOM 0 HB2 TRP A 44 3.227 7.222 -10.937 1.00 0.29 H new ATOM 0 HB3 TRP A 44 3.800 5.580 -11.149 1.00 0.29 H new ATOM 0 HD1 TRP A 44 4.506 4.215 -9.005 1.00 0.31 H new ATOM 0 HE1 TRP A 44 4.119 4.530 -6.473 1.00 0.32 H new ATOM 0 HE3 TRP A 44 3.027 9.108 -9.024 1.00 0.31 H new ATOM 0 HZ2 TRP A 44 3.273 6.648 -4.712 1.00 0.33 H new ATOM 0 HZ3 TRP A 44 2.443 10.249 -6.899 1.00 0.35 H new ATOM 0 HH2 TRP A 44 2.563 9.025 -4.748 1.00 0.35 H new ATOM 687 N PHE A 45 6.609 4.983 -10.491 1.00 0.24 N ATOM 688 CA PHE A 45 7.667 4.202 -9.784 1.00 0.24 C ATOM 689 C PHE A 45 9.062 4.654 -10.221 1.00 0.25 C ATOM 690 O PHE A 45 10.012 4.430 -9.523 1.00 0.29 O ATOM 691 CB PHE A 45 7.454 2.723 -10.128 1.00 0.27 C ATOM 692 CG PHE A 45 7.944 1.851 -8.976 1.00 0.26 C ATOM 693 CD1 PHE A 45 8.639 2.418 -7.890 1.00 0.27 C ATOM 694 CD2 PHE A 45 7.691 0.473 -8.987 1.00 0.28 C ATOM 695 CE1 PHE A 45 9.072 1.612 -6.833 1.00 0.28 C ATOM 696 CE2 PHE A 45 8.123 -0.330 -7.924 1.00 0.29 C ATOM 697 CZ PHE A 45 8.813 0.239 -6.848 1.00 0.28 C ATOM 0 H PHE A 45 6.036 4.453 -11.148 1.00 0.24 H new ATOM 0 HA PHE A 45 7.597 4.362 -8.708 1.00 0.24 H new ATOM 0 HB2 PHE A 45 6.398 2.532 -10.317 1.00 0.27 H new ATOM 0 HB3 PHE A 45 7.992 2.471 -11.042 1.00 0.27 H new ATOM 0 HD1 PHE A 45 8.838 3.479 -7.874 1.00 0.27 H new ATOM 0 HD2 PHE A 45 7.162 0.029 -9.817 1.00 0.28 H new ATOM 0 HE1 PHE A 45 9.607 2.051 -6.004 1.00 0.28 H new ATOM 0 HE2 PHE A 45 7.923 -1.391 -7.935 1.00 0.29 H new ATOM 0 HZ PHE A 45 9.145 -0.383 -6.030 1.00 0.28 H new ATOM 707 N CYS A 46 9.203 5.300 -11.353 1.00 0.28 N ATOM 708 CA CYS A 46 10.567 5.760 -11.762 1.00 0.31 C ATOM 709 C CYS A 46 11.135 6.667 -10.657 1.00 0.29 C ATOM 710 O CYS A 46 12.173 6.385 -10.071 1.00 0.32 O ATOM 711 CB CYS A 46 10.367 6.542 -13.066 1.00 0.36 C ATOM 712 SG CYS A 46 11.808 6.309 -14.136 1.00 0.75 S ATOM 0 H CYS A 46 8.448 5.526 -12.001 1.00 0.28 H new ATOM 0 HA CYS A 46 11.266 4.937 -11.909 1.00 0.31 H new ATOM 0 HB2 CYS A 46 9.465 6.200 -13.573 1.00 0.36 H new ATOM 0 HB3 CYS A 46 10.229 7.601 -12.850 1.00 0.36 H new ATOM 0 HG CYS A 46 11.638 6.970 -15.243 1.00 0.75 H new ATOM 718 N ALA A 47 10.436 7.734 -10.348 1.00 0.29 N ATOM 719 CA ALA A 47 10.901 8.656 -9.264 1.00 0.31 C ATOM 720 C ALA A 47 10.658 8.030 -7.879 1.00 0.28 C ATOM 721 O ALA A 47 11.293 8.401 -6.911 1.00 0.30 O ATOM 722 CB ALA A 47 10.064 9.925 -9.432 1.00 0.37 C ATOM 0 H ALA A 47 9.563 8.006 -10.800 1.00 0.29 H new ATOM 0 HA ALA A 47 11.970 8.859 -9.333 1.00 0.31 H new ATOM 0 HB1 ALA A 47 10.348 10.652 -8.671 1.00 0.37 H new ATOM 0 HB2 ALA A 47 10.240 10.348 -10.421 1.00 0.37 H new ATOM 0 HB3 ALA A 47 9.007 9.681 -9.324 1.00 0.37 H new ATOM 728 N ARG A 48 9.753 7.080 -7.778 1.00 0.27 N ATOM 729 CA ARG A 48 9.485 6.433 -6.454 1.00 0.25 C ATOM 730 C ARG A 48 10.395 5.207 -6.262 1.00 0.24 C ATOM 731 O ARG A 48 10.535 4.695 -5.167 1.00 0.28 O ATOM 732 CB ARG A 48 8.011 6.012 -6.489 1.00 0.25 C ATOM 733 CG ARG A 48 7.116 7.250 -6.622 1.00 0.29 C ATOM 734 CD ARG A 48 7.188 8.088 -5.343 1.00 0.34 C ATOM 735 NE ARG A 48 6.227 9.206 -5.560 1.00 0.46 N ATOM 736 CZ ARG A 48 6.637 10.341 -6.060 1.00 0.63 C ATOM 737 NH1 ARG A 48 6.937 10.430 -7.329 1.00 1.06 N ATOM 738 NH2 ARG A 48 6.737 11.393 -5.291 1.00 0.96 N ATOM 0 H ARG A 48 9.192 6.728 -8.553 1.00 0.27 H new ATOM 0 HA ARG A 48 9.688 7.111 -5.625 1.00 0.25 H new ATOM 0 HB2 ARG A 48 7.837 5.336 -7.326 1.00 0.25 H new ATOM 0 HB3 ARG A 48 7.758 5.466 -5.580 1.00 0.25 H new ATOM 0 HG2 ARG A 48 7.433 7.848 -7.477 1.00 0.29 H new ATOM 0 HG3 ARG A 48 6.086 6.946 -6.810 1.00 0.29 H new ATOM 0 HD2 ARG A 48 6.915 7.497 -4.468 1.00 0.34 H new ATOM 0 HD3 ARG A 48 8.197 8.463 -5.173 1.00 0.34 H new ATOM 0 HE ARG A 48 5.244 9.084 -5.317 1.00 0.46 H new ATOM 0 HH11 ARG A 48 6.851 9.612 -7.932 1.00 1.06 H new ATOM 0 HH12 ARG A 48 7.257 11.318 -7.716 1.00 1.06 H new ATOM 0 HH21 ARG A 48 6.495 11.327 -4.302 1.00 0.96 H new ATOM 0 HH22 ARG A 48 7.057 12.280 -5.680 1.00 0.96 H new ATOM 752 N TYR A 49 11.027 4.748 -7.316 1.00 0.25 N ATOM 753 CA TYR A 49 11.948 3.577 -7.210 1.00 0.26 C ATOM 754 C TYR A 49 13.179 4.018 -6.442 1.00 0.27 C ATOM 755 O TYR A 49 13.556 3.444 -5.439 1.00 0.32 O ATOM 756 CB TYR A 49 12.358 3.253 -8.651 1.00 0.30 C ATOM 757 CG TYR A 49 11.745 1.948 -9.111 1.00 0.32 C ATOM 758 CD1 TYR A 49 11.881 0.794 -8.332 1.00 0.35 C ATOM 759 CD2 TYR A 49 11.058 1.891 -10.330 1.00 0.36 C ATOM 760 CE1 TYR A 49 11.329 -0.415 -8.769 1.00 0.40 C ATOM 761 CE2 TYR A 49 10.508 0.682 -10.769 1.00 0.40 C ATOM 762 CZ TYR A 49 10.642 -0.472 -9.988 1.00 0.41 C ATOM 763 OH TYR A 49 10.101 -1.666 -10.420 1.00 0.48 O ATOM 0 H TYR A 49 10.942 5.140 -8.254 1.00 0.25 H new ATOM 0 HA TYR A 49 11.490 2.723 -6.711 1.00 0.26 H new ATOM 0 HB2 TYR A 49 12.042 4.060 -9.312 1.00 0.30 H new ATOM 0 HB3 TYR A 49 13.444 3.192 -8.718 1.00 0.30 H new ATOM 0 HD1 TYR A 49 12.412 0.836 -7.393 1.00 0.35 H new ATOM 0 HD2 TYR A 49 10.953 2.782 -10.932 1.00 0.36 H new ATOM 0 HE1 TYR A 49 11.433 -1.305 -8.166 1.00 0.40 H new ATOM 0 HE2 TYR A 49 9.980 0.639 -11.710 1.00 0.40 H new ATOM 0 HH TYR A 49 9.658 -1.531 -11.283 1.00 0.48 H new ATOM 773 N ALA A 50 13.792 5.062 -6.929 1.00 0.27 N ATOM 774 CA ALA A 50 15.006 5.615 -6.278 1.00 0.28 C ATOM 775 C ALA A 50 14.668 6.141 -4.884 1.00 0.25 C ATOM 776 O ALA A 50 15.378 5.893 -3.929 1.00 0.28 O ATOM 777 CB ALA A 50 15.401 6.761 -7.185 1.00 0.34 C ATOM 0 H ALA A 50 13.494 5.562 -7.767 1.00 0.27 H new ATOM 0 HA ALA A 50 15.796 4.875 -6.151 1.00 0.28 H new ATOM 0 HB1 ALA A 50 16.296 7.244 -6.792 1.00 0.34 H new ATOM 0 HB2 ALA A 50 15.604 6.380 -8.186 1.00 0.34 H new ATOM 0 HB3 ALA A 50 14.588 7.486 -7.231 1.00 0.34 H new ATOM 783 N TRP A 51 13.584 6.867 -4.768 1.00 0.26 N ATOM 784 CA TRP A 51 13.180 7.415 -3.441 1.00 0.25 C ATOM 785 C TRP A 51 13.018 6.271 -2.438 1.00 0.22 C ATOM 786 O TRP A 51 13.602 6.292 -1.375 1.00 0.27 O ATOM 787 CB TRP A 51 11.848 8.130 -3.701 1.00 0.29 C ATOM 788 CG TRP A 51 10.967 8.047 -2.485 1.00 0.27 C ATOM 789 CD1 TRP A 51 11.201 8.653 -1.296 1.00 0.32 C ATOM 790 CD2 TRP A 51 9.726 7.305 -2.325 1.00 0.26 C ATOM 791 NE1 TRP A 51 10.177 8.328 -0.420 1.00 0.30 N ATOM 792 CE2 TRP A 51 9.241 7.501 -1.012 1.00 0.25 C ATOM 793 CE3 TRP A 51 8.981 6.492 -3.190 1.00 0.30 C ATOM 794 CZ2 TRP A 51 8.051 6.904 -0.578 1.00 0.26 C ATOM 795 CZ3 TRP A 51 7.792 5.893 -2.760 1.00 0.34 C ATOM 796 CH2 TRP A 51 7.327 6.098 -1.458 1.00 0.30 C ATOM 0 H TRP A 51 12.960 7.103 -5.540 1.00 0.26 H new ATOM 0 HA TRP A 51 13.918 8.096 -3.017 1.00 0.25 H new ATOM 0 HB2 TRP A 51 12.031 9.174 -3.956 1.00 0.29 H new ATOM 0 HB3 TRP A 51 11.345 7.677 -4.555 1.00 0.29 H new ATOM 0 HD1 TRP A 51 12.046 9.285 -1.068 1.00 0.32 H new ATOM 0 HE1 TRP A 51 10.121 8.659 0.543 1.00 0.30 H new ATOM 0 HE3 TRP A 51 9.328 6.326 -4.199 1.00 0.30 H new ATOM 0 HZ2 TRP A 51 7.696 7.066 0.429 1.00 0.26 H new ATOM 0 HZ3 TRP A 51 7.230 5.268 -3.438 1.00 0.34 H new ATOM 0 HH2 TRP A 51 6.408 5.633 -1.133 1.00 0.30 H new ATOM 807 N TYR A 52 12.241 5.269 -2.774 1.00 0.22 N ATOM 808 CA TYR A 52 12.059 4.121 -1.838 1.00 0.21 C ATOM 809 C TYR A 52 13.397 3.407 -1.615 1.00 0.21 C ATOM 810 O TYR A 52 13.653 2.870 -0.558 1.00 0.24 O ATOM 811 CB TYR A 52 11.067 3.175 -2.519 1.00 0.24 C ATOM 812 CG TYR A 52 10.844 1.984 -1.620 1.00 0.23 C ATOM 813 CD1 TYR A 52 9.922 2.068 -0.572 1.00 0.28 C ATOM 814 CD2 TYR A 52 11.575 0.805 -1.818 1.00 0.29 C ATOM 815 CE1 TYR A 52 9.725 0.974 0.278 1.00 0.32 C ATOM 816 CE2 TYR A 52 11.378 -0.289 -0.970 1.00 0.33 C ATOM 817 CZ TYR A 52 10.452 -0.205 0.079 1.00 0.32 C ATOM 818 OH TYR A 52 10.254 -1.286 0.915 1.00 0.40 O ATOM 0 H TYR A 52 11.728 5.199 -3.653 1.00 0.22 H new ATOM 0 HA TYR A 52 11.695 4.451 -0.865 1.00 0.21 H new ATOM 0 HB2 TYR A 52 10.124 3.688 -2.708 1.00 0.24 H new ATOM 0 HB3 TYR A 52 11.454 2.852 -3.485 1.00 0.24 H new ATOM 0 HD1 TYR A 52 9.361 2.978 -0.418 1.00 0.28 H new ATOM 0 HD2 TYR A 52 12.290 0.741 -2.625 1.00 0.29 H new ATOM 0 HE1 TYR A 52 9.012 1.040 1.087 1.00 0.32 H new ATOM 0 HE2 TYR A 52 11.939 -1.199 -1.123 1.00 0.33 H new ATOM 0 HH TYR A 52 9.353 -1.646 0.777 1.00 0.40 H new ATOM 828 N CYS A 53 14.244 3.396 -2.612 1.00 0.22 N ATOM 829 CA CYS A 53 15.567 2.718 -2.481 1.00 0.24 C ATOM 830 C CYS A 53 16.461 3.447 -1.464 1.00 0.23 C ATOM 831 O CYS A 53 17.059 2.829 -0.603 1.00 0.26 O ATOM 832 CB CYS A 53 16.161 2.783 -3.891 1.00 0.28 C ATOM 833 SG CYS A 53 17.785 1.981 -3.909 1.00 0.39 S ATOM 0 H CYS A 53 14.073 3.832 -3.518 1.00 0.22 H new ATOM 0 HA CYS A 53 15.480 1.695 -2.115 1.00 0.24 H new ATOM 0 HB2 CYS A 53 15.494 2.291 -4.600 1.00 0.28 H new ATOM 0 HB3 CYS A 53 16.254 3.821 -4.209 1.00 0.28 H new ATOM 0 HG CYS A 53 18.283 2.037 -5.108 1.00 0.39 H new ATOM 839 N GLN A 54 16.559 4.751 -1.558 1.00 0.23 N ATOM 840 CA GLN A 54 17.422 5.512 -0.598 1.00 0.25 C ATOM 841 C GLN A 54 16.727 5.682 0.767 1.00 0.24 C ATOM 842 O GLN A 54 17.381 5.693 1.800 1.00 0.29 O ATOM 843 CB GLN A 54 17.690 6.866 -1.274 1.00 0.29 C ATOM 844 CG GLN A 54 16.392 7.673 -1.405 1.00 0.30 C ATOM 845 CD GLN A 54 16.495 8.956 -0.576 1.00 0.38 C ATOM 846 OE1 GLN A 54 16.986 8.906 0.635 1.00 0.52 O flip ATOM 847 NE2 GLN A 54 16.122 10.018 -1.034 1.00 0.40 N flip ATOM 0 H GLN A 54 16.081 5.321 -2.256 1.00 0.23 H new ATOM 0 HA GLN A 54 18.352 4.985 -0.386 1.00 0.25 H new ATOM 0 HB2 GLN A 54 18.418 7.431 -0.692 1.00 0.29 H new ATOM 0 HB3 GLN A 54 18.126 6.706 -2.260 1.00 0.29 H new ATOM 0 HG2 GLN A 54 16.209 7.918 -2.451 1.00 0.30 H new ATOM 0 HG3 GLN A 54 15.546 7.076 -1.065 1.00 0.30 H new ATOM 0 HE21 GLN A 54 15.739 10.060 -1.978 1.00 0.40 H new ATOM 0 HE22 GLN A 54 16.192 10.868 -0.474 1.00 0.40 H new ATOM 856 N GLN A 55 15.418 5.808 0.796 1.00 0.23 N ATOM 857 CA GLN A 55 14.719 5.973 2.110 1.00 0.24 C ATOM 858 C GLN A 55 14.715 4.646 2.882 1.00 0.23 C ATOM 859 O GLN A 55 14.797 4.637 4.093 1.00 0.26 O ATOM 860 CB GLN A 55 13.286 6.453 1.785 1.00 0.25 C ATOM 861 CG GLN A 55 12.492 5.373 1.038 1.00 0.23 C ATOM 862 CD GLN A 55 12.001 4.272 1.996 1.00 0.24 C ATOM 863 OE1 GLN A 55 12.006 4.463 3.291 1.00 0.31 O flip ATOM 864 NE2 GLN A 55 11.607 3.214 1.551 1.00 0.27 N flip ATOM 0 H GLN A 55 14.812 5.804 -0.024 1.00 0.23 H new ATOM 0 HA GLN A 55 15.224 6.698 2.748 1.00 0.24 H new ATOM 0 HB2 GLN A 55 12.769 6.714 2.709 1.00 0.25 H new ATOM 0 HB3 GLN A 55 13.332 7.358 1.179 1.00 0.25 H new ATOM 0 HG2 GLN A 55 11.638 5.829 0.537 1.00 0.23 H new ATOM 0 HG3 GLN A 55 13.118 4.930 0.263 1.00 0.23 H new ATOM 0 HE21 GLN A 55 11.599 3.056 0.543 1.00 0.27 H new ATOM 0 HE22 GLN A 55 11.284 2.483 2.185 1.00 0.27 H new ATOM 873 N MET A 56 14.628 3.524 2.195 1.00 0.23 N ATOM 874 CA MET A 56 14.629 2.211 2.914 1.00 0.24 C ATOM 875 C MET A 56 15.988 1.991 3.580 1.00 0.25 C ATOM 876 O MET A 56 16.071 1.470 4.675 1.00 0.30 O ATOM 877 CB MET A 56 14.378 1.143 1.854 1.00 0.28 C ATOM 878 CG MET A 56 12.998 0.525 2.087 1.00 0.38 C ATOM 879 SD MET A 56 13.192 -1.090 2.878 1.00 0.61 S ATOM 880 CE MET A 56 12.498 -0.637 4.486 1.00 0.89 C ATOM 0 H MET A 56 14.557 3.465 1.179 1.00 0.23 H new ATOM 0 HA MET A 56 13.867 2.176 3.693 1.00 0.24 H new ATOM 0 HB2 MET A 56 14.431 1.582 0.858 1.00 0.28 H new ATOM 0 HB3 MET A 56 15.149 0.374 1.905 1.00 0.28 H new ATOM 0 HG2 MET A 56 12.395 1.180 2.715 1.00 0.38 H new ATOM 0 HG3 MET A 56 12.470 0.418 1.139 1.00 0.38 H new ATOM 0 HE1 MET A 56 12.871 -1.320 5.249 1.00 0.89 H new ATOM 0 HE2 MET A 56 12.793 0.382 4.736 1.00 0.89 H new ATOM 0 HE3 MET A 56 11.411 -0.700 4.444 1.00 0.89 H new ATOM 890 N MET A 57 17.054 2.402 2.928 1.00 0.27 N ATOM 891 CA MET A 57 18.418 2.241 3.525 1.00 0.32 C ATOM 892 C MET A 57 18.478 2.966 4.876 1.00 0.33 C ATOM 893 O MET A 57 19.085 2.491 5.818 1.00 0.39 O ATOM 894 CB MET A 57 19.378 2.891 2.523 1.00 0.37 C ATOM 895 CG MET A 57 19.549 1.979 1.303 1.00 0.39 C ATOM 896 SD MET A 57 21.107 1.069 1.444 1.00 0.79 S ATOM 897 CE MET A 57 21.298 0.667 -0.308 1.00 1.90 C ATOM 0 H MET A 57 17.036 2.842 2.008 1.00 0.27 H new ATOM 0 HA MET A 57 18.673 1.196 3.704 1.00 0.32 H new ATOM 0 HB2 MET A 57 18.992 3.862 2.212 1.00 0.37 H new ATOM 0 HB3 MET A 57 20.345 3.069 2.994 1.00 0.37 H new ATOM 0 HG2 MET A 57 18.713 1.282 1.236 1.00 0.39 H new ATOM 0 HG3 MET A 57 19.543 2.572 0.389 1.00 0.39 H new ATOM 0 HE1 MET A 57 22.214 0.095 -0.452 1.00 1.90 H new ATOM 0 HE2 MET A 57 20.445 0.076 -0.641 1.00 1.90 H new ATOM 0 HE3 MET A 57 21.350 1.588 -0.889 1.00 1.90 H new ATOM 907 N GLN A 58 17.841 4.110 4.973 1.00 0.31 N ATOM 908 CA GLN A 58 17.842 4.873 6.262 1.00 0.36 C ATOM 909 C GLN A 58 16.666 4.440 7.160 1.00 0.35 C ATOM 910 O GLN A 58 16.637 4.746 8.338 1.00 0.43 O ATOM 911 CB GLN A 58 17.691 6.340 5.848 1.00 0.43 C ATOM 912 CG GLN A 58 19.055 7.031 5.909 1.00 0.74 C ATOM 913 CD GLN A 58 19.391 7.620 4.538 1.00 1.66 C ATOM 914 OE1 GLN A 58 19.012 8.735 4.234 1.00 2.20 O ATOM 915 NE2 GLN A 58 20.092 6.915 3.690 1.00 2.25 N ATOM 0 H GLN A 58 17.320 4.548 4.214 1.00 0.31 H new ATOM 0 HA GLN A 58 18.750 4.697 6.839 1.00 0.36 H new ATOM 0 HB2 GLN A 58 17.284 6.404 4.839 1.00 0.43 H new ATOM 0 HB3 GLN A 58 16.986 6.845 6.509 1.00 0.43 H new ATOM 0 HG2 GLN A 58 19.042 7.819 6.662 1.00 0.74 H new ATOM 0 HG3 GLN A 58 19.823 6.317 6.208 1.00 0.74 H new ATOM 0 HE21 GLN A 58 20.410 5.980 3.945 1.00 2.25 H new ATOM 0 HE22 GLN A 58 20.321 7.300 2.774 1.00 2.25 H new ATOM 924 N ALA A 59 15.698 3.736 6.617 1.00 0.32 N ATOM 925 CA ALA A 59 14.526 3.287 7.436 1.00 0.35 C ATOM 926 C ALA A 59 14.784 1.898 8.038 1.00 0.36 C ATOM 927 O ALA A 59 14.437 1.633 9.174 1.00 0.46 O ATOM 928 CB ALA A 59 13.357 3.225 6.450 1.00 0.37 C ATOM 0 H ALA A 59 15.670 3.453 5.638 1.00 0.32 H new ATOM 0 HA ALA A 59 14.331 3.961 8.270 1.00 0.35 H new ATOM 0 HB1 ALA A 59 12.457 2.903 6.973 1.00 0.37 H new ATOM 0 HB2 ALA A 59 13.192 4.212 6.018 1.00 0.37 H new ATOM 0 HB3 ALA A 59 13.588 2.516 5.655 1.00 0.37 H new ATOM 934 N ARG A 60 15.380 1.010 7.276 1.00 0.36 N ATOM 935 CA ARG A 60 15.656 -0.371 7.782 1.00 0.41 C ATOM 936 C ARG A 60 16.662 -0.336 8.944 1.00 0.42 C ATOM 937 O ARG A 60 16.301 -0.581 10.078 1.00 0.49 O ATOM 938 CB ARG A 60 16.235 -1.121 6.573 1.00 0.50 C ATOM 939 CG ARG A 60 16.806 -2.473 7.015 1.00 0.59 C ATOM 940 CD ARG A 60 16.677 -3.487 5.873 1.00 0.68 C ATOM 941 NE ARG A 60 15.519 -4.349 6.245 1.00 0.84 N ATOM 942 CZ ARG A 60 14.670 -4.734 5.329 1.00 1.20 C ATOM 943 NH1 ARG A 60 14.927 -5.794 4.604 1.00 1.76 N ATOM 944 NH2 ARG A 60 13.567 -4.059 5.137 1.00 1.66 N ATOM 0 H ARG A 60 15.688 1.185 6.320 1.00 0.36 H new ATOM 0 HA ARG A 60 14.761 -0.855 8.173 1.00 0.41 H new ATOM 0 HB2 ARG A 60 15.458 -1.273 5.824 1.00 0.50 H new ATOM 0 HB3 ARG A 60 17.017 -0.523 6.105 1.00 0.50 H new ATOM 0 HG2 ARG A 60 17.853 -2.361 7.298 1.00 0.59 H new ATOM 0 HG3 ARG A 60 16.274 -2.833 7.896 1.00 0.59 H new ATOM 0 HD2 ARG A 60 16.506 -2.987 4.920 1.00 0.68 H new ATOM 0 HD3 ARG A 60 17.588 -4.076 5.765 1.00 0.68 H new ATOM 0 HE ARG A 60 15.389 -4.638 7.214 1.00 0.84 H new ATOM 0 HH11 ARG A 60 15.789 -6.318 4.755 1.00 1.76 H new ATOM 0 HH12 ARG A 60 14.265 -6.095 3.889 1.00 1.76 H new ATOM 0 HH21 ARG A 60 13.370 -3.233 5.702 1.00 1.66 H new ATOM 0 HH22 ARG A 60 12.904 -4.358 4.422 1.00 1.66 H new ATOM 958 N GLU A 61 17.916 -0.039 8.662 1.00 0.50 N ATOM 959 CA GLU A 61 18.970 0.009 9.735 1.00 0.61 C ATOM 960 C GLU A 61 19.088 -1.360 10.433 1.00 0.61 C ATOM 961 O GLU A 61 19.914 -2.173 10.067 1.00 0.71 O ATOM 962 CB GLU A 61 18.527 1.103 10.718 1.00 0.68 C ATOM 963 CG GLU A 61 18.550 2.466 10.021 1.00 0.79 C ATOM 964 CD GLU A 61 17.899 3.512 10.929 1.00 0.91 C ATOM 965 OE1 GLU A 61 16.682 3.506 11.031 1.00 1.01 O ATOM 966 OE2 GLU A 61 18.627 4.302 11.507 1.00 1.22 O ATOM 0 H GLU A 61 18.256 0.174 7.724 1.00 0.50 H new ATOM 0 HA GLU A 61 19.955 0.233 9.325 1.00 0.61 H new ATOM 0 HB2 GLU A 61 17.524 0.889 11.086 1.00 0.68 H new ATOM 0 HB3 GLU A 61 19.188 1.116 11.584 1.00 0.68 H new ATOM 0 HG2 GLU A 61 19.577 2.754 9.794 1.00 0.79 H new ATOM 0 HG3 GLU A 61 18.017 2.410 9.072 1.00 0.79 H new ATOM 973 N LEU A 62 18.260 -1.625 11.418 1.00 0.58 N ATOM 974 CA LEU A 62 18.315 -2.947 12.121 1.00 0.65 C ATOM 975 C LEU A 62 16.904 -3.545 12.274 1.00 0.65 C ATOM 976 O LEU A 62 16.662 -4.372 13.136 1.00 0.77 O ATOM 977 CB LEU A 62 18.977 -2.694 13.498 1.00 0.75 C ATOM 978 CG LEU A 62 18.346 -1.508 14.263 1.00 0.78 C ATOM 979 CD1 LEU A 62 18.895 -0.182 13.729 1.00 0.78 C ATOM 980 CD2 LEU A 62 16.819 -1.523 14.132 1.00 0.76 C ATOM 0 H LEU A 62 17.548 -0.982 11.765 1.00 0.58 H new ATOM 0 HA LEU A 62 18.894 -3.672 11.549 1.00 0.65 H new ATOM 0 HB2 LEU A 62 18.895 -3.595 14.105 1.00 0.75 H new ATOM 0 HB3 LEU A 62 20.040 -2.502 13.354 1.00 0.75 H new ATOM 0 HG LEU A 62 18.606 -1.609 15.317 1.00 0.78 H new ATOM 0 HD11 LEU A 62 18.443 0.646 14.276 1.00 0.78 H new ATOM 0 HD12 LEU A 62 19.977 -0.156 13.861 1.00 0.78 H new ATOM 0 HD13 LEU A 62 18.657 -0.090 12.669 1.00 0.78 H new ATOM 0 HD21 LEU A 62 16.399 -0.679 14.679 1.00 0.76 H new ATOM 0 HD22 LEU A 62 16.543 -1.448 13.080 1.00 0.76 H new ATOM 0 HD23 LEU A 62 16.428 -2.453 14.544 1.00 0.76 H new ATOM 992 N GLU A 63 15.975 -3.137 11.440 1.00 0.59 N ATOM 993 CA GLU A 63 14.583 -3.675 11.528 1.00 0.65 C ATOM 994 C GLU A 63 14.005 -3.881 10.122 1.00 0.59 C ATOM 995 O GLU A 63 14.325 -3.155 9.198 1.00 0.61 O ATOM 996 CB GLU A 63 13.790 -2.604 12.286 1.00 0.72 C ATOM 997 CG GLU A 63 13.264 -3.187 13.600 1.00 0.94 C ATOM 998 CD GLU A 63 12.010 -4.022 13.326 1.00 1.13 C ATOM 999 OE1 GLU A 63 10.937 -3.442 13.271 1.00 1.39 O ATOM 1000 OE2 GLU A 63 12.144 -5.224 13.174 1.00 1.26 O ATOM 0 H GLU A 63 16.124 -2.451 10.700 1.00 0.59 H new ATOM 0 HA GLU A 63 14.544 -4.641 12.031 1.00 0.65 H new ATOM 0 HB2 GLU A 63 14.425 -1.742 12.488 1.00 0.72 H new ATOM 0 HB3 GLU A 63 12.959 -2.252 11.675 1.00 0.72 H new ATOM 0 HG2 GLU A 63 14.030 -3.806 14.068 1.00 0.94 H new ATOM 0 HG3 GLU A 63 13.033 -2.383 14.299 1.00 0.94 H new ATOM 1007 N LEU A 64 13.155 -4.865 9.958 1.00 0.70 N ATOM 1008 CA LEU A 64 12.552 -5.124 8.614 1.00 0.68 C ATOM 1009 C LEU A 64 11.175 -4.458 8.510 1.00 0.64 C ATOM 1010 O LEU A 64 10.393 -4.478 9.442 1.00 0.81 O ATOM 1011 CB LEU A 64 12.421 -6.648 8.524 1.00 0.90 C ATOM 1012 CG LEU A 64 12.098 -7.058 7.082 1.00 0.97 C ATOM 1013 CD1 LEU A 64 12.737 -8.415 6.780 1.00 1.24 C ATOM 1014 CD2 LEU A 64 10.578 -7.162 6.905 1.00 1.03 C ATOM 0 H LEU A 64 12.853 -5.500 10.697 1.00 0.70 H new ATOM 0 HA LEU A 64 13.160 -4.719 7.805 1.00 0.68 H new ATOM 0 HB2 LEU A 64 13.348 -7.121 8.847 1.00 0.90 H new ATOM 0 HB3 LEU A 64 11.635 -6.995 9.195 1.00 0.90 H new ATOM 0 HG LEU A 64 12.494 -6.308 6.397 1.00 0.97 H new ATOM 0 HD11 LEU A 64 12.507 -8.705 5.755 1.00 1.24 H new ATOM 0 HD12 LEU A 64 13.818 -8.344 6.903 1.00 1.24 H new ATOM 0 HD13 LEU A 64 12.342 -9.164 7.467 1.00 1.24 H new ATOM 0 HD21 LEU A 64 10.350 -7.453 5.880 1.00 1.03 H new ATOM 0 HD22 LEU A 64 10.182 -7.910 7.591 1.00 1.03 H new ATOM 0 HD23 LEU A 64 10.120 -6.196 7.118 1.00 1.03 H new ATOM 1026 N GLU A 65 10.875 -3.873 7.376 1.00 0.56 N ATOM 1027 CA GLU A 65 9.550 -3.206 7.189 1.00 0.64 C ATOM 1028 C GLU A 65 8.865 -3.744 5.927 1.00 0.60 C ATOM 1029 O GLU A 65 7.762 -4.256 5.983 1.00 0.77 O ATOM 1030 CB GLU A 65 9.866 -1.716 7.036 1.00 0.74 C ATOM 1031 CG GLU A 65 9.938 -1.058 8.418 1.00 0.84 C ATOM 1032 CD GLU A 65 11.402 -0.818 8.798 1.00 0.85 C ATOM 1033 OE1 GLU A 65 12.009 0.068 8.216 1.00 1.04 O ATOM 1034 OE2 GLU A 65 11.891 -1.525 9.663 1.00 1.11 O ATOM 0 H GLU A 65 11.495 -3.829 6.568 1.00 0.56 H new ATOM 0 HA GLU A 65 8.874 -3.391 8.024 1.00 0.64 H new ATOM 0 HB2 GLU A 65 10.813 -1.587 6.512 1.00 0.74 H new ATOM 0 HB3 GLU A 65 9.099 -1.232 6.432 1.00 0.74 H new ATOM 0 HG2 GLU A 65 9.394 -0.113 8.411 1.00 0.84 H new ATOM 0 HG3 GLU A 65 9.459 -1.696 9.161 1.00 0.84 H new ATOM 1041 N HIS A 66 9.511 -3.632 4.790 1.00 0.51 N ATOM 1042 CA HIS A 66 8.904 -4.135 3.520 1.00 0.51 C ATOM 1043 C HIS A 66 9.996 -4.679 2.588 1.00 0.56 C ATOM 1044 O HIS A 66 9.852 -5.801 2.133 1.00 0.71 O ATOM 1045 CB HIS A 66 8.212 -2.915 2.899 1.00 0.53 C ATOM 1046 CG HIS A 66 7.522 -3.313 1.621 1.00 0.54 C ATOM 1047 ND1 HIS A 66 7.497 -2.489 0.507 1.00 0.64 N ATOM 1048 CD2 HIS A 66 6.829 -4.444 1.264 1.00 0.70 C ATOM 1049 CE1 HIS A 66 6.811 -3.130 -0.458 1.00 0.71 C ATOM 1050 NE2 HIS A 66 6.382 -4.326 -0.049 1.00 0.75 N ATOM 1051 OXT HIS A 66 10.957 -3.964 2.344 1.00 0.67 O ATOM 0 H HIS A 66 10.435 -3.212 4.689 1.00 0.51 H new ATOM 0 HA HIS A 66 8.204 -4.952 3.691 1.00 0.51 H new ATOM 0 HB2 HIS A 66 7.487 -2.501 3.600 1.00 0.53 H new ATOM 0 HB3 HIS A 66 8.945 -2.133 2.699 1.00 0.53 H new ATOM 0 HD2 HIS A 66 6.657 -5.296 1.905 1.00 0.70 H new ATOM 0 HE1 HIS A 66 6.630 -2.726 -1.443 1.00 0.71 H new ATOM 0 HE2 HIS A 66 5.843 -5.007 -0.584 1.00 0.75 H new TER 1059 HIS A 66