USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=12 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 17 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 MET CE :methyl 155:sc= 0 (180deg=0) USER MOD Set 2.2: A 7 SER OG : rot -21:sc= 0.0355 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.4 K(o=-0.4,f=-3.1) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.292 K(o=-0.29,f=-0.87) USER MOD Single : A 9 ASN : amide:sc= 0.155 X(o=0.15,f=0) USER MOD Single : A 10 ASN : amide:sc= -3.15! C(o=-3.1!,f=-4.2!) USER MOD Single : A 22 HIS : no HD1:sc= -0.624 K(o=-0.62,f=-0.0024) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -109:sc= 0 (180deg=-0.207) USER MOD Single : A 41 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-12!) 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 52 TYR OH : rot -103:sc= 0.632 USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.62 K(o=-2.6,f=-3.4) USER MOD Single : A 55 GLN : amide:sc= -8.19! C(o=-8.2!,f=-17!) USER MOD Single : A 56 MET CE :methyl -141:sc= -2.37 (180deg=-4.72!) 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 Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.724 -9.458 -4.118 1.00 1.48 N ATOM 2 CA MET A 1 1.352 -8.868 -4.074 1.00 1.24 C ATOM 3 C MET A 1 0.308 -9.978 -3.925 1.00 1.09 C ATOM 4 O MET A 1 0.073 -10.750 -4.836 1.00 1.34 O ATOM 5 CB MET A 1 1.186 -8.143 -5.412 1.00 1.41 C ATOM 6 CG MET A 1 0.167 -7.011 -5.262 1.00 1.39 C ATOM 7 SD MET A 1 -0.897 -6.966 -6.726 1.00 1.49 S ATOM 8 CE MET A 1 -2.386 -6.341 -5.911 1.00 1.39 C ATOM 0 H1 MET A 1 3.426 -8.697 -4.219 1.00 1.48 H new ATOM 0 H2 MET A 1 2.905 -9.981 -3.238 1.00 1.48 H new ATOM 0 H3 MET A 1 2.797 -10.107 -4.928 1.00 1.48 H new ATOM 0 HA MET A 1 1.218 -8.191 -3.230 1.00 1.24 H new ATOM 0 HB2 MET A 1 2.145 -7.741 -5.740 1.00 1.41 H new ATOM 0 HB3 MET A 1 0.855 -8.844 -6.178 1.00 1.41 H new ATOM 0 HG2 MET A 1 -0.434 -7.164 -4.366 1.00 1.39 H new ATOM 0 HG3 MET A 1 0.681 -6.057 -5.142 1.00 1.39 H new ATOM 0 HE1 MET A 1 -3.011 -5.826 -6.640 1.00 1.39 H new ATOM 0 HE2 MET A 1 -2.942 -7.174 -5.480 1.00 1.39 H new ATOM 0 HE3 MET A 1 -2.103 -5.646 -5.120 1.00 1.39 H new ATOM 17 N ASP A 2 -0.316 -10.062 -2.778 1.00 0.86 N ATOM 18 CA ASP A 2 -1.346 -11.121 -2.549 1.00 0.81 C ATOM 19 C ASP A 2 -2.486 -10.577 -1.677 1.00 0.71 C ATOM 20 O ASP A 2 -2.982 -11.250 -0.791 1.00 0.81 O ATOM 21 CB ASP A 2 -0.605 -12.265 -1.838 1.00 0.82 C ATOM 22 CG ASP A 2 0.261 -11.715 -0.697 1.00 0.83 C ATOM 23 OD1 ASP A 2 -0.282 -11.455 0.365 1.00 0.93 O ATOM 24 OD2 ASP A 2 1.454 -11.569 -0.905 1.00 1.03 O ATOM 0 H ASP A 2 -0.156 -9.440 -1.986 1.00 0.86 H new ATOM 0 HA ASP A 2 -1.801 -11.459 -3.480 1.00 0.81 H new ATOM 0 HB2 ASP A 2 -1.324 -12.983 -1.443 1.00 0.82 H new ATOM 0 HB3 ASP A 2 0.021 -12.801 -2.552 1.00 0.82 H new ATOM 29 N HIS A 3 -2.911 -9.364 -1.928 1.00 0.65 N ATOM 30 CA HIS A 3 -4.024 -8.772 -1.124 1.00 0.61 C ATOM 31 C HIS A 3 -4.888 -7.868 -2.008 1.00 0.59 C ATOM 32 O HIS A 3 -4.386 -7.043 -2.749 1.00 0.63 O ATOM 33 CB HIS A 3 -3.361 -7.970 0.012 1.00 0.62 C ATOM 34 CG HIS A 3 -2.179 -7.181 -0.499 1.00 0.61 C ATOM 35 ND1 HIS A 3 -2.321 -5.950 -1.120 1.00 0.62 N ATOM 36 CD2 HIS A 3 -0.830 -7.437 -0.486 1.00 0.76 C ATOM 37 CE1 HIS A 3 -1.092 -5.518 -1.454 1.00 0.71 C ATOM 38 NE2 HIS A 3 -0.145 -6.387 -1.089 1.00 0.82 N ATOM 0 H HIS A 3 -2.535 -8.757 -2.656 1.00 0.65 H new ATOM 0 HA HIS A 3 -4.681 -9.541 -0.718 1.00 0.61 H new ATOM 0 HB2 HIS A 3 -4.090 -7.292 0.457 1.00 0.62 H new ATOM 0 HB3 HIS A 3 -3.036 -8.650 0.800 1.00 0.62 H new ATOM 0 HD2 HIS A 3 -0.370 -8.321 -0.070 1.00 0.76 H new ATOM 0 HE1 HIS A 3 -0.895 -4.582 -1.956 1.00 0.71 H new ATOM 0 HE2 HIS A 3 0.862 -6.299 -1.223 1.00 0.82 H new ATOM 46 N SER A 4 -6.186 -8.027 -1.938 1.00 0.61 N ATOM 47 CA SER A 4 -7.097 -7.187 -2.777 1.00 0.63 C ATOM 48 C SER A 4 -7.660 -6.021 -1.957 1.00 0.57 C ATOM 49 O SER A 4 -7.648 -4.887 -2.396 1.00 0.60 O ATOM 50 CB SER A 4 -8.221 -8.127 -3.220 1.00 0.75 C ATOM 51 OG SER A 4 -8.187 -8.259 -4.634 1.00 1.38 O ATOM 0 H SER A 4 -6.655 -8.703 -1.335 1.00 0.61 H new ATOM 0 HA SER A 4 -6.576 -6.749 -3.629 1.00 0.63 H new ATOM 0 HB2 SER A 4 -8.103 -9.103 -2.748 1.00 0.75 H new ATOM 0 HB3 SER A 4 -9.187 -7.734 -2.902 1.00 0.75 H new ATOM 0 HG SER A 4 -8.904 -8.861 -4.924 1.00 1.38 H new ATOM 57 N LEU A 5 -8.153 -6.293 -0.773 1.00 0.57 N ATOM 58 CA LEU A 5 -8.720 -5.200 0.080 1.00 0.59 C ATOM 59 C LEU A 5 -7.615 -4.237 0.524 1.00 0.53 C ATOM 60 O LEU A 5 -7.801 -3.034 0.542 1.00 0.58 O ATOM 61 CB LEU A 5 -9.324 -5.913 1.294 1.00 0.69 C ATOM 62 CG LEU A 5 -10.846 -6.008 1.143 1.00 0.85 C ATOM 63 CD1 LEU A 5 -11.449 -4.601 1.097 1.00 0.94 C ATOM 64 CD2 LEU A 5 -11.190 -6.755 -0.149 1.00 0.91 C ATOM 0 H LEU A 5 -8.188 -7.225 -0.360 1.00 0.57 H new ATOM 0 HA LEU A 5 -9.460 -4.607 -0.457 1.00 0.59 H new ATOM 0 HB2 LEU A 5 -8.897 -6.911 1.389 1.00 0.69 H new ATOM 0 HB3 LEU A 5 -9.074 -5.371 2.206 1.00 0.69 H new ATOM 0 HG LEU A 5 -11.258 -6.550 1.995 1.00 0.85 H new ATOM 0 HD11 LEU A 5 -12.531 -4.672 0.990 1.00 0.94 H new ATOM 0 HD12 LEU A 5 -11.210 -4.072 2.020 1.00 0.94 H new ATOM 0 HD13 LEU A 5 -11.035 -4.055 0.249 1.00 0.94 H new ATOM 0 HD21 LEU A 5 -12.273 -6.821 -0.254 1.00 0.91 H new ATOM 0 HD22 LEU A 5 -10.775 -6.217 -1.002 1.00 0.91 H new ATOM 0 HD23 LEU A 5 -10.767 -7.759 -0.112 1.00 0.91 H new ATOM 76 N ASN A 6 -6.467 -4.761 0.880 1.00 0.50 N ATOM 77 CA ASN A 6 -5.342 -3.883 1.324 1.00 0.51 C ATOM 78 C ASN A 6 -4.849 -3.017 0.159 1.00 0.49 C ATOM 79 O ASN A 6 -4.514 -1.863 0.338 1.00 0.58 O ATOM 80 CB ASN A 6 -4.239 -4.840 1.783 1.00 0.56 C ATOM 81 CG ASN A 6 -3.439 -4.194 2.917 1.00 0.64 C ATOM 82 OD1 ASN A 6 -4.002 -3.566 3.789 1.00 1.32 O ATOM 83 ND2 ASN A 6 -2.142 -4.328 2.944 1.00 1.31 N ATOM 0 H ASN A 6 -6.262 -5.760 0.882 1.00 0.50 H new ATOM 0 HA ASN A 6 -5.646 -3.203 2.119 1.00 0.51 H new ATOM 0 HB2 ASN A 6 -4.676 -5.779 2.122 1.00 0.56 H new ATOM 0 HB3 ASN A 6 -3.579 -5.078 0.949 1.00 0.56 H new ATOM 0 HD21 ASN A 6 -1.601 -3.905 3.698 1.00 1.31 H new ATOM 0 HD22 ASN A 6 -1.668 -4.856 2.211 1.00 1.31 H new ATOM 90 N SER A 7 -4.812 -3.563 -1.034 1.00 0.46 N ATOM 91 CA SER A 7 -4.350 -2.770 -2.215 1.00 0.50 C ATOM 92 C SER A 7 -5.379 -1.685 -2.566 1.00 0.50 C ATOM 93 O SER A 7 -5.023 -0.604 -2.992 1.00 0.57 O ATOM 94 CB SER A 7 -4.228 -3.782 -3.358 1.00 0.57 C ATOM 95 OG SER A 7 -3.068 -3.488 -4.124 1.00 0.82 O ATOM 0 H SER A 7 -5.082 -4.525 -1.239 1.00 0.46 H new ATOM 0 HA SER A 7 -3.406 -2.261 -2.020 1.00 0.50 H new ATOM 0 HB2 SER A 7 -4.167 -4.794 -2.958 1.00 0.57 H new ATOM 0 HB3 SER A 7 -5.115 -3.742 -3.990 1.00 0.57 H new ATOM 0 HG SER A 7 -2.807 -2.555 -3.977 1.00 0.82 H new ATOM 101 N LEU A 8 -6.650 -1.970 -2.389 1.00 0.50 N ATOM 102 CA LEU A 8 -7.709 -0.959 -2.711 1.00 0.53 C ATOM 103 C LEU A 8 -7.611 0.238 -1.759 1.00 0.47 C ATOM 104 O LEU A 8 -7.545 1.375 -2.188 1.00 0.51 O ATOM 105 CB LEU A 8 -9.041 -1.692 -2.513 1.00 0.63 C ATOM 106 CG LEU A 8 -10.103 -1.083 -3.431 1.00 1.04 C ATOM 107 CD1 LEU A 8 -10.674 -2.176 -4.341 1.00 1.50 C ATOM 108 CD2 LEU A 8 -11.224 -0.472 -2.579 1.00 1.42 C ATOM 0 H LEU A 8 -6.999 -2.861 -2.035 1.00 0.50 H new ATOM 0 HA LEU A 8 -7.606 -0.569 -3.724 1.00 0.53 H new ATOM 0 HB2 LEU A 8 -8.920 -2.753 -2.733 1.00 0.63 H new ATOM 0 HB3 LEU A 8 -9.358 -1.617 -1.473 1.00 0.63 H new ATOM 0 HG LEU A 8 -9.655 -0.302 -4.046 1.00 1.04 H new ATOM 0 HD11 LEU A 8 -11.431 -1.745 -4.996 1.00 1.50 H new ATOM 0 HD12 LEU A 8 -9.873 -2.603 -4.944 1.00 1.50 H new ATOM 0 HD13 LEU A 8 -11.125 -2.958 -3.731 1.00 1.50 H new ATOM 0 HD21 LEU A 8 -11.981 -0.038 -3.232 1.00 1.42 H new ATOM 0 HD22 LEU A 8 -11.678 -1.249 -1.963 1.00 1.42 H new ATOM 0 HD23 LEU A 8 -10.810 0.305 -1.936 1.00 1.42 H new ATOM 120 N ASN A 9 -7.595 -0.011 -0.471 1.00 0.46 N ATOM 121 CA ASN A 9 -7.496 1.110 0.516 1.00 0.47 C ATOM 122 C ASN A 9 -6.148 1.825 0.371 1.00 0.41 C ATOM 123 O ASN A 9 -6.069 3.037 0.446 1.00 0.45 O ATOM 124 CB ASN A 9 -7.607 0.448 1.894 1.00 0.56 C ATOM 125 CG ASN A 9 -9.082 0.236 2.243 1.00 0.72 C ATOM 126 OD1 ASN A 9 -9.764 1.161 2.637 1.00 0.96 O ATOM 127 ND2 ASN A 9 -9.608 -0.953 2.115 1.00 0.88 N ATOM 0 H ASN A 9 -7.646 -0.943 -0.061 1.00 0.46 H new ATOM 0 HA ASN A 9 -8.273 1.859 0.364 1.00 0.47 H new ATOM 0 HB2 ASN A 9 -7.082 -0.507 1.893 1.00 0.56 H new ATOM 0 HB3 ASN A 9 -7.130 1.073 2.649 1.00 0.56 H new ATOM 0 HD21 ASN A 9 -10.590 -1.104 2.346 1.00 0.88 H new ATOM 0 HD22 ASN A 9 -9.037 -1.731 1.784 1.00 0.88 H new ATOM 134 N ASN A 10 -5.091 1.080 0.156 1.00 0.37 N ATOM 135 CA ASN A 10 -3.741 1.704 -0.005 1.00 0.37 C ATOM 136 C ASN A 10 -3.711 2.592 -1.257 1.00 0.36 C ATOM 137 O ASN A 10 -3.139 3.660 -1.253 1.00 0.48 O ATOM 138 CB ASN A 10 -2.774 0.522 -0.155 1.00 0.43 C ATOM 139 CG ASN A 10 -1.359 1.034 -0.449 1.00 0.48 C ATOM 140 OD1 ASN A 10 -0.554 1.179 0.449 1.00 0.67 O ATOM 141 ND2 ASN A 10 -1.019 1.308 -1.679 1.00 0.65 N ATOM 0 H ASN A 10 -5.106 0.063 0.085 1.00 0.37 H new ATOM 0 HA ASN A 10 -3.476 2.342 0.839 1.00 0.37 H new ATOM 0 HB2 ASN A 10 -2.771 -0.074 0.758 1.00 0.43 H new ATOM 0 HB3 ASN A 10 -3.108 -0.131 -0.961 1.00 0.43 H new ATOM 0 HD21 ASN A 10 -0.078 1.643 -1.885 1.00 0.65 H new ATOM 0 HD22 ASN A 10 -1.694 1.187 -2.434 1.00 0.65 H new ATOM 148 N PHE A 11 -4.315 2.157 -2.331 1.00 0.35 N ATOM 149 CA PHE A 11 -4.301 2.982 -3.577 1.00 0.37 C ATOM 150 C PHE A 11 -4.912 4.369 -3.334 1.00 0.36 C ATOM 151 O PHE A 11 -4.386 5.365 -3.788 1.00 0.39 O ATOM 152 CB PHE A 11 -5.136 2.200 -4.595 1.00 0.42 C ATOM 153 CG PHE A 11 -4.284 1.904 -5.804 1.00 0.40 C ATOM 154 CD1 PHE A 11 -3.823 2.955 -6.605 1.00 0.46 C ATOM 155 CD2 PHE A 11 -3.946 0.583 -6.118 1.00 0.57 C ATOM 156 CE1 PHE A 11 -3.027 2.685 -7.722 1.00 0.63 C ATOM 157 CE2 PHE A 11 -3.151 0.313 -7.237 1.00 0.70 C ATOM 158 CZ PHE A 11 -2.691 1.364 -8.038 1.00 0.71 C ATOM 0 H PHE A 11 -4.815 1.271 -2.401 1.00 0.35 H new ATOM 0 HA PHE A 11 -3.283 3.152 -3.927 1.00 0.37 H new ATOM 0 HB2 PHE A 11 -5.497 1.272 -4.152 1.00 0.42 H new ATOM 0 HB3 PHE A 11 -6.014 2.777 -4.885 1.00 0.42 H new ATOM 0 HD1 PHE A 11 -4.082 3.974 -6.360 1.00 0.46 H new ATOM 0 HD2 PHE A 11 -4.298 -0.227 -5.497 1.00 0.57 H new ATOM 0 HE1 PHE A 11 -2.672 3.496 -8.341 1.00 0.63 H new ATOM 0 HE2 PHE A 11 -2.892 -0.706 -7.483 1.00 0.70 H new ATOM 0 HZ PHE A 11 -2.076 1.155 -8.901 1.00 0.71 H new ATOM 168 N ASP A 12 -6.017 4.443 -2.635 1.00 0.36 N ATOM 169 CA ASP A 12 -6.661 5.771 -2.384 1.00 0.38 C ATOM 170 C ASP A 12 -6.010 6.499 -1.197 1.00 0.33 C ATOM 171 O ASP A 12 -5.427 7.555 -1.356 1.00 0.34 O ATOM 172 CB ASP A 12 -8.128 5.454 -2.077 1.00 0.43 C ATOM 173 CG ASP A 12 -8.983 5.745 -3.312 1.00 0.79 C ATOM 174 OD1 ASP A 12 -9.147 4.845 -4.119 1.00 1.15 O ATOM 175 OD2 ASP A 12 -9.458 6.863 -3.428 1.00 1.29 O ATOM 0 H ASP A 12 -6.501 3.643 -2.227 1.00 0.36 H new ATOM 0 HA ASP A 12 -6.550 6.433 -3.243 1.00 0.38 H new ATOM 0 HB2 ASP A 12 -8.232 4.408 -1.788 1.00 0.43 H new ATOM 0 HB3 ASP A 12 -8.472 6.054 -1.234 1.00 0.43 H new ATOM 180 N PHE A 13 -6.126 5.954 -0.010 1.00 0.33 N ATOM 181 CA PHE A 13 -5.539 6.623 1.197 1.00 0.31 C ATOM 182 C PHE A 13 -4.021 6.816 1.045 1.00 0.27 C ATOM 183 O PHE A 13 -3.503 7.893 1.295 1.00 0.29 O ATOM 184 CB PHE A 13 -5.899 5.694 2.378 1.00 0.34 C ATOM 185 CG PHE A 13 -4.675 5.305 3.190 1.00 0.32 C ATOM 186 CD1 PHE A 13 -3.954 6.279 3.897 1.00 0.36 C ATOM 187 CD2 PHE A 13 -4.273 3.964 3.247 1.00 0.34 C ATOM 188 CE1 PHE A 13 -2.836 5.912 4.654 1.00 0.38 C ATOM 189 CE2 PHE A 13 -3.159 3.599 4.008 1.00 0.36 C ATOM 190 CZ PHE A 13 -2.440 4.572 4.711 1.00 0.37 C ATOM 0 H PHE A 13 -6.603 5.072 0.177 1.00 0.33 H new ATOM 0 HA PHE A 13 -5.934 7.627 1.349 1.00 0.31 H new ATOM 0 HB2 PHE A 13 -6.620 6.193 3.025 1.00 0.34 H new ATOM 0 HB3 PHE A 13 -6.382 4.794 1.997 1.00 0.34 H new ATOM 0 HD1 PHE A 13 -4.262 7.313 3.857 1.00 0.36 H new ATOM 0 HD2 PHE A 13 -4.824 3.212 2.702 1.00 0.34 H new ATOM 0 HE1 PHE A 13 -2.279 6.663 5.194 1.00 0.38 H new ATOM 0 HE2 PHE A 13 -2.853 2.564 4.054 1.00 0.36 H new ATOM 0 HZ PHE A 13 -1.579 4.288 5.298 1.00 0.37 H new ATOM 200 N LEU A 14 -3.301 5.795 0.653 1.00 0.24 N ATOM 201 CA LEU A 14 -1.824 5.956 0.516 1.00 0.22 C ATOM 202 C LEU A 14 -1.472 6.827 -0.695 1.00 0.23 C ATOM 203 O LEU A 14 -0.423 7.421 -0.719 1.00 0.26 O ATOM 204 CB LEU A 14 -1.247 4.544 0.357 1.00 0.24 C ATOM 205 CG LEU A 14 -0.105 4.282 1.359 1.00 0.27 C ATOM 206 CD1 LEU A 14 0.421 5.581 1.982 1.00 0.41 C ATOM 207 CD2 LEU A 14 -0.617 3.362 2.459 1.00 0.32 C ATOM 0 H LEU A 14 -3.666 4.870 0.425 1.00 0.24 H new ATOM 0 HA LEU A 14 -1.406 6.457 1.389 1.00 0.22 H new ATOM 0 HB2 LEU A 14 -2.038 3.808 0.505 1.00 0.24 H new ATOM 0 HB3 LEU A 14 -0.877 4.414 -0.660 1.00 0.24 H new ATOM 0 HG LEU A 14 0.721 3.818 0.820 1.00 0.27 H new ATOM 0 HD11 LEU A 14 1.224 5.350 2.682 1.00 0.41 H new ATOM 0 HD12 LEU A 14 0.801 6.234 1.196 1.00 0.41 H new ATOM 0 HD13 LEU A 14 -0.388 6.084 2.512 1.00 0.41 H new ATOM 0 HD21 LEU A 14 0.183 3.170 3.174 1.00 0.32 H new ATOM 0 HD22 LEU A 14 -1.454 3.837 2.970 1.00 0.32 H new ATOM 0 HD23 LEU A 14 -0.947 2.420 2.021 1.00 0.32 H new ATOM 219 N ALA A 15 -2.326 6.929 -1.693 1.00 0.25 N ATOM 220 CA ALA A 15 -1.984 7.802 -2.867 1.00 0.28 C ATOM 221 C ALA A 15 -1.603 9.203 -2.368 1.00 0.28 C ATOM 222 O ALA A 15 -0.611 9.777 -2.786 1.00 0.31 O ATOM 223 CB ALA A 15 -3.251 7.870 -3.724 1.00 0.34 C ATOM 0 H ALA A 15 -3.228 6.455 -1.745 1.00 0.25 H new ATOM 0 HA ALA A 15 -1.142 7.410 -3.437 1.00 0.28 H new ATOM 0 HB1 ALA A 15 -3.066 8.494 -4.598 1.00 0.34 H new ATOM 0 HB2 ALA A 15 -3.526 6.866 -4.047 1.00 0.34 H new ATOM 0 HB3 ALA A 15 -4.064 8.299 -3.138 1.00 0.34 H new ATOM 229 N ARG A 16 -2.380 9.742 -1.453 1.00 0.29 N ATOM 230 CA ARG A 16 -2.067 11.096 -0.896 1.00 0.32 C ATOM 231 C ARG A 16 -0.760 11.036 -0.096 1.00 0.28 C ATOM 232 O ARG A 16 0.097 11.890 -0.226 1.00 0.32 O ATOM 233 CB ARG A 16 -3.233 11.448 0.038 1.00 0.36 C ATOM 234 CG ARG A 16 -4.569 11.330 -0.702 1.00 0.39 C ATOM 235 CD ARG A 16 -5.502 10.405 0.085 1.00 0.40 C ATOM 236 NE ARG A 16 -6.872 10.719 -0.413 1.00 0.45 N ATOM 237 CZ ARG A 16 -7.594 9.785 -0.971 1.00 0.50 C ATOM 238 NH1 ARG A 16 -8.315 8.985 -0.229 1.00 0.66 N ATOM 239 NH2 ARG A 16 -7.596 9.651 -2.272 1.00 0.67 N ATOM 0 H ARG A 16 -3.216 9.301 -1.070 1.00 0.29 H new ATOM 0 HA ARG A 16 -1.946 11.839 -1.685 1.00 0.32 H new ATOM 0 HB2 ARG A 16 -3.229 10.782 0.901 1.00 0.36 H new ATOM 0 HB3 ARG A 16 -3.109 12.462 0.417 1.00 0.36 H new ATOM 0 HG2 ARG A 16 -5.024 12.314 -0.815 1.00 0.39 H new ATOM 0 HG3 ARG A 16 -4.409 10.936 -1.706 1.00 0.39 H new ATOM 0 HD2 ARG A 16 -5.252 9.357 -0.083 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -5.422 10.584 1.157 1.00 0.40 H new ATOM 0 HE ARG A 16 -7.245 11.663 -0.318 1.00 0.45 H new ATOM 0 HH11 ARG A 16 -8.313 9.091 0.786 1.00 0.66 H new ATOM 0 HH12 ARG A 16 -8.879 8.255 -0.665 1.00 0.66 H new ATOM 0 HH21 ARG A 16 -7.034 10.276 -2.850 1.00 0.67 H new ATOM 0 HH22 ARG A 16 -8.160 8.922 -2.709 1.00 0.67 H new ATOM 253 N SER A 17 -0.607 10.029 0.735 1.00 0.26 N ATOM 254 CA SER A 17 0.642 9.907 1.552 1.00 0.26 C ATOM 255 C SER A 17 1.837 9.487 0.679 1.00 0.24 C ATOM 256 O SER A 17 2.966 9.791 0.994 1.00 0.33 O ATOM 257 CB SER A 17 0.333 8.834 2.597 1.00 0.27 C ATOM 258 OG SER A 17 1.227 8.974 3.693 1.00 0.75 O ATOM 0 H SER A 17 -1.293 9.288 0.881 1.00 0.26 H new ATOM 0 HA SER A 17 0.918 10.857 2.009 1.00 0.26 H new ATOM 0 HB2 SER A 17 -0.698 8.929 2.939 1.00 0.27 H new ATOM 0 HB3 SER A 17 0.432 7.842 2.157 1.00 0.27 H new ATOM 0 HG SER A 17 1.030 8.289 4.365 1.00 0.75 H new ATOM 264 N PHE A 18 1.599 8.797 -0.415 1.00 0.23 N ATOM 265 CA PHE A 18 2.723 8.364 -1.311 1.00 0.23 C ATOM 266 C PHE A 18 3.554 9.587 -1.717 1.00 0.26 C ATOM 267 O PHE A 18 4.761 9.618 -1.547 1.00 0.31 O ATOM 268 CB PHE A 18 2.041 7.752 -2.549 1.00 0.23 C ATOM 269 CG PHE A 18 1.997 6.238 -2.443 1.00 0.21 C ATOM 270 CD1 PHE A 18 1.901 5.615 -1.192 1.00 0.25 C ATOM 271 CD2 PHE A 18 2.055 5.457 -3.603 1.00 0.25 C ATOM 272 CE1 PHE A 18 1.862 4.218 -1.105 1.00 0.25 C ATOM 273 CE2 PHE A 18 2.017 4.060 -3.509 1.00 0.27 C ATOM 274 CZ PHE A 18 1.919 3.442 -2.262 1.00 0.23 C ATOM 0 H PHE A 18 0.670 8.514 -0.727 1.00 0.23 H new ATOM 0 HA PHE A 18 3.392 7.654 -0.825 1.00 0.23 H new ATOM 0 HB2 PHE A 18 1.029 8.145 -2.644 1.00 0.23 H new ATOM 0 HB3 PHE A 18 2.582 8.043 -3.450 1.00 0.23 H new ATOM 0 HD1 PHE A 18 1.857 6.213 -0.294 1.00 0.25 H new ATOM 0 HD2 PHE A 18 2.129 5.931 -4.570 1.00 0.25 H new ATOM 0 HE1 PHE A 18 1.788 3.740 -0.139 1.00 0.25 H new ATOM 0 HE2 PHE A 18 2.064 3.459 -4.405 1.00 0.27 H new ATOM 0 HZ PHE A 18 1.887 2.365 -2.193 1.00 0.23 H new ATOM 284 N ALA A 19 2.904 10.603 -2.238 1.00 0.26 N ATOM 285 CA ALA A 19 3.635 11.844 -2.648 1.00 0.30 C ATOM 286 C ALA A 19 4.198 12.566 -1.415 1.00 0.29 C ATOM 287 O ALA A 19 5.259 13.161 -1.467 1.00 0.36 O ATOM 288 CB ALA A 19 2.588 12.716 -3.342 1.00 0.36 C ATOM 0 H ALA A 19 1.897 10.625 -2.397 1.00 0.26 H new ATOM 0 HA ALA A 19 4.480 11.622 -3.300 1.00 0.30 H new ATOM 0 HB1 ALA A 19 3.050 13.646 -3.672 1.00 0.36 H new ATOM 0 HB2 ALA A 19 2.186 12.185 -4.205 1.00 0.36 H new ATOM 0 HB3 ALA A 19 1.780 12.939 -2.645 1.00 0.36 H new ATOM 294 N ARG A 20 3.495 12.515 -0.310 1.00 0.28 N ATOM 295 CA ARG A 20 3.979 13.195 0.931 1.00 0.31 C ATOM 296 C ARG A 20 5.172 12.444 1.535 1.00 0.29 C ATOM 297 O ARG A 20 6.114 13.045 2.015 1.00 0.35 O ATOM 298 CB ARG A 20 2.788 13.155 1.891 1.00 0.36 C ATOM 299 CG ARG A 20 2.895 14.313 2.879 1.00 0.60 C ATOM 300 CD ARG A 20 1.576 14.455 3.640 1.00 0.75 C ATOM 301 NE ARG A 20 1.683 13.500 4.777 1.00 1.15 N ATOM 302 CZ ARG A 20 1.666 13.942 6.004 1.00 1.60 C ATOM 303 NH1 ARG A 20 2.725 14.524 6.502 1.00 2.26 N ATOM 304 NH2 ARG A 20 0.587 13.814 6.728 1.00 1.88 N ATOM 0 H ARG A 20 2.603 12.029 -0.214 1.00 0.28 H new ATOM 0 HA ARG A 20 4.318 14.211 0.731 1.00 0.31 H new ATOM 0 HB2 ARG A 20 1.854 13.224 1.333 1.00 0.36 H new ATOM 0 HB3 ARG A 20 2.770 12.206 2.427 1.00 0.36 H new ATOM 0 HG2 ARG A 20 3.713 14.135 3.577 1.00 0.60 H new ATOM 0 HG3 ARG A 20 3.123 15.238 2.349 1.00 0.60 H new ATOM 0 HD2 ARG A 20 1.432 15.476 3.994 1.00 0.75 H new ATOM 0 HD3 ARG A 20 0.725 14.216 3.003 1.00 0.75 H new ATOM 0 HE ARG A 20 1.770 12.500 4.596 1.00 1.15 H new ATOM 0 HH11 ARG A 20 3.563 14.632 5.931 1.00 2.26 H new ATOM 0 HH12 ARG A 20 2.713 14.870 7.461 1.00 2.26 H new ATOM 0 HH21 ARG A 20 -0.242 13.369 6.334 1.00 1.88 H new ATOM 0 HH22 ARG A 20 0.573 14.159 7.688 1.00 1.88 H new ATOM 318 N MET A 21 5.132 11.135 1.513 1.00 0.28 N ATOM 319 CA MET A 21 6.253 10.321 2.084 1.00 0.28 C ATOM 320 C MET A 21 7.559 10.582 1.325 1.00 0.31 C ATOM 321 O MET A 21 8.634 10.420 1.866 1.00 0.38 O ATOM 322 CB MET A 21 5.818 8.868 1.910 1.00 0.30 C ATOM 323 CG MET A 21 4.713 8.538 2.916 1.00 0.34 C ATOM 324 SD MET A 21 5.361 7.414 4.175 1.00 0.71 S ATOM 325 CE MET A 21 3.825 7.199 5.103 1.00 1.12 C ATOM 0 H MET A 21 4.365 10.589 1.121 1.00 0.28 H new ATOM 0 HA MET A 21 6.444 10.572 3.127 1.00 0.28 H new ATOM 0 HB2 MET A 21 5.459 8.705 0.894 1.00 0.30 H new ATOM 0 HB3 MET A 21 6.669 8.203 2.058 1.00 0.30 H new ATOM 0 HG2 MET A 21 4.347 9.452 3.383 1.00 0.34 H new ATOM 0 HG3 MET A 21 3.866 8.080 2.405 1.00 0.34 H new ATOM 0 HE1 MET A 21 3.999 6.527 5.944 1.00 1.12 H new ATOM 0 HE2 MET A 21 3.486 8.166 5.475 1.00 1.12 H new ATOM 0 HE3 MET A 21 3.062 6.774 4.451 1.00 1.12 H new ATOM 335 N HIS A 22 7.474 10.983 0.077 1.00 0.33 N ATOM 336 CA HIS A 22 8.714 11.254 -0.717 1.00 0.38 C ATOM 337 C HIS A 22 9.602 12.288 -0.009 1.00 0.42 C ATOM 338 O HIS A 22 10.803 12.123 0.081 1.00 0.53 O ATOM 339 CB HIS A 22 8.216 11.802 -2.054 1.00 0.41 C ATOM 340 CG HIS A 22 9.338 11.787 -3.053 1.00 0.43 C ATOM 341 ND1 HIS A 22 10.127 12.902 -3.292 1.00 0.68 N ATOM 342 CD2 HIS A 22 9.822 10.802 -3.877 1.00 0.50 C ATOM 343 CE1 HIS A 22 11.035 12.562 -4.225 1.00 0.73 C ATOM 344 NE2 HIS A 22 10.894 11.293 -4.616 1.00 0.62 N ATOM 0 H HIS A 22 6.599 11.134 -0.425 1.00 0.33 H new ATOM 0 HA HIS A 22 9.321 10.357 -0.840 1.00 0.38 H new ATOM 0 HB2 HIS A 22 7.383 11.200 -2.418 1.00 0.41 H new ATOM 0 HB3 HIS A 22 7.843 12.818 -1.926 1.00 0.41 H new ATOM 0 HD2 HIS A 22 9.430 9.798 -3.942 1.00 0.50 H new ATOM 0 HE1 HIS A 22 11.787 13.234 -4.611 1.00 0.73 H new ATOM 0 HE2 HIS A 22 11.452 10.792 -5.307 1.00 0.62 H new ATOM 352 N ALA A 23 9.018 13.349 0.492 1.00 0.41 N ATOM 353 CA ALA A 23 9.824 14.398 1.195 1.00 0.49 C ATOM 354 C ALA A 23 10.137 13.981 2.639 1.00 0.47 C ATOM 355 O ALA A 23 11.134 14.391 3.204 1.00 0.63 O ATOM 356 CB ALA A 23 8.933 15.641 1.193 1.00 0.57 C ATOM 0 H ALA A 23 8.016 13.535 0.445 1.00 0.41 H new ATOM 0 HA ALA A 23 10.783 14.564 0.704 1.00 0.49 H new ATOM 0 HB1 ALA A 23 9.451 16.461 1.692 1.00 0.57 H new ATOM 0 HB2 ALA A 23 8.708 15.926 0.165 1.00 0.57 H new ATOM 0 HB3 ALA A 23 8.004 15.424 1.721 1.00 0.57 H new ATOM 362 N GLU A 24 9.289 13.186 3.241 1.00 0.41 N ATOM 363 CA GLU A 24 9.524 12.755 4.656 1.00 0.46 C ATOM 364 C GLU A 24 10.548 11.608 4.723 1.00 0.44 C ATOM 365 O GLU A 24 11.239 11.450 5.713 1.00 0.55 O ATOM 366 CB GLU A 24 8.153 12.290 5.150 1.00 0.51 C ATOM 367 CG GLU A 24 7.197 13.487 5.205 1.00 0.57 C ATOM 368 CD GLU A 24 5.784 13.010 5.549 1.00 0.57 C ATOM 369 OE1 GLU A 24 5.195 12.317 4.736 1.00 0.71 O ATOM 370 OE2 GLU A 24 5.314 13.350 6.621 1.00 0.70 O ATOM 0 H GLU A 24 8.441 12.815 2.813 1.00 0.41 H new ATOM 0 HA GLU A 24 9.934 13.559 5.267 1.00 0.46 H new ATOM 0 HB2 GLU A 24 7.755 11.524 4.485 1.00 0.51 H new ATOM 0 HB3 GLU A 24 8.244 11.838 6.138 1.00 0.51 H new ATOM 0 HG2 GLU A 24 7.540 14.203 5.951 1.00 0.57 H new ATOM 0 HG3 GLU A 24 7.192 14.004 4.245 1.00 0.57 H new ATOM 377 N GLY A 25 10.655 10.815 3.684 1.00 0.38 N ATOM 378 CA GLY A 25 11.637 9.687 3.690 1.00 0.42 C ATOM 379 C GLY A 25 11.107 8.530 4.547 1.00 0.38 C ATOM 380 O GLY A 25 11.832 7.957 5.339 1.00 0.50 O ATOM 0 H GLY A 25 10.103 10.901 2.831 1.00 0.38 H new ATOM 0 HA2 GLY A 25 11.814 9.343 2.671 1.00 0.42 H new ATOM 0 HA3 GLY A 25 12.595 10.030 4.081 1.00 0.42 H new ATOM 384 N ARG A 26 9.854 8.178 4.387 1.00 0.32 N ATOM 385 CA ARG A 26 9.279 7.048 5.182 1.00 0.30 C ATOM 386 C ARG A 26 8.925 5.886 4.247 1.00 0.27 C ATOM 387 O ARG A 26 8.807 6.079 3.052 1.00 0.31 O ATOM 388 CB ARG A 26 8.017 7.612 5.840 1.00 0.32 C ATOM 389 CG ARG A 26 8.276 7.830 7.331 1.00 0.53 C ATOM 390 CD ARG A 26 7.184 8.729 7.911 1.00 0.70 C ATOM 391 NE ARG A 26 7.834 10.058 8.077 1.00 1.21 N ATOM 392 CZ ARG A 26 7.372 10.899 8.962 1.00 1.76 C ATOM 393 NH1 ARG A 26 6.342 11.649 8.673 1.00 2.53 N ATOM 394 NH2 ARG A 26 7.935 10.983 10.136 1.00 2.21 N ATOM 0 H ARG A 26 9.205 8.625 3.740 1.00 0.32 H new ATOM 0 HA ARG A 26 9.980 6.666 5.925 1.00 0.30 H new ATOM 0 HB2 ARG A 26 7.736 8.553 5.367 1.00 0.32 H new ATOM 0 HB3 ARG A 26 7.183 6.924 5.701 1.00 0.32 H new ATOM 0 HG2 ARG A 26 8.289 6.873 7.853 1.00 0.53 H new ATOM 0 HG3 ARG A 26 9.255 8.287 7.478 1.00 0.53 H new ATOM 0 HD2 ARG A 26 6.325 8.789 7.243 1.00 0.70 H new ATOM 0 HD3 ARG A 26 6.820 8.345 8.864 1.00 0.70 H new ATOM 0 HE ARG A 26 8.637 10.310 7.501 1.00 1.21 H new ATOM 0 HH11 ARG A 26 5.900 11.577 7.757 1.00 2.53 H new ATOM 0 HH12 ARG A 26 5.980 12.307 9.364 1.00 2.53 H new ATOM 0 HH21 ARG A 26 8.735 10.392 10.361 1.00 2.21 H new ATOM 0 HH22 ARG A 26 7.575 11.640 10.828 1.00 2.21 H new ATOM 408 N PRO A 27 8.768 4.715 4.817 1.00 0.23 N ATOM 409 CA PRO A 27 8.431 3.516 4.009 1.00 0.23 C ATOM 410 C PRO A 27 7.015 3.619 3.430 1.00 0.23 C ATOM 411 O PRO A 27 6.055 3.891 4.130 1.00 0.25 O ATOM 412 CB PRO A 27 8.559 2.362 4.996 1.00 0.25 C ATOM 413 CG PRO A 27 8.369 2.980 6.341 1.00 0.24 C ATOM 414 CD PRO A 27 8.881 4.395 6.248 1.00 0.24 C ATOM 0 HA PRO A 27 9.082 3.391 3.144 1.00 0.23 H new ATOM 0 HB2 PRO A 27 7.809 1.594 4.805 1.00 0.25 H new ATOM 0 HB3 PRO A 27 9.534 1.881 4.917 1.00 0.25 H new ATOM 0 HG2 PRO A 27 7.317 2.968 6.627 1.00 0.24 H new ATOM 0 HG3 PRO A 27 8.913 2.422 7.103 1.00 0.24 H new ATOM 0 HD2 PRO A 27 8.288 5.076 6.858 1.00 0.24 H new ATOM 0 HD3 PRO A 27 9.911 4.471 6.595 1.00 0.24 H new ATOM 422 N VAL A 28 6.898 3.407 2.146 1.00 0.22 N ATOM 423 CA VAL A 28 5.573 3.484 1.456 1.00 0.23 C ATOM 424 C VAL A 28 5.450 2.277 0.529 1.00 0.22 C ATOM 425 O VAL A 28 6.264 2.095 -0.355 1.00 0.32 O ATOM 426 CB VAL A 28 5.595 4.787 0.637 1.00 0.27 C ATOM 427 CG1 VAL A 28 4.190 5.364 0.558 1.00 0.42 C ATOM 428 CG2 VAL A 28 6.506 5.834 1.286 1.00 0.24 C ATOM 0 H VAL A 28 7.680 3.179 1.533 1.00 0.22 H new ATOM 0 HA VAL A 28 4.733 3.479 2.151 1.00 0.23 H new ATOM 0 HB VAL A 28 5.973 4.549 -0.357 1.00 0.27 H new ATOM 0 HG11 VAL A 28 4.208 6.287 -0.022 1.00 0.42 H new ATOM 0 HG12 VAL A 28 3.528 4.645 0.076 1.00 0.42 H new ATOM 0 HG13 VAL A 28 3.826 5.575 1.564 1.00 0.42 H new ATOM 0 HG21 VAL A 28 6.501 6.743 0.685 1.00 0.24 H new ATOM 0 HG22 VAL A 28 6.144 6.060 2.289 1.00 0.24 H new ATOM 0 HG23 VAL A 28 7.522 5.445 1.347 1.00 0.24 H new ATOM 438 N ASP A 29 4.466 1.437 0.727 1.00 0.22 N ATOM 439 CA ASP A 29 4.344 0.234 -0.151 1.00 0.23 C ATOM 440 C ASP A 29 3.951 0.647 -1.575 1.00 0.21 C ATOM 441 O ASP A 29 2.789 0.630 -1.951 1.00 0.23 O ATOM 442 CB ASP A 29 3.241 -0.615 0.489 1.00 0.29 C ATOM 443 CG ASP A 29 3.559 -2.096 0.293 1.00 0.34 C ATOM 444 OD1 ASP A 29 3.297 -2.604 -0.785 1.00 0.48 O ATOM 445 OD2 ASP A 29 4.060 -2.700 1.225 1.00 0.50 O ATOM 0 H ASP A 29 3.751 1.529 1.448 1.00 0.22 H new ATOM 0 HA ASP A 29 5.284 -0.312 -0.232 1.00 0.23 H new ATOM 0 HB2 ASP A 29 3.162 -0.387 1.552 1.00 0.29 H new ATOM 0 HB3 ASP A 29 2.277 -0.377 0.040 1.00 0.29 H new ATOM 450 N ILE A 30 4.921 0.975 -2.392 1.00 0.20 N ATOM 451 CA ILE A 30 4.602 1.355 -3.795 1.00 0.21 C ATOM 452 C ILE A 30 4.139 0.109 -4.546 1.00 0.24 C ATOM 453 O ILE A 30 3.271 0.177 -5.390 1.00 0.25 O ATOM 454 CB ILE A 30 5.897 1.913 -4.390 1.00 0.23 C ATOM 455 CG1 ILE A 30 6.214 3.263 -3.732 1.00 0.24 C ATOM 456 CG2 ILE A 30 5.719 2.108 -5.902 1.00 0.31 C ATOM 457 CD1 ILE A 30 5.296 4.348 -4.304 1.00 0.30 C ATOM 0 H ILE A 30 5.911 0.995 -2.147 1.00 0.20 H new ATOM 0 HA ILE A 30 3.807 2.097 -3.860 1.00 0.21 H new ATOM 0 HB ILE A 30 6.716 1.217 -4.208 1.00 0.23 H new ATOM 0 HG12 ILE A 30 6.080 3.192 -2.653 1.00 0.24 H new ATOM 0 HG13 ILE A 30 7.257 3.527 -3.907 1.00 0.24 H new ATOM 0 HG21 ILE A 30 6.640 2.505 -6.329 1.00 0.31 H new ATOM 0 HG22 ILE A 30 5.487 1.150 -6.368 1.00 0.31 H new ATOM 0 HG23 ILE A 30 4.903 2.807 -6.085 1.00 0.31 H new ATOM 0 HD11 ILE A 30 5.525 5.304 -3.833 1.00 0.30 H new ATOM 0 HD12 ILE A 30 5.452 4.427 -5.380 1.00 0.30 H new ATOM 0 HD13 ILE A 30 4.256 4.086 -4.106 1.00 0.30 H new ATOM 469 N LEU A 31 4.703 -1.034 -4.214 1.00 0.27 N ATOM 470 CA LEU A 31 4.292 -2.308 -4.875 1.00 0.32 C ATOM 471 C LEU A 31 2.774 -2.467 -4.769 1.00 0.30 C ATOM 472 O LEU A 31 2.117 -2.848 -5.719 1.00 0.33 O ATOM 473 CB LEU A 31 5.039 -3.408 -4.094 1.00 0.38 C ATOM 474 CG LEU A 31 4.446 -4.801 -4.370 1.00 0.43 C ATOM 475 CD1 LEU A 31 3.126 -4.967 -3.609 1.00 0.42 C ATOM 476 CD2 LEU A 31 4.210 -4.980 -5.875 1.00 0.45 C ATOM 0 H LEU A 31 5.434 -1.133 -3.509 1.00 0.27 H new ATOM 0 HA LEU A 31 4.534 -2.346 -5.937 1.00 0.32 H new ATOM 0 HB2 LEU A 31 6.093 -3.399 -4.371 1.00 0.38 H new ATOM 0 HB3 LEU A 31 4.988 -3.195 -3.026 1.00 0.38 H new ATOM 0 HG LEU A 31 5.149 -5.561 -4.029 1.00 0.43 H new ATOM 0 HD11 LEU A 31 2.712 -5.955 -3.809 1.00 0.42 H new ATOM 0 HD12 LEU A 31 3.307 -4.859 -2.539 1.00 0.42 H new ATOM 0 HD13 LEU A 31 2.419 -4.205 -3.936 1.00 0.42 H new ATOM 0 HD21 LEU A 31 3.790 -5.968 -6.062 1.00 0.45 H new ATOM 0 HD22 LEU A 31 3.515 -4.218 -6.228 1.00 0.45 H new ATOM 0 HD23 LEU A 31 5.157 -4.881 -6.406 1.00 0.45 H new ATOM 488 N ALA A 32 2.212 -2.145 -3.632 1.00 0.29 N ATOM 489 CA ALA A 32 0.731 -2.237 -3.473 1.00 0.31 C ATOM 490 C ALA A 32 0.060 -1.498 -4.637 1.00 0.28 C ATOM 491 O ALA A 32 -0.946 -1.927 -5.170 1.00 0.34 O ATOM 492 CB ALA A 32 0.443 -1.524 -2.154 1.00 0.33 C ATOM 0 H ALA A 32 2.716 -1.822 -2.806 1.00 0.29 H new ATOM 0 HA ALA A 32 0.360 -3.262 -3.471 1.00 0.31 H new ATOM 0 HB1 ALA A 32 -0.629 -1.544 -1.956 1.00 0.33 H new ATOM 0 HB2 ALA A 32 0.971 -2.029 -1.345 1.00 0.33 H new ATOM 0 HB3 ALA A 32 0.781 -0.490 -2.218 1.00 0.33 H new ATOM 498 N VAL A 33 0.635 -0.388 -5.027 1.00 0.25 N ATOM 499 CA VAL A 33 0.078 0.417 -6.158 1.00 0.25 C ATOM 500 C VAL A 33 0.552 -0.115 -7.531 1.00 0.26 C ATOM 501 O VAL A 33 0.034 0.280 -8.561 1.00 0.35 O ATOM 502 CB VAL A 33 0.610 1.829 -5.886 1.00 0.25 C ATOM 503 CG1 VAL A 33 0.789 2.613 -7.192 1.00 0.26 C ATOM 504 CG2 VAL A 33 -0.387 2.563 -4.987 1.00 0.32 C ATOM 0 H VAL A 33 1.478 -0.000 -4.604 1.00 0.25 H new ATOM 0 HA VAL A 33 -1.010 0.376 -6.207 1.00 0.25 H new ATOM 0 HB VAL A 33 1.582 1.752 -5.399 1.00 0.25 H new ATOM 0 HG11 VAL A 33 1.167 3.611 -6.969 1.00 0.26 H new ATOM 0 HG12 VAL A 33 1.498 2.092 -7.835 1.00 0.26 H new ATOM 0 HG13 VAL A 33 -0.171 2.695 -7.702 1.00 0.26 H new ATOM 0 HG21 VAL A 33 -0.022 3.570 -4.785 1.00 0.32 H new ATOM 0 HG22 VAL A 33 -1.354 2.621 -5.487 1.00 0.32 H new ATOM 0 HG23 VAL A 33 -0.497 2.021 -4.048 1.00 0.32 H new ATOM 514 N THR A 34 1.523 -0.996 -7.565 1.00 0.26 N ATOM 515 CA THR A 34 2.011 -1.529 -8.883 1.00 0.31 C ATOM 516 C THR A 34 1.361 -2.888 -9.201 1.00 0.36 C ATOM 517 O THR A 34 1.932 -3.698 -9.910 1.00 0.41 O ATOM 518 CB THR A 34 3.539 -1.686 -8.738 1.00 0.33 C ATOM 519 OG1 THR A 34 3.836 -2.919 -8.094 1.00 0.38 O ATOM 520 CG2 THR A 34 4.123 -0.539 -7.912 1.00 0.31 C ATOM 0 H THR A 34 1.999 -1.369 -6.743 1.00 0.26 H new ATOM 0 HA THR A 34 1.751 -0.856 -9.700 1.00 0.31 H new ATOM 0 HB THR A 34 3.982 -1.669 -9.734 1.00 0.33 H new ATOM 0 HG1 THR A 34 4.807 -3.016 -8.005 1.00 0.38 H new ATOM 0 HG21 THR A 34 5.202 -0.668 -7.821 1.00 0.31 H new ATOM 0 HG22 THR A 34 3.911 0.409 -8.406 1.00 0.31 H new ATOM 0 HG23 THR A 34 3.673 -0.540 -6.919 1.00 0.31 H new ATOM 528 N GLY A 35 0.179 -3.146 -8.690 1.00 0.38 N ATOM 529 CA GLY A 35 -0.496 -4.450 -8.967 1.00 0.46 C ATOM 530 C GLY A 35 -0.732 -4.604 -10.472 1.00 0.49 C ATOM 531 O GLY A 35 0.050 -5.223 -11.170 1.00 0.59 O ATOM 0 H GLY A 35 -0.346 -2.507 -8.093 1.00 0.38 H new ATOM 0 HA2 GLY A 35 0.118 -5.273 -8.600 1.00 0.46 H new ATOM 0 HA3 GLY A 35 -1.446 -4.499 -8.434 1.00 0.46 H new ATOM 535 N ASN A 36 -1.804 -4.045 -10.976 1.00 0.49 N ATOM 536 CA ASN A 36 -2.096 -4.154 -12.440 1.00 0.55 C ATOM 537 C ASN A 36 -3.148 -3.113 -12.850 1.00 0.54 C ATOM 538 O ASN A 36 -4.178 -3.442 -13.411 1.00 0.63 O ATOM 539 CB ASN A 36 -2.631 -5.579 -12.632 1.00 0.63 C ATOM 540 CG ASN A 36 -2.052 -6.173 -13.918 1.00 0.80 C ATOM 541 OD1 ASN A 36 -0.961 -6.705 -13.916 1.00 1.17 O ATOM 542 ND2 ASN A 36 -2.742 -6.101 -15.024 1.00 1.18 N ATOM 0 H ASN A 36 -2.491 -3.517 -10.437 1.00 0.49 H new ATOM 0 HA ASN A 36 -1.216 -3.967 -13.055 1.00 0.55 H new ATOM 0 HB2 ASN A 36 -2.359 -6.199 -11.778 1.00 0.63 H new ATOM 0 HB3 ASN A 36 -3.720 -5.566 -12.683 1.00 0.63 H new ATOM 0 HD21 ASN A 36 -2.364 -6.492 -15.887 1.00 1.18 H new ATOM 0 HD22 ASN A 36 -3.659 -5.654 -15.025 1.00 1.18 H new ATOM 549 N MET A 37 -2.897 -1.859 -12.563 1.00 0.50 N ATOM 550 CA MET A 37 -3.881 -0.789 -12.921 1.00 0.53 C ATOM 551 C MET A 37 -3.207 0.591 -12.901 1.00 0.54 C ATOM 552 O MET A 37 -3.701 1.524 -12.293 1.00 0.65 O ATOM 553 CB MET A 37 -4.967 -0.876 -11.839 1.00 0.53 C ATOM 554 CG MET A 37 -4.323 -0.792 -10.447 1.00 0.51 C ATOM 555 SD MET A 37 -5.598 -1.002 -9.180 1.00 0.88 S ATOM 556 CE MET A 37 -6.176 0.712 -9.159 1.00 1.09 C ATOM 0 H MET A 37 -2.052 -1.529 -12.096 1.00 0.50 H new ATOM 0 HA MET A 37 -4.288 -0.922 -13.923 1.00 0.53 H new ATOM 0 HB2 MET A 37 -5.686 -0.067 -11.967 1.00 0.53 H new ATOM 0 HB3 MET A 37 -5.519 -1.811 -11.939 1.00 0.53 H new ATOM 0 HG2 MET A 37 -3.559 -1.562 -10.341 1.00 0.51 H new ATOM 0 HG3 MET A 37 -3.826 0.170 -10.322 1.00 0.51 H new ATOM 0 HE1 MET A 37 -5.866 1.189 -8.229 1.00 1.09 H new ATOM 0 HE2 MET A 37 -5.748 1.251 -10.004 1.00 1.09 H new ATOM 0 HE3 MET A 37 -7.263 0.730 -9.231 1.00 1.09 H new ATOM 566 N ASP A 38 -2.079 0.727 -13.555 1.00 0.54 N ATOM 567 CA ASP A 38 -1.377 2.045 -13.561 1.00 0.56 C ATOM 568 C ASP A 38 -0.443 2.162 -14.773 1.00 0.54 C ATOM 569 O ASP A 38 0.616 1.564 -14.813 1.00 0.61 O ATOM 570 CB ASP A 38 -0.580 2.067 -12.252 1.00 0.68 C ATOM 571 CG ASP A 38 -0.960 3.304 -11.432 1.00 0.88 C ATOM 572 OD1 ASP A 38 -0.966 4.391 -11.992 1.00 1.01 O ATOM 573 OD2 ASP A 38 -1.231 3.146 -10.255 1.00 1.28 O ATOM 0 H ASP A 38 -1.617 -0.014 -14.082 1.00 0.54 H new ATOM 0 HA ASP A 38 -2.072 2.881 -13.633 1.00 0.56 H new ATOM 0 HB2 ASP A 38 -0.782 1.163 -11.678 1.00 0.68 H new ATOM 0 HB3 ASP A 38 0.489 2.076 -12.467 1.00 0.68 H new ATOM 578 N GLU A 39 -0.827 2.944 -15.752 1.00 0.54 N ATOM 579 CA GLU A 39 0.035 3.124 -16.962 1.00 0.58 C ATOM 580 C GLU A 39 1.041 4.249 -16.711 1.00 0.56 C ATOM 581 O GLU A 39 2.222 4.108 -16.974 1.00 0.61 O ATOM 582 CB GLU A 39 -0.922 3.511 -18.093 1.00 0.68 C ATOM 583 CG GLU A 39 -1.511 2.247 -18.727 1.00 0.78 C ATOM 584 CD GLU A 39 -2.858 1.925 -18.078 1.00 1.08 C ATOM 585 OE1 GLU A 39 -3.856 2.458 -18.536 1.00 1.45 O ATOM 586 OE2 GLU A 39 -2.870 1.149 -17.136 1.00 1.54 O ATOM 0 H GLU A 39 -1.703 3.467 -15.765 1.00 0.54 H new ATOM 0 HA GLU A 39 0.599 2.223 -17.205 1.00 0.58 H new ATOM 0 HB2 GLU A 39 -1.722 4.142 -17.705 1.00 0.68 H new ATOM 0 HB3 GLU A 39 -0.393 4.095 -18.846 1.00 0.68 H new ATOM 0 HG2 GLU A 39 -1.639 2.392 -19.800 1.00 0.78 H new ATOM 0 HG3 GLU A 39 -0.825 1.410 -18.598 1.00 0.78 H new ATOM 593 N GLU A 40 0.580 5.362 -16.192 1.00 0.55 N ATOM 594 CA GLU A 40 1.502 6.503 -15.905 1.00 0.56 C ATOM 595 C GLU A 40 2.439 6.151 -14.737 1.00 0.48 C ATOM 596 O GLU A 40 3.489 6.743 -14.579 1.00 0.50 O ATOM 597 CB GLU A 40 0.589 7.673 -15.527 1.00 0.64 C ATOM 598 CG GLU A 40 1.381 8.984 -15.578 1.00 0.74 C ATOM 599 CD GLU A 40 1.612 9.504 -14.157 1.00 0.96 C ATOM 600 OE1 GLU A 40 0.681 10.053 -13.590 1.00 1.32 O ATOM 601 OE2 GLU A 40 2.716 9.347 -13.660 1.00 1.13 O ATOM 0 H GLU A 40 -0.398 5.528 -15.955 1.00 0.55 H new ATOM 0 HA GLU A 40 2.135 6.742 -16.759 1.00 0.56 H new ATOM 0 HB2 GLU A 40 -0.258 7.722 -16.211 1.00 0.64 H new ATOM 0 HB3 GLU A 40 0.182 7.521 -14.527 1.00 0.64 H new ATOM 0 HG2 GLU A 40 2.337 8.823 -16.076 1.00 0.74 H new ATOM 0 HG3 GLU A 40 0.837 9.726 -16.163 1.00 0.74 H new ATOM 608 N HIS A 41 2.064 5.189 -13.924 1.00 0.45 N ATOM 609 CA HIS A 41 2.925 4.787 -12.766 1.00 0.41 C ATOM 610 C HIS A 41 4.329 4.360 -13.239 1.00 0.38 C ATOM 611 O HIS A 41 5.269 4.377 -12.470 1.00 0.37 O ATOM 612 CB HIS A 41 2.179 3.614 -12.121 1.00 0.46 C ATOM 613 CG HIS A 41 3.028 2.981 -11.053 1.00 0.48 C ATOM 614 ND1 HIS A 41 2.982 3.395 -9.731 1.00 0.58 N ATOM 615 CD2 HIS A 41 3.953 1.967 -11.096 1.00 0.69 C ATOM 616 CE1 HIS A 41 3.855 2.642 -9.039 1.00 0.71 C ATOM 617 NE2 HIS A 41 4.473 1.755 -9.823 1.00 0.78 N ATOM 0 H HIS A 41 1.194 4.664 -14.014 1.00 0.45 H new ATOM 0 HA HIS A 41 3.085 5.608 -12.067 1.00 0.41 H new ATOM 0 HB2 HIS A 41 1.241 3.963 -11.690 1.00 0.46 H new ATOM 0 HB3 HIS A 41 1.925 2.874 -12.880 1.00 0.46 H new ATOM 0 HD2 HIS A 41 4.234 1.418 -11.983 1.00 0.69 H new ATOM 0 HE1 HIS A 41 4.034 2.742 -7.979 1.00 0.71 H new ATOM 0 HE2 HIS A 41 5.176 1.069 -9.548 1.00 0.78 H new ATOM 625 N ARG A 42 4.480 3.984 -14.493 1.00 0.44 N ATOM 626 CA ARG A 42 5.829 3.566 -15.004 1.00 0.49 C ATOM 627 C ARG A 42 6.877 4.651 -14.713 1.00 0.44 C ATOM 628 O ARG A 42 7.846 4.410 -14.018 1.00 0.46 O ATOM 629 CB ARG A 42 5.654 3.382 -16.516 1.00 0.60 C ATOM 630 CG ARG A 42 5.825 1.905 -16.876 1.00 0.92 C ATOM 631 CD ARG A 42 4.466 1.302 -17.240 1.00 1.24 C ATOM 632 NE ARG A 42 4.392 0.028 -16.473 1.00 1.37 N ATOM 633 CZ ARG A 42 3.450 -0.146 -15.587 1.00 1.57 C ATOM 634 NH1 ARG A 42 2.273 -0.572 -15.964 1.00 1.92 N ATOM 635 NH2 ARG A 42 3.685 0.107 -14.328 1.00 1.78 N ATOM 0 H ARG A 42 3.728 3.949 -15.182 1.00 0.44 H new ATOM 0 HA ARG A 42 6.178 2.653 -14.522 1.00 0.49 H new ATOM 0 HB2 ARG A 42 4.668 3.730 -16.823 1.00 0.60 H new ATOM 0 HB3 ARG A 42 6.386 3.985 -17.053 1.00 0.60 H new ATOM 0 HG2 ARG A 42 6.515 1.802 -17.713 1.00 0.92 H new ATOM 0 HG3 ARG A 42 6.260 1.364 -16.036 1.00 0.92 H new ATOM 0 HD2 ARG A 42 3.651 1.973 -16.970 1.00 1.24 H new ATOM 0 HD3 ARG A 42 4.388 1.122 -18.312 1.00 1.24 H new ATOM 0 HE ARG A 42 5.078 -0.709 -16.640 1.00 1.37 H new ATOM 0 HH11 ARG A 42 2.093 -0.768 -16.949 1.00 1.92 H new ATOM 0 HH12 ARG A 42 1.535 -0.709 -15.273 1.00 1.92 H new ATOM 0 HH21 ARG A 42 4.604 0.440 -14.038 1.00 1.78 H new ATOM 0 HH22 ARG A 42 2.949 -0.029 -13.635 1.00 1.78 H new ATOM 649 N THR A 43 6.682 5.845 -15.228 1.00 0.42 N ATOM 650 CA THR A 43 7.664 6.947 -14.964 1.00 0.42 C ATOM 651 C THR A 43 7.575 7.383 -13.494 1.00 0.36 C ATOM 652 O THR A 43 8.567 7.745 -12.882 1.00 0.37 O ATOM 653 CB THR A 43 7.274 8.091 -15.917 1.00 0.48 C ATOM 654 OG1 THR A 43 8.285 9.089 -15.888 1.00 0.57 O ATOM 655 CG2 THR A 43 5.937 8.711 -15.498 1.00 0.49 C ATOM 0 H THR A 43 5.890 6.102 -15.816 1.00 0.42 H new ATOM 0 HA THR A 43 8.694 6.635 -15.137 1.00 0.42 H new ATOM 0 HB THR A 43 7.172 7.689 -16.925 1.00 0.48 H new ATOM 0 HG1 THR A 43 8.042 9.819 -16.495 1.00 0.57 H new ATOM 0 HG21 THR A 43 5.679 9.518 -16.184 1.00 0.49 H new ATOM 0 HG22 THR A 43 5.158 7.949 -15.525 1.00 0.49 H new ATOM 0 HG23 THR A 43 6.021 9.108 -14.486 1.00 0.49 H new ATOM 663 N TRP A 44 6.393 7.327 -12.920 1.00 0.35 N ATOM 664 CA TRP A 44 6.230 7.712 -11.488 1.00 0.34 C ATOM 665 C TRP A 44 7.127 6.823 -10.617 1.00 0.32 C ATOM 666 O TRP A 44 7.824 7.308 -9.751 1.00 0.34 O ATOM 667 CB TRP A 44 4.736 7.491 -11.181 1.00 0.36 C ATOM 668 CG TRP A 44 4.535 7.126 -9.738 1.00 0.35 C ATOM 669 CD1 TRP A 44 4.705 5.888 -9.221 1.00 0.42 C ATOM 670 CD2 TRP A 44 4.123 7.977 -8.628 1.00 0.33 C ATOM 671 NE1 TRP A 44 4.435 5.924 -7.866 1.00 0.43 N ATOM 672 CE2 TRP A 44 4.068 7.188 -7.452 1.00 0.38 C ATOM 673 CE3 TRP A 44 3.795 9.341 -8.524 1.00 0.35 C ATOM 674 CZ2 TRP A 44 3.705 7.733 -6.221 1.00 0.41 C ATOM 675 CZ3 TRP A 44 3.427 9.892 -7.285 1.00 0.41 C ATOM 676 CH2 TRP A 44 3.382 9.089 -6.137 1.00 0.42 C ATOM 0 H TRP A 44 5.536 7.030 -13.387 1.00 0.35 H new ATOM 0 HA TRP A 44 6.520 8.743 -11.285 1.00 0.34 H new ATOM 0 HB2 TRP A 44 4.175 8.396 -11.413 1.00 0.36 H new ATOM 0 HB3 TRP A 44 4.342 6.700 -11.819 1.00 0.36 H new ATOM 0 HD1 TRP A 44 5.004 5.012 -9.778 1.00 0.42 H new ATOM 0 HE1 TRP A 44 4.499 5.115 -7.248 1.00 0.43 H new ATOM 0 HE3 TRP A 44 3.826 9.969 -9.402 1.00 0.35 H new ATOM 0 HZ2 TRP A 44 3.674 7.111 -5.339 1.00 0.41 H new ATOM 0 HZ3 TRP A 44 3.177 10.941 -7.217 1.00 0.41 H new ATOM 0 HH2 TRP A 44 3.098 9.519 -5.188 1.00 0.42 H new ATOM 687 N PHE A 45 7.120 5.527 -10.843 1.00 0.33 N ATOM 688 CA PHE A 45 7.980 4.632 -10.014 1.00 0.32 C ATOM 689 C PHE A 45 9.457 4.817 -10.359 1.00 0.33 C ATOM 690 O PHE A 45 10.302 4.500 -9.568 1.00 0.35 O ATOM 691 CB PHE A 45 7.541 3.191 -10.300 1.00 0.36 C ATOM 692 CG PHE A 45 7.814 2.317 -9.079 1.00 0.33 C ATOM 693 CD1 PHE A 45 8.514 2.827 -7.968 1.00 0.32 C ATOM 694 CD2 PHE A 45 7.353 0.995 -9.054 1.00 0.37 C ATOM 695 CE1 PHE A 45 8.743 2.021 -6.849 1.00 0.33 C ATOM 696 CE2 PHE A 45 7.587 0.188 -7.933 1.00 0.38 C ATOM 697 CZ PHE A 45 8.280 0.701 -6.830 1.00 0.35 C ATOM 0 H PHE A 45 6.562 5.060 -11.557 1.00 0.33 H new ATOM 0 HA PHE A 45 7.866 4.871 -8.957 1.00 0.32 H new ATOM 0 HB2 PHE A 45 6.480 3.166 -10.547 1.00 0.36 H new ATOM 0 HB3 PHE A 45 8.078 2.802 -11.165 1.00 0.36 H new ATOM 0 HD1 PHE A 45 8.875 3.845 -7.981 1.00 0.32 H new ATOM 0 HD2 PHE A 45 6.815 0.596 -9.902 1.00 0.37 H new ATOM 0 HE1 PHE A 45 9.278 2.418 -5.999 1.00 0.33 H new ATOM 0 HE2 PHE A 45 7.232 -0.832 -7.920 1.00 0.38 H new ATOM 0 HZ PHE A 45 8.457 0.078 -5.965 1.00 0.35 H new ATOM 707 N CYS A 46 9.791 5.336 -11.515 1.00 0.35 N ATOM 708 CA CYS A 46 11.241 5.536 -11.832 1.00 0.38 C ATOM 709 C CYS A 46 11.872 6.390 -10.720 1.00 0.36 C ATOM 710 O CYS A 46 12.822 5.986 -10.059 1.00 0.37 O ATOM 711 CB CYS A 46 11.272 6.274 -13.175 1.00 0.44 C ATOM 712 SG CYS A 46 12.665 5.674 -14.163 1.00 1.11 S ATOM 0 H CYS A 46 9.136 5.626 -12.242 1.00 0.35 H new ATOM 0 HA CYS A 46 11.798 4.601 -11.893 1.00 0.38 H new ATOM 0 HB2 CYS A 46 10.337 6.114 -13.711 1.00 0.44 H new ATOM 0 HB3 CYS A 46 11.365 7.347 -13.010 1.00 0.44 H new ATOM 0 HG CYS A 46 12.689 6.299 -15.303 1.00 1.11 H new ATOM 718 N ALA A 47 11.316 7.557 -10.489 1.00 0.37 N ATOM 719 CA ALA A 47 11.841 8.448 -9.408 1.00 0.39 C ATOM 720 C ALA A 47 11.431 7.920 -8.020 1.00 0.34 C ATOM 721 O ALA A 47 12.082 8.198 -7.032 1.00 0.37 O ATOM 722 CB ALA A 47 11.201 9.812 -9.673 1.00 0.45 C ATOM 0 H ALA A 47 10.519 7.930 -11.005 1.00 0.37 H new ATOM 0 HA ALA A 47 12.930 8.497 -9.413 1.00 0.39 H new ATOM 0 HB1 ALA A 47 11.537 10.524 -8.920 1.00 0.45 H new ATOM 0 HB2 ALA A 47 11.493 10.165 -10.662 1.00 0.45 H new ATOM 0 HB3 ALA A 47 10.116 9.720 -9.626 1.00 0.45 H new ATOM 728 N ARG A 48 10.361 7.157 -7.941 1.00 0.31 N ATOM 729 CA ARG A 48 9.919 6.609 -6.617 1.00 0.29 C ATOM 730 C ARG A 48 10.605 5.262 -6.337 1.00 0.27 C ATOM 731 O ARG A 48 10.582 4.766 -5.227 1.00 0.32 O ATOM 732 CB ARG A 48 8.405 6.415 -6.734 1.00 0.30 C ATOM 733 CG ARG A 48 7.734 7.749 -7.062 1.00 0.33 C ATOM 734 CD ARG A 48 7.636 8.607 -5.802 1.00 0.46 C ATOM 735 NE ARG A 48 6.663 9.676 -6.153 1.00 0.45 N ATOM 736 CZ ARG A 48 6.693 10.815 -5.527 1.00 0.78 C ATOM 737 NH1 ARG A 48 6.266 10.889 -4.296 1.00 1.41 N ATOM 738 NH2 ARG A 48 7.152 11.879 -6.131 1.00 1.42 N ATOM 0 H ARG A 48 9.778 6.892 -8.735 1.00 0.31 H new ATOM 0 HA ARG A 48 10.180 7.280 -5.799 1.00 0.29 H new ATOM 0 HB2 ARG A 48 8.182 5.685 -7.512 1.00 0.30 H new ATOM 0 HB3 ARG A 48 8.007 6.018 -5.800 1.00 0.30 H new ATOM 0 HG2 ARG A 48 8.306 8.275 -7.827 1.00 0.33 H new ATOM 0 HG3 ARG A 48 6.739 7.574 -7.472 1.00 0.33 H new ATOM 0 HD2 ARG A 48 7.292 8.022 -4.949 1.00 0.46 H new ATOM 0 HD3 ARG A 48 8.605 9.026 -5.531 1.00 0.46 H new ATOM 0 HE ARG A 48 5.972 9.515 -6.886 1.00 0.45 H new ATOM 0 HH11 ARG A 48 5.910 10.055 -3.829 1.00 1.41 H new ATOM 0 HH12 ARG A 48 6.288 11.781 -3.801 1.00 1.41 H new ATOM 0 HH21 ARG A 48 7.486 11.815 -7.093 1.00 1.42 H new ATOM 0 HH22 ARG A 48 7.176 12.773 -5.641 1.00 1.42 H new ATOM 752 N TYR A 49 11.224 4.680 -7.333 1.00 0.27 N ATOM 753 CA TYR A 49 11.931 3.380 -7.147 1.00 0.29 C ATOM 754 C TYR A 49 13.151 3.636 -6.290 1.00 0.28 C ATOM 755 O TYR A 49 13.344 3.042 -5.247 1.00 0.32 O ATOM 756 CB TYR A 49 12.382 2.965 -8.551 1.00 0.33 C ATOM 757 CG TYR A 49 11.583 1.780 -9.046 1.00 0.37 C ATOM 758 CD1 TYR A 49 11.444 0.641 -8.242 1.00 0.41 C ATOM 759 CD2 TYR A 49 10.993 1.815 -10.315 1.00 0.43 C ATOM 760 CE1 TYR A 49 10.717 -0.460 -8.709 1.00 0.48 C ATOM 761 CE2 TYR A 49 10.264 0.714 -10.780 1.00 0.48 C ATOM 762 CZ TYR A 49 10.126 -0.424 -9.977 1.00 0.49 C ATOM 763 OH TYR A 49 9.410 -1.510 -10.437 1.00 0.57 O ATOM 0 H TYR A 49 11.269 5.057 -8.280 1.00 0.27 H new ATOM 0 HA TYR A 49 11.310 2.617 -6.677 1.00 0.29 H new ATOM 0 HB2 TYR A 49 12.262 3.802 -9.238 1.00 0.33 H new ATOM 0 HB3 TYR A 49 13.443 2.714 -8.537 1.00 0.33 H new ATOM 0 HD1 TYR A 49 11.898 0.613 -7.262 1.00 0.41 H new ATOM 0 HD2 TYR A 49 11.100 2.692 -10.936 1.00 0.43 H new ATOM 0 HE1 TYR A 49 10.612 -1.339 -8.090 1.00 0.48 H new ATOM 0 HE2 TYR A 49 9.808 0.743 -11.759 1.00 0.48 H new ATOM 0 HH TYR A 49 9.066 -1.319 -11.334 1.00 0.57 H new ATOM 773 N ALA A 50 13.964 4.551 -6.741 1.00 0.27 N ATOM 774 CA ALA A 50 15.188 4.923 -5.991 1.00 0.28 C ATOM 775 C ALA A 50 14.800 5.528 -4.644 1.00 0.26 C ATOM 776 O ALA A 50 15.365 5.200 -3.619 1.00 0.29 O ATOM 777 CB ALA A 50 15.836 5.974 -6.867 1.00 0.31 C ATOM 0 H ALA A 50 13.826 5.063 -7.612 1.00 0.27 H new ATOM 0 HA ALA A 50 15.844 4.077 -5.787 1.00 0.28 H new ATOM 0 HB1 ALA A 50 16.758 6.319 -6.399 1.00 0.31 H new ATOM 0 HB2 ALA A 50 16.063 5.545 -7.843 1.00 0.31 H new ATOM 0 HB3 ALA A 50 15.154 6.816 -6.990 1.00 0.31 H new ATOM 783 N TRP A 51 13.822 6.401 -4.648 1.00 0.25 N ATOM 784 CA TRP A 51 13.364 7.026 -3.377 1.00 0.24 C ATOM 785 C TRP A 51 12.976 5.920 -2.398 1.00 0.23 C ATOM 786 O TRP A 51 13.535 5.815 -1.330 1.00 0.28 O ATOM 787 CB TRP A 51 12.153 7.883 -3.774 1.00 0.26 C ATOM 788 CG TRP A 51 11.186 8.001 -2.626 1.00 0.25 C ATOM 789 CD1 TRP A 51 11.434 8.616 -1.445 1.00 0.30 C ATOM 790 CD2 TRP A 51 9.822 7.491 -2.538 1.00 0.23 C ATOM 791 NE1 TRP A 51 10.310 8.510 -0.640 1.00 0.29 N ATOM 792 CE2 TRP A 51 9.288 7.828 -1.273 1.00 0.24 C ATOM 793 CE3 TRP A 51 9.008 6.774 -3.429 1.00 0.27 C ATOM 794 CZ2 TRP A 51 7.984 7.465 -0.911 1.00 0.24 C ATOM 795 CZ3 TRP A 51 7.704 6.409 -3.070 1.00 0.29 C ATOM 796 CH2 TRP A 51 7.193 6.753 -1.813 1.00 0.27 C ATOM 0 H TRP A 51 13.322 6.706 -5.483 1.00 0.25 H new ATOM 0 HA TRP A 51 14.126 7.634 -2.888 1.00 0.24 H new ATOM 0 HB2 TRP A 51 12.487 8.875 -4.078 1.00 0.26 H new ATOM 0 HB3 TRP A 51 11.652 7.438 -4.634 1.00 0.26 H new ATOM 0 HD1 TRP A 51 12.356 9.108 -1.175 1.00 0.30 H new ATOM 0 HE1 TRP A 51 10.245 8.889 0.305 1.00 0.29 H new ATOM 0 HE3 TRP A 51 9.391 6.501 -4.401 1.00 0.27 H new ATOM 0 HZ2 TRP A 51 7.594 7.734 0.059 1.00 0.24 H new ATOM 0 HZ3 TRP A 51 7.089 5.859 -3.767 1.00 0.29 H new ATOM 0 HH2 TRP A 51 6.187 6.467 -1.542 1.00 0.27 H new ATOM 807 N TYR A 52 12.035 5.085 -2.772 1.00 0.24 N ATOM 808 CA TYR A 52 11.614 3.969 -1.874 1.00 0.24 C ATOM 809 C TYR A 52 12.808 3.065 -1.546 1.00 0.25 C ATOM 810 O TYR A 52 12.905 2.530 -0.461 1.00 0.28 O ATOM 811 CB TYR A 52 10.558 3.188 -2.660 1.00 0.29 C ATOM 812 CG TYR A 52 10.158 1.966 -1.868 1.00 0.29 C ATOM 813 CD1 TYR A 52 9.279 2.094 -0.790 1.00 0.34 C ATOM 814 CD2 TYR A 52 10.679 0.711 -2.203 1.00 0.41 C ATOM 815 CE1 TYR A 52 8.916 0.969 -0.043 1.00 0.37 C ATOM 816 CE2 TYR A 52 10.318 -0.415 -1.456 1.00 0.45 C ATOM 817 CZ TYR A 52 9.436 -0.288 -0.377 1.00 0.37 C ATOM 818 OH TYR A 52 9.080 -1.400 0.359 1.00 0.43 O ATOM 0 H TYR A 52 11.541 5.131 -3.663 1.00 0.24 H new ATOM 0 HA TYR A 52 11.224 4.340 -0.926 1.00 0.24 H new ATOM 0 HB2 TYR A 52 9.687 3.816 -2.847 1.00 0.29 H new ATOM 0 HB3 TYR A 52 10.954 2.894 -3.632 1.00 0.29 H new ATOM 0 HD1 TYR A 52 8.879 3.064 -0.533 1.00 0.34 H new ATOM 0 HD2 TYR A 52 11.358 0.612 -3.037 1.00 0.41 H new ATOM 0 HE1 TYR A 52 8.236 1.069 0.790 1.00 0.37 H new ATOM 0 HE2 TYR A 52 10.721 -1.384 -1.712 1.00 0.45 H new ATOM 0 HH TYR A 52 9.814 -1.642 0.962 1.00 0.43 H new ATOM 828 N CYS A 53 13.707 2.886 -2.476 1.00 0.27 N ATOM 829 CA CYS A 53 14.889 2.010 -2.228 1.00 0.32 C ATOM 830 C CYS A 53 15.738 2.547 -1.065 1.00 0.32 C ATOM 831 O CYS A 53 16.107 1.804 -0.177 1.00 0.38 O ATOM 832 CB CYS A 53 15.672 2.029 -3.544 1.00 0.35 C ATOM 833 SG CYS A 53 17.244 1.152 -3.337 1.00 0.50 S ATOM 0 H CYS A 53 13.673 3.311 -3.402 1.00 0.27 H new ATOM 0 HA CYS A 53 14.600 0.999 -1.942 1.00 0.32 H new ATOM 0 HB2 CYS A 53 15.085 1.560 -4.334 1.00 0.35 H new ATOM 0 HB3 CYS A 53 15.857 3.058 -3.853 1.00 0.35 H new ATOM 0 HG CYS A 53 17.902 1.170 -4.458 1.00 0.50 H new ATOM 839 N GLN A 54 16.061 3.818 -1.062 1.00 0.31 N ATOM 840 CA GLN A 54 16.905 4.367 0.052 1.00 0.35 C ATOM 841 C GLN A 54 16.084 4.632 1.335 1.00 0.32 C ATOM 842 O GLN A 54 16.567 4.405 2.431 1.00 0.36 O ATOM 843 CB GLN A 54 17.529 5.657 -0.503 1.00 0.40 C ATOM 844 CG GLN A 54 16.466 6.751 -0.681 1.00 0.37 C ATOM 845 CD GLN A 54 16.380 7.611 0.586 1.00 0.43 C ATOM 846 OE1 GLN A 54 15.302 7.965 1.019 1.00 0.49 O ATOM 847 NE2 GLN A 54 17.476 7.973 1.198 1.00 0.55 N ATOM 0 H GLN A 54 15.782 4.494 -1.773 1.00 0.31 H new ATOM 0 HA GLN A 54 17.668 3.650 0.355 1.00 0.35 H new ATOM 0 HB2 GLN A 54 18.308 6.009 0.174 1.00 0.40 H new ATOM 0 HB3 GLN A 54 18.008 5.451 -1.460 1.00 0.40 H new ATOM 0 HG2 GLN A 54 16.716 7.376 -1.538 1.00 0.37 H new ATOM 0 HG3 GLN A 54 15.497 6.297 -0.889 1.00 0.37 H new ATOM 0 HE21 GLN A 54 18.383 7.677 0.837 1.00 0.55 H new ATOM 0 HE22 GLN A 54 17.425 8.551 2.037 1.00 0.55 H new ATOM 856 N GLN A 55 14.865 5.113 1.223 1.00 0.27 N ATOM 857 CA GLN A 55 14.055 5.391 2.461 1.00 0.28 C ATOM 858 C GLN A 55 13.619 4.084 3.142 1.00 0.26 C ATOM 859 O GLN A 55 13.617 3.991 4.356 1.00 0.31 O ATOM 860 CB GLN A 55 12.832 6.220 2.020 1.00 0.28 C ATOM 861 CG GLN A 55 12.103 5.547 0.852 1.00 0.24 C ATOM 862 CD GLN A 55 10.827 4.866 1.349 1.00 0.28 C ATOM 863 OE1 GLN A 55 10.819 4.258 2.397 1.00 0.46 O ATOM 864 NE2 GLN A 55 9.742 4.940 0.631 1.00 0.33 N ATOM 0 H GLN A 55 14.399 5.324 0.340 1.00 0.27 H new ATOM 0 HA GLN A 55 14.648 5.939 3.193 1.00 0.28 H new ATOM 0 HB2 GLN A 55 12.148 6.340 2.860 1.00 0.28 H new ATOM 0 HB3 GLN A 55 13.153 7.219 1.726 1.00 0.28 H new ATOM 0 HG2 GLN A 55 11.856 6.288 0.092 1.00 0.24 H new ATOM 0 HG3 GLN A 55 12.756 4.813 0.381 1.00 0.24 H new ATOM 0 HE21 GLN A 55 9.748 5.452 -0.251 1.00 0.33 H new ATOM 0 HE22 GLN A 55 8.887 4.486 0.951 1.00 0.33 H new ATOM 873 N MET A 56 13.263 3.073 2.383 1.00 0.26 N ATOM 874 CA MET A 56 12.846 1.778 3.011 1.00 0.28 C ATOM 875 C MET A 56 14.067 1.080 3.604 1.00 0.31 C ATOM 876 O MET A 56 13.979 0.430 4.627 1.00 0.32 O ATOM 877 CB MET A 56 12.249 0.941 1.891 1.00 0.31 C ATOM 878 CG MET A 56 11.112 0.087 2.454 1.00 0.37 C ATOM 879 SD MET A 56 11.591 -1.660 2.421 1.00 0.71 S ATOM 880 CE MET A 56 10.726 -2.164 3.928 1.00 1.41 C ATOM 0 H MET A 56 13.243 3.088 1.363 1.00 0.26 H new ATOM 0 HA MET A 56 12.127 1.929 3.816 1.00 0.28 H new ATOM 0 HB2 MET A 56 11.876 1.588 1.097 1.00 0.31 H new ATOM 0 HB3 MET A 56 13.015 0.303 1.449 1.00 0.31 H new ATOM 0 HG2 MET A 56 10.885 0.393 3.475 1.00 0.37 H new ATOM 0 HG3 MET A 56 10.206 0.237 1.867 1.00 0.37 H new ATOM 0 HE1 MET A 56 11.341 -2.875 4.480 1.00 1.41 H new ATOM 0 HE2 MET A 56 10.538 -1.289 4.549 1.00 1.41 H new ATOM 0 HE3 MET A 56 9.778 -2.632 3.664 1.00 1.41 H new ATOM 890 N MET A 57 15.213 1.234 2.981 1.00 0.36 N ATOM 891 CA MET A 57 16.458 0.609 3.524 1.00 0.41 C ATOM 892 C MET A 57 16.687 1.113 4.947 1.00 0.40 C ATOM 893 O MET A 57 17.199 0.409 5.796 1.00 0.44 O ATOM 894 CB MET A 57 17.584 1.096 2.613 1.00 0.47 C ATOM 895 CG MET A 57 17.779 0.103 1.471 1.00 0.50 C ATOM 896 SD MET A 57 19.026 -1.120 1.946 1.00 0.75 S ATOM 897 CE MET A 57 18.957 -2.121 0.440 1.00 1.72 C ATOM 0 H MET A 57 15.337 1.766 2.120 1.00 0.36 H new ATOM 0 HA MET A 57 16.403 -0.479 3.552 1.00 0.41 H new ATOM 0 HB2 MET A 57 17.344 2.082 2.215 1.00 0.47 H new ATOM 0 HB3 MET A 57 18.508 1.199 3.182 1.00 0.47 H new ATOM 0 HG2 MET A 57 16.836 -0.393 1.240 1.00 0.50 H new ATOM 0 HG3 MET A 57 18.093 0.627 0.568 1.00 0.50 H new ATOM 0 HE1 MET A 57 19.662 -2.948 0.520 1.00 1.72 H new ATOM 0 HE2 MET A 57 17.949 -2.515 0.311 1.00 1.72 H new ATOM 0 HE3 MET A 57 19.219 -1.504 -0.419 1.00 1.72 H new ATOM 907 N GLN A 58 16.294 2.335 5.204 1.00 0.37 N ATOM 908 CA GLN A 58 16.462 2.916 6.570 1.00 0.40 C ATOM 909 C GLN A 58 15.219 2.639 7.432 1.00 0.35 C ATOM 910 O GLN A 58 15.264 2.748 8.643 1.00 0.41 O ATOM 911 CB GLN A 58 16.636 4.419 6.342 1.00 0.44 C ATOM 912 CG GLN A 58 18.126 4.774 6.366 1.00 0.60 C ATOM 913 CD GLN A 58 18.623 5.003 4.935 1.00 0.82 C ATOM 914 OE1 GLN A 58 18.519 6.095 4.414 1.00 1.06 O ATOM 915 NE2 GLN A 58 19.162 4.015 4.273 1.00 1.07 N ATOM 0 H GLN A 58 15.862 2.958 4.522 1.00 0.37 H new ATOM 0 HA GLN A 58 17.310 2.482 7.099 1.00 0.40 H new ATOM 0 HB2 GLN A 58 16.199 4.705 5.385 1.00 0.44 H new ATOM 0 HB3 GLN A 58 16.106 4.978 7.114 1.00 0.44 H new ATOM 0 HG2 GLN A 58 18.287 5.670 6.965 1.00 0.60 H new ATOM 0 HG3 GLN A 58 18.694 3.971 6.835 1.00 0.60 H new ATOM 0 HE21 GLN A 58 19.250 3.097 4.709 1.00 1.07 H new ATOM 0 HE22 GLN A 58 19.495 4.161 3.320 1.00 1.07 H new ATOM 924 N ALA A 59 14.111 2.280 6.821 1.00 0.30 N ATOM 925 CA ALA A 59 12.871 1.995 7.606 1.00 0.28 C ATOM 926 C ALA A 59 12.842 0.519 8.014 1.00 0.31 C ATOM 927 O ALA A 59 12.832 0.199 9.188 1.00 0.35 O ATOM 928 CB ALA A 59 11.723 2.305 6.641 1.00 0.29 C ATOM 0 H ALA A 59 14.016 2.173 5.811 1.00 0.30 H new ATOM 0 HA ALA A 59 12.808 2.583 8.522 1.00 0.28 H new ATOM 0 HB1 ALA A 59 10.770 2.122 7.138 1.00 0.29 H new ATOM 0 HB2 ALA A 59 11.777 3.350 6.334 1.00 0.29 H new ATOM 0 HB3 ALA A 59 11.803 1.664 5.763 1.00 0.29 H new ATOM 934 N ARG A 60 12.863 -0.373 7.042 1.00 0.36 N ATOM 935 CA ARG A 60 12.866 -1.850 7.321 1.00 0.45 C ATOM 936 C ARG A 60 11.635 -2.290 8.144 1.00 0.47 C ATOM 937 O ARG A 60 11.133 -1.567 8.983 1.00 0.49 O ATOM 938 CB ARG A 60 14.182 -2.091 8.083 1.00 0.49 C ATOM 939 CG ARG A 60 14.003 -3.186 9.139 1.00 0.61 C ATOM 940 CD ARG A 60 15.313 -3.377 9.906 1.00 0.57 C ATOM 941 NE ARG A 60 15.189 -2.502 11.105 1.00 0.79 N ATOM 942 CZ ARG A 60 14.841 -3.013 12.254 1.00 1.18 C ATOM 943 NH1 ARG A 60 15.750 -3.522 13.041 1.00 1.50 N ATOM 944 NH2 ARG A 60 13.586 -3.014 12.614 1.00 1.69 N ATOM 0 H ARG A 60 12.878 -0.133 6.051 1.00 0.36 H new ATOM 0 HA ARG A 60 12.805 -2.438 6.406 1.00 0.45 H new ATOM 0 HB2 ARG A 60 14.966 -2.379 7.383 1.00 0.49 H new ATOM 0 HB3 ARG A 60 14.506 -1.167 8.562 1.00 0.49 H new ATOM 0 HG2 ARG A 60 13.203 -2.914 9.827 1.00 0.61 H new ATOM 0 HG3 ARG A 60 13.709 -4.121 8.662 1.00 0.61 H new ATOM 0 HD2 ARG A 60 15.455 -4.419 10.191 1.00 0.57 H new ATOM 0 HD3 ARG A 60 16.172 -3.093 9.297 1.00 0.57 H new ATOM 0 HE ARG A 60 15.376 -1.502 11.028 1.00 0.79 H new ATOM 0 HH11 ARG A 60 16.730 -3.520 12.757 1.00 1.50 H new ATOM 0 HH12 ARG A 60 15.480 -3.922 13.940 1.00 1.50 H new ATOM 0 HH21 ARG A 60 12.878 -2.615 11.997 1.00 1.69 H new ATOM 0 HH22 ARG A 60 13.313 -3.413 13.512 1.00 1.69 H new ATOM 958 N GLU A 61 11.161 -3.496 7.909 1.00 0.52 N ATOM 959 CA GLU A 61 9.980 -4.032 8.671 1.00 0.59 C ATOM 960 C GLU A 61 8.795 -3.057 8.649 1.00 0.53 C ATOM 961 O GLU A 61 8.155 -2.830 9.661 1.00 0.60 O ATOM 962 CB GLU A 61 10.491 -4.207 10.104 1.00 0.67 C ATOM 963 CG GLU A 61 10.747 -5.690 10.385 1.00 0.88 C ATOM 964 CD GLU A 61 12.254 -5.946 10.452 1.00 0.85 C ATOM 965 OE1 GLU A 61 12.812 -5.805 11.527 1.00 1.20 O ATOM 966 OE2 GLU A 61 12.825 -6.279 9.426 1.00 1.10 O ATOM 0 H GLU A 61 11.546 -4.137 7.215 1.00 0.52 H new ATOM 0 HA GLU A 61 9.613 -4.960 8.232 1.00 0.59 H new ATOM 0 HB2 GLU A 61 11.409 -3.637 10.245 1.00 0.67 H new ATOM 0 HB3 GLU A 61 9.760 -3.814 10.811 1.00 0.67 H new ATOM 0 HG2 GLU A 61 10.277 -5.979 11.325 1.00 0.88 H new ATOM 0 HG3 GLU A 61 10.298 -6.302 9.602 1.00 0.88 H new ATOM 973 N LEU A 62 8.490 -2.478 7.516 1.00 0.47 N ATOM 974 CA LEU A 62 7.344 -1.523 7.460 1.00 0.44 C ATOM 975 C LEU A 62 6.992 -1.185 6.007 1.00 0.40 C ATOM 976 O LEU A 62 7.826 -0.723 5.249 1.00 0.39 O ATOM 977 CB LEU A 62 7.833 -0.280 8.212 1.00 0.45 C ATOM 978 CG LEU A 62 6.655 0.388 8.931 1.00 0.53 C ATOM 979 CD1 LEU A 62 7.186 1.377 9.971 1.00 0.81 C ATOM 980 CD2 LEU A 62 5.783 1.137 7.917 1.00 0.60 C ATOM 0 H LEU A 62 8.981 -2.624 6.634 1.00 0.47 H new ATOM 0 HA LEU A 62 6.438 -1.937 7.904 1.00 0.44 H new ATOM 0 HB2 LEU A 62 8.601 -0.559 8.934 1.00 0.45 H new ATOM 0 HB3 LEU A 62 8.291 0.422 7.515 1.00 0.45 H new ATOM 0 HG LEU A 62 6.057 -0.378 9.425 1.00 0.53 H new ATOM 0 HD11 LEU A 62 6.349 1.852 10.482 1.00 0.81 H new ATOM 0 HD12 LEU A 62 7.801 0.846 10.698 1.00 0.81 H new ATOM 0 HD13 LEU A 62 7.787 2.139 9.475 1.00 0.81 H new ATOM 0 HD21 LEU A 62 4.948 1.609 8.434 1.00 0.60 H new ATOM 0 HD22 LEU A 62 6.380 1.901 7.418 1.00 0.60 H new ATOM 0 HD23 LEU A 62 5.401 0.434 7.177 1.00 0.60 H new ATOM 992 N GLU A 63 5.755 -1.416 5.622 1.00 0.43 N ATOM 993 CA GLU A 63 5.306 -1.118 4.222 1.00 0.43 C ATOM 994 C GLU A 63 6.268 -1.741 3.198 1.00 0.41 C ATOM 995 O GLU A 63 6.865 -1.053 2.390 1.00 0.55 O ATOM 996 CB GLU A 63 5.298 0.411 4.113 1.00 0.45 C ATOM 997 CG GLU A 63 4.058 0.970 4.817 1.00 0.51 C ATOM 998 CD GLU A 63 2.904 1.080 3.817 1.00 0.55 C ATOM 999 OE1 GLU A 63 2.181 0.108 3.665 1.00 0.66 O ATOM 1000 OE2 GLU A 63 2.763 2.135 3.219 1.00 0.70 O ATOM 0 H GLU A 63 5.030 -1.803 6.227 1.00 0.43 H new ATOM 0 HA GLU A 63 4.322 -1.539 4.013 1.00 0.43 H new ATOM 0 HB2 GLU A 63 6.201 0.822 4.564 1.00 0.45 H new ATOM 0 HB3 GLU A 63 5.300 0.711 3.065 1.00 0.45 H new ATOM 0 HG2 GLU A 63 3.774 0.321 5.645 1.00 0.51 H new ATOM 0 HG3 GLU A 63 4.279 1.949 5.241 1.00 0.51 H new ATOM 1007 N LEU A 64 6.417 -3.042 3.232 1.00 0.42 N ATOM 1008 CA LEU A 64 7.334 -3.724 2.269 1.00 0.47 C ATOM 1009 C LEU A 64 6.526 -4.459 1.193 1.00 0.50 C ATOM 1010 O LEU A 64 6.755 -4.284 0.012 1.00 0.59 O ATOM 1011 CB LEU A 64 8.135 -4.714 3.120 1.00 0.53 C ATOM 1012 CG LEU A 64 9.281 -5.301 2.290 1.00 0.63 C ATOM 1013 CD1 LEU A 64 10.472 -5.606 3.201 1.00 0.73 C ATOM 1014 CD2 LEU A 64 8.813 -6.592 1.612 1.00 0.78 C ATOM 0 H LEU A 64 5.941 -3.662 3.887 1.00 0.42 H new ATOM 0 HA LEU A 64 7.982 -3.021 1.746 1.00 0.47 H new ATOM 0 HB2 LEU A 64 8.532 -4.212 4.002 1.00 0.53 H new ATOM 0 HB3 LEU A 64 7.484 -5.513 3.475 1.00 0.53 H new ATOM 0 HG LEU A 64 9.582 -4.580 1.530 1.00 0.63 H new ATOM 0 HD11 LEU A 64 11.286 -6.023 2.608 1.00 0.73 H new ATOM 0 HD12 LEU A 64 10.807 -4.687 3.681 1.00 0.73 H new ATOM 0 HD13 LEU A 64 10.172 -6.325 3.963 1.00 0.73 H new ATOM 0 HD21 LEU A 64 9.629 -7.009 1.022 1.00 0.78 H new ATOM 0 HD22 LEU A 64 8.509 -7.312 2.372 1.00 0.78 H new ATOM 0 HD23 LEU A 64 7.967 -6.374 0.960 1.00 0.78 H new ATOM 1026 N GLU A 65 5.590 -5.283 1.596 1.00 0.51 N ATOM 1027 CA GLU A 65 4.769 -6.039 0.602 1.00 0.60 C ATOM 1028 C GLU A 65 3.290 -5.645 0.701 1.00 0.53 C ATOM 1029 O GLU A 65 2.636 -5.416 -0.299 1.00 0.57 O ATOM 1030 CB GLU A 65 4.967 -7.507 0.980 1.00 0.74 C ATOM 1031 CG GLU A 65 4.590 -8.402 -0.205 1.00 0.85 C ATOM 1032 CD GLU A 65 3.160 -8.921 -0.024 1.00 0.87 C ATOM 1033 OE1 GLU A 65 2.962 -9.760 0.841 1.00 1.14 O ATOM 1034 OE2 GLU A 65 2.290 -8.474 -0.752 1.00 0.85 O ATOM 0 H GLU A 65 5.359 -5.464 2.573 1.00 0.51 H new ATOM 0 HA GLU A 65 5.069 -5.831 -0.425 1.00 0.60 H new ATOM 0 HB2 GLU A 65 6.004 -7.682 1.265 1.00 0.74 H new ATOM 0 HB3 GLU A 65 4.353 -7.756 1.845 1.00 0.74 H new ATOM 0 HG2 GLU A 65 4.669 -7.841 -1.136 1.00 0.85 H new ATOM 0 HG3 GLU A 65 5.285 -9.239 -0.277 1.00 0.85 H new ATOM 1041 N HIS A 66 2.758 -5.564 1.897 1.00 0.52 N ATOM 1042 CA HIS A 66 1.320 -5.184 2.056 1.00 0.54 C ATOM 1043 C HIS A 66 1.173 -3.656 2.096 1.00 0.57 C ATOM 1044 O HIS A 66 0.572 -3.118 1.182 1.00 0.67 O ATOM 1045 CB HIS A 66 0.882 -5.812 3.384 1.00 0.61 C ATOM 1046 CG HIS A 66 0.343 -7.194 3.130 1.00 0.77 C ATOM 1047 ND1 HIS A 66 1.170 -8.266 2.838 1.00 0.91 N ATOM 1048 CD2 HIS A 66 -0.936 -7.692 3.121 1.00 1.02 C ATOM 1049 CE1 HIS A 66 0.387 -9.347 2.666 1.00 1.08 C ATOM 1050 NE2 HIS A 66 -0.906 -9.053 2.827 1.00 1.14 N ATOM 1051 OXT HIS A 66 1.668 -3.051 3.035 1.00 0.63 O ATOM 0 H HIS A 66 3.257 -5.744 2.768 1.00 0.52 H new ATOM 0 HA HIS A 66 0.707 -5.534 1.225 1.00 0.54 H new ATOM 0 HB2 HIS A 66 1.726 -5.860 4.072 1.00 0.61 H new ATOM 0 HB3 HIS A 66 0.119 -5.194 3.857 1.00 0.61 H new ATOM 0 HD2 HIS A 66 -1.829 -7.116 3.313 1.00 1.02 H new ATOM 0 HE1 HIS A 66 0.759 -10.332 2.427 1.00 1.08 H new ATOM 0 HE2 HIS A 66 -1.700 -9.688 2.751 1.00 1.14 H new TER 1059 HIS A 66