USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 TYR OH : rot 180:sc= 0.858 USER MOD Set 1.2: A 66 HIS : no HE2:sc= -0.451 K(o=0.41,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0416 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot -95:sc= 0.122 USER MOD Single : A 6 ASN : amide:sc= 0.0128 X(o=0.013,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.49) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 36 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.6!) USER MOD Single : A 37 MET CE :methyl 158:sc= -0.0449 (180deg=-0.357) USER MOD Single : A 41 HIS : no HD1:sc= -7.14! C(o=-7.1!,f=-13!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.95 K(o=-2,f=-3.5!) USER MOD Single : A 55 GLN : amide:sc= -4.41! C(o=-4.4!,f=-14!) USER MOD Single : A 56 MET CE :methyl -166:sc= -0.185 (180deg=-0.744) 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 -13.347 -12.045 2.163 1.00 3.19 N ATOM 2 CA MET A 1 -12.552 -10.830 1.791 1.00 2.88 C ATOM 3 C MET A 1 -11.907 -11.010 0.409 1.00 2.62 C ATOM 4 O MET A 1 -11.608 -12.114 -0.009 1.00 2.85 O ATOM 5 CB MET A 1 -11.479 -10.689 2.879 1.00 3.19 C ATOM 6 CG MET A 1 -11.997 -9.767 3.988 1.00 3.50 C ATOM 7 SD MET A 1 -10.837 -8.396 4.228 1.00 4.13 S ATOM 8 CE MET A 1 -12.017 -7.219 4.936 1.00 4.68 C ATOM 0 H1 MET A 1 -13.222 -12.245 3.176 1.00 3.19 H new ATOM 0 H2 MET A 1 -14.354 -11.875 1.966 1.00 3.19 H new ATOM 0 H3 MET A 1 -13.018 -12.859 1.606 1.00 3.19 H new ATOM 0 HA MET A 1 -13.179 -9.940 1.730 1.00 2.88 H new ATOM 0 HB2 MET A 1 -11.232 -11.668 3.290 1.00 3.19 H new ATOM 0 HB3 MET A 1 -10.563 -10.282 2.451 1.00 3.19 H new ATOM 0 HG2 MET A 1 -12.982 -9.382 3.724 1.00 3.50 H new ATOM 0 HG3 MET A 1 -12.112 -10.327 4.916 1.00 3.50 H new ATOM 0 HE1 MET A 1 -11.506 -6.284 5.164 1.00 4.68 H new ATOM 0 HE2 MET A 1 -12.817 -7.030 4.220 1.00 4.68 H new ATOM 0 HE3 MET A 1 -12.440 -7.634 5.851 1.00 4.68 H new ATOM 17 N ASP A 2 -11.698 -9.927 -0.302 1.00 2.37 N ATOM 18 CA ASP A 2 -11.081 -10.015 -1.661 1.00 2.31 C ATOM 19 C ASP A 2 -9.805 -9.166 -1.726 1.00 2.12 C ATOM 20 O ASP A 2 -9.704 -8.131 -1.091 1.00 2.14 O ATOM 21 CB ASP A 2 -12.145 -9.458 -2.613 1.00 2.31 C ATOM 22 CG ASP A 2 -12.292 -10.379 -3.827 1.00 2.81 C ATOM 23 OD1 ASP A 2 -13.060 -11.323 -3.739 1.00 3.17 O ATOM 24 OD2 ASP A 2 -11.638 -10.121 -4.825 1.00 2.99 O ATOM 0 H ASP A 2 -11.930 -8.982 0.004 1.00 2.37 H new ATOM 0 HA ASP A 2 -10.793 -11.035 -1.917 1.00 2.31 H new ATOM 0 HB2 ASP A 2 -13.100 -9.371 -2.094 1.00 2.31 H new ATOM 0 HB3 ASP A 2 -11.866 -8.456 -2.938 1.00 2.31 H new ATOM 29 N HIS A 3 -8.835 -9.595 -2.496 1.00 2.07 N ATOM 30 CA HIS A 3 -7.561 -8.819 -2.615 1.00 1.97 C ATOM 31 C HIS A 3 -7.802 -7.497 -3.360 1.00 1.77 C ATOM 32 O HIS A 3 -7.122 -6.516 -3.129 1.00 1.67 O ATOM 33 CB HIS A 3 -6.622 -9.719 -3.422 1.00 1.87 C ATOM 34 CG HIS A 3 -5.633 -10.381 -2.500 1.00 2.10 C ATOM 35 ND1 HIS A 3 -4.412 -9.804 -2.193 1.00 2.39 N ATOM 36 CD2 HIS A 3 -5.661 -11.579 -1.825 1.00 2.77 C ATOM 37 CE1 HIS A 3 -3.758 -10.645 -1.372 1.00 2.84 C ATOM 38 NE2 HIS A 3 -4.475 -11.743 -1.116 1.00 3.14 N ATOM 0 H HIS A 3 -8.871 -10.452 -3.049 1.00 2.07 H new ATOM 0 HA HIS A 3 -7.148 -8.562 -1.640 1.00 1.97 H new ATOM 0 HB2 HIS A 3 -7.198 -10.475 -3.956 1.00 1.87 H new ATOM 0 HB3 HIS A 3 -6.095 -9.130 -4.173 1.00 1.87 H new ATOM 0 HD2 HIS A 3 -6.478 -12.285 -1.843 1.00 2.77 H new ATOM 0 HE1 HIS A 3 -2.774 -10.456 -0.969 1.00 2.84 H new ATOM 0 HE2 HIS A 3 -4.210 -12.532 -0.527 1.00 3.14 H new ATOM 46 N SER A 4 -8.765 -7.471 -4.252 1.00 1.82 N ATOM 47 CA SER A 4 -9.058 -6.220 -5.020 1.00 1.68 C ATOM 48 C SER A 4 -9.495 -5.091 -4.074 1.00 1.47 C ATOM 49 O SER A 4 -9.141 -3.945 -4.271 1.00 1.35 O ATOM 50 CB SER A 4 -10.189 -6.593 -5.985 1.00 1.89 C ATOM 51 OG SER A 4 -11.340 -6.989 -5.247 1.00 2.03 O ATOM 0 H SER A 4 -9.362 -8.266 -4.481 1.00 1.82 H new ATOM 0 HA SER A 4 -8.179 -5.854 -5.551 1.00 1.68 H new ATOM 0 HB2 SER A 4 -10.430 -5.743 -6.624 1.00 1.89 H new ATOM 0 HB3 SER A 4 -9.869 -7.403 -6.640 1.00 1.89 H new ATOM 0 HG SER A 4 -11.347 -7.964 -5.151 1.00 2.03 H new ATOM 57 N LEU A 5 -10.258 -5.404 -3.052 1.00 1.53 N ATOM 58 CA LEU A 5 -10.715 -4.344 -2.096 1.00 1.44 C ATOM 59 C LEU A 5 -9.555 -3.876 -1.208 1.00 1.20 C ATOM 60 O LEU A 5 -9.402 -2.697 -0.956 1.00 1.09 O ATOM 61 CB LEU A 5 -11.814 -5.002 -1.248 1.00 1.79 C ATOM 62 CG LEU A 5 -13.198 -4.620 -1.791 1.00 2.06 C ATOM 63 CD1 LEU A 5 -13.385 -3.101 -1.717 1.00 2.03 C ATOM 64 CD2 LEU A 5 -13.328 -5.082 -3.248 1.00 2.13 C ATOM 0 H LEU A 5 -10.584 -6.347 -2.839 1.00 1.53 H new ATOM 0 HA LEU A 5 -11.082 -3.462 -2.620 1.00 1.44 H new ATOM 0 HB2 LEU A 5 -11.695 -6.085 -1.262 1.00 1.79 H new ATOM 0 HB3 LEU A 5 -11.722 -4.685 -0.209 1.00 1.79 H new ATOM 0 HG LEU A 5 -13.964 -5.107 -1.187 1.00 2.06 H new ATOM 0 HD11 LEU A 5 -14.369 -2.836 -2.104 1.00 2.03 H new ATOM 0 HD12 LEU A 5 -13.303 -2.774 -0.680 1.00 2.03 H new ATOM 0 HD13 LEU A 5 -12.616 -2.610 -2.314 1.00 2.03 H new ATOM 0 HD21 LEU A 5 -14.312 -4.809 -3.630 1.00 2.13 H new ATOM 0 HD22 LEU A 5 -12.558 -4.602 -3.852 1.00 2.13 H new ATOM 0 HD23 LEU A 5 -13.207 -6.164 -3.299 1.00 2.13 H new ATOM 76 N ASN A 6 -8.738 -4.788 -0.731 1.00 1.24 N ATOM 77 CA ASN A 6 -7.586 -4.387 0.141 1.00 1.16 C ATOM 78 C ASN A 6 -6.607 -3.502 -0.640 1.00 0.99 C ATOM 79 O ASN A 6 -6.159 -2.483 -0.148 1.00 0.97 O ATOM 80 CB ASN A 6 -6.910 -5.696 0.557 1.00 1.43 C ATOM 81 CG ASN A 6 -7.419 -6.118 1.937 1.00 1.47 C ATOM 82 OD1 ASN A 6 -6.991 -5.587 2.944 1.00 1.40 O ATOM 83 ND2 ASN A 6 -8.318 -7.058 2.029 1.00 2.19 N ATOM 0 H ASN A 6 -8.819 -5.789 -0.907 1.00 1.24 H new ATOM 0 HA ASN A 6 -7.915 -3.811 1.006 1.00 1.16 H new ATOM 0 HB2 ASN A 6 -7.122 -6.476 -0.175 1.00 1.43 H new ATOM 0 HB3 ASN A 6 -5.828 -5.567 0.581 1.00 1.43 H new ATOM 0 HD21 ASN A 6 -8.662 -7.347 2.945 1.00 2.19 H new ATOM 0 HD22 ASN A 6 -8.678 -7.504 1.185 1.00 2.19 H new ATOM 90 N SER A 7 -6.280 -3.876 -1.854 1.00 0.95 N ATOM 91 CA SER A 7 -5.336 -3.047 -2.669 1.00 0.85 C ATOM 92 C SER A 7 -5.976 -1.691 -3.001 1.00 0.69 C ATOM 93 O SER A 7 -5.314 -0.673 -2.995 1.00 0.70 O ATOM 94 CB SER A 7 -5.082 -3.849 -3.948 1.00 0.93 C ATOM 95 OG SER A 7 -3.753 -3.614 -4.393 1.00 1.25 O ATOM 0 H SER A 7 -6.625 -4.718 -2.315 1.00 0.95 H new ATOM 0 HA SER A 7 -4.408 -2.842 -2.135 1.00 0.85 H new ATOM 0 HB2 SER A 7 -5.232 -4.912 -3.760 1.00 0.93 H new ATOM 0 HB3 SER A 7 -5.793 -3.558 -4.721 1.00 0.93 H new ATOM 0 HG SER A 7 -3.586 -4.127 -5.211 1.00 1.25 H new ATOM 101 N LEU A 8 -7.261 -1.672 -3.284 1.00 0.66 N ATOM 102 CA LEU A 8 -7.947 -0.380 -3.611 1.00 0.61 C ATOM 103 C LEU A 8 -7.985 0.527 -2.374 1.00 0.53 C ATOM 104 O LEU A 8 -7.651 1.696 -2.445 1.00 0.55 O ATOM 105 CB LEU A 8 -9.369 -0.766 -4.034 1.00 0.78 C ATOM 106 CG LEU A 8 -9.712 -0.097 -5.368 1.00 1.32 C ATOM 107 CD1 LEU A 8 -10.114 -1.166 -6.390 1.00 1.56 C ATOM 108 CD2 LEU A 8 -10.871 0.884 -5.164 1.00 1.84 C ATOM 0 H LEU A 8 -7.862 -2.496 -3.302 1.00 0.66 H new ATOM 0 HA LEU A 8 -7.428 0.169 -4.397 1.00 0.61 H new ATOM 0 HB2 LEU A 8 -9.449 -1.849 -4.128 1.00 0.78 H new ATOM 0 HB3 LEU A 8 -10.082 -0.459 -3.269 1.00 0.78 H new ATOM 0 HG LEU A 8 -8.841 0.444 -5.738 1.00 1.32 H new ATOM 0 HD11 LEU A 8 -10.358 -0.689 -7.339 1.00 1.56 H new ATOM 0 HD12 LEU A 8 -9.286 -1.860 -6.535 1.00 1.56 H new ATOM 0 HD13 LEU A 8 -10.984 -1.711 -6.024 1.00 1.56 H new ATOM 0 HD21 LEU A 8 -11.116 1.361 -6.113 1.00 1.84 H new ATOM 0 HD22 LEU A 8 -11.743 0.345 -4.793 1.00 1.84 H new ATOM 0 HD23 LEU A 8 -10.580 1.645 -4.440 1.00 1.84 H new ATOM 120 N ASN A 9 -8.389 -0.006 -1.244 1.00 0.53 N ATOM 121 CA ASN A 9 -8.450 0.818 0.005 1.00 0.52 C ATOM 122 C ASN A 9 -7.057 1.350 0.360 1.00 0.45 C ATOM 123 O ASN A 9 -6.898 2.508 0.698 1.00 0.50 O ATOM 124 CB ASN A 9 -8.959 -0.131 1.096 1.00 0.61 C ATOM 125 CG ASN A 9 -9.601 0.684 2.221 1.00 1.08 C ATOM 126 OD1 ASN A 9 -8.919 1.153 3.112 1.00 1.58 O ATOM 127 ND2 ASN A 9 -10.892 0.873 2.220 1.00 1.48 N ATOM 0 H ASN A 9 -8.679 -0.978 -1.134 1.00 0.53 H new ATOM 0 HA ASN A 9 -9.101 1.685 -0.110 1.00 0.52 H new ATOM 0 HB2 ASN A 9 -9.685 -0.828 0.677 1.00 0.61 H new ATOM 0 HB3 ASN A 9 -8.135 -0.727 1.488 1.00 0.61 H new ATOM 0 HD21 ASN A 9 -11.329 1.414 2.966 1.00 1.48 H new ATOM 0 HD22 ASN A 9 -11.464 0.480 1.473 1.00 1.48 H new ATOM 134 N ASN A 10 -6.048 0.514 0.279 1.00 0.45 N ATOM 135 CA ASN A 10 -4.663 0.974 0.603 1.00 0.47 C ATOM 136 C ASN A 10 -4.188 1.996 -0.436 1.00 0.44 C ATOM 137 O ASN A 10 -3.633 3.018 -0.094 1.00 0.50 O ATOM 138 CB ASN A 10 -3.791 -0.287 0.552 1.00 0.59 C ATOM 139 CG ASN A 10 -2.342 0.076 0.900 1.00 0.68 C ATOM 140 OD1 ASN A 10 -1.950 0.022 2.049 1.00 0.83 O ATOM 141 ND2 ASN A 10 -1.527 0.447 -0.051 1.00 0.71 N ATOM 0 H ASN A 10 -6.126 -0.465 0.003 1.00 0.45 H new ATOM 0 HA ASN A 10 -4.612 1.460 1.577 1.00 0.47 H new ATOM 0 HB2 ASN A 10 -4.169 -1.031 1.253 1.00 0.59 H new ATOM 0 HB3 ASN A 10 -3.836 -0.733 -0.442 1.00 0.59 H new ATOM 0 HD21 ASN A 10 -0.562 0.691 0.171 1.00 0.71 H new ATOM 0 HD22 ASN A 10 -1.856 0.492 -1.016 1.00 0.71 H new ATOM 148 N PHE A 11 -4.402 1.721 -1.701 1.00 0.42 N ATOM 149 CA PHE A 11 -3.958 2.672 -2.770 1.00 0.43 C ATOM 150 C PHE A 11 -4.559 4.068 -2.557 1.00 0.40 C ATOM 151 O PHE A 11 -3.907 5.061 -2.795 1.00 0.44 O ATOM 152 CB PHE A 11 -4.470 2.073 -4.085 1.00 0.45 C ATOM 153 CG PHE A 11 -3.649 2.604 -5.238 1.00 0.45 C ATOM 154 CD1 PHE A 11 -3.747 3.951 -5.611 1.00 0.54 C ATOM 155 CD2 PHE A 11 -2.787 1.749 -5.932 1.00 0.58 C ATOM 156 CE1 PHE A 11 -2.983 4.440 -6.676 1.00 0.63 C ATOM 157 CE2 PHE A 11 -2.024 2.238 -6.998 1.00 0.64 C ATOM 158 CZ PHE A 11 -2.121 3.584 -7.370 1.00 0.62 C ATOM 0 H PHE A 11 -4.866 0.878 -2.040 1.00 0.42 H new ATOM 0 HA PHE A 11 -2.875 2.795 -2.764 1.00 0.43 H new ATOM 0 HB2 PHE A 11 -4.406 0.985 -4.050 1.00 0.45 H new ATOM 0 HB3 PHE A 11 -5.521 2.326 -4.227 1.00 0.45 H new ATOM 0 HD1 PHE A 11 -4.413 4.612 -5.076 1.00 0.54 H new ATOM 0 HD2 PHE A 11 -2.710 0.711 -5.645 1.00 0.58 H new ATOM 0 HE1 PHE A 11 -3.059 5.479 -6.963 1.00 0.63 H new ATOM 0 HE2 PHE A 11 -1.360 1.576 -7.534 1.00 0.64 H new ATOM 0 HZ PHE A 11 -1.531 3.961 -8.192 1.00 0.62 H new ATOM 168 N ASP A 12 -5.795 4.151 -2.122 1.00 0.39 N ATOM 169 CA ASP A 12 -6.433 5.492 -1.911 1.00 0.40 C ATOM 170 C ASP A 12 -5.770 6.248 -0.747 1.00 0.37 C ATOM 171 O ASP A 12 -5.214 7.319 -0.931 1.00 0.36 O ATOM 172 CB ASP A 12 -7.901 5.191 -1.592 1.00 0.47 C ATOM 173 CG ASP A 12 -8.731 6.468 -1.745 1.00 0.70 C ATOM 174 OD1 ASP A 12 -9.156 6.747 -2.854 1.00 1.00 O ATOM 175 OD2 ASP A 12 -8.928 7.146 -0.749 1.00 0.99 O ATOM 0 H ASP A 12 -6.389 3.351 -1.904 1.00 0.39 H new ATOM 0 HA ASP A 12 -6.325 6.130 -2.788 1.00 0.40 H new ATOM 0 HB2 ASP A 12 -8.278 4.418 -2.261 1.00 0.47 H new ATOM 0 HB3 ASP A 12 -7.992 4.806 -0.576 1.00 0.47 H new ATOM 180 N PHE A 13 -5.834 5.706 0.448 1.00 0.38 N ATOM 181 CA PHE A 13 -5.220 6.399 1.626 1.00 0.38 C ATOM 182 C PHE A 13 -3.707 6.577 1.424 1.00 0.33 C ATOM 183 O PHE A 13 -3.142 7.587 1.803 1.00 0.34 O ATOM 184 CB PHE A 13 -5.563 5.509 2.842 1.00 0.45 C ATOM 185 CG PHE A 13 -4.328 4.875 3.457 1.00 0.40 C ATOM 186 CD1 PHE A 13 -3.500 5.624 4.304 1.00 0.43 C ATOM 187 CD2 PHE A 13 -4.029 3.530 3.199 1.00 0.41 C ATOM 188 CE1 PHE A 13 -2.375 5.031 4.887 1.00 0.44 C ATOM 189 CE2 PHE A 13 -2.907 2.937 3.787 1.00 0.43 C ATOM 190 CZ PHE A 13 -2.081 3.687 4.631 1.00 0.43 C ATOM 0 H PHE A 13 -6.284 4.815 0.657 1.00 0.38 H new ATOM 0 HA PHE A 13 -5.606 7.408 1.769 1.00 0.38 H new ATOM 0 HB2 PHE A 13 -6.075 6.108 3.595 1.00 0.45 H new ATOM 0 HB3 PHE A 13 -6.255 4.726 2.533 1.00 0.45 H new ATOM 0 HD1 PHE A 13 -3.730 6.659 4.507 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -4.665 2.951 2.546 1.00 0.41 H new ATOM 0 HE1 PHE A 13 -1.734 5.610 5.535 1.00 0.44 H new ATOM 0 HE2 PHE A 13 -2.678 1.900 3.589 1.00 0.43 H new ATOM 0 HZ PHE A 13 -1.215 3.228 5.086 1.00 0.43 H new ATOM 200 N LEU A 14 -3.047 5.621 0.819 1.00 0.31 N ATOM 201 CA LEU A 14 -1.580 5.773 0.595 1.00 0.28 C ATOM 202 C LEU A 14 -1.313 6.676 -0.612 1.00 0.26 C ATOM 203 O LEU A 14 -0.278 7.287 -0.694 1.00 0.28 O ATOM 204 CB LEU A 14 -1.035 4.364 0.334 1.00 0.29 C ATOM 205 CG LEU A 14 0.278 4.136 1.109 1.00 0.31 C ATOM 206 CD1 LEU A 14 1.037 5.452 1.316 1.00 0.36 C ATOM 207 CD2 LEU A 14 -0.053 3.526 2.471 1.00 0.44 C ATOM 0 H LEU A 14 -3.456 4.752 0.475 1.00 0.31 H new ATOM 0 HA LEU A 14 -1.096 6.233 1.457 1.00 0.28 H new ATOM 0 HB2 LEU A 14 -1.774 3.621 0.634 1.00 0.29 H new ATOM 0 HB3 LEU A 14 -0.862 4.228 -0.733 1.00 0.29 H new ATOM 0 HG LEU A 14 0.912 3.464 0.530 1.00 0.31 H new ATOM 0 HD11 LEU A 14 1.958 5.258 1.865 1.00 0.36 H new ATOM 0 HD12 LEU A 14 1.278 5.890 0.347 1.00 0.36 H new ATOM 0 HD13 LEU A 14 0.416 6.145 1.883 1.00 0.36 H new ATOM 0 HD21 LEU A 14 0.869 3.360 3.029 1.00 0.44 H new ATOM 0 HD22 LEU A 14 -0.697 4.207 3.028 1.00 0.44 H new ATOM 0 HD23 LEU A 14 -0.567 2.576 2.329 1.00 0.44 H new ATOM 219 N ALA A 15 -2.226 6.769 -1.553 1.00 0.30 N ATOM 220 CA ALA A 15 -1.982 7.646 -2.748 1.00 0.31 C ATOM 221 C ALA A 15 -1.508 9.034 -2.297 1.00 0.30 C ATOM 222 O ALA A 15 -0.464 9.508 -2.712 1.00 0.33 O ATOM 223 CB ALA A 15 -3.329 7.754 -3.471 1.00 0.38 C ATOM 0 H ALA A 15 -3.122 6.281 -1.547 1.00 0.30 H new ATOM 0 HA ALA A 15 -1.211 7.234 -3.399 1.00 0.31 H new ATOM 0 HB1 ALA A 15 -3.218 8.383 -4.355 1.00 0.38 H new ATOM 0 HB2 ALA A 15 -3.661 6.760 -3.772 1.00 0.38 H new ATOM 0 HB3 ALA A 15 -4.067 8.196 -2.801 1.00 0.38 H new ATOM 229 N ARG A 16 -2.262 9.681 -1.438 1.00 0.33 N ATOM 230 CA ARG A 16 -1.849 11.035 -0.949 1.00 0.37 C ATOM 231 C ARG A 16 -0.639 10.910 -0.007 1.00 0.30 C ATOM 232 O ARG A 16 0.226 11.765 0.013 1.00 0.33 O ATOM 233 CB ARG A 16 -3.098 11.618 -0.245 1.00 0.49 C ATOM 234 CG ARG A 16 -2.903 11.734 1.278 1.00 0.50 C ATOM 235 CD ARG A 16 -3.537 10.526 1.975 1.00 0.89 C ATOM 236 NE ARG A 16 -3.886 11.010 3.342 1.00 1.57 N ATOM 237 CZ ARG A 16 -3.257 10.538 4.389 1.00 2.55 C ATOM 238 NH1 ARG A 16 -3.677 9.441 4.964 1.00 3.21 N ATOM 239 NH2 ARG A 16 -2.209 11.163 4.858 1.00 3.23 N ATOM 0 H ARG A 16 -3.141 9.331 -1.057 1.00 0.33 H new ATOM 0 HA ARG A 16 -1.527 11.696 -1.754 1.00 0.37 H new ATOM 0 HB2 ARG A 16 -3.320 12.602 -0.658 1.00 0.49 H new ATOM 0 HB3 ARG A 16 -3.960 10.984 -0.452 1.00 0.49 H new ATOM 0 HG2 ARG A 16 -1.840 11.786 1.515 1.00 0.50 H new ATOM 0 HG3 ARG A 16 -3.356 12.656 1.643 1.00 0.50 H new ATOM 0 HD2 ARG A 16 -4.422 10.181 1.440 1.00 0.89 H new ATOM 0 HD3 ARG A 16 -2.843 9.686 2.018 1.00 0.89 H new ATOM 0 HE ARG A 16 -4.617 11.711 3.462 1.00 1.57 H new ATOM 0 HH11 ARG A 16 -4.494 8.953 4.597 1.00 3.21 H new ATOM 0 HH12 ARG A 16 -3.187 9.073 5.780 1.00 3.21 H new ATOM 0 HH21 ARG A 16 -1.882 12.018 4.408 1.00 3.23 H new ATOM 0 HH22 ARG A 16 -1.719 10.796 5.674 1.00 3.23 H new ATOM 253 N SER A 17 -0.565 9.846 0.762 1.00 0.27 N ATOM 254 CA SER A 17 0.597 9.667 1.689 1.00 0.25 C ATOM 255 C SER A 17 1.868 9.297 0.903 1.00 0.24 C ATOM 256 O SER A 17 2.960 9.659 1.287 1.00 0.33 O ATOM 257 CB SER A 17 0.192 8.531 2.630 1.00 0.29 C ATOM 258 OG SER A 17 0.272 8.982 3.973 1.00 0.90 O ATOM 0 H SER A 17 -1.258 9.098 0.786 1.00 0.27 H new ATOM 0 HA SER A 17 0.825 10.583 2.235 1.00 0.25 H new ATOM 0 HB2 SER A 17 -0.822 8.201 2.405 1.00 0.29 H new ATOM 0 HB3 SER A 17 0.846 7.672 2.484 1.00 0.29 H new ATOM 0 HG SER A 17 0.011 8.256 4.578 1.00 0.90 H new ATOM 264 N PHE A 18 1.729 8.584 -0.194 1.00 0.24 N ATOM 265 CA PHE A 18 2.919 8.190 -1.019 1.00 0.24 C ATOM 266 C PHE A 18 3.692 9.444 -1.437 1.00 0.26 C ATOM 267 O PHE A 18 4.887 9.547 -1.233 1.00 0.30 O ATOM 268 CB PHE A 18 2.345 7.507 -2.268 1.00 0.26 C ATOM 269 CG PHE A 18 2.403 6.003 -2.124 1.00 0.27 C ATOM 270 CD1 PHE A 18 3.637 5.345 -2.052 1.00 0.29 C ATOM 271 CD2 PHE A 18 1.217 5.267 -2.069 1.00 0.30 C ATOM 272 CE1 PHE A 18 3.678 3.950 -1.924 1.00 0.33 C ATOM 273 CE2 PHE A 18 1.260 3.878 -1.943 1.00 0.34 C ATOM 274 CZ PHE A 18 2.486 3.219 -1.871 1.00 0.35 C ATOM 0 H PHE A 18 0.833 8.256 -0.555 1.00 0.24 H new ATOM 0 HA PHE A 18 3.597 7.538 -0.469 1.00 0.24 H new ATOM 0 HB2 PHE A 18 1.313 7.824 -2.421 1.00 0.26 H new ATOM 0 HB3 PHE A 18 2.907 7.816 -3.149 1.00 0.26 H new ATOM 0 HD1 PHE A 18 4.555 5.912 -2.095 1.00 0.29 H new ATOM 0 HD2 PHE A 18 0.265 5.774 -2.124 1.00 0.30 H new ATOM 0 HE1 PHE A 18 4.628 3.440 -1.866 1.00 0.33 H new ATOM 0 HE2 PHE A 18 0.341 3.312 -1.901 1.00 0.34 H new ATOM 0 HZ PHE A 18 2.516 2.144 -1.774 1.00 0.35 H new ATOM 284 N ALA A 19 3.001 10.398 -2.022 1.00 0.28 N ATOM 285 CA ALA A 19 3.670 11.661 -2.462 1.00 0.32 C ATOM 286 C ALA A 19 4.259 12.403 -1.254 1.00 0.33 C ATOM 287 O ALA A 19 5.335 12.966 -1.333 1.00 0.40 O ATOM 288 CB ALA A 19 2.565 12.492 -3.118 1.00 0.36 C ATOM 0 H ALA A 19 2.000 10.353 -2.213 1.00 0.28 H new ATOM 0 HA ALA A 19 4.496 11.470 -3.148 1.00 0.32 H new ATOM 0 HB1 ALA A 19 2.980 13.437 -3.468 1.00 0.36 H new ATOM 0 HB2 ALA A 19 2.150 11.943 -3.963 1.00 0.36 H new ATOM 0 HB3 ALA A 19 1.777 12.688 -2.391 1.00 0.36 H new ATOM 294 N ARG A 20 3.570 12.397 -0.133 1.00 0.32 N ATOM 295 CA ARG A 20 4.102 13.091 1.082 1.00 0.37 C ATOM 296 C ARG A 20 5.317 12.329 1.628 1.00 0.35 C ATOM 297 O ARG A 20 6.282 12.923 2.076 1.00 0.41 O ATOM 298 CB ARG A 20 2.955 13.077 2.096 1.00 0.42 C ATOM 299 CG ARG A 20 3.112 14.259 3.059 1.00 0.65 C ATOM 300 CD ARG A 20 3.541 13.748 4.439 1.00 0.84 C ATOM 301 NE ARG A 20 2.277 13.627 5.222 1.00 0.97 N ATOM 302 CZ ARG A 20 2.078 12.591 5.992 1.00 1.53 C ATOM 303 NH1 ARG A 20 2.500 12.607 7.229 1.00 2.24 N ATOM 304 NH2 ARG A 20 1.458 11.540 5.524 1.00 2.18 N ATOM 0 H ARG A 20 2.665 11.942 -0.010 1.00 0.32 H new ATOM 0 HA ARG A 20 4.430 14.108 0.865 1.00 0.37 H new ATOM 0 HB2 ARG A 20 1.997 13.140 1.579 1.00 0.42 H new ATOM 0 HB3 ARG A 20 2.957 12.139 2.651 1.00 0.42 H new ATOM 0 HG2 ARG A 20 3.853 14.959 2.673 1.00 0.65 H new ATOM 0 HG3 ARG A 20 2.171 14.803 3.139 1.00 0.65 H new ATOM 0 HD2 ARG A 20 4.050 12.787 4.362 1.00 0.84 H new ATOM 0 HD3 ARG A 20 4.235 14.439 4.917 1.00 0.84 H new ATOM 0 HE ARG A 20 1.566 14.355 5.156 1.00 0.97 H new ATOM 0 HH11 ARG A 20 2.984 13.428 7.592 1.00 2.24 H new ATOM 0 HH12 ARG A 20 2.345 11.798 7.831 1.00 2.24 H new ATOM 0 HH21 ARG A 20 1.130 11.529 4.558 1.00 2.18 H new ATOM 0 HH22 ARG A 20 1.302 10.730 6.125 1.00 2.18 H new ATOM 318 N MET A 21 5.278 11.017 1.579 1.00 0.34 N ATOM 319 CA MET A 21 6.428 10.196 2.076 1.00 0.35 C ATOM 320 C MET A 21 7.673 10.441 1.207 1.00 0.35 C ATOM 321 O MET A 21 8.788 10.235 1.645 1.00 0.42 O ATOM 322 CB MET A 21 5.966 8.742 1.954 1.00 0.38 C ATOM 323 CG MET A 21 4.888 8.449 3.005 1.00 0.40 C ATOM 324 SD MET A 21 5.658 7.752 4.486 1.00 0.77 S ATOM 325 CE MET A 21 4.272 8.019 5.617 1.00 1.65 C ATOM 0 H MET A 21 4.493 10.477 1.214 1.00 0.34 H new ATOM 0 HA MET A 21 6.701 10.450 3.100 1.00 0.35 H new ATOM 0 HB2 MET A 21 5.572 8.559 0.954 1.00 0.38 H new ATOM 0 HB3 MET A 21 6.813 8.069 2.091 1.00 0.38 H new ATOM 0 HG2 MET A 21 4.354 9.365 3.257 1.00 0.40 H new ATOM 0 HG3 MET A 21 4.153 7.752 2.602 1.00 0.40 H new ATOM 0 HE1 MET A 21 4.537 7.654 6.609 1.00 1.65 H new ATOM 0 HE2 MET A 21 4.046 9.084 5.671 1.00 1.65 H new ATOM 0 HE3 MET A 21 3.397 7.480 5.254 1.00 1.65 H new ATOM 335 N HIS A 22 7.484 10.883 -0.019 1.00 0.34 N ATOM 336 CA HIS A 22 8.648 11.153 -0.922 1.00 0.36 C ATOM 337 C HIS A 22 9.599 12.173 -0.282 1.00 0.41 C ATOM 338 O HIS A 22 10.806 12.022 -0.329 1.00 0.50 O ATOM 339 CB HIS A 22 8.034 11.722 -2.204 1.00 0.38 C ATOM 340 CG HIS A 22 8.838 11.277 -3.394 1.00 0.36 C ATOM 341 ND1 HIS A 22 8.590 10.081 -4.049 1.00 0.31 N ATOM 342 CD2 HIS A 22 9.884 11.861 -4.063 1.00 0.54 C ATOM 343 CE1 HIS A 22 9.468 9.985 -5.065 1.00 0.36 C ATOM 344 NE2 HIS A 22 10.280 11.044 -5.118 1.00 0.50 N ATOM 0 H HIS A 22 6.569 11.068 -0.431 1.00 0.34 H new ATOM 0 HA HIS A 22 9.234 10.254 -1.114 1.00 0.36 H new ATOM 0 HB2 HIS A 22 7.002 11.386 -2.304 1.00 0.38 H new ATOM 0 HB3 HIS A 22 8.011 12.811 -2.155 1.00 0.38 H new ATOM 0 HD2 HIS A 22 10.332 12.810 -3.809 1.00 0.54 H new ATOM 0 HE1 HIS A 22 9.511 9.154 -5.753 1.00 0.36 H new ATOM 0 HE2 HIS A 22 11.030 11.217 -5.788 1.00 0.50 H new ATOM 352 N ALA A 23 9.062 13.209 0.318 1.00 0.42 N ATOM 353 CA ALA A 23 9.925 14.244 0.966 1.00 0.52 C ATOM 354 C ALA A 23 10.269 13.843 2.410 1.00 0.52 C ATOM 355 O ALA A 23 11.299 14.224 2.932 1.00 0.65 O ATOM 356 CB ALA A 23 9.087 15.523 0.952 1.00 0.60 C ATOM 0 H ALA A 23 8.059 13.382 0.386 1.00 0.42 H new ATOM 0 HA ALA A 23 10.874 14.367 0.443 1.00 0.52 H new ATOM 0 HB1 ALA A 23 9.652 16.333 1.412 1.00 0.60 H new ATOM 0 HB2 ALA A 23 8.845 15.788 -0.077 1.00 0.60 H new ATOM 0 HB3 ALA A 23 8.166 15.360 1.511 1.00 0.60 H new ATOM 362 N GLU A 24 9.416 13.083 3.060 1.00 0.47 N ATOM 363 CA GLU A 24 9.699 12.666 4.472 1.00 0.50 C ATOM 364 C GLU A 24 10.783 11.577 4.518 1.00 0.51 C ATOM 365 O GLU A 24 11.493 11.447 5.497 1.00 0.58 O ATOM 366 CB GLU A 24 8.374 12.111 5.001 1.00 0.51 C ATOM 367 CG GLU A 24 7.495 13.258 5.507 1.00 0.62 C ATOM 368 CD GLU A 24 6.774 12.824 6.785 1.00 1.08 C ATOM 369 OE1 GLU A 24 5.717 12.224 6.671 1.00 1.41 O ATOM 370 OE2 GLU A 24 7.292 13.097 7.855 1.00 1.48 O ATOM 0 H GLU A 24 8.538 12.735 2.674 1.00 0.47 H new ATOM 0 HA GLU A 24 10.067 13.501 5.068 1.00 0.50 H new ATOM 0 HB2 GLU A 24 7.857 11.566 4.212 1.00 0.51 H new ATOM 0 HB3 GLU A 24 8.562 11.402 5.807 1.00 0.51 H new ATOM 0 HG2 GLU A 24 8.106 14.139 5.703 1.00 0.62 H new ATOM 0 HG3 GLU A 24 6.768 13.537 4.744 1.00 0.62 H new ATOM 377 N GLY A 25 10.912 10.793 3.473 1.00 0.47 N ATOM 378 CA GLY A 25 11.945 9.714 3.464 1.00 0.52 C ATOM 379 C GLY A 25 11.485 8.548 4.347 1.00 0.51 C ATOM 380 O GLY A 25 12.269 7.965 5.072 1.00 0.61 O ATOM 0 H GLY A 25 10.345 10.856 2.627 1.00 0.47 H new ATOM 0 HA2 GLY A 25 12.112 9.366 2.445 1.00 0.52 H new ATOM 0 HA3 GLY A 25 12.895 10.105 3.827 1.00 0.52 H new ATOM 384 N ARG A 26 10.220 8.204 4.289 1.00 0.46 N ATOM 385 CA ARG A 26 9.703 7.073 5.122 1.00 0.46 C ATOM 386 C ARG A 26 9.396 5.865 4.228 1.00 0.43 C ATOM 387 O ARG A 26 9.210 6.016 3.037 1.00 0.42 O ATOM 388 CB ARG A 26 8.415 7.603 5.761 1.00 0.47 C ATOM 389 CG ARG A 26 8.652 7.895 7.246 1.00 0.60 C ATOM 390 CD ARG A 26 8.366 9.374 7.534 1.00 0.74 C ATOM 391 NE ARG A 26 9.692 9.973 7.856 1.00 1.07 N ATOM 392 CZ ARG A 26 9.974 10.322 9.083 1.00 1.54 C ATOM 393 NH1 ARG A 26 10.285 9.410 9.967 1.00 2.22 N ATOM 394 NH2 ARG A 26 9.945 11.583 9.427 1.00 1.68 N ATOM 0 H ARG A 26 9.523 8.659 3.700 1.00 0.46 H new ATOM 0 HA ARG A 26 10.424 6.747 5.871 1.00 0.46 H new ATOM 0 HB2 ARG A 26 8.092 8.510 5.250 1.00 0.47 H new ATOM 0 HB3 ARG A 26 7.615 6.871 5.648 1.00 0.47 H new ATOM 0 HG2 ARG A 26 8.007 7.264 7.858 1.00 0.60 H new ATOM 0 HG3 ARG A 26 9.681 7.655 7.514 1.00 0.60 H new ATOM 0 HD2 ARG A 26 7.912 9.862 6.672 1.00 0.74 H new ATOM 0 HD3 ARG A 26 7.671 9.486 8.366 1.00 0.74 H new ATOM 0 HE ARG A 26 10.381 10.111 7.117 1.00 1.07 H new ATOM 0 HH11 ARG A 26 10.307 8.426 9.699 1.00 2.22 H new ATOM 0 HH12 ARG A 26 10.505 9.682 10.925 1.00 2.22 H new ATOM 0 HH21 ARG A 26 9.702 12.294 8.737 1.00 1.68 H new ATOM 0 HH22 ARG A 26 10.165 11.855 10.385 1.00 1.68 H new ATOM 408 N PRO A 27 9.351 4.699 4.832 1.00 0.46 N ATOM 409 CA PRO A 27 9.064 3.453 4.071 1.00 0.46 C ATOM 410 C PRO A 27 7.603 3.429 3.606 1.00 0.43 C ATOM 411 O PRO A 27 6.687 3.638 4.378 1.00 0.45 O ATOM 412 CB PRO A 27 9.351 2.341 5.077 1.00 0.52 C ATOM 413 CG PRO A 27 9.179 2.980 6.416 1.00 0.55 C ATOM 414 CD PRO A 27 9.557 4.430 6.262 1.00 0.53 C ATOM 0 HA PRO A 27 9.662 3.355 3.165 1.00 0.46 H new ATOM 0 HB2 PRO A 27 8.665 1.504 4.947 1.00 0.52 H new ATOM 0 HB3 PRO A 27 10.360 1.948 4.954 1.00 0.52 H new ATOM 0 HG2 PRO A 27 8.149 2.884 6.760 1.00 0.55 H new ATOM 0 HG3 PRO A 27 9.810 2.494 7.160 1.00 0.55 H new ATOM 0 HD2 PRO A 27 8.934 5.073 6.883 1.00 0.53 H new ATOM 0 HD3 PRO A 27 10.591 4.607 6.557 1.00 0.53 H new ATOM 422 N VAL A 28 7.392 3.184 2.337 1.00 0.39 N ATOM 423 CA VAL A 28 6.006 3.147 1.776 1.00 0.38 C ATOM 424 C VAL A 28 5.869 1.912 0.882 1.00 0.41 C ATOM 425 O VAL A 28 6.714 1.657 0.043 1.00 0.44 O ATOM 426 CB VAL A 28 5.860 4.440 0.949 1.00 0.34 C ATOM 427 CG1 VAL A 28 4.393 4.854 0.901 1.00 0.35 C ATOM 428 CG2 VAL A 28 6.661 5.582 1.586 1.00 0.35 C ATOM 0 H VAL A 28 8.131 3.006 1.657 1.00 0.39 H new ATOM 0 HA VAL A 28 5.238 3.088 2.547 1.00 0.38 H new ATOM 0 HB VAL A 28 6.236 4.246 -0.055 1.00 0.34 H new ATOM 0 HG11 VAL A 28 4.292 5.768 0.316 1.00 0.35 H new ATOM 0 HG12 VAL A 28 3.806 4.060 0.439 1.00 0.35 H new ATOM 0 HG13 VAL A 28 4.031 5.030 1.914 1.00 0.35 H new ATOM 0 HG21 VAL A 28 6.545 6.486 0.988 1.00 0.35 H new ATOM 0 HG22 VAL A 28 6.293 5.766 2.595 1.00 0.35 H new ATOM 0 HG23 VAL A 28 7.715 5.308 1.628 1.00 0.35 H new ATOM 438 N ASP A 29 4.829 1.133 1.061 1.00 0.44 N ATOM 439 CA ASP A 29 4.672 -0.096 0.221 1.00 0.48 C ATOM 440 C ASP A 29 4.311 0.287 -1.221 1.00 0.44 C ATOM 441 O ASP A 29 3.151 0.309 -1.601 1.00 0.44 O ATOM 442 CB ASP A 29 3.523 -0.875 0.880 1.00 0.53 C ATOM 443 CG ASP A 29 3.549 -2.347 0.439 1.00 0.67 C ATOM 444 OD1 ASP A 29 3.808 -2.600 -0.728 1.00 0.82 O ATOM 445 OD2 ASP A 29 3.299 -3.197 1.277 1.00 0.85 O ATOM 0 H ASP A 29 4.089 1.293 1.745 1.00 0.44 H new ATOM 0 HA ASP A 29 5.588 -0.684 0.168 1.00 0.48 H new ATOM 0 HB2 ASP A 29 3.609 -0.813 1.965 1.00 0.53 H new ATOM 0 HB3 ASP A 29 2.568 -0.425 0.609 1.00 0.53 H new ATOM 450 N ILE A 30 5.299 0.549 -2.040 1.00 0.43 N ATOM 451 CA ILE A 30 5.002 0.901 -3.459 1.00 0.41 C ATOM 452 C ILE A 30 4.439 -0.326 -4.171 1.00 0.45 C ATOM 453 O ILE A 30 3.610 -0.204 -5.046 1.00 0.46 O ATOM 454 CB ILE A 30 6.330 1.341 -4.084 1.00 0.41 C ATOM 455 CG1 ILE A 30 6.719 2.724 -3.539 1.00 0.36 C ATOM 456 CG2 ILE A 30 6.176 1.418 -5.607 1.00 0.43 C ATOM 457 CD1 ILE A 30 5.762 3.790 -4.082 1.00 0.34 C ATOM 0 H ILE A 30 6.288 0.534 -1.790 1.00 0.43 H new ATOM 0 HA ILE A 30 4.264 1.699 -3.540 1.00 0.41 H new ATOM 0 HB ILE A 30 7.107 0.619 -3.832 1.00 0.41 H new ATOM 0 HG12 ILE A 30 6.688 2.717 -2.449 1.00 0.36 H new ATOM 0 HG13 ILE A 30 7.743 2.962 -3.827 1.00 0.36 H new ATOM 0 HG21 ILE A 30 7.120 1.731 -6.053 1.00 0.43 H new ATOM 0 HG22 ILE A 30 5.899 0.438 -5.995 1.00 0.43 H new ATOM 0 HG23 ILE A 30 5.399 2.140 -5.858 1.00 0.43 H new ATOM 0 HD11 ILE A 30 6.045 4.767 -3.690 1.00 0.34 H new ATOM 0 HD12 ILE A 30 5.815 3.806 -5.171 1.00 0.34 H new ATOM 0 HD13 ILE A 30 4.743 3.556 -3.772 1.00 0.34 H new ATOM 469 N LEU A 31 4.865 -1.509 -3.779 1.00 0.50 N ATOM 470 CA LEU A 31 4.331 -2.753 -4.413 1.00 0.55 C ATOM 471 C LEU A 31 2.800 -2.708 -4.382 1.00 0.56 C ATOM 472 O LEU A 31 2.141 -3.034 -5.351 1.00 0.58 O ATOM 473 CB LEU A 31 4.891 -3.905 -3.556 1.00 0.61 C ATOM 474 CG LEU A 31 4.141 -5.223 -3.824 1.00 0.68 C ATOM 475 CD1 LEU A 31 2.783 -5.205 -3.111 1.00 0.71 C ATOM 476 CD2 LEU A 31 3.937 -5.418 -5.332 1.00 0.68 C ATOM 0 H LEU A 31 5.559 -1.662 -3.047 1.00 0.50 H new ATOM 0 HA LEU A 31 4.622 -2.872 -5.457 1.00 0.55 H new ATOM 0 HB2 LEU A 31 5.951 -4.038 -3.771 1.00 0.61 H new ATOM 0 HB3 LEU A 31 4.810 -3.647 -2.500 1.00 0.61 H new ATOM 0 HG LEU A 31 4.735 -6.052 -3.439 1.00 0.68 H new ATOM 0 HD11 LEU A 31 2.258 -6.140 -3.305 1.00 0.71 H new ATOM 0 HD12 LEU A 31 2.937 -5.091 -2.038 1.00 0.71 H new ATOM 0 HD13 LEU A 31 2.188 -4.371 -3.483 1.00 0.71 H new ATOM 0 HD21 LEU A 31 3.406 -6.353 -5.509 1.00 0.68 H new ATOM 0 HD22 LEU A 31 3.354 -4.588 -5.731 1.00 0.68 H new ATOM 0 HD23 LEU A 31 4.907 -5.452 -5.829 1.00 0.68 H new ATOM 488 N ALA A 32 2.237 -2.268 -3.283 1.00 0.55 N ATOM 489 CA ALA A 32 0.752 -2.154 -3.188 1.00 0.56 C ATOM 490 C ALA A 32 0.242 -1.304 -4.358 1.00 0.54 C ATOM 491 O ALA A 32 -0.798 -1.570 -4.932 1.00 0.59 O ATOM 492 CB ALA A 32 0.510 -1.438 -1.860 1.00 0.55 C ATOM 0 H ALA A 32 2.746 -1.983 -2.446 1.00 0.55 H new ATOM 0 HA ALA A 32 0.240 -3.115 -3.231 1.00 0.56 H new ATOM 0 HB1 ALA A 32 -0.561 -1.310 -1.706 1.00 0.55 H new ATOM 0 HB2 ALA A 32 0.926 -2.031 -1.046 1.00 0.55 H new ATOM 0 HB3 ALA A 32 0.993 -0.461 -1.880 1.00 0.55 H new ATOM 498 N VAL A 33 0.990 -0.287 -4.711 1.00 0.48 N ATOM 499 CA VAL A 33 0.597 0.605 -5.846 1.00 0.47 C ATOM 500 C VAL A 33 0.964 -0.016 -7.208 1.00 0.49 C ATOM 501 O VAL A 33 0.394 0.333 -8.222 1.00 0.54 O ATOM 502 CB VAL A 33 1.392 1.894 -5.601 1.00 0.42 C ATOM 503 CG1 VAL A 33 1.540 2.691 -6.899 1.00 0.41 C ATOM 504 CG2 VAL A 33 0.651 2.751 -4.575 1.00 0.44 C ATOM 0 H VAL A 33 1.867 -0.034 -4.255 1.00 0.48 H new ATOM 0 HA VAL A 33 -0.479 0.773 -5.883 1.00 0.47 H new ATOM 0 HB VAL A 33 2.383 1.630 -5.233 1.00 0.42 H new ATOM 0 HG11 VAL A 33 2.107 3.602 -6.704 1.00 0.41 H new ATOM 0 HG12 VAL A 33 2.066 2.087 -7.639 1.00 0.41 H new ATOM 0 HG13 VAL A 33 0.553 2.953 -7.280 1.00 0.41 H new ATOM 0 HG21 VAL A 33 1.210 3.669 -4.396 1.00 0.44 H new ATOM 0 HG22 VAL A 33 -0.340 2.998 -4.955 1.00 0.44 H new ATOM 0 HG23 VAL A 33 0.553 2.197 -3.641 1.00 0.44 H new ATOM 514 N THR A 34 1.911 -0.920 -7.246 1.00 0.50 N ATOM 515 CA THR A 34 2.309 -1.538 -8.558 1.00 0.54 C ATOM 516 C THR A 34 1.384 -2.715 -8.924 1.00 0.62 C ATOM 517 O THR A 34 1.506 -3.289 -9.991 1.00 0.68 O ATOM 518 CB THR A 34 3.760 -2.029 -8.375 1.00 0.54 C ATOM 519 OG1 THR A 34 3.759 -3.330 -7.801 1.00 0.60 O ATOM 520 CG2 THR A 34 4.537 -1.078 -7.463 1.00 0.49 C ATOM 0 H THR A 34 2.426 -1.258 -6.433 1.00 0.50 H new ATOM 0 HA THR A 34 2.227 -0.815 -9.370 1.00 0.54 H new ATOM 0 HB THR A 34 4.241 -2.057 -9.353 1.00 0.54 H new ATOM 0 HG1 THR A 34 4.682 -3.638 -7.688 1.00 0.60 H new ATOM 0 HG21 THR A 34 5.558 -1.440 -7.345 1.00 0.49 H new ATOM 0 HG22 THR A 34 4.554 -0.082 -7.906 1.00 0.49 H new ATOM 0 HG23 THR A 34 4.053 -1.033 -6.487 1.00 0.49 H new ATOM 528 N GLY A 35 0.470 -3.083 -8.055 1.00 0.73 N ATOM 529 CA GLY A 35 -0.446 -4.224 -8.359 1.00 0.82 C ATOM 530 C GLY A 35 -1.477 -3.812 -9.415 1.00 0.83 C ATOM 531 O GLY A 35 -1.492 -4.337 -10.512 1.00 0.94 O ATOM 0 H GLY A 35 0.321 -2.640 -7.148 1.00 0.73 H new ATOM 0 HA2 GLY A 35 0.131 -5.077 -8.717 1.00 0.82 H new ATOM 0 HA3 GLY A 35 -0.955 -4.543 -7.449 1.00 0.82 H new ATOM 535 N ASN A 36 -2.347 -2.886 -9.089 1.00 0.82 N ATOM 536 CA ASN A 36 -3.390 -2.453 -10.073 1.00 0.88 C ATOM 537 C ASN A 36 -2.869 -1.331 -10.989 1.00 0.82 C ATOM 538 O ASN A 36 -3.266 -1.235 -12.135 1.00 0.92 O ATOM 539 CB ASN A 36 -4.573 -1.962 -9.225 1.00 0.97 C ATOM 540 CG ASN A 36 -4.188 -0.692 -8.455 1.00 0.91 C ATOM 541 OD1 ASN A 36 -3.484 -0.757 -7.467 1.00 0.98 O ATOM 542 ND2 ASN A 36 -4.623 0.468 -8.870 1.00 0.95 N ATOM 0 H ASN A 36 -2.380 -2.412 -8.186 1.00 0.82 H new ATOM 0 HA ASN A 36 -3.675 -3.271 -10.734 1.00 0.88 H new ATOM 0 HB2 ASN A 36 -5.430 -1.760 -9.867 1.00 0.97 H new ATOM 0 HB3 ASN A 36 -4.876 -2.741 -8.526 1.00 0.97 H new ATOM 0 HD21 ASN A 36 -4.371 1.318 -8.365 1.00 0.95 H new ATOM 0 HD22 ASN A 36 -5.214 0.524 -9.699 1.00 0.95 H new ATOM 549 N MET A 37 -1.994 -0.484 -10.500 1.00 0.74 N ATOM 550 CA MET A 37 -1.467 0.627 -11.356 1.00 0.70 C ATOM 551 C MET A 37 -0.184 0.191 -12.072 1.00 0.69 C ATOM 552 O MET A 37 0.735 -0.325 -11.461 1.00 0.71 O ATOM 553 CB MET A 37 -1.183 1.785 -10.395 1.00 0.66 C ATOM 554 CG MET A 37 -1.091 3.096 -11.181 1.00 0.62 C ATOM 555 SD MET A 37 -2.728 3.541 -11.816 1.00 0.95 S ATOM 556 CE MET A 37 -2.752 5.251 -11.221 1.00 1.41 C ATOM 0 H MET A 37 -1.624 -0.513 -9.550 1.00 0.74 H new ATOM 0 HA MET A 37 -2.178 0.913 -12.131 1.00 0.70 H new ATOM 0 HB2 MET A 37 -1.973 1.852 -9.648 1.00 0.66 H new ATOM 0 HB3 MET A 37 -0.251 1.605 -9.858 1.00 0.66 H new ATOM 0 HG2 MET A 37 -0.711 3.891 -10.539 1.00 0.62 H new ATOM 0 HG3 MET A 37 -0.387 2.988 -12.006 1.00 0.62 H new ATOM 0 HE1 MET A 37 -3.464 5.831 -11.809 1.00 1.41 H new ATOM 0 HE2 MET A 37 -3.049 5.267 -10.172 1.00 1.41 H new ATOM 0 HE3 MET A 37 -1.758 5.686 -11.323 1.00 1.41 H new ATOM 566 N ASP A 38 -0.119 0.400 -13.364 1.00 0.70 N ATOM 567 CA ASP A 38 1.100 0.006 -14.137 1.00 0.71 C ATOM 568 C ASP A 38 1.361 1.003 -15.274 1.00 0.71 C ATOM 569 O ASP A 38 2.457 1.509 -15.414 1.00 0.69 O ATOM 570 CB ASP A 38 0.792 -1.381 -14.699 1.00 0.79 C ATOM 571 CG ASP A 38 0.939 -2.431 -13.593 1.00 0.88 C ATOM 572 OD1 ASP A 38 2.067 -2.776 -13.277 1.00 0.97 O ATOM 573 OD2 ASP A 38 -0.077 -2.872 -13.081 1.00 1.10 O ATOM 0 H ASP A 38 -0.860 0.828 -13.919 1.00 0.70 H new ATOM 0 HA ASP A 38 1.993 0.000 -13.512 1.00 0.71 H new ATOM 0 HB2 ASP A 38 -0.220 -1.404 -15.103 1.00 0.79 H new ATOM 0 HB3 ASP A 38 1.469 -1.609 -15.522 1.00 0.79 H new ATOM 578 N GLU A 39 0.364 1.288 -16.086 1.00 0.77 N ATOM 579 CA GLU A 39 0.556 2.259 -17.215 1.00 0.80 C ATOM 580 C GLU A 39 1.094 3.586 -16.672 1.00 0.72 C ATOM 581 O GLU A 39 2.196 3.993 -16.988 1.00 0.73 O ATOM 582 CB GLU A 39 -0.835 2.460 -17.827 1.00 0.90 C ATOM 583 CG GLU A 39 -1.137 1.324 -18.808 1.00 1.05 C ATOM 584 CD GLU A 39 -2.043 0.289 -18.137 1.00 1.22 C ATOM 585 OE1 GLU A 39 -3.251 0.443 -18.221 1.00 1.42 O ATOM 586 OE2 GLU A 39 -1.514 -0.641 -17.548 1.00 1.49 O ATOM 0 H GLU A 39 -0.572 0.890 -16.015 1.00 0.77 H new ATOM 0 HA GLU A 39 1.270 1.893 -17.953 1.00 0.80 H new ATOM 0 HB2 GLU A 39 -1.589 2.484 -17.040 1.00 0.90 H new ATOM 0 HB3 GLU A 39 -0.881 3.420 -18.342 1.00 0.90 H new ATOM 0 HG2 GLU A 39 -1.621 1.721 -19.701 1.00 1.05 H new ATOM 0 HG3 GLU A 39 -0.208 0.853 -19.131 1.00 1.05 H new ATOM 593 N GLU A 40 0.332 4.245 -15.834 1.00 0.69 N ATOM 594 CA GLU A 40 0.806 5.532 -15.242 1.00 0.65 C ATOM 595 C GLU A 40 1.875 5.239 -14.178 1.00 0.57 C ATOM 596 O GLU A 40 2.708 6.072 -13.873 1.00 0.57 O ATOM 597 CB GLU A 40 -0.434 6.166 -14.604 1.00 0.72 C ATOM 598 CG GLU A 40 -0.175 7.652 -14.334 1.00 0.78 C ATOM 599 CD GLU A 40 -0.004 7.882 -12.829 1.00 0.98 C ATOM 600 OE1 GLU A 40 -1.009 7.937 -12.140 1.00 1.21 O ATOM 601 OE2 GLU A 40 1.128 8.003 -12.391 1.00 1.37 O ATOM 0 H GLU A 40 -0.597 3.947 -15.535 1.00 0.69 H new ATOM 0 HA GLU A 40 1.254 6.195 -15.982 1.00 0.65 H new ATOM 0 HB2 GLU A 40 -1.293 6.051 -15.265 1.00 0.72 H new ATOM 0 HB3 GLU A 40 -0.677 5.654 -13.673 1.00 0.72 H new ATOM 0 HG2 GLU A 40 0.719 7.977 -14.865 1.00 0.78 H new ATOM 0 HG3 GLU A 40 -1.005 8.250 -14.711 1.00 0.78 H new ATOM 608 N HIS A 41 1.853 4.049 -13.620 1.00 0.54 N ATOM 609 CA HIS A 41 2.855 3.666 -12.579 1.00 0.48 C ATOM 610 C HIS A 41 4.282 3.635 -13.161 1.00 0.47 C ATOM 611 O HIS A 41 5.250 3.704 -12.427 1.00 0.46 O ATOM 612 CB HIS A 41 2.428 2.264 -12.130 1.00 0.52 C ATOM 613 CG HIS A 41 3.318 1.799 -11.013 1.00 0.49 C ATOM 614 ND1 HIS A 41 3.305 2.396 -9.762 1.00 0.48 N ATOM 615 CD2 HIS A 41 4.262 0.807 -10.946 1.00 0.56 C ATOM 616 CE1 HIS A 41 4.216 1.762 -9.003 1.00 0.51 C ATOM 617 NE2 HIS A 41 4.827 0.785 -9.678 1.00 0.56 N ATOM 0 H HIS A 41 1.175 3.322 -13.846 1.00 0.54 H new ATOM 0 HA HIS A 41 2.879 4.381 -11.756 1.00 0.48 H new ATOM 0 HB2 HIS A 41 1.390 2.278 -11.799 1.00 0.52 H new ATOM 0 HB3 HIS A 41 2.486 1.569 -12.968 1.00 0.52 H new ATOM 0 HD2 HIS A 41 4.526 0.144 -11.756 1.00 0.56 H new ATOM 0 HE1 HIS A 41 4.428 2.012 -7.974 1.00 0.51 H new ATOM 0 HE2 HIS A 41 5.554 0.157 -9.335 1.00 0.56 H new ATOM 625 N ARG A 42 4.422 3.528 -14.465 1.00 0.50 N ATOM 626 CA ARG A 42 5.790 3.490 -15.079 1.00 0.49 C ATOM 627 C ARG A 42 6.585 4.747 -14.696 1.00 0.43 C ATOM 628 O ARG A 42 7.643 4.656 -14.100 1.00 0.43 O ATOM 629 CB ARG A 42 5.558 3.440 -16.593 1.00 0.57 C ATOM 630 CG ARG A 42 5.137 2.024 -17.005 1.00 0.67 C ATOM 631 CD ARG A 42 6.375 1.126 -17.121 1.00 0.81 C ATOM 632 NE ARG A 42 6.434 0.372 -15.834 1.00 0.83 N ATOM 633 CZ ARG A 42 5.637 -0.646 -15.630 1.00 0.95 C ATOM 634 NH1 ARG A 42 5.849 -1.778 -16.250 1.00 1.24 N ATOM 635 NH2 ARG A 42 4.629 -0.530 -14.803 1.00 1.10 N ATOM 0 H ARG A 42 3.649 3.466 -15.128 1.00 0.50 H new ATOM 0 HA ARG A 42 6.367 2.633 -14.731 1.00 0.49 H new ATOM 0 HB2 ARG A 42 4.787 4.156 -16.876 1.00 0.57 H new ATOM 0 HB3 ARG A 42 6.468 3.727 -17.120 1.00 0.57 H new ATOM 0 HG2 ARG A 42 4.445 1.612 -16.270 1.00 0.67 H new ATOM 0 HG3 ARG A 42 4.608 2.055 -17.958 1.00 0.67 H new ATOM 0 HD2 ARG A 42 6.292 0.448 -17.971 1.00 0.81 H new ATOM 0 HD3 ARG A 42 7.278 1.718 -17.272 1.00 0.81 H new ATOM 0 HE ARG A 42 7.098 0.651 -15.111 1.00 0.83 H new ATOM 0 HH11 ARG A 42 6.636 -1.868 -16.893 1.00 1.24 H new ATOM 0 HH12 ARG A 42 5.228 -2.571 -16.091 1.00 1.24 H new ATOM 0 HH21 ARG A 42 4.466 0.353 -14.319 1.00 1.10 H new ATOM 0 HH22 ARG A 42 4.007 -1.322 -14.643 1.00 1.10 H new ATOM 649 N THR A 43 6.084 5.915 -15.023 1.00 0.44 N ATOM 650 CA THR A 43 6.815 7.173 -14.666 1.00 0.42 C ATOM 651 C THR A 43 6.721 7.431 -13.153 1.00 0.37 C ATOM 652 O THR A 43 7.645 7.946 -12.546 1.00 0.36 O ATOM 653 CB THR A 43 6.130 8.295 -15.466 1.00 0.51 C ATOM 654 OG1 THR A 43 6.931 9.470 -15.409 1.00 0.57 O ATOM 655 CG2 THR A 43 4.741 8.597 -14.890 1.00 0.57 C ATOM 0 H THR A 43 5.204 6.051 -15.520 1.00 0.44 H new ATOM 0 HA THR A 43 7.876 7.112 -14.907 1.00 0.42 H new ATOM 0 HB THR A 43 6.017 7.971 -16.500 1.00 0.51 H new ATOM 0 HG1 THR A 43 6.498 10.186 -15.919 1.00 0.57 H new ATOM 0 HG21 THR A 43 4.272 9.393 -15.469 1.00 0.57 H new ATOM 0 HG22 THR A 43 4.124 7.700 -14.940 1.00 0.57 H new ATOM 0 HG23 THR A 43 4.839 8.913 -13.851 1.00 0.57 H new ATOM 663 N TRP A 44 5.614 7.069 -12.540 1.00 0.38 N ATOM 664 CA TRP A 44 5.462 7.285 -11.071 1.00 0.35 C ATOM 665 C TRP A 44 6.543 6.506 -10.314 1.00 0.31 C ATOM 666 O TRP A 44 7.258 7.066 -9.507 1.00 0.32 O ATOM 667 CB TRP A 44 4.058 6.770 -10.722 1.00 0.40 C ATOM 668 CG TRP A 44 3.963 6.504 -9.250 1.00 0.38 C ATOM 669 CD1 TRP A 44 4.246 5.321 -8.662 1.00 0.41 C ATOM 670 CD2 TRP A 44 3.576 7.411 -8.175 1.00 0.38 C ATOM 671 NE1 TRP A 44 4.056 5.439 -7.299 1.00 0.42 N ATOM 672 CE2 TRP A 44 3.642 6.707 -6.949 1.00 0.40 C ATOM 673 CE3 TRP A 44 3.176 8.760 -8.144 1.00 0.40 C ATOM 674 CZ2 TRP A 44 3.324 7.319 -5.735 1.00 0.44 C ATOM 675 CZ3 TRP A 44 2.856 9.379 -6.922 1.00 0.44 C ATOM 676 CH2 TRP A 44 2.930 8.658 -5.722 1.00 0.46 C ATOM 0 H TRP A 44 4.813 6.634 -12.998 1.00 0.38 H new ATOM 0 HA TRP A 44 5.575 8.333 -10.792 1.00 0.35 H new ATOM 0 HB2 TRP A 44 3.308 7.504 -11.017 1.00 0.40 H new ATOM 0 HB3 TRP A 44 3.847 5.857 -11.280 1.00 0.40 H new ATOM 0 HD1 TRP A 44 4.569 4.427 -9.175 1.00 0.41 H new ATOM 0 HE1 TRP A 44 4.204 4.681 -6.633 1.00 0.42 H new ATOM 0 HE3 TRP A 44 3.114 9.323 -9.064 1.00 0.40 H new ATOM 0 HZ2 TRP A 44 3.382 6.760 -4.813 1.00 0.44 H new ATOM 0 HZ3 TRP A 44 2.552 10.415 -6.908 1.00 0.44 H new ATOM 0 HH2 TRP A 44 2.682 9.139 -4.787 1.00 0.46 H new ATOM 687 N PHE A 45 6.674 5.222 -10.564 1.00 0.31 N ATOM 688 CA PHE A 45 7.716 4.438 -9.839 1.00 0.29 C ATOM 689 C PHE A 45 9.119 4.864 -10.272 1.00 0.27 C ATOM 690 O PHE A 45 10.060 4.640 -9.560 1.00 0.30 O ATOM 691 CB PHE A 45 7.484 2.959 -10.165 1.00 0.34 C ATOM 692 CG PHE A 45 7.962 2.094 -9.004 1.00 0.34 C ATOM 693 CD1 PHE A 45 8.643 2.667 -7.912 1.00 0.32 C ATOM 694 CD2 PHE A 45 7.713 0.716 -9.013 1.00 0.41 C ATOM 695 CE1 PHE A 45 9.066 1.866 -6.847 1.00 0.35 C ATOM 696 CE2 PHE A 45 8.134 -0.084 -7.942 1.00 0.44 C ATOM 697 CZ PHE A 45 8.810 0.493 -6.859 1.00 0.41 C ATOM 0 H PHE A 45 6.111 4.693 -11.230 1.00 0.31 H new ATOM 0 HA PHE A 45 7.642 4.614 -8.766 1.00 0.29 H new ATOM 0 HB2 PHE A 45 6.425 2.780 -10.352 1.00 0.34 H new ATOM 0 HB3 PHE A 45 8.019 2.689 -11.076 1.00 0.34 H new ATOM 0 HD1 PHE A 45 8.839 3.729 -7.897 1.00 0.32 H new ATOM 0 HD2 PHE A 45 7.195 0.268 -9.848 1.00 0.41 H new ATOM 0 HE1 PHE A 45 9.591 2.309 -6.014 1.00 0.35 H new ATOM 0 HE2 PHE A 45 7.937 -1.146 -7.952 1.00 0.44 H new ATOM 0 HZ PHE A 45 9.133 -0.124 -6.033 1.00 0.41 H new ATOM 707 N CYS A 46 9.282 5.484 -11.415 1.00 0.28 N ATOM 708 CA CYS A 46 10.657 5.919 -11.818 1.00 0.30 C ATOM 709 C CYS A 46 11.238 6.805 -10.703 1.00 0.28 C ATOM 710 O CYS A 46 12.279 6.511 -10.130 1.00 0.30 O ATOM 711 CB CYS A 46 10.474 6.714 -13.115 1.00 0.35 C ATOM 712 SG CYS A 46 11.952 6.540 -14.144 1.00 0.82 S ATOM 0 H CYS A 46 8.538 5.705 -12.076 1.00 0.28 H new ATOM 0 HA CYS A 46 11.342 5.085 -11.971 1.00 0.30 H new ATOM 0 HB2 CYS A 46 9.598 6.354 -13.654 1.00 0.35 H new ATOM 0 HB3 CYS A 46 10.298 7.765 -12.888 1.00 0.35 H new ATOM 0 HG CYS A 46 11.796 7.213 -15.245 1.00 0.82 H new ATOM 718 N ALA A 47 10.544 7.869 -10.370 1.00 0.28 N ATOM 719 CA ALA A 47 11.015 8.770 -9.275 1.00 0.30 C ATOM 720 C ALA A 47 10.775 8.119 -7.903 1.00 0.26 C ATOM 721 O ALA A 47 11.456 8.422 -6.941 1.00 0.29 O ATOM 722 CB ALA A 47 10.179 10.044 -9.415 1.00 0.37 C ATOM 0 H ALA A 47 9.669 8.151 -10.813 1.00 0.28 H new ATOM 0 HA ALA A 47 12.083 8.974 -9.346 1.00 0.30 H new ATOM 0 HB1 ALA A 47 10.469 10.756 -8.642 1.00 0.37 H new ATOM 0 HB2 ALA A 47 10.349 10.485 -10.397 1.00 0.37 H new ATOM 0 HB3 ALA A 47 9.122 9.800 -9.305 1.00 0.37 H new ATOM 728 N ARG A 48 9.818 7.219 -7.808 1.00 0.24 N ATOM 729 CA ARG A 48 9.542 6.544 -6.499 1.00 0.24 C ATOM 730 C ARG A 48 10.440 5.307 -6.328 1.00 0.24 C ATOM 731 O ARG A 48 10.539 4.749 -5.253 1.00 0.28 O ATOM 732 CB ARG A 48 8.065 6.134 -6.554 1.00 0.26 C ATOM 733 CG ARG A 48 7.207 7.207 -5.877 1.00 0.31 C ATOM 734 CD ARG A 48 6.861 8.305 -6.885 1.00 0.37 C ATOM 735 NE ARG A 48 6.133 9.344 -6.099 1.00 0.45 N ATOM 736 CZ ARG A 48 6.137 10.593 -6.495 1.00 0.55 C ATOM 737 NH1 ARG A 48 6.024 10.881 -7.768 1.00 0.62 N ATOM 738 NH2 ARG A 48 6.246 11.555 -5.615 1.00 0.69 N ATOM 0 H ARG A 48 9.219 6.926 -8.580 1.00 0.24 H new ATOM 0 HA ARG A 48 9.748 7.201 -5.654 1.00 0.24 H new ATOM 0 HB2 ARG A 48 7.752 6.004 -7.590 1.00 0.26 H new ATOM 0 HB3 ARG A 48 7.925 5.175 -6.056 1.00 0.26 H new ATOM 0 HG2 ARG A 48 6.294 6.761 -5.483 1.00 0.31 H new ATOM 0 HG3 ARG A 48 7.744 7.634 -5.030 1.00 0.31 H new ATOM 0 HD2 ARG A 48 7.760 8.716 -7.343 1.00 0.37 H new ATOM 0 HD3 ARG A 48 6.241 7.916 -7.693 1.00 0.37 H new ATOM 0 HE ARG A 48 5.631 9.081 -5.251 1.00 0.45 H new ATOM 0 HH11 ARG A 48 5.933 10.132 -8.454 1.00 0.62 H new ATOM 0 HH12 ARG A 48 6.027 11.854 -8.073 1.00 0.62 H new ATOM 0 HH21 ARG A 48 6.328 11.332 -4.623 1.00 0.69 H new ATOM 0 HH22 ARG A 48 6.249 12.528 -5.921 1.00 0.69 H new ATOM 752 N TYR A 49 11.105 4.889 -7.378 1.00 0.25 N ATOM 753 CA TYR A 49 12.013 3.708 -7.292 1.00 0.30 C ATOM 754 C TYR A 49 13.250 4.121 -6.520 1.00 0.32 C ATOM 755 O TYR A 49 13.612 3.533 -5.519 1.00 0.38 O ATOM 756 CB TYR A 49 12.412 3.400 -8.738 1.00 0.31 C ATOM 757 CG TYR A 49 11.747 2.131 -9.225 1.00 0.36 C ATOM 758 CD1 TYR A 49 11.825 0.960 -8.461 1.00 0.42 C ATOM 759 CD2 TYR A 49 11.069 2.123 -10.450 1.00 0.42 C ATOM 760 CE1 TYR A 49 11.221 -0.217 -8.921 1.00 0.48 C ATOM 761 CE2 TYR A 49 10.468 0.947 -10.911 1.00 0.49 C ATOM 762 CZ TYR A 49 10.543 -0.224 -10.146 1.00 0.50 C ATOM 763 OH TYR A 49 9.949 -1.384 -10.599 1.00 0.58 O ATOM 0 H TYR A 49 11.055 5.322 -8.300 1.00 0.25 H new ATOM 0 HA TYR A 49 11.548 2.852 -6.803 1.00 0.30 H new ATOM 0 HB2 TYR A 49 12.130 4.233 -9.382 1.00 0.31 H new ATOM 0 HB3 TYR A 49 13.495 3.297 -8.806 1.00 0.31 H new ATOM 0 HD1 TYR A 49 12.351 0.964 -7.518 1.00 0.42 H new ATOM 0 HD2 TYR A 49 11.010 3.026 -11.040 1.00 0.42 H new ATOM 0 HE1 TYR A 49 11.278 -1.120 -8.331 1.00 0.48 H new ATOM 0 HE2 TYR A 49 9.946 0.942 -11.857 1.00 0.49 H new ATOM 0 HH TYR A 49 9.520 -1.216 -11.464 1.00 0.58 H new ATOM 773 N ALA A 50 13.887 5.155 -6.997 1.00 0.30 N ATOM 774 CA ALA A 50 15.107 5.677 -6.331 1.00 0.33 C ATOM 775 C ALA A 50 14.758 6.201 -4.939 1.00 0.32 C ATOM 776 O ALA A 50 15.438 5.917 -3.971 1.00 0.37 O ATOM 777 CB ALA A 50 15.539 6.819 -7.225 1.00 0.35 C ATOM 0 H ALA A 50 13.606 5.666 -7.834 1.00 0.30 H new ATOM 0 HA ALA A 50 15.882 4.921 -6.201 1.00 0.33 H new ATOM 0 HB1 ALA A 50 16.441 7.278 -6.819 1.00 0.35 H new ATOM 0 HB2 ALA A 50 15.744 6.440 -8.226 1.00 0.35 H new ATOM 0 HB3 ALA A 50 14.744 7.563 -7.275 1.00 0.35 H new ATOM 783 N TRP A 51 13.692 6.956 -4.840 1.00 0.29 N ATOM 784 CA TRP A 51 13.272 7.494 -3.517 1.00 0.29 C ATOM 785 C TRP A 51 13.093 6.333 -2.540 1.00 0.30 C ATOM 786 O TRP A 51 13.712 6.296 -1.502 1.00 0.36 O ATOM 787 CB TRP A 51 11.943 8.210 -3.789 1.00 0.27 C ATOM 788 CG TRP A 51 11.060 8.174 -2.570 1.00 0.27 C ATOM 789 CD1 TRP A 51 11.308 8.805 -1.398 1.00 0.31 C ATOM 790 CD2 TRP A 51 9.799 7.466 -2.392 1.00 0.26 C ATOM 791 NE1 TRP A 51 10.275 8.527 -0.514 1.00 0.32 N ATOM 792 CE2 TRP A 51 9.318 7.708 -1.085 1.00 0.28 C ATOM 793 CE3 TRP A 51 9.035 6.646 -3.235 1.00 0.29 C ATOM 794 CZ2 TRP A 51 8.114 7.151 -0.635 1.00 0.30 C ATOM 795 CZ3 TRP A 51 7.830 6.088 -2.789 1.00 0.34 C ATOM 796 CH2 TRP A 51 7.370 6.341 -1.493 1.00 0.33 C ATOM 0 H TRP A 51 13.095 7.222 -5.623 1.00 0.29 H new ATOM 0 HA TRP A 51 14.000 8.173 -3.074 1.00 0.29 H new ATOM 0 HB2 TRP A 51 12.133 9.244 -4.076 1.00 0.27 H new ATOM 0 HB3 TRP A 51 11.433 7.735 -4.627 1.00 0.27 H new ATOM 0 HD1 TRP A 51 12.168 9.423 -1.186 1.00 0.31 H new ATOM 0 HE1 TRP A 51 10.227 8.883 0.441 1.00 0.32 H new ATOM 0 HE3 TRP A 51 9.379 6.443 -4.238 1.00 0.29 H new ATOM 0 HZ2 TRP A 51 7.765 7.347 0.368 1.00 0.30 H new ATOM 0 HZ3 TRP A 51 7.253 5.459 -3.450 1.00 0.34 H new ATOM 0 HH2 TRP A 51 6.439 5.909 -1.156 1.00 0.33 H new ATOM 807 N TYR A 52 12.263 5.378 -2.885 1.00 0.30 N ATOM 808 CA TYR A 52 12.056 4.206 -1.985 1.00 0.33 C ATOM 809 C TYR A 52 13.382 3.467 -1.758 1.00 0.37 C ATOM 810 O TYR A 52 13.638 2.956 -0.687 1.00 0.43 O ATOM 811 CB TYR A 52 11.056 3.305 -2.717 1.00 0.36 C ATOM 812 CG TYR A 52 10.881 2.024 -1.939 1.00 0.40 C ATOM 813 CD1 TYR A 52 9.934 1.954 -0.912 1.00 0.43 C ATOM 814 CD2 TYR A 52 11.679 0.913 -2.235 1.00 0.52 C ATOM 815 CE1 TYR A 52 9.781 0.771 -0.183 1.00 0.48 C ATOM 816 CE2 TYR A 52 11.525 -0.270 -1.507 1.00 0.57 C ATOM 817 CZ TYR A 52 10.577 -0.342 -0.481 1.00 0.50 C ATOM 818 OH TYR A 52 10.428 -1.511 0.235 1.00 0.57 O ATOM 0 H TYR A 52 11.722 5.362 -3.750 1.00 0.30 H new ATOM 0 HA TYR A 52 11.688 4.505 -1.004 1.00 0.33 H new ATOM 0 HB2 TYR A 52 10.098 3.815 -2.822 1.00 0.36 H new ATOM 0 HB3 TYR A 52 11.413 3.087 -3.724 1.00 0.36 H new ATOM 0 HD1 TYR A 52 9.321 2.813 -0.682 1.00 0.43 H new ATOM 0 HD2 TYR A 52 12.413 0.970 -3.025 1.00 0.52 H new ATOM 0 HE1 TYR A 52 9.049 0.715 0.610 1.00 0.48 H new ATOM 0 HE2 TYR A 52 12.138 -1.129 -1.737 1.00 0.57 H new ATOM 0 HH TYR A 52 11.057 -2.183 -0.101 1.00 0.57 H new ATOM 828 N CYS A 53 14.220 3.404 -2.761 1.00 0.37 N ATOM 829 CA CYS A 53 15.526 2.695 -2.614 1.00 0.42 C ATOM 830 C CYS A 53 16.399 3.358 -1.536 1.00 0.44 C ATOM 831 O CYS A 53 16.984 2.682 -0.712 1.00 0.51 O ATOM 832 CB CYS A 53 16.187 2.800 -3.991 1.00 0.42 C ATOM 833 SG CYS A 53 17.866 2.126 -3.915 1.00 0.53 S ATOM 0 H CYS A 53 14.055 3.815 -3.680 1.00 0.37 H new ATOM 0 HA CYS A 53 15.393 1.660 -2.299 1.00 0.42 H new ATOM 0 HB2 CYS A 53 15.599 2.255 -4.730 1.00 0.42 H new ATOM 0 HB3 CYS A 53 16.217 3.841 -4.312 1.00 0.42 H new ATOM 0 HG CYS A 53 18.423 2.215 -5.086 1.00 0.53 H new ATOM 839 N GLN A 54 16.504 4.665 -1.543 1.00 0.41 N ATOM 840 CA GLN A 54 17.359 5.354 -0.519 1.00 0.45 C ATOM 841 C GLN A 54 16.638 5.492 0.840 1.00 0.44 C ATOM 842 O GLN A 54 17.271 5.455 1.880 1.00 0.46 O ATOM 843 CB GLN A 54 17.686 6.729 -1.123 1.00 0.46 C ATOM 844 CG GLN A 54 16.457 7.645 -1.076 1.00 0.42 C ATOM 845 CD GLN A 54 16.481 8.484 0.207 1.00 0.47 C ATOM 846 OE1 GLN A 54 15.474 8.618 0.875 1.00 0.49 O ATOM 847 NE2 GLN A 54 17.590 9.062 0.582 1.00 0.56 N ATOM 0 H GLN A 54 16.039 5.283 -2.208 1.00 0.41 H new ATOM 0 HA GLN A 54 18.260 4.779 -0.305 1.00 0.45 H new ATOM 0 HB2 GLN A 54 18.509 7.187 -0.574 1.00 0.46 H new ATOM 0 HB3 GLN A 54 18.018 6.610 -2.154 1.00 0.46 H new ATOM 0 HG2 GLN A 54 16.446 8.299 -1.948 1.00 0.42 H new ATOM 0 HG3 GLN A 54 15.546 7.048 -1.114 1.00 0.42 H new ATOM 0 HE21 GLN A 54 18.437 8.952 0.024 1.00 0.56 H new ATOM 0 HE22 GLN A 54 17.610 9.624 1.433 1.00 0.56 H new ATOM 856 N GLN A 55 15.335 5.657 0.852 1.00 0.42 N ATOM 857 CA GLN A 55 14.617 5.807 2.164 1.00 0.42 C ATOM 858 C GLN A 55 14.408 4.447 2.849 1.00 0.44 C ATOM 859 O GLN A 55 14.523 4.345 4.054 1.00 0.48 O ATOM 860 CB GLN A 55 13.264 6.480 1.858 1.00 0.39 C ATOM 861 CG GLN A 55 12.505 5.712 0.773 1.00 0.37 C ATOM 862 CD GLN A 55 11.358 4.913 1.393 1.00 0.40 C ATOM 863 OE1 GLN A 55 11.496 4.353 2.462 1.00 0.48 O ATOM 864 NE2 GLN A 55 10.221 4.834 0.759 1.00 0.41 N ATOM 0 H GLN A 55 14.742 5.694 0.023 1.00 0.42 H new ATOM 0 HA GLN A 55 15.207 6.411 2.853 1.00 0.42 H new ATOM 0 HB2 GLN A 55 12.662 6.525 2.766 1.00 0.39 H new ATOM 0 HB3 GLN A 55 13.429 7.507 1.534 1.00 0.39 H new ATOM 0 HG2 GLN A 55 12.113 6.408 0.032 1.00 0.37 H new ATOM 0 HG3 GLN A 55 13.185 5.039 0.251 1.00 0.37 H new ATOM 0 HE21 GLN A 55 10.104 5.304 -0.139 1.00 0.41 H new ATOM 0 HE22 GLN A 55 9.449 4.302 1.161 1.00 0.41 H new ATOM 873 N MET A 56 14.100 3.406 2.107 1.00 0.44 N ATOM 874 CA MET A 56 13.885 2.069 2.752 1.00 0.48 C ATOM 875 C MET A 56 15.219 1.458 3.195 1.00 0.50 C ATOM 876 O MET A 56 15.304 0.859 4.251 1.00 0.54 O ATOM 877 CB MET A 56 13.213 1.192 1.704 1.00 0.49 C ATOM 878 CG MET A 56 12.001 0.502 2.338 1.00 0.58 C ATOM 879 SD MET A 56 12.537 -1.015 3.167 1.00 0.77 S ATOM 880 CE MET A 56 11.831 -0.649 4.791 1.00 1.15 C ATOM 0 H MET A 56 13.989 3.424 1.093 1.00 0.44 H new ATOM 0 HA MET A 56 13.268 2.159 3.646 1.00 0.48 H new ATOM 0 HB2 MET A 56 12.900 1.795 0.852 1.00 0.49 H new ATOM 0 HB3 MET A 56 13.916 0.449 1.328 1.00 0.49 H new ATOM 0 HG2 MET A 56 11.521 1.170 3.053 1.00 0.58 H new ATOM 0 HG3 MET A 56 11.260 0.269 1.573 1.00 0.58 H new ATOM 0 HE1 MET A 56 12.248 -1.332 5.531 1.00 1.15 H new ATOM 0 HE2 MET A 56 12.070 0.378 5.069 1.00 1.15 H new ATOM 0 HE3 MET A 56 10.749 -0.772 4.753 1.00 1.15 H new ATOM 890 N MET A 57 16.263 1.611 2.410 1.00 0.52 N ATOM 891 CA MET A 57 17.590 1.046 2.817 1.00 0.57 C ATOM 892 C MET A 57 18.066 1.734 4.106 1.00 0.57 C ATOM 893 O MET A 57 18.725 1.131 4.932 1.00 0.63 O ATOM 894 CB MET A 57 18.549 1.322 1.646 1.00 0.60 C ATOM 895 CG MET A 57 18.875 2.818 1.553 1.00 0.59 C ATOM 896 SD MET A 57 20.370 3.175 2.511 1.00 0.71 S ATOM 897 CE MET A 57 21.392 3.740 1.130 1.00 1.25 C ATOM 0 H MET A 57 16.253 2.098 1.514 1.00 0.52 H new ATOM 0 HA MET A 57 17.539 -0.023 3.023 1.00 0.57 H new ATOM 0 HB2 MET A 57 19.468 0.752 1.780 1.00 0.60 H new ATOM 0 HB3 MET A 57 18.098 0.984 0.713 1.00 0.60 H new ATOM 0 HG2 MET A 57 19.021 3.105 0.512 1.00 0.59 H new ATOM 0 HG3 MET A 57 18.039 3.407 1.931 1.00 0.59 H new ATOM 0 HE1 MET A 57 22.380 4.018 1.498 1.00 1.25 H new ATOM 0 HE2 MET A 57 21.490 2.938 0.398 1.00 1.25 H new ATOM 0 HE3 MET A 57 20.923 4.605 0.661 1.00 1.25 H new ATOM 907 N GLN A 58 17.714 2.987 4.290 1.00 0.54 N ATOM 908 CA GLN A 58 18.123 3.709 5.535 1.00 0.58 C ATOM 909 C GLN A 58 17.077 3.493 6.643 1.00 0.58 C ATOM 910 O GLN A 58 17.303 3.829 7.789 1.00 0.63 O ATOM 911 CB GLN A 58 18.195 5.186 5.142 1.00 0.60 C ATOM 912 CG GLN A 58 19.024 5.954 6.175 1.00 0.99 C ATOM 913 CD GLN A 58 20.110 6.766 5.465 1.00 1.56 C ATOM 914 OE1 GLN A 58 21.208 6.287 5.259 1.00 2.46 O ATOM 915 NE2 GLN A 58 19.848 7.985 5.077 1.00 1.85 N ATOM 0 H GLN A 58 17.162 3.538 3.632 1.00 0.54 H new ATOM 0 HA GLN A 58 19.076 3.349 5.923 1.00 0.58 H new ATOM 0 HB2 GLN A 58 18.643 5.288 4.153 1.00 0.60 H new ATOM 0 HB3 GLN A 58 17.191 5.606 5.082 1.00 0.60 H new ATOM 0 HG2 GLN A 58 18.380 6.617 6.752 1.00 0.99 H new ATOM 0 HG3 GLN A 58 19.479 5.258 6.880 1.00 0.99 H new ATOM 0 HE21 GLN A 58 18.927 8.388 5.249 1.00 1.85 H new ATOM 0 HE22 GLN A 58 20.564 8.534 4.602 1.00 1.85 H new ATOM 924 N ALA A 59 15.942 2.925 6.308 1.00 0.58 N ATOM 925 CA ALA A 59 14.884 2.668 7.330 1.00 0.59 C ATOM 926 C ALA A 59 15.071 1.268 7.925 1.00 0.59 C ATOM 927 O ALA A 59 14.865 1.050 9.104 1.00 0.69 O ATOM 928 CB ALA A 59 13.562 2.750 6.558 1.00 0.61 C ATOM 0 H ALA A 59 15.704 2.627 5.362 1.00 0.58 H new ATOM 0 HA ALA A 59 14.917 3.378 8.156 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.731 2.572 7.240 1.00 0.61 H new ATOM 0 HB2 ALA A 59 13.461 3.740 6.114 1.00 0.61 H new ATOM 0 HB3 ALA A 59 13.553 1.996 5.771 1.00 0.61 H new ATOM 934 N ARG A 60 15.460 0.319 7.109 1.00 0.61 N ATOM 935 CA ARG A 60 15.665 -1.074 7.601 1.00 0.64 C ATOM 936 C ARG A 60 17.030 -1.204 8.291 1.00 0.72 C ATOM 937 O ARG A 60 18.064 -1.162 7.651 1.00 0.87 O ATOM 938 CB ARG A 60 15.606 -1.941 6.337 1.00 0.78 C ATOM 939 CG ARG A 60 15.870 -3.407 6.693 1.00 0.89 C ATOM 940 CD ARG A 60 17.014 -3.950 5.830 1.00 1.21 C ATOM 941 NE ARG A 60 16.469 -3.994 4.442 1.00 1.61 N ATOM 942 CZ ARG A 60 15.908 -5.084 3.992 1.00 1.83 C ATOM 943 NH1 ARG A 60 16.650 -6.090 3.613 1.00 1.99 N ATOM 944 NH2 ARG A 60 14.606 -5.166 3.919 1.00 2.46 N ATOM 0 H ARG A 60 15.645 0.454 6.115 1.00 0.61 H new ATOM 0 HA ARG A 60 14.919 -1.371 8.338 1.00 0.64 H new ATOM 0 HB2 ARG A 60 14.628 -1.843 5.865 1.00 0.78 H new ATOM 0 HB3 ARG A 60 16.345 -1.595 5.614 1.00 0.78 H new ATOM 0 HG2 ARG A 60 16.125 -3.495 7.749 1.00 0.89 H new ATOM 0 HG3 ARG A 60 14.968 -3.998 6.533 1.00 0.89 H new ATOM 0 HD2 ARG A 60 17.891 -3.306 5.888 1.00 1.21 H new ATOM 0 HD3 ARG A 60 17.323 -4.941 6.163 1.00 1.21 H new ATOM 0 HE ARG A 60 16.535 -3.171 3.843 1.00 1.61 H new ATOM 0 HH11 ARG A 60 17.666 -6.024 3.669 1.00 1.99 H new ATOM 0 HH12 ARG A 60 16.213 -6.942 3.261 1.00 1.99 H new ATOM 0 HH21 ARG A 60 14.028 -4.379 4.213 1.00 2.46 H new ATOM 0 HH22 ARG A 60 14.168 -6.017 3.568 1.00 2.46 H new ATOM 958 N GLU A 61 17.036 -1.364 9.592 1.00 0.76 N ATOM 959 CA GLU A 61 18.330 -1.502 10.333 1.00 0.94 C ATOM 960 C GLU A 61 18.372 -2.829 11.104 1.00 0.98 C ATOM 961 O GLU A 61 19.330 -3.574 11.015 1.00 1.22 O ATOM 962 CB GLU A 61 18.363 -0.316 11.301 1.00 1.05 C ATOM 963 CG GLU A 61 19.323 0.754 10.772 1.00 1.19 C ATOM 964 CD GLU A 61 18.600 1.635 9.749 1.00 1.19 C ATOM 965 OE1 GLU A 61 17.728 2.386 10.155 1.00 1.42 O ATOM 966 OE2 GLU A 61 18.932 1.543 8.579 1.00 1.16 O ATOM 0 H GLU A 61 16.199 -1.405 10.174 1.00 0.76 H new ATOM 0 HA GLU A 61 19.188 -1.504 9.660 1.00 0.94 H new ATOM 0 HB2 GLU A 61 17.363 0.102 11.413 1.00 1.05 H new ATOM 0 HB3 GLU A 61 18.682 -0.649 12.289 1.00 1.05 H new ATOM 0 HG2 GLU A 61 19.692 1.365 11.596 1.00 1.19 H new ATOM 0 HG3 GLU A 61 20.191 0.282 10.311 1.00 1.19 H new ATOM 973 N LEU A 62 17.343 -3.128 11.863 1.00 0.95 N ATOM 974 CA LEU A 62 17.318 -4.405 12.647 1.00 1.01 C ATOM 975 C LEU A 62 16.513 -5.472 11.893 1.00 0.82 C ATOM 976 O LEU A 62 15.350 -5.280 11.591 1.00 0.85 O ATOM 977 CB LEU A 62 16.636 -4.038 13.976 1.00 1.25 C ATOM 978 CG LEU A 62 17.188 -4.894 15.129 1.00 1.49 C ATOM 979 CD1 LEU A 62 16.774 -6.356 14.939 1.00 1.27 C ATOM 980 CD2 LEU A 62 18.718 -4.793 15.176 1.00 1.83 C ATOM 0 H LEU A 62 16.517 -2.540 11.973 1.00 0.95 H new ATOM 0 HA LEU A 62 18.314 -4.819 12.805 1.00 1.01 H new ATOM 0 HB2 LEU A 62 16.796 -2.982 14.192 1.00 1.25 H new ATOM 0 HB3 LEU A 62 15.560 -4.186 13.890 1.00 1.25 H new ATOM 0 HG LEU A 62 16.778 -4.523 16.068 1.00 1.49 H new ATOM 0 HD11 LEU A 62 17.169 -6.955 15.759 1.00 1.27 H new ATOM 0 HD12 LEU A 62 15.686 -6.428 14.928 1.00 1.27 H new ATOM 0 HD13 LEU A 62 17.172 -6.727 13.994 1.00 1.27 H new ATOM 0 HD21 LEU A 62 19.098 -5.403 15.996 1.00 1.83 H new ATOM 0 HD22 LEU A 62 19.135 -5.150 14.235 1.00 1.83 H new ATOM 0 HD23 LEU A 62 19.009 -3.754 15.331 1.00 1.83 H new ATOM 992 N GLU A 63 17.132 -6.594 11.586 1.00 0.85 N ATOM 993 CA GLU A 63 16.427 -7.694 10.842 1.00 0.95 C ATOM 994 C GLU A 63 15.889 -7.182 9.494 1.00 0.99 C ATOM 995 O GLU A 63 16.268 -6.122 9.029 1.00 0.97 O ATOM 996 CB GLU A 63 15.281 -8.148 11.761 1.00 1.01 C ATOM 997 CG GLU A 63 15.857 -8.874 12.984 1.00 1.12 C ATOM 998 CD GLU A 63 16.116 -10.342 12.639 1.00 1.48 C ATOM 999 OE1 GLU A 63 15.180 -11.120 12.702 1.00 1.78 O ATOM 1000 OE2 GLU A 63 17.249 -10.662 12.317 1.00 1.78 O ATOM 0 H GLU A 63 18.104 -6.795 11.822 1.00 0.85 H new ATOM 0 HA GLU A 63 17.099 -8.520 10.609 1.00 0.95 H new ATOM 0 HB2 GLU A 63 14.695 -7.286 12.080 1.00 1.01 H new ATOM 0 HB3 GLU A 63 14.606 -8.809 11.218 1.00 1.01 H new ATOM 0 HG2 GLU A 63 16.784 -8.396 13.299 1.00 1.12 H new ATOM 0 HG3 GLU A 63 15.162 -8.804 13.821 1.00 1.12 H new ATOM 1007 N LEU A 64 15.016 -7.929 8.857 1.00 1.15 N ATOM 1008 CA LEU A 64 14.465 -7.486 7.538 1.00 1.27 C ATOM 1009 C LEU A 64 13.192 -6.654 7.738 1.00 1.22 C ATOM 1010 O LEU A 64 12.329 -6.999 8.523 1.00 1.36 O ATOM 1011 CB LEU A 64 14.154 -8.777 6.772 1.00 1.63 C ATOM 1012 CG LEU A 64 13.749 -8.440 5.332 1.00 1.81 C ATOM 1013 CD1 LEU A 64 14.175 -9.576 4.399 1.00 2.17 C ATOM 1014 CD2 LEU A 64 12.228 -8.260 5.256 1.00 1.95 C ATOM 0 H LEU A 64 14.663 -8.825 9.194 1.00 1.15 H new ATOM 0 HA LEU A 64 15.169 -6.855 6.996 1.00 1.27 H new ATOM 0 HB2 LEU A 64 15.027 -9.430 6.771 1.00 1.63 H new ATOM 0 HB3 LEU A 64 13.350 -9.321 7.268 1.00 1.63 H new ATOM 0 HG LEU A 64 14.240 -7.516 5.026 1.00 1.81 H new ATOM 0 HD11 LEU A 64 13.886 -9.334 3.376 1.00 2.17 H new ATOM 0 HD12 LEU A 64 15.256 -9.703 4.450 1.00 2.17 H new ATOM 0 HD13 LEU A 64 13.686 -10.501 4.705 1.00 2.17 H new ATOM 0 HD21 LEU A 64 11.941 -8.020 4.232 1.00 1.95 H new ATOM 0 HD22 LEU A 64 11.737 -9.183 5.564 1.00 1.95 H new ATOM 0 HD23 LEU A 64 11.924 -7.449 5.917 1.00 1.95 H new ATOM 1026 N GLU A 65 13.075 -5.563 7.021 1.00 1.12 N ATOM 1027 CA GLU A 65 11.866 -4.694 7.144 1.00 1.19 C ATOM 1028 C GLU A 65 11.277 -4.428 5.753 1.00 1.33 C ATOM 1029 O GLU A 65 11.853 -3.709 4.959 1.00 1.15 O ATOM 1030 CB GLU A 65 12.371 -3.391 7.776 1.00 1.05 C ATOM 1031 CG GLU A 65 12.375 -3.523 9.303 1.00 1.17 C ATOM 1032 CD GLU A 65 13.628 -2.854 9.876 1.00 1.08 C ATOM 1033 OE1 GLU A 65 14.710 -3.368 9.642 1.00 1.27 O ATOM 1034 OE2 GLU A 65 13.485 -1.841 10.539 1.00 1.26 O ATOM 0 H GLU A 65 13.771 -5.236 6.351 1.00 1.12 H new ATOM 0 HA GLU A 65 11.081 -5.153 7.745 1.00 1.19 H new ATOM 0 HB2 GLU A 65 13.376 -3.168 7.418 1.00 1.05 H new ATOM 0 HB3 GLU A 65 11.734 -2.559 7.475 1.00 1.05 H new ATOM 0 HG2 GLU A 65 11.481 -3.060 9.720 1.00 1.17 H new ATOM 0 HG3 GLU A 65 12.351 -4.575 9.587 1.00 1.17 H new ATOM 1041 N HIS A 66 10.137 -5.010 5.457 1.00 1.84 N ATOM 1042 CA HIS A 66 9.491 -4.807 4.119 1.00 2.05 C ATOM 1043 C HIS A 66 10.475 -5.159 2.984 1.00 2.11 C ATOM 1044 O HIS A 66 10.894 -4.260 2.268 1.00 1.88 O ATOM 1045 CB HIS A 66 9.091 -3.323 4.088 1.00 1.78 C ATOM 1046 CG HIS A 66 8.062 -3.096 3.012 1.00 2.08 C ATOM 1047 ND1 HIS A 66 8.372 -2.472 1.814 1.00 2.13 N ATOM 1048 CD2 HIS A 66 6.725 -3.401 2.939 1.00 2.55 C ATOM 1049 CE1 HIS A 66 7.247 -2.421 1.079 1.00 2.47 C ATOM 1050 NE2 HIS A 66 6.213 -2.973 1.718 1.00 2.74 N ATOM 1051 OXT HIS A 66 10.793 -6.329 2.854 1.00 2.66 O ATOM 0 H HIS A 66 9.623 -5.622 6.091 1.00 1.84 H new ATOM 0 HA HIS A 66 8.625 -5.452 3.973 1.00 2.05 H new ATOM 0 HB2 HIS A 66 8.690 -3.024 5.057 1.00 1.78 H new ATOM 0 HB3 HIS A 66 9.969 -2.704 3.902 1.00 1.78 H new ATOM 0 HD1 HIS A 66 9.288 -2.116 1.540 1.00 2.13 H new ATOM 0 HD2 HIS A 66 6.157 -3.898 3.712 1.00 2.55 H new ATOM 0 HE1 HIS A 66 7.187 -1.986 0.092 1.00 2.47 H new TER 1059 HIS A 66