USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 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 69 THR OG1 : rot 180:sc= 1.04 USER MOD Set 1.2: A 72 SER OG : rot 77:sc= 1.15 USER MOD Set 2.1: A 9 ASN : amide:sc= 0.589 K(o=1.3,f=-8.2!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ -174:sc= 0.697 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.4 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= -0.0399 X(o=-0.04,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.3) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0.0019) USER MOD Single : A 22 HIS : no HE2:sc= -0.0521 X(o=-0.052,f=-0.014) USER MOD Single : A 23 THR OG1 : rot -34:sc= 0.306 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 160:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.928 K(o=0.93,f=-3.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0825 K(o=-0.082,f=-0.75) USER MOD Single : A 47 THR OG1 : rot 77:sc= 0.683 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 34:sc= 0.186 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0425 USER MOD Single : A 65 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.022) USER MOD Single : A 66 THR OG1 : rot -143:sc= 0.638 USER MOD Single : A 79 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-1.2) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= 0.769 (180deg=0.699) USER MOD Single : A 82 SER OG : rot 109:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.623 -8.832 -4.092 1.00 0.00 N ATOM 2 CA MET A 1 -7.221 -8.450 -4.374 1.00 0.00 C ATOM 3 C MET A 1 -6.258 -9.580 -3.993 1.00 0.00 C ATOM 4 O MET A 1 -6.594 -10.457 -3.195 1.00 0.00 O ATOM 5 CB MET A 1 -6.873 -7.141 -3.618 1.00 0.00 C ATOM 6 CG MET A 1 -7.406 -5.863 -4.283 1.00 0.00 C ATOM 7 SD MET A 1 -9.189 -5.890 -4.600 1.00 0.00 S ATOM 8 CE MET A 1 -9.287 -6.210 -6.365 1.00 0.00 C ATOM 0 H1 MET A 1 -9.225 -7.984 -4.113 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.950 -9.507 -4.812 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.680 -9.274 -3.152 1.00 0.00 H new ATOM 0 HA MET A 1 -7.112 -8.275 -5.444 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.273 -7.203 -2.606 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.789 -7.065 -3.529 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.173 -5.009 -3.646 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.881 -5.710 -5.226 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.333 -6.248 -6.670 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.779 -5.413 -6.908 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.809 -7.164 -6.589 1.00 0.00 H new ATOM 18 N GLN A 2 -5.057 -9.556 -4.592 1.00 0.00 N ATOM 19 CA GLN A 2 -3.981 -10.520 -4.297 1.00 0.00 C ATOM 20 C GLN A 2 -3.059 -9.937 -3.239 1.00 0.00 C ATOM 21 O GLN A 2 -2.833 -10.524 -2.174 1.00 0.00 O ATOM 22 CB GLN A 2 -3.128 -10.822 -5.567 1.00 0.00 C ATOM 23 CG GLN A 2 -3.934 -11.141 -6.828 1.00 0.00 C ATOM 24 CD GLN A 2 -4.842 -12.363 -6.683 1.00 0.00 C ATOM 25 OE1 GLN A 2 -4.434 -13.494 -6.944 1.00 0.00 O ATOM 26 NE2 GLN A 2 -6.081 -12.145 -6.276 1.00 0.00 N ATOM 0 H GLN A 2 -4.802 -8.865 -5.298 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.445 -11.443 -3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.490 -9.962 -5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.470 -11.664 -5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.543 -10.275 -7.088 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.246 -11.307 -7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.390 -11.195 -6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.728 -12.926 -6.171 1.00 0.00 H new ATOM 35 N HIS A 3 -2.554 -8.738 -3.551 1.00 0.00 N ATOM 36 CA HIS A 3 -1.410 -8.152 -2.869 1.00 0.00 C ATOM 37 C HIS A 3 -1.754 -7.545 -1.506 1.00 0.00 C ATOM 38 O HIS A 3 -0.831 -7.204 -0.772 1.00 0.00 O ATOM 39 CB HIS A 3 -0.710 -7.114 -3.772 1.00 0.00 C ATOM 40 CG HIS A 3 0.132 -7.711 -4.874 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.789 -8.916 -4.743 1.00 0.00 N ATOM 42 CD2 HIS A 3 0.475 -7.238 -6.094 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.490 -9.146 -5.830 1.00 0.00 C ATOM 44 NE2 HIS A 3 1.317 -8.146 -6.663 1.00 0.00 N ATOM 0 H HIS A 3 -2.935 -8.148 -4.290 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.723 -8.974 -2.667 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.467 -6.470 -4.219 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.077 -6.479 -3.152 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.142 -6.311 -6.536 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.107 -10.014 -6.009 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.743 -8.062 -7.586 1.00 0.00 H new ATOM 53 N LEU A 4 -3.065 -7.440 -1.170 1.00 0.00 N ATOM 54 CA LEU A 4 -3.541 -6.877 0.126 1.00 0.00 C ATOM 55 C LEU A 4 -2.873 -7.574 1.339 1.00 0.00 C ATOM 56 O LEU A 4 -2.614 -6.943 2.369 1.00 0.00 O ATOM 57 CB LEU A 4 -5.103 -6.961 0.243 1.00 0.00 C ATOM 58 CG LEU A 4 -5.736 -8.342 0.661 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.254 -8.222 0.897 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.443 -9.456 -0.365 1.00 0.00 C ATOM 0 H LEU A 4 -3.821 -7.741 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.248 -5.827 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.425 -6.212 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.527 -6.676 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.260 -8.623 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.656 -9.194 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.443 -7.502 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.739 -7.885 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.900 -10.387 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.856 -9.176 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.365 -9.593 -0.456 1.00 0.00 H new ATOM 72 N GLU A 5 -2.579 -8.877 1.159 1.00 0.00 N ATOM 73 CA GLU A 5 -1.990 -9.745 2.181 1.00 0.00 C ATOM 74 C GLU A 5 -0.563 -9.301 2.526 1.00 0.00 C ATOM 75 O GLU A 5 -0.219 -9.109 3.697 1.00 0.00 O ATOM 76 CB GLU A 5 -1.981 -11.204 1.654 1.00 0.00 C ATOM 77 CG GLU A 5 -1.446 -12.259 2.645 1.00 0.00 C ATOM 78 CD GLU A 5 -2.314 -12.403 3.902 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.409 -12.994 3.808 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.928 -11.912 4.987 1.00 0.00 O ATOM 0 H GLU A 5 -2.751 -9.360 0.277 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.588 -9.680 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.998 -11.477 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.377 -11.242 0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.385 -13.224 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.432 -11.989 2.940 1.00 0.00 H new ATOM 87 N ALA A 6 0.252 -9.122 1.477 1.00 0.00 N ATOM 88 CA ALA A 6 1.662 -8.750 1.623 1.00 0.00 C ATOM 89 C ALA A 6 1.815 -7.291 2.058 1.00 0.00 C ATOM 90 O ALA A 6 2.777 -6.957 2.735 1.00 0.00 O ATOM 91 CB ALA A 6 2.422 -9.016 0.327 1.00 0.00 C ATOM 0 H ALA A 6 -0.048 -9.231 0.508 1.00 0.00 H new ATOM 0 HA ALA A 6 2.092 -9.371 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.467 -8.734 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.360 -10.076 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.983 -8.429 -0.479 1.00 0.00 H new ATOM 97 N VAL A 7 0.851 -6.433 1.668 1.00 0.00 N ATOM 98 CA VAL A 7 0.835 -5.018 2.065 1.00 0.00 C ATOM 99 C VAL A 7 0.571 -4.898 3.583 1.00 0.00 C ATOM 100 O VAL A 7 1.301 -4.198 4.288 1.00 0.00 O ATOM 101 CB VAL A 7 -0.243 -4.184 1.268 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.311 -2.731 1.793 1.00 0.00 C ATOM 103 CG2 VAL A 7 0.032 -4.189 -0.256 1.00 0.00 C ATOM 0 H VAL A 7 0.068 -6.703 1.073 1.00 0.00 H new ATOM 0 HA VAL A 7 1.814 -4.603 1.824 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.207 -4.666 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.060 -2.175 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.582 -2.738 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.662 -2.254 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.733 -3.604 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 7 1.012 -3.753 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.011 -5.214 -0.626 1.00 0.00 H new ATOM 113 N ARG A 8 -0.460 -5.616 4.084 1.00 0.00 N ATOM 114 CA ARG A 8 -0.834 -5.563 5.518 1.00 0.00 C ATOM 115 C ARG A 8 0.233 -6.258 6.371 1.00 0.00 C ATOM 116 O ARG A 8 0.434 -5.892 7.518 1.00 0.00 O ATOM 117 CB ARG A 8 -2.234 -6.174 5.787 1.00 0.00 C ATOM 118 CG ARG A 8 -2.354 -7.699 5.569 1.00 0.00 C ATOM 119 CD ARG A 8 -3.800 -8.200 5.720 1.00 0.00 C ATOM 120 NE ARG A 8 -3.901 -9.663 5.623 1.00 0.00 N ATOM 121 CZ ARG A 8 -4.923 -10.394 6.100 1.00 0.00 C ATOM 122 NH1 ARG A 8 -5.934 -9.820 6.734 1.00 0.00 N ATOM 123 NH2 ARG A 8 -4.916 -11.703 5.946 1.00 0.00 N ATOM 0 H ARG A 8 -1.045 -6.235 3.522 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.888 -4.512 5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.516 -5.950 6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.957 -5.676 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.987 -7.951 4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.716 -8.217 6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.195 -7.875 6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.422 -7.744 4.949 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.140 -10.160 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.945 -8.809 6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.702 -10.389 7.090 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.138 -12.156 5.467 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.689 -12.263 6.306 1.00 0.00 H new ATOM 137 N ASN A 9 0.930 -7.244 5.772 1.00 0.00 N ATOM 138 CA ASN A 9 2.075 -7.918 6.398 1.00 0.00 C ATOM 139 C ASN A 9 3.213 -6.903 6.638 1.00 0.00 C ATOM 140 O ASN A 9 3.782 -6.833 7.742 1.00 0.00 O ATOM 141 CB ASN A 9 2.541 -9.075 5.477 1.00 0.00 C ATOM 142 CG ASN A 9 3.730 -9.875 6.009 1.00 0.00 C ATOM 143 OD1 ASN A 9 3.897 -10.058 7.212 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.566 -10.349 5.105 1.00 0.00 N ATOM 0 H ASN A 9 0.711 -7.593 4.839 1.00 0.00 H new ATOM 0 HA ASN A 9 1.787 -8.332 7.364 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.704 -9.755 5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.804 -8.662 4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.382 -10.887 5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.396 -10.178 4.114 1.00 0.00 H new ATOM 151 N ILE A 10 3.492 -6.099 5.589 1.00 0.00 N ATOM 152 CA ILE A 10 4.510 -5.038 5.613 1.00 0.00 C ATOM 153 C ILE A 10 4.206 -4.002 6.697 1.00 0.00 C ATOM 154 O ILE A 10 5.064 -3.720 7.526 1.00 0.00 O ATOM 155 CB ILE A 10 4.657 -4.331 4.207 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.366 -5.269 3.179 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.394 -2.972 4.319 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.469 -4.702 1.773 1.00 0.00 C ATOM 0 H ILE A 10 3.009 -6.173 4.694 1.00 0.00 H new ATOM 0 HA ILE A 10 5.460 -5.518 5.848 1.00 0.00 H new ATOM 0 HB ILE A 10 3.651 -4.125 3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.370 -5.491 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.826 -6.215 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.474 -2.519 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.835 -2.308 4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.392 -3.132 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.975 -5.420 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.469 -4.507 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.037 -3.772 1.796 1.00 0.00 H new ATOM 170 N LEU A 11 2.991 -3.438 6.678 1.00 0.00 N ATOM 171 CA LEU A 11 2.574 -2.431 7.667 1.00 0.00 C ATOM 172 C LEU A 11 2.524 -3.048 9.080 1.00 0.00 C ATOM 173 O LEU A 11 2.878 -2.392 10.052 1.00 0.00 O ATOM 174 CB LEU A 11 1.217 -1.772 7.268 1.00 0.00 C ATOM 175 CG LEU A 11 1.303 -0.608 6.211 1.00 0.00 C ATOM 176 CD1 LEU A 11 1.770 -1.093 4.821 1.00 0.00 C ATOM 177 CD2 LEU A 11 -0.035 0.161 6.114 1.00 0.00 C ATOM 0 H LEU A 11 2.276 -3.662 5.986 1.00 0.00 H new ATOM 0 HA LEU A 11 3.318 -1.635 7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.561 -2.548 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.745 -1.383 8.170 1.00 0.00 H new ATOM 0 HG LEU A 11 2.067 0.080 6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.810 -0.247 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.761 -1.539 4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.069 -1.836 4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.056 0.958 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.827 -0.524 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.278 0.592 7.085 1.00 0.00 H new ATOM 189 N GLY A 12 2.136 -4.331 9.169 1.00 0.00 N ATOM 190 CA GLY A 12 2.129 -5.062 10.439 1.00 0.00 C ATOM 191 C GLY A 12 3.520 -5.311 11.000 1.00 0.00 C ATOM 192 O GLY A 12 3.662 -5.588 12.193 1.00 0.00 O ATOM 0 H GLY A 12 1.822 -4.882 8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.546 -4.501 11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.626 -6.019 10.296 1.00 0.00 H new ATOM 196 N ASP A 13 4.535 -5.241 10.124 1.00 0.00 N ATOM 197 CA ASP A 13 5.953 -5.321 10.511 1.00 0.00 C ATOM 198 C ASP A 13 6.498 -3.934 10.909 1.00 0.00 C ATOM 199 O ASP A 13 6.972 -3.738 12.031 1.00 0.00 O ATOM 200 CB ASP A 13 6.758 -5.897 9.315 1.00 0.00 C ATOM 201 CG ASP A 13 8.266 -6.040 9.587 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.674 -7.033 10.224 1.00 0.00 O ATOM 203 OD2 ASP A 13 9.052 -5.164 9.164 1.00 0.00 O ATOM 0 H ASP A 13 4.394 -5.127 9.120 1.00 0.00 H new ATOM 0 HA ASP A 13 6.055 -5.973 11.379 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.352 -6.874 9.054 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.615 -5.251 8.449 1.00 0.00 H new ATOM 208 N VAL A 14 6.381 -2.979 9.974 1.00 0.00 N ATOM 209 CA VAL A 14 6.955 -1.623 10.084 1.00 0.00 C ATOM 210 C VAL A 14 6.287 -0.830 11.212 1.00 0.00 C ATOM 211 O VAL A 14 6.965 -0.309 12.105 1.00 0.00 O ATOM 212 CB VAL A 14 6.798 -0.839 8.723 1.00 0.00 C ATOM 213 CG1 VAL A 14 7.299 0.616 8.834 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.505 -1.574 7.561 1.00 0.00 C ATOM 0 H VAL A 14 5.875 -3.128 9.101 1.00 0.00 H new ATOM 0 HA VAL A 14 8.015 -1.733 10.314 1.00 0.00 H new ATOM 0 HB VAL A 14 5.731 -0.804 8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.172 1.119 7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.725 1.141 9.597 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.354 0.618 9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.376 -1.006 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.568 -1.669 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.070 -2.566 7.440 1.00 0.00 H new ATOM 224 N LEU A 15 4.954 -0.754 11.153 1.00 0.00 N ATOM 225 CA LEU A 15 4.135 -0.039 12.154 1.00 0.00 C ATOM 226 C LEU A 15 3.938 -0.921 13.396 1.00 0.00 C ATOM 227 O LEU A 15 3.506 -0.436 14.443 1.00 0.00 O ATOM 228 CB LEU A 15 2.774 0.352 11.539 1.00 0.00 C ATOM 229 CG LEU A 15 2.828 1.154 10.205 1.00 0.00 C ATOM 230 CD1 LEU A 15 1.411 1.435 9.667 1.00 0.00 C ATOM 231 CD2 LEU A 15 3.633 2.460 10.361 1.00 0.00 C ATOM 0 H LEU A 15 4.405 -1.186 10.410 1.00 0.00 H new ATOM 0 HA LEU A 15 4.651 0.872 12.456 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.201 -0.559 11.368 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.224 0.942 12.272 1.00 0.00 H new ATOM 0 HG LEU A 15 3.347 0.536 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.480 1.996 8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.897 0.491 9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.852 2.017 10.400 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.649 2.993 9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.166 3.087 11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.654 2.224 10.662 1.00 0.00 H new ATOM 243 N ASN A 16 4.251 -2.224 13.235 1.00 0.00 N ATOM 244 CA ASN A 16 4.283 -3.215 14.311 1.00 0.00 C ATOM 245 C ASN A 16 2.877 -3.419 14.912 1.00 0.00 C ATOM 246 O ASN A 16 2.614 -3.094 16.074 1.00 0.00 O ATOM 247 CB ASN A 16 5.362 -2.845 15.378 1.00 0.00 C ATOM 248 CG ASN A 16 5.651 -3.973 16.375 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.048 -4.053 17.446 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.572 -4.856 16.018 1.00 0.00 N ATOM 0 H ASN A 16 4.494 -2.618 12.326 1.00 0.00 H new ATOM 0 HA ASN A 16 4.582 -4.178 13.896 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.287 -2.576 14.869 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.031 -1.963 15.926 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.801 -5.633 16.638 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.052 -4.759 15.123 1.00 0.00 H new ATOM 257 N LEU A 17 1.955 -3.889 14.057 1.00 0.00 N ATOM 258 CA LEU A 17 0.603 -4.305 14.481 1.00 0.00 C ATOM 259 C LEU A 17 0.616 -5.765 14.939 1.00 0.00 C ATOM 260 O LEU A 17 -0.236 -6.166 15.740 1.00 0.00 O ATOM 261 CB LEU A 17 -0.448 -4.105 13.348 1.00 0.00 C ATOM 262 CG LEU A 17 -0.773 -2.623 12.919 1.00 0.00 C ATOM 263 CD1 LEU A 17 -0.736 -1.651 14.122 1.00 0.00 C ATOM 264 CD2 LEU A 17 0.135 -2.138 11.774 1.00 0.00 C ATOM 0 H LEU A 17 2.122 -3.992 13.056 1.00 0.00 H new ATOM 0 HA LEU A 17 0.311 -3.669 15.317 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.100 -4.643 12.466 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.378 -4.577 13.663 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.794 -2.627 12.538 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.966 -0.641 13.781 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.473 -1.960 14.863 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.257 -1.665 14.571 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.126 -1.112 11.512 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.176 -2.178 12.094 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.002 -2.780 10.904 1.00 0.00 H new ATOM 276 N GLY A 18 1.578 -6.545 14.407 1.00 0.00 N ATOM 277 CA GLY A 18 1.746 -7.950 14.762 1.00 0.00 C ATOM 278 C GLY A 18 0.597 -8.831 14.290 1.00 0.00 C ATOM 279 O GLY A 18 0.680 -9.453 13.231 1.00 0.00 O ATOM 0 H GLY A 18 2.255 -6.210 13.721 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.677 -8.318 14.331 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.840 -8.036 15.845 1.00 0.00 H new ATOM 283 N GLU A 19 -0.480 -8.880 15.089 1.00 0.00 N ATOM 284 CA GLU A 19 -1.681 -9.675 14.790 1.00 0.00 C ATOM 285 C GLU A 19 -2.801 -8.788 14.206 1.00 0.00 C ATOM 286 O GLU A 19 -3.650 -9.273 13.450 1.00 0.00 O ATOM 287 CB GLU A 19 -2.154 -10.407 16.076 1.00 0.00 C ATOM 288 CG GLU A 19 -3.273 -11.450 15.870 1.00 0.00 C ATOM 289 CD GLU A 19 -2.880 -12.587 14.900 1.00 0.00 C ATOM 290 OE1 GLU A 19 -2.296 -13.599 15.350 1.00 0.00 O ATOM 291 OE2 GLU A 19 -3.145 -12.478 13.675 1.00 0.00 O ATOM 0 H GLU A 19 -0.542 -8.365 15.967 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.434 -10.421 14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.295 -10.904 16.527 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.502 -9.662 16.791 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.540 -11.881 16.835 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.162 -10.948 15.489 1.00 0.00 H new ATOM 298 N ARG A 20 -2.774 -7.474 14.538 1.00 0.00 N ATOM 299 CA ARG A 20 -3.835 -6.511 14.139 1.00 0.00 C ATOM 300 C ARG A 20 -3.856 -6.310 12.603 1.00 0.00 C ATOM 301 O ARG A 20 -4.906 -6.038 12.018 1.00 0.00 O ATOM 302 CB ARG A 20 -3.664 -5.161 14.919 1.00 0.00 C ATOM 303 CG ARG A 20 -4.954 -4.299 15.078 1.00 0.00 C ATOM 304 CD ARG A 20 -5.337 -3.483 13.828 1.00 0.00 C ATOM 305 NE ARG A 20 -6.657 -2.842 13.985 1.00 0.00 N ATOM 306 CZ ARG A 20 -6.916 -1.526 13.880 1.00 0.00 C ATOM 307 NH1 ARG A 20 -5.937 -0.654 13.688 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.161 -1.096 14.011 1.00 0.00 N ATOM 0 H ARG A 20 -2.024 -7.053 15.085 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.807 -6.923 14.410 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.275 -5.384 15.912 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.910 -4.562 14.408 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.785 -4.956 15.336 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.817 -3.614 15.915 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.580 -2.720 13.644 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.350 -4.136 12.955 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.446 -3.454 14.192 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.972 -0.978 13.618 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.148 0.341 13.610 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.914 -1.760 14.190 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.367 -0.100 13.933 1.00 0.00 H new ATOM 322 N LYS A 21 -2.693 -6.490 11.967 1.00 0.00 N ATOM 323 CA LYS A 21 -2.563 -6.467 10.496 1.00 0.00 C ATOM 324 C LYS A 21 -3.457 -7.546 9.833 1.00 0.00 C ATOM 325 O LYS A 21 -4.019 -7.339 8.765 1.00 0.00 O ATOM 326 CB LYS A 21 -1.091 -6.703 10.102 1.00 0.00 C ATOM 327 CG LYS A 21 -0.549 -8.072 10.540 1.00 0.00 C ATOM 328 CD LYS A 21 0.776 -8.477 9.864 1.00 0.00 C ATOM 329 CE LYS A 21 0.976 -9.990 9.929 1.00 0.00 C ATOM 330 NZ LYS A 21 2.301 -10.426 9.428 1.00 0.00 N ATOM 0 H LYS A 21 -1.812 -6.656 12.453 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.891 -5.489 10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.994 -6.613 9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.475 -5.920 10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.404 -8.063 11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.300 -8.832 10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.774 -8.150 8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.609 -7.974 10.355 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.858 -10.322 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.195 -10.479 9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.338 -11.465 9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.450 -10.051 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.046 -10.069 10.060 1.00 0.00 H new ATOM 344 N HIS A 22 -3.599 -8.676 10.530 1.00 0.00 N ATOM 345 CA HIS A 22 -4.203 -9.900 9.993 1.00 0.00 C ATOM 346 C HIS A 22 -5.726 -9.949 10.250 1.00 0.00 C ATOM 347 O HIS A 22 -6.419 -10.807 9.700 1.00 0.00 O ATOM 348 CB HIS A 22 -3.469 -11.106 10.629 1.00 0.00 C ATOM 349 CG HIS A 22 -3.831 -12.454 10.068 1.00 0.00 C ATOM 350 ND1 HIS A 22 -4.228 -13.520 10.847 1.00 0.00 N ATOM 351 CD2 HIS A 22 -3.824 -12.911 8.795 1.00 0.00 C ATOM 352 CE1 HIS A 22 -4.458 -14.560 10.074 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.216 -14.218 8.826 1.00 0.00 N ATOM 0 H HIS A 22 -3.293 -8.769 11.499 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.088 -9.928 8.909 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.395 -10.959 10.511 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.674 -11.110 11.700 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -4.328 -13.505 11.862 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.557 -12.345 7.915 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.790 -15.532 10.408 1.00 0.00 H new ATOM 362 N THR A 23 -6.240 -9.024 11.090 1.00 0.00 N ATOM 363 CA THR A 23 -7.693 -8.926 11.384 1.00 0.00 C ATOM 364 C THR A 23 -8.374 -7.842 10.520 1.00 0.00 C ATOM 365 O THR A 23 -9.604 -7.724 10.528 1.00 0.00 O ATOM 366 CB THR A 23 -7.971 -8.665 12.910 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.378 -8.796 13.199 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.490 -7.278 13.380 1.00 0.00 C ATOM 0 H THR A 23 -5.672 -8.332 11.579 1.00 0.00 H new ATOM 0 HA THR A 23 -8.127 -9.892 11.127 1.00 0.00 H new ATOM 0 HB THR A 23 -7.401 -9.418 13.454 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.900 -8.490 12.428 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.709 -7.157 14.441 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.415 -7.192 13.220 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.005 -6.503 12.812 1.00 0.00 H new ATOM 376 N LEU A 24 -7.583 -7.063 9.764 1.00 0.00 N ATOM 377 CA LEU A 24 -8.115 -6.018 8.864 1.00 0.00 C ATOM 378 C LEU A 24 -8.071 -6.517 7.410 1.00 0.00 C ATOM 379 O LEU A 24 -7.173 -7.280 7.031 1.00 0.00 O ATOM 380 CB LEU A 24 -7.357 -4.660 9.072 1.00 0.00 C ATOM 381 CG LEU A 24 -5.799 -4.627 8.851 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.417 -4.491 7.358 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.132 -3.510 9.689 1.00 0.00 C ATOM 0 H LEU A 24 -6.566 -7.136 9.756 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.159 -5.819 9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.802 -3.926 8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.555 -4.323 10.090 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.419 -5.588 9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.332 -4.473 7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.817 -5.338 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.833 -3.566 6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.056 -3.516 9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.542 -2.543 9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.327 -3.684 10.747 1.00 0.00 H new ATOM 395 N THR A 25 -9.043 -6.076 6.603 1.00 0.00 N ATOM 396 CA THR A 25 -9.214 -6.524 5.208 1.00 0.00 C ATOM 397 C THR A 25 -8.956 -5.363 4.229 1.00 0.00 C ATOM 398 O THR A 25 -8.508 -4.291 4.646 1.00 0.00 O ATOM 399 CB THR A 25 -10.652 -7.105 5.002 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.631 -6.128 5.388 1.00 0.00 O ATOM 401 CG2 THR A 25 -10.884 -8.413 5.787 1.00 0.00 C ATOM 0 H THR A 25 -9.741 -5.393 6.898 1.00 0.00 H new ATOM 0 HA THR A 25 -8.486 -7.309 5.004 1.00 0.00 H new ATOM 0 HB THR A 25 -10.753 -7.343 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.530 -6.496 5.256 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.898 -8.771 5.607 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.169 -9.167 5.457 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.749 -8.227 6.852 1.00 0.00 H new ATOM 409 N ALA A 26 -9.228 -5.591 2.926 1.00 0.00 N ATOM 410 CA ALA A 26 -8.998 -4.597 1.867 1.00 0.00 C ATOM 411 C ALA A 26 -9.826 -3.322 2.096 1.00 0.00 C ATOM 412 O ALA A 26 -9.281 -2.219 2.171 1.00 0.00 O ATOM 413 CB ALA A 26 -9.302 -5.200 0.494 1.00 0.00 C ATOM 0 H ALA A 26 -9.613 -6.471 2.583 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.946 -4.314 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.127 -4.452 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.653 -6.058 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.343 -5.520 0.460 1.00 0.00 H new ATOM 419 N SER A 27 -11.142 -3.492 2.268 1.00 0.00 N ATOM 420 CA SER A 27 -12.074 -2.367 2.486 1.00 0.00 C ATOM 421 C SER A 27 -11.883 -1.691 3.871 1.00 0.00 C ATOM 422 O SER A 27 -12.526 -0.672 4.156 1.00 0.00 O ATOM 423 CB SER A 27 -13.521 -2.859 2.307 1.00 0.00 C ATOM 424 OG SER A 27 -13.724 -3.381 1.006 1.00 0.00 O ATOM 0 H SER A 27 -11.594 -4.406 2.261 1.00 0.00 H new ATOM 0 HA SER A 27 -11.853 -1.602 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.742 -3.626 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.213 -2.036 2.484 1.00 0.00 H new ATOM 0 HG SER A 27 -14.650 -3.689 0.918 1.00 0.00 H new ATOM 430 N SER A 28 -11.004 -2.265 4.720 1.00 0.00 N ATOM 431 CA SER A 28 -10.647 -1.667 6.013 1.00 0.00 C ATOM 432 C SER A 28 -9.651 -0.519 5.813 1.00 0.00 C ATOM 433 O SER A 28 -8.815 -0.553 4.905 1.00 0.00 O ATOM 434 CB SER A 28 -10.044 -2.714 6.961 1.00 0.00 C ATOM 435 OG SER A 28 -9.762 -2.159 8.238 1.00 0.00 O ATOM 0 H SER A 28 -10.529 -3.147 4.526 1.00 0.00 H new ATOM 0 HA SER A 28 -11.561 -1.278 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.736 -3.549 7.071 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.128 -3.115 6.527 1.00 0.00 H new ATOM 0 HG SER A 28 -9.690 -2.879 8.899 1.00 0.00 H new ATOM 441 N VAL A 29 -9.720 0.448 6.723 1.00 0.00 N ATOM 442 CA VAL A 29 -8.955 1.690 6.662 1.00 0.00 C ATOM 443 C VAL A 29 -7.546 1.467 7.239 1.00 0.00 C ATOM 444 O VAL A 29 -7.345 0.572 8.071 1.00 0.00 O ATOM 445 CB VAL A 29 -9.737 2.804 7.460 1.00 0.00 C ATOM 446 CG1 VAL A 29 -8.984 4.147 7.523 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.155 3.001 6.877 1.00 0.00 C ATOM 0 H VAL A 29 -10.324 0.389 7.543 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.838 2.015 5.628 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.819 2.447 8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.575 4.870 8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.023 4.002 8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.820 4.520 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.677 3.773 7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.080 3.304 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.710 2.065 6.945 1.00 0.00 H new ATOM 457 N LEU A 30 -6.566 2.247 6.759 1.00 0.00 N ATOM 458 CA LEU A 30 -5.199 2.247 7.307 1.00 0.00 C ATOM 459 C LEU A 30 -4.897 3.612 7.937 1.00 0.00 C ATOM 460 O LEU A 30 -4.645 3.700 9.138 1.00 0.00 O ATOM 461 CB LEU A 30 -4.167 1.883 6.209 1.00 0.00 C ATOM 462 CG LEU A 30 -4.341 0.468 5.563 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.310 0.247 4.446 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.268 -0.666 6.620 1.00 0.00 C ATOM 0 H LEU A 30 -6.697 2.895 5.982 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.123 1.486 8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.223 2.633 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.167 1.946 6.639 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.337 0.433 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.450 -0.743 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.443 1.004 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.304 0.323 4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.394 -1.631 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.299 -0.637 7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.060 -0.528 7.356 1.00 0.00 H new ATOM 476 N LEU A 31 -4.910 4.672 7.116 1.00 0.00 N ATOM 477 CA LEU A 31 -4.711 6.056 7.588 1.00 0.00 C ATOM 478 C LEU A 31 -5.895 6.462 8.502 1.00 0.00 C ATOM 479 O LEU A 31 -7.021 6.631 8.028 1.00 0.00 O ATOM 480 CB LEU A 31 -4.559 7.013 6.352 1.00 0.00 C ATOM 481 CG LEU A 31 -3.731 8.331 6.565 1.00 0.00 C ATOM 482 CD1 LEU A 31 -3.368 8.981 5.216 1.00 0.00 C ATOM 483 CD2 LEU A 31 -4.446 9.343 7.484 1.00 0.00 C ATOM 0 H LEU A 31 -5.058 4.598 6.109 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.797 6.132 8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.095 6.449 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.557 7.292 6.015 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.811 8.040 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.795 9.891 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.771 8.286 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.281 9.227 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.828 10.234 7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.405 9.619 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.612 8.892 8.462 1.00 0.00 H new ATOM 495 N GLY A 32 -5.617 6.611 9.807 1.00 0.00 N ATOM 496 CA GLY A 32 -6.648 6.928 10.806 1.00 0.00 C ATOM 497 C GLY A 32 -7.025 5.722 11.659 1.00 0.00 C ATOM 498 O GLY A 32 -7.230 5.857 12.873 1.00 0.00 O ATOM 0 H GLY A 32 -4.679 6.516 10.196 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.289 7.728 11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.537 7.303 10.299 1.00 0.00 H new ATOM 502 N ASN A 33 -7.135 4.540 11.022 1.00 0.00 N ATOM 503 CA ASN A 33 -7.506 3.283 11.722 1.00 0.00 C ATOM 504 C ASN A 33 -6.303 2.720 12.492 1.00 0.00 C ATOM 505 O ASN A 33 -6.440 2.218 13.612 1.00 0.00 O ATOM 506 CB ASN A 33 -8.032 2.231 10.714 1.00 0.00 C ATOM 507 CG ASN A 33 -8.602 0.962 11.367 1.00 0.00 C ATOM 508 OD1 ASN A 33 -9.152 1.010 12.464 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.485 -0.177 10.696 1.00 0.00 N ATOM 0 H ASN A 33 -6.973 4.424 10.022 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.300 3.512 12.432 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.807 2.689 10.099 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.220 1.948 10.044 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.857 -1.041 11.090 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.023 -0.188 9.787 1.00 0.00 H new ATOM 516 N ILE A 34 -5.126 2.793 11.860 1.00 0.00 N ATOM 517 CA ILE A 34 -3.857 2.403 12.478 1.00 0.00 C ATOM 518 C ILE A 34 -3.323 3.599 13.292 1.00 0.00 C ATOM 519 O ILE A 34 -3.104 4.678 12.715 1.00 0.00 O ATOM 520 CB ILE A 34 -2.773 1.978 11.412 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.327 0.896 10.427 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.481 1.483 12.101 1.00 0.00 C ATOM 523 CD1 ILE A 34 -3.791 -0.402 11.075 1.00 0.00 C ATOM 0 H ILE A 34 -5.028 3.126 10.901 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.043 1.538 13.115 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.529 2.864 10.826 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.163 1.326 9.875 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.551 0.661 9.698 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.751 1.197 11.343 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.069 2.281 12.718 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.710 0.621 12.728 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.156 -1.083 10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.956 -0.864 11.602 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.593 -0.189 11.782 1.00 0.00 H new ATOM 535 N PRO A 35 -3.091 3.432 14.633 1.00 0.00 N ATOM 536 CA PRO A 35 -2.559 4.516 15.494 1.00 0.00 C ATOM 537 C PRO A 35 -1.077 4.820 15.197 1.00 0.00 C ATOM 538 O PRO A 35 -0.568 5.887 15.545 1.00 0.00 O ATOM 539 CB PRO A 35 -2.750 3.950 16.927 1.00 0.00 C ATOM 540 CG PRO A 35 -2.700 2.460 16.763 1.00 0.00 C ATOM 541 CD PRO A 35 -3.310 2.175 15.406 1.00 0.00 C ATOM 0 HA PRO A 35 -3.067 5.467 15.335 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.966 4.300 17.598 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.701 4.269 17.354 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.674 2.095 16.815 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.257 1.960 17.555 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.830 1.323 14.925 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.371 1.938 15.488 1.00 0.00 H new ATOM 549 N GLU A 36 -0.417 3.869 14.518 1.00 0.00 N ATOM 550 CA GLU A 36 1.032 3.889 14.275 1.00 0.00 C ATOM 551 C GLU A 36 1.365 4.533 12.915 1.00 0.00 C ATOM 552 O GLU A 36 2.525 4.853 12.643 1.00 0.00 O ATOM 553 CB GLU A 36 1.561 2.432 14.328 1.00 0.00 C ATOM 554 CG GLU A 36 1.099 1.605 15.554 1.00 0.00 C ATOM 555 CD GLU A 36 1.478 2.231 16.906 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.666 2.216 17.263 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.588 2.725 17.633 1.00 0.00 O ATOM 0 H GLU A 36 -0.882 3.054 14.117 1.00 0.00 H new ATOM 0 HA GLU A 36 1.515 4.492 15.044 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.245 1.915 13.422 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.651 2.458 14.317 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.017 1.484 15.511 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.534 0.607 15.492 1.00 0.00 H new ATOM 564 N LEU A 37 0.323 4.721 12.078 1.00 0.00 N ATOM 565 CA LEU A 37 0.455 5.281 10.724 1.00 0.00 C ATOM 566 C LEU A 37 0.641 6.814 10.862 1.00 0.00 C ATOM 567 O LEU A 37 -0.339 7.557 11.008 1.00 0.00 O ATOM 568 CB LEU A 37 -0.817 4.888 9.886 1.00 0.00 C ATOM 569 CG LEU A 37 -0.787 5.076 8.320 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.865 6.557 7.897 1.00 0.00 C ATOM 571 CD2 LEU A 37 0.442 4.379 7.689 1.00 0.00 C ATOM 0 H LEU A 37 -0.638 4.486 12.328 1.00 0.00 H new ATOM 0 HA LEU A 37 1.320 4.883 10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.033 3.839 10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.657 5.466 10.271 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.685 4.592 7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.840 6.627 6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.793 6.993 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.017 7.100 8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.431 4.529 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.355 4.805 8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.407 3.312 7.908 1.00 0.00 H new ATOM 583 N ASP A 38 1.911 7.261 10.867 1.00 0.00 N ATOM 584 CA ASP A 38 2.302 8.669 11.160 1.00 0.00 C ATOM 585 C ASP A 38 3.316 9.178 10.083 1.00 0.00 C ATOM 586 O ASP A 38 3.508 8.515 9.076 1.00 0.00 O ATOM 587 CB ASP A 38 2.884 8.704 12.614 1.00 0.00 C ATOM 588 CG ASP A 38 2.998 10.114 13.223 1.00 0.00 C ATOM 589 OD1 ASP A 38 1.953 10.708 13.542 1.00 0.00 O ATOM 590 OD2 ASP A 38 4.125 10.642 13.360 1.00 0.00 O ATOM 0 H ASP A 38 2.708 6.656 10.667 1.00 0.00 H new ATOM 0 HA ASP A 38 1.447 9.343 11.111 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.252 8.093 13.259 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.872 8.244 12.607 1.00 0.00 H new ATOM 595 N SER A 39 3.954 10.350 10.317 1.00 0.00 N ATOM 596 CA SER A 39 4.793 11.098 9.343 1.00 0.00 C ATOM 597 C SER A 39 5.976 10.275 8.736 1.00 0.00 C ATOM 598 O SER A 39 5.917 9.832 7.572 1.00 0.00 O ATOM 599 CB SER A 39 5.313 12.338 10.111 1.00 0.00 C ATOM 600 OG SER A 39 6.118 13.200 9.315 1.00 0.00 O ATOM 0 H SER A 39 3.898 10.819 11.221 1.00 0.00 H new ATOM 0 HA SER A 39 4.190 11.359 8.473 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.462 12.901 10.496 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.892 12.006 10.973 1.00 0.00 H new ATOM 0 HG SER A 39 6.413 13.963 9.855 1.00 0.00 H new ATOM 605 N MET A 40 7.028 10.013 9.526 1.00 0.00 N ATOM 606 CA MET A 40 8.182 9.214 9.049 1.00 0.00 C ATOM 607 C MET A 40 7.790 7.735 8.875 1.00 0.00 C ATOM 608 O MET A 40 8.443 6.990 8.143 1.00 0.00 O ATOM 609 CB MET A 40 9.378 9.353 10.012 1.00 0.00 C ATOM 610 CG MET A 40 10.018 10.750 10.041 1.00 0.00 C ATOM 611 SD MET A 40 10.817 11.176 8.477 1.00 0.00 S ATOM 612 CE MET A 40 11.516 12.785 8.844 1.00 0.00 C ATOM 0 H MET A 40 7.110 10.336 10.490 1.00 0.00 H new ATOM 0 HA MET A 40 8.483 9.601 8.075 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.048 9.098 11.019 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.139 8.625 9.732 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.253 11.492 10.269 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.753 10.793 10.845 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.037 13.164 7.965 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.718 13.475 9.118 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.219 12.696 9.673 1.00 0.00 H new ATOM 622 N ALA A 41 6.711 7.343 9.562 1.00 0.00 N ATOM 623 CA ALA A 41 6.145 6.000 9.486 1.00 0.00 C ATOM 624 C ALA A 41 5.511 5.706 8.105 1.00 0.00 C ATOM 625 O ALA A 41 5.585 4.560 7.638 1.00 0.00 O ATOM 626 CB ALA A 41 5.140 5.816 10.620 1.00 0.00 C ATOM 0 H ALA A 41 6.203 7.962 10.194 1.00 0.00 H new ATOM 0 HA ALA A 41 6.952 5.277 9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.713 4.814 10.569 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.644 5.947 11.578 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.344 6.555 10.524 1.00 0.00 H new ATOM 632 N VAL A 42 4.893 6.737 7.444 1.00 0.00 N ATOM 633 CA VAL A 42 4.379 6.571 6.064 1.00 0.00 C ATOM 634 C VAL A 42 5.547 6.461 5.092 1.00 0.00 C ATOM 635 O VAL A 42 5.496 5.659 4.165 1.00 0.00 O ATOM 636 CB VAL A 42 3.365 7.674 5.538 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.076 7.698 6.367 1.00 0.00 C ATOM 638 CG2 VAL A 42 3.987 9.089 5.441 1.00 0.00 C ATOM 0 H VAL A 42 4.747 7.665 7.842 1.00 0.00 H new ATOM 0 HA VAL A 42 3.788 5.657 6.111 1.00 0.00 H new ATOM 0 HB VAL A 42 3.114 7.379 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.407 8.465 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.587 6.726 6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.316 7.920 7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.238 9.791 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.329 9.404 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.832 9.069 4.753 1.00 0.00 H new ATOM 648 N VAL A 43 6.619 7.242 5.337 1.00 0.00 N ATOM 649 CA VAL A 43 7.840 7.158 4.499 1.00 0.00 C ATOM 650 C VAL A 43 8.423 5.732 4.551 1.00 0.00 C ATOM 651 O VAL A 43 8.789 5.147 3.524 1.00 0.00 O ATOM 652 CB VAL A 43 8.936 8.178 4.962 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.119 8.248 3.967 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.317 9.554 5.200 1.00 0.00 C ATOM 0 H VAL A 43 6.668 7.926 6.092 1.00 0.00 H new ATOM 0 HA VAL A 43 7.550 7.406 3.478 1.00 0.00 H new ATOM 0 HB VAL A 43 9.347 7.822 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.855 8.967 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.583 7.265 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.754 8.561 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.091 10.251 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.865 9.914 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.552 9.480 5.973 1.00 0.00 H new ATOM 664 N ASN A 44 8.442 5.196 5.774 1.00 0.00 N ATOM 665 CA ASN A 44 9.023 3.892 6.097 1.00 0.00 C ATOM 666 C ASN A 44 8.265 2.745 5.393 1.00 0.00 C ATOM 667 O ASN A 44 8.896 1.858 4.803 1.00 0.00 O ATOM 668 CB ASN A 44 9.021 3.706 7.640 1.00 0.00 C ATOM 669 CG ASN A 44 10.002 2.648 8.161 1.00 0.00 C ATOM 670 OD1 ASN A 44 10.353 1.699 7.469 1.00 0.00 O ATOM 671 ND2 ASN A 44 10.413 2.788 9.413 1.00 0.00 N ATOM 0 H ASN A 44 8.044 5.669 6.586 1.00 0.00 H new ATOM 0 HA ASN A 44 10.049 3.859 5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.257 4.662 8.108 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.014 3.436 7.958 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.038 2.095 9.825 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.104 3.588 9.965 1.00 0.00 H new ATOM 678 N VAL A 45 6.913 2.780 5.446 1.00 0.00 N ATOM 679 CA VAL A 45 6.078 1.739 4.812 1.00 0.00 C ATOM 680 C VAL A 45 6.161 1.806 3.274 1.00 0.00 C ATOM 681 O VAL A 45 6.115 0.762 2.632 1.00 0.00 O ATOM 682 CB VAL A 45 4.573 1.764 5.277 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.443 1.434 6.777 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.892 3.101 4.958 1.00 0.00 C ATOM 0 H VAL A 45 6.383 3.513 5.918 1.00 0.00 H new ATOM 0 HA VAL A 45 6.495 0.791 5.151 1.00 0.00 H new ATOM 0 HB VAL A 45 4.057 0.989 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.392 1.460 7.065 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.847 0.440 6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.998 2.169 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.856 3.072 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.418 3.908 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.917 3.275 3.882 1.00 0.00 H new ATOM 694 N ILE A 46 6.309 3.033 2.693 1.00 0.00 N ATOM 695 CA ILE A 46 6.488 3.204 1.228 1.00 0.00 C ATOM 696 C ILE A 46 7.753 2.475 0.787 1.00 0.00 C ATOM 697 O ILE A 46 7.702 1.631 -0.107 1.00 0.00 O ATOM 698 CB ILE A 46 6.599 4.716 0.788 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.306 5.504 1.146 1.00 0.00 C ATOM 700 CG2 ILE A 46 6.910 4.845 -0.734 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.447 7.010 1.072 1.00 0.00 C ATOM 0 H ILE A 46 6.307 3.908 3.216 1.00 0.00 H new ATOM 0 HA ILE A 46 5.600 2.788 0.752 1.00 0.00 H new ATOM 0 HB ILE A 46 7.430 5.153 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.508 5.193 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.996 5.230 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.980 5.899 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.856 4.351 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.112 4.376 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.499 7.478 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.220 7.338 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.724 7.300 0.058 1.00 0.00 H new ATOM 713 N THR A 47 8.864 2.787 1.484 1.00 0.00 N ATOM 714 CA THR A 47 10.187 2.200 1.223 1.00 0.00 C ATOM 715 C THR A 47 10.104 0.666 1.259 1.00 0.00 C ATOM 716 O THR A 47 10.599 -0.009 0.363 1.00 0.00 O ATOM 717 CB THR A 47 11.227 2.694 2.282 1.00 0.00 C ATOM 718 OG1 THR A 47 11.235 4.126 2.313 1.00 0.00 O ATOM 719 CG2 THR A 47 12.656 2.186 2.008 1.00 0.00 C ATOM 0 H THR A 47 8.865 3.460 2.250 1.00 0.00 H new ATOM 0 HA THR A 47 10.513 2.520 0.233 1.00 0.00 H new ATOM 0 HB THR A 47 10.918 2.285 3.244 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.451 4.447 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.330 2.563 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.664 1.096 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.987 2.539 1.031 1.00 0.00 H new ATOM 727 N ALA A 48 9.424 0.151 2.300 1.00 0.00 N ATOM 728 CA ALA A 48 9.200 -1.287 2.507 1.00 0.00 C ATOM 729 C ALA A 48 8.421 -1.936 1.331 1.00 0.00 C ATOM 730 O ALA A 48 8.790 -3.019 0.879 1.00 0.00 O ATOM 731 CB ALA A 48 8.482 -1.484 3.841 1.00 0.00 C ATOM 0 H ALA A 48 9.010 0.732 3.029 1.00 0.00 H new ATOM 0 HA ALA A 48 10.164 -1.795 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.309 -2.547 4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.097 -1.086 4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.526 -0.960 3.821 1.00 0.00 H new ATOM 737 N LEU A 49 7.367 -1.246 0.831 1.00 0.00 N ATOM 738 CA LEU A 49 6.591 -1.687 -0.362 1.00 0.00 C ATOM 739 C LEU A 49 7.537 -1.882 -1.574 1.00 0.00 C ATOM 740 O LEU A 49 7.486 -2.922 -2.255 1.00 0.00 O ATOM 741 CB LEU A 49 5.443 -0.657 -0.699 1.00 0.00 C ATOM 742 CG LEU A 49 4.004 -0.973 -0.149 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.438 -2.258 -0.772 1.00 0.00 C ATOM 744 CD2 LEU A 49 3.964 -1.047 1.390 1.00 0.00 C ATOM 0 H LEU A 49 7.030 -0.373 1.238 1.00 0.00 H new ATOM 0 HA LEU A 49 6.121 -2.644 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.743 0.319 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.377 -0.568 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 49 3.369 -0.139 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.442 -2.449 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.377 -2.142 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.092 -3.097 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.948 -1.267 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.635 -1.834 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.281 -0.092 1.809 1.00 0.00 H new ATOM 756 N GLU A 50 8.419 -0.877 -1.787 1.00 0.00 N ATOM 757 CA GLU A 50 9.424 -0.876 -2.875 1.00 0.00 C ATOM 758 C GLU A 50 10.324 -2.122 -2.780 1.00 0.00 C ATOM 759 O GLU A 50 10.564 -2.798 -3.786 1.00 0.00 O ATOM 760 CB GLU A 50 10.308 0.415 -2.818 1.00 0.00 C ATOM 761 CG GLU A 50 9.541 1.745 -2.640 1.00 0.00 C ATOM 762 CD GLU A 50 8.668 2.159 -3.830 1.00 0.00 C ATOM 763 OE1 GLU A 50 7.619 1.526 -4.067 1.00 0.00 O ATOM 764 OE2 GLU A 50 9.022 3.139 -4.529 1.00 0.00 O ATOM 0 H GLU A 50 8.453 -0.040 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 50 8.888 -0.893 -3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.016 0.312 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.892 0.474 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.908 1.666 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.262 2.539 -2.445 1.00 0.00 H new ATOM 771 N GLU A 51 10.790 -2.408 -1.540 1.00 0.00 N ATOM 772 CA GLU A 51 11.699 -3.535 -1.242 1.00 0.00 C ATOM 773 C GLU A 51 11.068 -4.887 -1.647 1.00 0.00 C ATOM 774 O GLU A 51 11.549 -5.550 -2.570 1.00 0.00 O ATOM 775 CB GLU A 51 12.053 -3.571 0.278 1.00 0.00 C ATOM 776 CG GLU A 51 12.680 -2.288 0.869 1.00 0.00 C ATOM 777 CD GLU A 51 14.052 -1.903 0.300 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.935 -2.777 0.196 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.268 -0.719 -0.018 1.00 0.00 O ATOM 0 H GLU A 51 10.543 -1.859 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 51 12.608 -3.381 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.143 -3.794 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.742 -4.398 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.992 -1.459 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.775 -2.414 1.947 1.00 0.00 H new ATOM 786 N TYR A 52 9.952 -5.238 -0.972 1.00 0.00 N ATOM 787 CA TYR A 52 9.329 -6.579 -1.057 1.00 0.00 C ATOM 788 C TYR A 52 8.742 -6.874 -2.447 1.00 0.00 C ATOM 789 O TYR A 52 8.801 -8.017 -2.908 1.00 0.00 O ATOM 790 CB TYR A 52 8.237 -6.737 0.033 1.00 0.00 C ATOM 791 CG TYR A 52 8.797 -6.856 1.462 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.113 -8.102 2.011 1.00 0.00 C ATOM 793 CD2 TYR A 52 9.015 -5.730 2.255 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.626 -8.211 3.285 1.00 0.00 C ATOM 795 CE2 TYR A 52 9.528 -5.836 3.532 1.00 0.00 C ATOM 796 CZ TYR A 52 9.831 -7.077 4.041 1.00 0.00 C ATOM 797 OH TYR A 52 10.352 -7.188 5.315 1.00 0.00 O ATOM 0 H TYR A 52 9.456 -4.599 -0.351 1.00 0.00 H new ATOM 0 HA TYR A 52 10.121 -7.308 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.564 -5.881 -0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.641 -7.623 -0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.952 -8.995 1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.777 -4.753 1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.867 -9.183 3.690 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.690 -4.950 4.128 1.00 0.00 H new ATOM 0 HH TYR A 52 10.436 -6.296 5.713 1.00 0.00 H new ATOM 807 N PHE A 53 8.151 -5.858 -3.098 1.00 0.00 N ATOM 808 CA PHE A 53 7.551 -6.032 -4.443 1.00 0.00 C ATOM 809 C PHE A 53 8.562 -5.717 -5.567 1.00 0.00 C ATOM 810 O PHE A 53 8.237 -5.907 -6.746 1.00 0.00 O ATOM 811 CB PHE A 53 6.274 -5.180 -4.589 1.00 0.00 C ATOM 812 CG PHE A 53 5.125 -5.562 -3.653 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.171 -5.253 -2.291 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.000 -6.221 -4.131 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.128 -5.595 -1.449 1.00 0.00 C ATOM 816 CE2 PHE A 53 2.964 -6.554 -3.284 1.00 0.00 C ATOM 817 CZ PHE A 53 3.024 -6.242 -1.948 1.00 0.00 C ATOM 0 H PHE A 53 8.073 -4.913 -2.723 1.00 0.00 H new ATOM 0 HA PHE A 53 7.273 -7.081 -4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.532 -4.135 -4.414 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.923 -5.254 -5.618 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.033 -4.740 -1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.936 -6.476 -5.179 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.182 -5.353 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.097 -7.065 -3.675 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.207 -6.504 -1.293 1.00 0.00 H new ATOM 827 N ASP A 54 9.770 -5.218 -5.186 1.00 0.00 N ATOM 828 CA ASP A 54 10.943 -5.071 -6.095 1.00 0.00 C ATOM 829 C ASP A 54 10.658 -4.081 -7.245 1.00 0.00 C ATOM 830 O ASP A 54 11.179 -4.216 -8.362 1.00 0.00 O ATOM 831 CB ASP A 54 11.404 -6.460 -6.634 1.00 0.00 C ATOM 832 CG ASP A 54 11.884 -7.417 -5.522 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.091 -7.418 -5.186 1.00 0.00 O ATOM 834 OD2 ASP A 54 11.056 -8.175 -4.975 1.00 0.00 O ATOM 0 H ASP A 54 9.959 -4.904 -4.234 1.00 0.00 H new ATOM 0 HA ASP A 54 11.762 -4.649 -5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.579 -6.925 -7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.211 -6.314 -7.352 1.00 0.00 H new ATOM 839 N PHE A 55 9.871 -3.047 -6.929 1.00 0.00 N ATOM 840 CA PHE A 55 9.394 -2.046 -7.912 1.00 0.00 C ATOM 841 C PHE A 55 9.550 -0.637 -7.322 1.00 0.00 C ATOM 842 O PHE A 55 10.144 -0.468 -6.251 1.00 0.00 O ATOM 843 CB PHE A 55 7.899 -2.334 -8.292 1.00 0.00 C ATOM 844 CG PHE A 55 6.838 -1.903 -7.258 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.020 -2.116 -5.890 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.659 -1.282 -7.665 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.067 -1.730 -4.978 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.710 -0.905 -6.745 1.00 0.00 C ATOM 849 CZ PHE A 55 4.917 -1.130 -5.404 1.00 0.00 C ATOM 0 H PHE A 55 9.540 -2.873 -5.980 1.00 0.00 H new ATOM 0 HA PHE A 55 9.991 -2.112 -8.821 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.682 -1.832 -9.235 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.790 -3.404 -8.469 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.925 -2.592 -5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.489 -1.095 -8.715 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.228 -1.901 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.798 -0.430 -7.076 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.168 -0.831 -4.686 1.00 0.00 H new ATOM 859 N SER A 56 9.012 0.369 -8.018 1.00 0.00 N ATOM 860 CA SER A 56 8.884 1.723 -7.471 1.00 0.00 C ATOM 861 C SER A 56 7.494 2.301 -7.785 1.00 0.00 C ATOM 862 O SER A 56 7.069 2.300 -8.945 1.00 0.00 O ATOM 863 CB SER A 56 9.996 2.637 -8.026 1.00 0.00 C ATOM 864 OG SER A 56 9.970 3.920 -7.406 1.00 0.00 O ATOM 0 H SER A 56 8.656 0.270 -8.969 1.00 0.00 H new ATOM 0 HA SER A 56 8.995 1.671 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.968 2.171 -7.862 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.874 2.749 -9.103 1.00 0.00 H new ATOM 0 HG SER A 56 9.681 3.827 -6.474 1.00 0.00 H new ATOM 870 N VAL A 57 6.779 2.762 -6.739 1.00 0.00 N ATOM 871 CA VAL A 57 5.561 3.569 -6.895 1.00 0.00 C ATOM 872 C VAL A 57 5.998 5.007 -7.247 1.00 0.00 C ATOM 873 O VAL A 57 6.910 5.549 -6.601 1.00 0.00 O ATOM 874 CB VAL A 57 4.664 3.601 -5.589 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.305 4.279 -5.854 1.00 0.00 C ATOM 876 CG2 VAL A 57 4.446 2.201 -4.994 1.00 0.00 C ATOM 0 H VAL A 57 7.032 2.584 -5.767 1.00 0.00 H new ATOM 0 HA VAL A 57 4.951 3.120 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 57 5.214 4.192 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.716 4.283 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.468 5.304 -6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.769 3.729 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.825 2.278 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.949 1.567 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.409 1.764 -4.730 1.00 0.00 H new ATOM 886 N ASP A 58 5.365 5.599 -8.268 1.00 0.00 N ATOM 887 CA ASP A 58 5.714 6.951 -8.759 1.00 0.00 C ATOM 888 C ASP A 58 5.265 8.026 -7.748 1.00 0.00 C ATOM 889 O ASP A 58 4.217 7.878 -7.121 1.00 0.00 O ATOM 890 CB ASP A 58 5.061 7.187 -10.142 1.00 0.00 C ATOM 891 CG ASP A 58 5.484 8.506 -10.797 1.00 0.00 C ATOM 892 OD1 ASP A 58 6.522 8.526 -11.493 1.00 0.00 O ATOM 893 OD2 ASP A 58 4.802 9.530 -10.603 1.00 0.00 O ATOM 0 H ASP A 58 4.599 5.162 -8.779 1.00 0.00 H new ATOM 0 HA ASP A 58 6.796 7.024 -8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.321 6.361 -10.804 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.977 7.177 -10.030 1.00 0.00 H new ATOM 898 N ASP A 59 6.064 9.098 -7.601 1.00 0.00 N ATOM 899 CA ASP A 59 5.813 10.191 -6.626 1.00 0.00 C ATOM 900 C ASP A 59 4.438 10.856 -6.841 1.00 0.00 C ATOM 901 O ASP A 59 3.709 11.123 -5.877 1.00 0.00 O ATOM 902 CB ASP A 59 6.940 11.258 -6.712 1.00 0.00 C ATOM 903 CG ASP A 59 6.818 12.364 -5.643 1.00 0.00 C ATOM 904 OD1 ASP A 59 7.275 12.156 -4.500 1.00 0.00 O ATOM 905 OD2 ASP A 59 6.258 13.443 -5.927 1.00 0.00 O ATOM 0 H ASP A 59 6.909 9.237 -8.155 1.00 0.00 H new ATOM 0 HA ASP A 59 5.810 9.744 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.906 10.765 -6.606 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.923 11.715 -7.701 1.00 0.00 H new ATOM 910 N ASP A 60 4.090 11.076 -8.120 1.00 0.00 N ATOM 911 CA ASP A 60 2.850 11.776 -8.531 1.00 0.00 C ATOM 912 C ASP A 60 1.595 10.893 -8.378 1.00 0.00 C ATOM 913 O ASP A 60 0.490 11.337 -8.699 1.00 0.00 O ATOM 914 CB ASP A 60 2.975 12.276 -9.995 1.00 0.00 C ATOM 915 CG ASP A 60 4.094 13.318 -10.194 1.00 0.00 C ATOM 916 OD1 ASP A 60 5.277 12.928 -10.337 1.00 0.00 O ATOM 917 OD2 ASP A 60 3.807 14.535 -10.201 1.00 0.00 O ATOM 0 H ASP A 60 4.662 10.773 -8.908 1.00 0.00 H new ATOM 0 HA ASP A 60 2.728 12.628 -7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.163 11.423 -10.647 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.025 12.711 -10.305 1.00 0.00 H new ATOM 922 N GLU A 61 1.758 9.649 -7.881 1.00 0.00 N ATOM 923 CA GLU A 61 0.616 8.765 -7.544 1.00 0.00 C ATOM 924 C GLU A 61 0.638 8.357 -6.051 1.00 0.00 C ATOM 925 O GLU A 61 -0.339 7.774 -5.562 1.00 0.00 O ATOM 926 CB GLU A 61 0.579 7.514 -8.461 1.00 0.00 C ATOM 927 CG GLU A 61 1.701 6.496 -8.209 1.00 0.00 C ATOM 928 CD GLU A 61 1.628 5.253 -9.099 1.00 0.00 C ATOM 929 OE1 GLU A 61 0.616 4.530 -9.040 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.576 5.000 -9.871 1.00 0.00 O ATOM 0 H GLU A 61 2.671 9.231 -7.703 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.297 9.334 -7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.381 7.015 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.631 7.841 -9.500 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.663 6.985 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.667 6.185 -7.165 1.00 0.00 H new ATOM 937 N ILE A 62 1.754 8.636 -5.332 1.00 0.00 N ATOM 938 CA ILE A 62 1.803 8.454 -3.863 1.00 0.00 C ATOM 939 C ILE A 62 1.179 9.688 -3.192 1.00 0.00 C ATOM 940 O ILE A 62 1.708 10.797 -3.308 1.00 0.00 O ATOM 941 CB ILE A 62 3.252 8.245 -3.282 1.00 0.00 C ATOM 942 CG1 ILE A 62 4.011 7.108 -4.014 1.00 0.00 C ATOM 943 CG2 ILE A 62 3.179 7.928 -1.767 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.440 6.880 -3.557 1.00 0.00 C ATOM 0 H ILE A 62 2.621 8.984 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 62 1.249 7.540 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 62 3.802 9.173 -3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.454 6.180 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.020 7.328 -5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.186 7.785 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.701 8.757 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.598 7.019 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.880 6.065 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.021 7.789 -3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.447 6.623 -2.498 1.00 0.00 H new ATOM 956 N SER A 63 0.046 9.487 -2.529 1.00 0.00 N ATOM 957 CA SER A 63 -0.666 10.536 -1.789 1.00 0.00 C ATOM 958 C SER A 63 -1.120 9.978 -0.432 1.00 0.00 C ATOM 959 O SER A 63 -0.941 8.787 -0.150 1.00 0.00 O ATOM 960 CB SER A 63 -1.875 11.016 -2.637 1.00 0.00 C ATOM 961 OG SER A 63 -2.552 12.110 -2.042 1.00 0.00 O ATOM 0 H SER A 63 -0.415 8.578 -2.486 1.00 0.00 H new ATOM 0 HA SER A 63 -0.013 11.389 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.528 11.303 -3.630 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.573 10.189 -2.770 1.00 0.00 H new ATOM 0 HG SER A 63 -3.303 12.378 -2.611 1.00 0.00 H new ATOM 967 N ALA A 64 -1.701 10.849 0.409 1.00 0.00 N ATOM 968 CA ALA A 64 -2.366 10.423 1.657 1.00 0.00 C ATOM 969 C ALA A 64 -3.590 9.550 1.326 1.00 0.00 C ATOM 970 O ALA A 64 -3.889 8.579 2.034 1.00 0.00 O ATOM 971 CB ALA A 64 -2.758 11.642 2.501 1.00 0.00 C ATOM 0 H ALA A 64 -1.725 11.856 0.249 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.671 9.825 2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.247 11.309 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.864 12.212 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.442 12.273 1.933 1.00 0.00 H new ATOM 977 N GLN A 65 -4.240 9.884 0.191 1.00 0.00 N ATOM 978 CA GLN A 65 -5.398 9.140 -0.331 1.00 0.00 C ATOM 979 C GLN A 65 -5.011 7.703 -0.744 1.00 0.00 C ATOM 980 O GLN A 65 -5.875 6.842 -0.816 1.00 0.00 O ATOM 981 CB GLN A 65 -6.029 9.885 -1.540 1.00 0.00 C ATOM 982 CG GLN A 65 -6.452 11.345 -1.270 1.00 0.00 C ATOM 983 CD GLN A 65 -7.389 11.507 -0.067 1.00 0.00 C ATOM 984 OE1 GLN A 65 -8.612 11.432 -0.196 1.00 0.00 O ATOM 985 NE2 GLN A 65 -6.819 11.756 1.100 1.00 0.00 N ATOM 0 H GLN A 65 -3.973 10.680 -0.388 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.132 9.077 0.472 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.314 9.878 -2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.904 9.327 -1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.559 11.948 -1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.945 11.741 -2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.803 11.811 1.170 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.395 11.893 1.930 1.00 0.00 H new ATOM 994 N THR A 66 -3.707 7.461 -1.006 1.00 0.00 N ATOM 995 CA THR A 66 -3.196 6.121 -1.358 1.00 0.00 C ATOM 996 C THR A 66 -3.296 5.175 -0.148 1.00 0.00 C ATOM 997 O THR A 66 -3.618 3.999 -0.304 1.00 0.00 O ATOM 998 CB THR A 66 -1.712 6.210 -1.855 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.638 7.127 -2.950 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.131 4.854 -2.296 1.00 0.00 C ATOM 0 H THR A 66 -2.987 8.183 -0.979 1.00 0.00 H new ATOM 0 HA THR A 66 -3.808 5.721 -2.167 1.00 0.00 H new ATOM 0 HB THR A 66 -1.116 6.551 -1.009 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.993 6.797 -3.610 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.102 4.990 -2.628 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.153 4.158 -1.457 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.726 4.452 -3.116 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.053 5.717 1.068 1.00 0.00 N ATOM 1009 CA PHE A 67 -3.034 4.922 2.314 1.00 0.00 C ATOM 1010 C PHE A 67 -4.375 4.960 3.047 1.00 0.00 C ATOM 1011 O PHE A 67 -4.434 4.566 4.217 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.878 5.400 3.234 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.497 5.111 2.643 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.076 5.978 1.710 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.202 3.953 2.982 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.304 5.699 1.149 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.427 3.674 2.415 1.00 0.00 C ATOM 1018 CZ PHE A 67 1.976 4.545 1.498 1.00 0.00 C ATOM 0 H PHE A 67 -2.866 6.710 1.211 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.860 3.881 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.977 6.471 3.409 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.964 4.910 4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.449 6.878 1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.222 3.265 3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.740 6.383 0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.957 2.773 2.689 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.934 4.324 1.052 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.454 5.378 2.352 1.00 0.00 N ATOM 1029 CA GLU A 68 -6.797 5.479 2.961 1.00 0.00 C ATOM 1030 C GLU A 68 -7.292 4.091 3.440 1.00 0.00 C ATOM 1031 O GLU A 68 -7.776 3.954 4.564 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.826 6.133 1.987 1.00 0.00 C ATOM 1033 CG GLU A 68 -8.160 5.322 0.721 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.275 5.940 -0.132 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -9.004 6.901 -0.885 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -10.433 5.484 -0.043 1.00 0.00 O ATOM 0 H GLU A 68 -5.421 5.651 1.370 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.713 6.131 3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.751 6.314 2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.441 7.106 1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.260 5.227 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.455 4.314 1.013 1.00 0.00 H new ATOM 1043 N THR A 69 -7.149 3.064 2.577 1.00 0.00 N ATOM 1044 CA THR A 69 -7.536 1.673 2.880 1.00 0.00 C ATOM 1045 C THR A 69 -6.486 0.693 2.332 1.00 0.00 C ATOM 1046 O THR A 69 -5.670 1.054 1.465 1.00 0.00 O ATOM 1047 CB THR A 69 -8.939 1.313 2.266 1.00 0.00 C ATOM 1048 OG1 THR A 69 -8.936 1.567 0.855 1.00 0.00 O ATOM 1049 CG2 THR A 69 -10.107 2.081 2.921 1.00 0.00 C ATOM 0 H THR A 69 -6.758 3.179 1.642 1.00 0.00 H new ATOM 0 HA THR A 69 -7.597 1.586 3.965 1.00 0.00 H new ATOM 0 HB THR A 69 -9.100 0.253 2.465 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.812 1.339 0.480 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.045 1.786 2.451 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.145 1.847 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.957 3.153 2.790 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.535 -0.555 2.831 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.637 -1.642 2.399 1.00 0.00 C ATOM 1059 C LEU A 70 -5.882 -2.003 0.923 1.00 0.00 C ATOM 1060 O LEU A 70 -4.957 -2.398 0.204 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.850 -2.881 3.299 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.913 -4.094 3.016 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.449 -3.740 3.327 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.366 -5.352 3.787 1.00 0.00 C ATOM 0 H LEU A 70 -7.202 -0.840 3.549 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.606 -1.302 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.718 -2.579 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.883 -3.211 3.192 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.982 -4.327 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.815 -4.602 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.137 -2.903 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.357 -3.464 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.690 -6.178 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.351 -5.148 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.378 -5.620 3.483 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.145 -1.829 0.500 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.576 -2.105 -0.861 1.00 0.00 C ATOM 1078 C GLY A 71 -7.024 -1.097 -1.836 1.00 0.00 C ATOM 1079 O GLY A 71 -6.783 -1.428 -2.983 1.00 0.00 O ATOM 0 H GLY A 71 -7.893 -1.490 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.252 -3.105 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.665 -2.097 -0.907 1.00 0.00 H new ATOM 1083 N SER A 72 -6.795 0.140 -1.358 1.00 0.00 N ATOM 1084 CA SER A 72 -6.161 1.194 -2.148 1.00 0.00 C ATOM 1085 C SER A 72 -4.717 0.803 -2.497 1.00 0.00 C ATOM 1086 O SER A 72 -4.367 0.787 -3.675 1.00 0.00 O ATOM 1087 CB SER A 72 -6.213 2.524 -1.382 1.00 0.00 C ATOM 1088 OG SER A 72 -7.550 2.887 -1.099 1.00 0.00 O ATOM 0 H SER A 72 -7.047 0.430 -0.413 1.00 0.00 H new ATOM 0 HA SER A 72 -6.705 1.320 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.651 2.436 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.735 3.307 -1.971 1.00 0.00 H new ATOM 0 HG SER A 72 -7.882 2.352 -0.348 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.904 0.437 -1.472 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.502 -0.007 -1.698 1.00 0.00 C ATOM 1096 C LEU A 73 -2.461 -1.238 -2.610 1.00 0.00 C ATOM 1097 O LEU A 73 -1.649 -1.302 -3.530 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.760 -0.352 -0.379 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.320 0.826 0.538 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.467 1.858 -0.230 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.522 1.480 1.228 1.00 0.00 C ATOM 0 H LEU A 73 -4.190 0.440 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.995 0.835 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.405 -1.008 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.870 -0.926 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.687 0.409 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.179 2.665 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.428 1.373 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.047 2.266 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.178 2.298 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.208 1.867 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.037 0.740 1.841 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.349 -2.206 -2.316 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.449 -3.469 -3.058 1.00 0.00 C ATOM 1115 C ALA A 74 -3.737 -3.216 -4.540 1.00 0.00 C ATOM 1116 O ALA A 74 -3.057 -3.767 -5.399 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.527 -4.359 -2.434 1.00 0.00 C ATOM 0 H ALA A 74 -4.020 -2.130 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.491 -3.985 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.594 -5.294 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.267 -4.572 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.488 -3.846 -2.469 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.711 -2.320 -4.814 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.088 -1.937 -6.184 1.00 0.00 C ATOM 1125 C LEU A 75 -3.886 -1.303 -6.896 1.00 0.00 C ATOM 1126 O LEU A 75 -3.500 -1.776 -7.962 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.327 -0.963 -6.214 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.718 -1.592 -6.585 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.670 -2.306 -7.948 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.245 -2.525 -5.484 1.00 0.00 C ATOM 0 H LEU A 75 -5.253 -1.846 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.386 -2.844 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.416 -0.498 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.114 -0.166 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.424 -0.766 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.649 -2.729 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.398 -1.591 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.929 -3.105 -7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.209 -2.936 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.537 -3.339 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.364 -1.963 -4.557 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.285 -0.266 -6.261 1.00 0.00 N ATOM 1143 CA PHE A 76 -2.174 0.516 -6.846 1.00 0.00 C ATOM 1144 C PHE A 76 -1.010 -0.383 -7.258 1.00 0.00 C ATOM 1145 O PHE A 76 -0.597 -0.343 -8.412 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.688 1.645 -5.888 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.549 2.916 -5.933 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -2.597 3.694 -7.098 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -3.303 3.335 -4.840 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -3.355 4.847 -7.149 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -4.061 4.487 -4.895 1.00 0.00 C ATOM 1152 CZ PHE A 76 -4.095 5.239 -6.052 1.00 0.00 C ATOM 0 H PHE A 76 -3.559 0.049 -5.330 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.566 0.993 -7.745 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.677 1.262 -4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.660 1.905 -6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.034 3.388 -7.967 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.295 2.748 -3.933 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.369 5.443 -8.049 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.629 4.801 -4.031 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.700 6.133 -6.099 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.525 -1.226 -6.327 1.00 0.00 N ATOM 1163 CA VAL A 77 0.602 -2.144 -6.603 1.00 0.00 C ATOM 1164 C VAL A 77 0.206 -3.200 -7.668 1.00 0.00 C ATOM 1165 O VAL A 77 1.030 -3.591 -8.492 1.00 0.00 O ATOM 1166 CB VAL A 77 1.154 -2.827 -5.287 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.607 -1.765 -4.254 1.00 0.00 C ATOM 1168 CG2 VAL A 77 0.131 -3.783 -4.653 1.00 0.00 C ATOM 0 H VAL A 77 -0.894 -1.292 -5.378 1.00 0.00 H new ATOM 0 HA VAL A 77 1.417 -1.544 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 77 2.019 -3.420 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.982 -2.264 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.398 -1.152 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.761 -1.132 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.557 -4.227 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.771 -3.230 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.119 -4.571 -5.363 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.084 -3.598 -7.691 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.608 -4.551 -8.698 1.00 0.00 C ATOM 1180 C GLU A 78 -1.792 -3.883 -10.074 1.00 0.00 C ATOM 1181 O GLU A 78 -1.891 -4.578 -11.072 1.00 0.00 O ATOM 1182 CB GLU A 78 -2.917 -5.223 -8.187 1.00 0.00 C ATOM 1183 CG GLU A 78 -2.656 -6.349 -7.158 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.903 -6.894 -6.444 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -4.725 -7.584 -7.084 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -4.045 -6.683 -5.219 1.00 0.00 O ATOM 0 H GLU A 78 -1.784 -3.275 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.868 -5.339 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.555 -4.465 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.464 -5.634 -9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.160 -7.175 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.962 -5.976 -6.405 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.849 -2.536 -10.129 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.831 -1.799 -11.415 1.00 0.00 C ATOM 1195 C HIS A 79 -0.389 -1.691 -11.928 1.00 0.00 C ATOM 1196 O HIS A 79 -0.144 -1.800 -13.129 1.00 0.00 O ATOM 1197 CB HIS A 79 -2.447 -0.384 -11.289 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.892 -0.352 -10.854 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -4.899 -1.017 -11.509 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.494 0.287 -9.824 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -6.046 -0.785 -10.910 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.827 0.003 -9.881 1.00 0.00 N ATOM 0 H HIS A 79 -1.908 -1.938 -9.305 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.441 -2.360 -12.123 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.856 0.191 -10.576 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.362 0.120 -12.252 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.006 0.910 -9.089 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.006 -1.176 -11.212 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.536 0.345 -9.233 1.00 0.00 H new ATOM 1211 N LYS A 80 0.550 -1.490 -10.983 1.00 0.00 N ATOM 1212 CA LYS A 80 1.982 -1.282 -11.271 1.00 0.00 C ATOM 1213 C LYS A 80 2.607 -2.502 -11.952 1.00 0.00 C ATOM 1214 O LYS A 80 3.137 -2.397 -13.059 1.00 0.00 O ATOM 1215 CB LYS A 80 2.757 -0.956 -9.961 1.00 0.00 C ATOM 1216 CG LYS A 80 2.344 0.362 -9.269 1.00 0.00 C ATOM 1217 CD LYS A 80 2.559 1.591 -10.160 1.00 0.00 C ATOM 1218 CE LYS A 80 4.041 1.870 -10.467 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.200 3.053 -11.347 1.00 0.00 N ATOM 0 H LYS A 80 0.333 -1.467 -9.987 1.00 0.00 H new ATOM 0 HA LYS A 80 2.057 -0.438 -11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.615 -1.777 -9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.822 -0.911 -10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.293 0.304 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.918 0.480 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.022 1.450 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.126 2.464 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.582 2.033 -9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.485 0.997 -10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.205 3.316 -11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.853 2.825 -12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.653 3.849 -10.961 1.00 0.00 H new ATOM 1233 N LEU A 81 2.530 -3.656 -11.276 1.00 0.00 N ATOM 1234 CA LEU A 81 3.144 -4.909 -11.769 1.00 0.00 C ATOM 1235 C LEU A 81 2.390 -5.485 -12.998 1.00 0.00 C ATOM 1236 O LEU A 81 2.920 -6.355 -13.693 1.00 0.00 O ATOM 1237 CB LEU A 81 3.264 -5.972 -10.627 1.00 0.00 C ATOM 1238 CG LEU A 81 4.335 -5.704 -9.491 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.704 -5.293 -10.068 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.858 -4.684 -8.436 1.00 0.00 C ATOM 0 H LEU A 81 2.048 -3.754 -10.382 1.00 0.00 H new ATOM 0 HA LEU A 81 4.152 -4.660 -12.101 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.287 -6.069 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.493 -6.934 -11.085 1.00 0.00 H new ATOM 0 HG LEU A 81 4.457 -6.658 -8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.406 -5.120 -9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.082 -6.089 -10.709 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.593 -4.379 -10.651 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.637 -4.545 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.647 -3.731 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.953 -5.055 -7.955 1.00 0.00 H new ATOM 1252 N SER A 82 1.161 -4.997 -13.259 1.00 0.00 N ATOM 1253 CA SER A 82 0.366 -5.406 -14.441 1.00 0.00 C ATOM 1254 C SER A 82 0.620 -4.474 -15.649 1.00 0.00 C ATOM 1255 O SER A 82 0.545 -4.910 -16.803 1.00 0.00 O ATOM 1256 CB SER A 82 -1.133 -5.439 -14.080 1.00 0.00 C ATOM 1257 OG SER A 82 -1.387 -6.403 -13.066 1.00 0.00 O ATOM 0 H SER A 82 0.692 -4.314 -12.664 1.00 0.00 H new ATOM 0 HA SER A 82 0.683 -6.407 -14.734 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.451 -4.454 -13.739 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.720 -5.675 -14.967 1.00 0.00 H new ATOM 0 HG SER A 82 -1.597 -5.946 -12.225 1.00 0.00 H new