USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 658 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 Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 158:sc= -0.136 (180deg=-0.642) USER MOD Single : A 4 MET CE :methyl 164:sc= -0.864 (180deg=-1.66!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -119:sc= 0.0769 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 12 ASN : amide:sc= -0.059 X(o=-0.059,f=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.611 K(o=-0.61,f=-5.2!) USER MOD Single : A 16 HIS : no HD1:sc= -5.64! C(o=-5.6!,f=-5.2!) USER MOD Single : A 18 THR OG1 : rot 92:sc= -0.962 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 26 THR OG1 : rot -130:sc= -1.72 USER MOD Single : A 28 CYS SG : rot -174:sc= -7.02! USER MOD Single : A 35 CYS SG : rot 92:sc= -8.67! USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= -0.744 (180deg=-1.76!) USER MOD Single : A 41 SER OG : rot 58:sc= 0.59 USER MOD Single : A 43 CYS SG : rot 180:sc= 0.0272 USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.0378 F(o=-1.8,f=-0.038) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 93:sc= 1.26 USER MOD Single : A 59 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 62 MET CE :methyl -139:sc= -5.64! (180deg=-10.5!) USER MOD Single : A 67 GLN : amide:sc= -0.0509 K(o=-0.051,f=-0.59) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.024) USER MOD Single : A 74 ASN : amide:sc= -0.0359 K(o=-0.036,f=-1.4) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.476 F(o=-1.3,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -14.528 1.401 -16.632 1.00 0.00 N ATOM 2 CA GLY A -2 -13.712 1.267 -17.871 1.00 0.00 C ATOM 3 C GLY A -2 -13.249 -0.155 -18.109 1.00 0.00 C ATOM 4 O GLY A -2 -13.612 -1.067 -17.366 1.00 0.00 O ATOM 0 H1 GLY A -2 -15.479 1.741 -16.878 1.00 0.00 H new ATOM 0 H2 GLY A -2 -14.602 0.476 -16.163 1.00 0.00 H new ATOM 0 H3 GLY A -2 -14.073 2.080 -15.988 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -14.298 1.603 -18.726 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -12.843 1.922 -17.803 1.00 0.00 H new ATOM 10 N GLY A -1 -12.444 -0.346 -19.150 1.00 0.00 N ATOM 11 CA GLY A -1 -11.943 -1.671 -19.467 1.00 0.00 C ATOM 12 C GLY A -1 -11.022 -1.669 -20.672 1.00 0.00 C ATOM 13 O GLY A -1 -11.045 -2.598 -21.479 1.00 0.00 O ATOM 0 H GLY A -1 -12.130 0.393 -19.779 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -11.408 -2.070 -18.605 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -12.784 -2.338 -19.657 1.00 0.00 H new ATOM 17 N SER A 0 -10.212 -0.622 -20.793 1.00 0.00 N ATOM 18 CA SER A 0 -9.280 -0.503 -21.908 1.00 0.00 C ATOM 19 C SER A 0 -7.930 0.026 -21.435 1.00 0.00 C ATOM 20 O SER A 0 -7.284 0.815 -22.124 1.00 0.00 O ATOM 21 CB SER A 0 -9.855 0.422 -22.982 1.00 0.00 C ATOM 22 OG SER A 0 -10.323 1.634 -22.416 1.00 0.00 O ATOM 0 H SER A 0 -10.182 0.155 -20.133 1.00 0.00 H new ATOM 0 HA SER A 0 -9.132 -1.496 -22.333 1.00 0.00 H new ATOM 0 HB2 SER A 0 -9.090 0.637 -23.728 1.00 0.00 H new ATOM 0 HB3 SER A 0 -10.672 -0.081 -23.499 1.00 0.00 H new ATOM 0 HG SER A 0 -10.684 2.208 -23.124 1.00 0.00 H new ATOM 28 N MET A 1 -7.507 -0.415 -20.254 1.00 0.00 N ATOM 29 CA MET A 1 -6.234 0.014 -19.690 1.00 0.00 C ATOM 30 C MET A 1 -5.585 -1.112 -18.892 1.00 0.00 C ATOM 31 O MET A 1 -6.122 -2.216 -18.808 1.00 0.00 O ATOM 32 CB MET A 1 -6.435 1.239 -18.796 1.00 0.00 C ATOM 33 CG MET A 1 -6.412 2.556 -19.556 1.00 0.00 C ATOM 34 SD MET A 1 -7.614 3.744 -18.927 1.00 0.00 S ATOM 35 CE MET A 1 -7.476 5.046 -20.149 1.00 0.00 C ATOM 0 H MET A 1 -8.028 -1.069 -19.670 1.00 0.00 H new ATOM 0 HA MET A 1 -5.571 0.279 -20.514 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.388 1.146 -18.275 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.655 1.255 -18.034 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.413 2.989 -19.495 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.613 2.366 -20.610 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.161 5.856 -19.897 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.454 5.426 -20.162 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.729 4.650 -21.133 1.00 0.00 H new ATOM 45 N MET A 2 -4.425 -0.825 -18.310 1.00 0.00 N ATOM 46 CA MET A 2 -3.702 -1.814 -17.518 1.00 0.00 C ATOM 47 C MET A 2 -3.505 -1.326 -16.084 1.00 0.00 C ATOM 48 O MET A 2 -2.478 -0.728 -15.760 1.00 0.00 O ATOM 49 CB MET A 2 -2.345 -2.116 -18.157 1.00 0.00 C ATOM 50 CG MET A 2 -1.562 -0.871 -18.542 1.00 0.00 C ATOM 51 SD MET A 2 -0.111 -1.246 -19.544 1.00 0.00 S ATOM 52 CE MET A 2 -0.883 -1.804 -21.061 1.00 0.00 C ATOM 0 H MET A 2 -3.966 0.084 -18.372 1.00 0.00 H new ATOM 0 HA MET A 2 -4.296 -2.728 -17.493 1.00 0.00 H new ATOM 0 HB2 MET A 2 -1.750 -2.709 -17.462 1.00 0.00 H new ATOM 0 HB3 MET A 2 -2.500 -2.727 -19.046 1.00 0.00 H new ATOM 0 HG2 MET A 2 -2.214 -0.192 -19.093 1.00 0.00 H new ATOM 0 HG3 MET A 2 -1.249 -0.349 -17.638 1.00 0.00 H new ATOM 0 HE1 MET A 2 -0.179 -1.701 -21.887 1.00 0.00 H new ATOM 0 HE2 MET A 2 -1.172 -2.850 -20.959 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.768 -1.201 -21.262 1.00 0.00 H new ATOM 62 N PRO A 3 -4.490 -1.575 -15.206 1.00 0.00 N ATOM 63 CA PRO A 3 -4.420 -1.157 -13.801 1.00 0.00 C ATOM 64 C PRO A 3 -3.336 -1.901 -13.028 1.00 0.00 C ATOM 65 O PRO A 3 -2.473 -2.550 -13.619 1.00 0.00 O ATOM 66 CB PRO A 3 -5.807 -1.506 -13.252 1.00 0.00 C ATOM 67 CG PRO A 3 -6.313 -2.580 -14.151 1.00 0.00 C ATOM 68 CD PRO A 3 -5.748 -2.281 -15.510 1.00 0.00 C ATOM 0 HA PRO A 3 -4.164 -0.102 -13.704 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.749 -1.850 -12.219 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.466 -0.638 -13.262 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.994 -3.563 -13.803 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.403 -2.588 -14.174 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.570 -3.192 -16.081 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.424 -1.662 -16.100 1.00 0.00 H new ATOM 76 N MET A 4 -3.390 -1.805 -11.703 1.00 0.00 N ATOM 77 CA MET A 4 -2.416 -2.471 -10.846 1.00 0.00 C ATOM 78 C MET A 4 -3.013 -2.739 -9.471 1.00 0.00 C ATOM 79 O MET A 4 -4.212 -2.558 -9.261 1.00 0.00 O ATOM 80 CB MET A 4 -1.148 -1.623 -10.709 1.00 0.00 C ATOM 81 CG MET A 4 -0.699 -0.973 -12.008 1.00 0.00 C ATOM 82 SD MET A 4 0.782 0.035 -11.803 1.00 0.00 S ATOM 83 CE MET A 4 1.413 0.053 -13.479 1.00 0.00 C ATOM 0 H MET A 4 -4.099 -1.272 -11.199 1.00 0.00 H new ATOM 0 HA MET A 4 -2.151 -3.422 -11.307 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.322 -0.845 -9.966 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.342 -2.251 -10.331 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.507 -1.748 -12.750 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.506 -0.352 -12.397 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.149 0.850 -13.582 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.882 -0.905 -13.701 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.592 0.225 -14.175 1.00 0.00 H new ATOM 93 N PHE A 5 -2.176 -3.173 -8.537 1.00 0.00 N ATOM 94 CA PHE A 5 -2.637 -3.467 -7.186 1.00 0.00 C ATOM 95 C PHE A 5 -1.505 -3.354 -6.179 1.00 0.00 C ATOM 96 O PHE A 5 -0.329 -3.366 -6.544 1.00 0.00 O ATOM 97 CB PHE A 5 -3.237 -4.874 -7.133 1.00 0.00 C ATOM 98 CG PHE A 5 -2.226 -5.968 -7.330 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.953 -6.868 -6.314 1.00 0.00 C ATOM 100 CD2 PHE A 5 -1.548 -6.092 -8.532 1.00 0.00 C ATOM 101 CE1 PHE A 5 -1.022 -7.874 -6.493 1.00 0.00 C ATOM 102 CE2 PHE A 5 -0.616 -7.096 -8.717 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.353 -7.989 -7.696 1.00 0.00 C ATOM 0 H PHE A 5 -1.179 -3.329 -8.689 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.400 -2.734 -6.924 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.728 -5.014 -6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.007 -4.960 -7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.473 -6.783 -5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.750 -5.397 -9.333 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.818 -8.570 -5.693 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.094 -7.182 -9.659 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.374 -8.775 -7.838 1.00 0.00 H new ATOM 113 N LEU A 6 -1.870 -3.235 -4.908 1.00 0.00 N ATOM 114 CA LEU A 6 -0.874 -3.109 -3.847 1.00 0.00 C ATOM 115 C LEU A 6 -1.095 -4.135 -2.730 1.00 0.00 C ATOM 116 O LEU A 6 -2.231 -4.428 -2.353 1.00 0.00 O ATOM 117 CB LEU A 6 -0.878 -1.682 -3.290 1.00 0.00 C ATOM 118 CG LEU A 6 -1.168 -1.550 -1.795 1.00 0.00 C ATOM 119 CD1 LEU A 6 -0.817 -0.157 -1.305 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.626 -1.872 -1.514 1.00 0.00 C ATOM 0 H LEU A 6 -2.838 -3.223 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 6 0.105 -3.317 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.093 -1.231 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.620 -1.101 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.547 -2.264 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.030 -0.082 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.242 0.033 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.411 0.579 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.821 -1.775 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.264 -1.180 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.841 -2.893 -1.830 1.00 0.00 H new ATOM 132 N THR A 7 0.009 -4.664 -2.203 1.00 0.00 N ATOM 133 CA THR A 7 -0.039 -5.640 -1.115 1.00 0.00 C ATOM 134 C THR A 7 0.368 -4.986 0.196 1.00 0.00 C ATOM 135 O THR A 7 1.489 -4.491 0.334 1.00 0.00 O ATOM 136 CB THR A 7 0.877 -6.835 -1.393 1.00 0.00 C ATOM 137 OG1 THR A 7 0.544 -7.450 -2.626 1.00 0.00 O ATOM 138 CG2 THR A 7 0.812 -7.900 -0.311 1.00 0.00 C ATOM 0 H THR A 7 0.952 -4.431 -2.514 1.00 0.00 H new ATOM 0 HA THR A 7 -1.065 -6.002 -1.043 1.00 0.00 H new ATOM 0 HB THR A 7 1.887 -6.426 -1.420 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.142 -8.210 -2.785 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.483 -8.720 -0.567 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.114 -7.468 0.643 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.208 -8.277 -0.232 1.00 0.00 H new ATOM 146 N VAL A 8 -0.548 -4.977 1.152 1.00 0.00 N ATOM 147 CA VAL A 8 -0.286 -4.372 2.449 1.00 0.00 C ATOM 148 C VAL A 8 -0.068 -5.429 3.527 1.00 0.00 C ATOM 149 O VAL A 8 -0.527 -6.559 3.401 1.00 0.00 O ATOM 150 CB VAL A 8 -1.433 -3.438 2.861 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.046 -2.609 4.077 1.00 0.00 C ATOM 152 CG2 VAL A 8 -1.817 -2.542 1.697 1.00 0.00 C ATOM 0 H VAL A 8 -1.479 -5.382 1.054 1.00 0.00 H new ATOM 0 HA VAL A 8 0.629 -3.788 2.351 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.296 -4.045 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.874 -1.955 4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.817 -3.272 4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.169 -2.005 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.631 -1.883 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.956 -1.943 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.140 -3.156 0.856 1.00 0.00 H new ATOM 162 N TYR A 9 0.651 -5.051 4.577 1.00 0.00 N ATOM 163 CA TYR A 9 0.959 -5.956 5.677 1.00 0.00 C ATOM 164 C TYR A 9 0.133 -5.636 6.905 1.00 0.00 C ATOM 165 O TYR A 9 -0.048 -4.470 7.270 1.00 0.00 O ATOM 166 CB TYR A 9 2.447 -5.888 6.015 1.00 0.00 C ATOM 167 CG TYR A 9 3.310 -6.723 5.098 1.00 0.00 C ATOM 168 CD1 TYR A 9 4.334 -7.508 5.603 1.00 0.00 C ATOM 169 CD2 TYR A 9 3.099 -6.721 3.726 1.00 0.00 C ATOM 170 CE1 TYR A 9 5.127 -8.271 4.766 1.00 0.00 C ATOM 171 CE2 TYR A 9 3.885 -7.481 2.881 1.00 0.00 C ATOM 172 CZ TYR A 9 4.899 -8.254 3.406 1.00 0.00 C ATOM 173 OH TYR A 9 5.686 -9.012 2.569 1.00 0.00 O ATOM 0 H TYR A 9 1.035 -4.113 4.690 1.00 0.00 H new ATOM 0 HA TYR A 9 0.708 -6.967 5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.776 -4.850 5.966 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.594 -6.221 7.043 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.516 -7.524 6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.307 -6.115 3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.921 -8.878 5.175 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.706 -7.470 1.816 1.00 0.00 H new ATOM 0 HH TYR A 9 5.392 -8.887 1.642 1.00 0.00 H new ATOM 183 N LEU A 10 -0.368 -6.689 7.534 1.00 0.00 N ATOM 184 CA LEU A 10 -1.187 -6.548 8.723 1.00 0.00 C ATOM 185 C LEU A 10 -0.966 -7.703 9.693 1.00 0.00 C ATOM 186 O LEU A 10 -0.934 -8.867 9.302 1.00 0.00 O ATOM 187 CB LEU A 10 -2.664 -6.425 8.328 1.00 0.00 C ATOM 188 CG LEU A 10 -3.387 -7.716 7.928 1.00 0.00 C ATOM 189 CD1 LEU A 10 -2.545 -8.551 6.973 1.00 0.00 C ATOM 190 CD2 LEU A 10 -3.776 -8.518 9.162 1.00 0.00 C ATOM 0 H LEU A 10 -0.219 -7.653 7.237 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.889 -5.637 9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.203 -5.980 9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.735 -5.725 7.495 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.300 -7.439 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.087 -9.459 6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.340 -7.976 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.604 -8.817 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.288 -9.430 8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.879 -8.776 9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.440 -7.922 9.789 1.00 0.00 H new ATOM 202 N SER A 11 -0.798 -7.362 10.963 1.00 0.00 N ATOM 203 CA SER A 11 -0.571 -8.357 12.007 1.00 0.00 C ATOM 204 C SER A 11 0.627 -9.241 11.675 1.00 0.00 C ATOM 205 O SER A 11 1.262 -9.078 10.634 1.00 0.00 O ATOM 206 CB SER A 11 -1.819 -9.223 12.196 1.00 0.00 C ATOM 207 OG SER A 11 -1.752 -9.952 13.409 1.00 0.00 O ATOM 0 H SER A 11 -0.814 -6.399 11.299 1.00 0.00 H new ATOM 0 HA SER A 11 -0.358 -7.825 12.935 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.708 -8.592 12.196 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.918 -9.913 11.358 1.00 0.00 H new ATOM 0 HG SER A 11 -2.561 -10.496 13.509 1.00 0.00 H new ATOM 213 N ASN A 12 0.927 -10.179 12.568 1.00 0.00 N ATOM 214 CA ASN A 12 2.047 -11.093 12.372 1.00 0.00 C ATOM 215 C ASN A 12 3.359 -10.325 12.237 1.00 0.00 C ATOM 216 O ASN A 12 3.378 -9.095 12.272 1.00 0.00 O ATOM 217 CB ASN A 12 1.815 -11.958 11.130 1.00 0.00 C ATOM 218 CG ASN A 12 1.994 -13.436 11.414 1.00 0.00 C ATOM 219 OD1 ASN A 12 1.088 -14.096 11.923 1.00 0.00 O ATOM 220 ND2 ASN A 12 3.168 -13.965 11.088 1.00 0.00 N ATOM 0 H ASN A 12 0.410 -10.326 13.435 1.00 0.00 H new ATOM 0 HA ASN A 12 2.115 -11.739 13.247 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.808 -11.783 10.751 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.508 -11.655 10.345 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.346 -14.955 11.258 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.891 -13.381 10.668 1.00 0.00 H new ATOM 227 N ASN A 13 4.454 -11.062 12.080 1.00 0.00 N ATOM 228 CA ASN A 13 5.771 -10.451 11.938 1.00 0.00 C ATOM 229 C ASN A 13 5.867 -9.670 10.631 1.00 0.00 C ATOM 230 O ASN A 13 5.789 -8.442 10.623 1.00 0.00 O ATOM 231 CB ASN A 13 6.862 -11.525 11.990 1.00 0.00 C ATOM 232 CG ASN A 13 7.744 -11.395 13.217 1.00 0.00 C ATOM 233 OD1 ASN A 13 8.799 -10.762 13.172 1.00 0.00 O ATOM 234 ND2 ASN A 13 7.316 -11.997 14.320 1.00 0.00 N ATOM 0 H ASN A 13 4.456 -12.081 12.048 1.00 0.00 H new ATOM 0 HA ASN A 13 5.917 -9.757 12.766 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.398 -12.511 11.983 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.479 -11.456 11.094 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.868 -11.946 15.176 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.435 -12.511 14.311 1.00 0.00 H new ATOM 241 N GLU A 14 6.035 -10.391 9.527 1.00 0.00 N ATOM 242 CA GLU A 14 6.140 -9.767 8.215 1.00 0.00 C ATOM 243 C GLU A 14 5.784 -10.761 7.112 1.00 0.00 C ATOM 244 O GLU A 14 6.439 -10.810 6.070 1.00 0.00 O ATOM 245 CB GLU A 14 7.557 -9.220 8.001 1.00 0.00 C ATOM 246 CG GLU A 14 7.591 -7.739 7.661 1.00 0.00 C ATOM 247 CD GLU A 14 8.523 -7.427 6.506 1.00 0.00 C ATOM 248 OE1 GLU A 14 8.496 -8.171 5.504 1.00 0.00 O ATOM 249 OE2 GLU A 14 9.277 -6.436 6.603 1.00 0.00 O ATOM 0 H GLU A 14 6.101 -11.409 9.516 1.00 0.00 H new ATOM 0 HA GLU A 14 5.432 -8.940 8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.144 -9.391 8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.037 -9.780 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.584 -7.404 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.906 -7.175 8.539 1.00 0.00 H new ATOM 256 N GLN A 15 4.745 -11.553 7.350 1.00 0.00 N ATOM 257 CA GLN A 15 4.304 -12.546 6.376 1.00 0.00 C ATOM 258 C GLN A 15 2.805 -12.471 6.135 1.00 0.00 C ATOM 259 O GLN A 15 2.306 -13.070 5.181 1.00 0.00 O ATOM 260 CB GLN A 15 4.700 -13.953 6.830 1.00 0.00 C ATOM 261 CG GLN A 15 5.476 -14.735 5.781 1.00 0.00 C ATOM 262 CD GLN A 15 6.890 -14.222 5.597 1.00 0.00 C ATOM 263 OE1 GLN A 15 7.285 -13.224 6.202 1.00 0.00 O ATOM 264 NE2 GLN A 15 7.661 -14.902 4.758 1.00 0.00 N ATOM 0 H GLN A 15 4.193 -11.528 8.207 1.00 0.00 H new ATOM 0 HA GLN A 15 4.802 -12.324 5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.303 -13.878 7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.799 -14.508 7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.510 -15.786 6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.948 -14.681 4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.292 -15.723 4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.622 -14.604 4.593 1.00 0.00 H new ATOM 273 N HIS A 16 2.079 -11.711 6.955 1.00 0.00 N ATOM 274 CA HIS A 16 0.654 -11.578 6.721 1.00 0.00 C ATOM 275 C HIS A 16 0.409 -10.257 6.025 1.00 0.00 C ATOM 276 O HIS A 16 0.777 -9.192 6.522 1.00 0.00 O ATOM 277 CB HIS A 16 -0.128 -11.628 8.035 1.00 0.00 C ATOM 278 CG HIS A 16 -1.612 -11.667 7.842 1.00 0.00 C ATOM 279 ND1 HIS A 16 -2.506 -11.382 8.851 1.00 0.00 N ATOM 280 CD2 HIS A 16 -2.359 -11.942 6.746 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.738 -11.479 8.386 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.677 -11.817 7.111 1.00 0.00 N ATOM 0 H HIS A 16 2.443 -11.198 7.758 1.00 0.00 H new ATOM 0 HA HIS A 16 0.311 -12.406 6.101 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.181 -12.508 8.600 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.130 -10.756 8.636 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.987 -12.210 5.768 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.642 -11.311 8.952 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.479 -11.962 6.497 1.00 0.00 H new ATOM 291 N PHE A 17 -0.200 -10.345 4.862 1.00 0.00 N ATOM 292 CA PHE A 17 -0.494 -9.180 4.055 1.00 0.00 C ATOM 293 C PHE A 17 -1.821 -9.335 3.357 1.00 0.00 C ATOM 294 O PHE A 17 -2.297 -10.450 3.145 1.00 0.00 O ATOM 295 CB PHE A 17 0.592 -8.978 3.009 1.00 0.00 C ATOM 296 CG PHE A 17 0.983 -10.259 2.349 1.00 0.00 C ATOM 297 CD1 PHE A 17 0.215 -10.768 1.313 1.00 0.00 C ATOM 298 CD2 PHE A 17 2.110 -10.958 2.768 1.00 0.00 C ATOM 299 CE1 PHE A 17 0.568 -11.957 0.702 1.00 0.00 C ATOM 300 CE2 PHE A 17 2.465 -12.144 2.163 1.00 0.00 C ATOM 301 CZ PHE A 17 1.694 -12.646 1.127 1.00 0.00 C ATOM 0 H PHE A 17 -0.505 -11.226 4.449 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.535 -8.315 4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.241 -8.274 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.468 -8.531 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.663 -10.233 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.712 -10.568 3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.033 -12.349 -0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.341 -12.681 2.495 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.970 -13.575 0.650 1.00 0.00 H new ATOM 311 N THR A 18 -2.384 -8.224 2.940 1.00 0.00 N ATOM 312 CA THR A 18 -3.619 -8.263 2.196 1.00 0.00 C ATOM 313 C THR A 18 -3.471 -7.429 0.936 1.00 0.00 C ATOM 314 O THR A 18 -3.314 -6.210 0.997 1.00 0.00 O ATOM 315 CB THR A 18 -4.787 -7.760 3.045 1.00 0.00 C ATOM 316 OG1 THR A 18 -6.013 -7.908 2.351 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.653 -6.304 3.437 1.00 0.00 C ATOM 0 H THR A 18 -2.009 -7.289 3.102 1.00 0.00 H new ATOM 0 HA THR A 18 -3.836 -9.295 1.921 1.00 0.00 H new ATOM 0 HB THR A 18 -4.772 -8.368 3.950 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.413 -8.774 2.574 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.513 -6.008 4.038 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.740 -6.166 4.017 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.609 -5.688 2.539 1.00 0.00 H new ATOM 325 N GLU A 19 -3.508 -8.098 -0.205 1.00 0.00 N ATOM 326 CA GLU A 19 -3.363 -7.423 -1.483 1.00 0.00 C ATOM 327 C GLU A 19 -4.718 -7.075 -2.064 1.00 0.00 C ATOM 328 O GLU A 19 -5.716 -7.740 -1.789 1.00 0.00 O ATOM 329 CB GLU A 19 -2.571 -8.285 -2.465 1.00 0.00 C ATOM 330 CG GLU A 19 -2.896 -9.768 -2.391 1.00 0.00 C ATOM 331 CD GLU A 19 -1.935 -10.532 -1.503 1.00 0.00 C ATOM 332 OE1 GLU A 19 -0.709 -10.360 -1.670 1.00 0.00 O ATOM 333 OE2 GLU A 19 -2.407 -11.301 -0.639 1.00 0.00 O ATOM 0 H GLU A 19 -3.637 -9.108 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.812 -6.498 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.763 -7.932 -3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.506 -8.147 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.911 -9.895 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.872 -10.192 -3.395 1.00 0.00 H new ATOM 340 N VAL A 20 -4.750 -6.017 -2.859 1.00 0.00 N ATOM 341 CA VAL A 20 -5.996 -5.575 -3.465 1.00 0.00 C ATOM 342 C VAL A 20 -5.764 -4.756 -4.734 1.00 0.00 C ATOM 343 O VAL A 20 -4.911 -3.862 -4.765 1.00 0.00 O ATOM 344 CB VAL A 20 -6.819 -4.730 -2.478 1.00 0.00 C ATOM 345 CG1 VAL A 20 -7.446 -5.613 -1.408 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.951 -3.649 -1.847 1.00 0.00 C ATOM 0 H VAL A 20 -3.935 -5.453 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.544 -6.480 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.623 -4.243 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.024 -4.996 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.103 -6.344 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.661 -6.132 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.550 -3.061 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.124 -4.114 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.557 -2.997 -2.627 1.00 0.00 H new ATOM 356 N PRO A 21 -6.544 -5.042 -5.797 1.00 0.00 N ATOM 357 CA PRO A 21 -6.458 -4.332 -7.064 1.00 0.00 C ATOM 358 C PRO A 21 -7.385 -3.127 -7.079 1.00 0.00 C ATOM 359 O PRO A 21 -8.558 -3.234 -6.721 1.00 0.00 O ATOM 360 CB PRO A 21 -6.924 -5.385 -8.062 1.00 0.00 C ATOM 361 CG PRO A 21 -7.940 -6.188 -7.313 1.00 0.00 C ATOM 362 CD PRO A 21 -7.592 -6.080 -5.843 1.00 0.00 C ATOM 0 HA PRO A 21 -5.464 -3.938 -7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.358 -4.926 -8.950 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.095 -6.008 -8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.945 -5.810 -7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.925 -7.228 -7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.460 -5.797 -5.248 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.230 -7.029 -5.448 1.00 0.00 H new ATOM 370 N VAL A 22 -6.858 -1.976 -7.469 1.00 0.00 N ATOM 371 CA VAL A 22 -7.657 -0.762 -7.494 1.00 0.00 C ATOM 372 C VAL A 22 -7.339 0.125 -8.682 1.00 0.00 C ATOM 373 O VAL A 22 -6.303 -0.013 -9.327 1.00 0.00 O ATOM 374 CB VAL A 22 -7.420 0.087 -6.234 1.00 0.00 C ATOM 375 CG1 VAL A 22 -8.000 -0.573 -4.994 1.00 0.00 C ATOM 376 CG2 VAL A 22 -5.934 0.370 -6.059 1.00 0.00 C ATOM 0 H VAL A 22 -5.890 -1.858 -7.770 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.690 -1.103 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.941 1.035 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.812 0.057 -4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.074 -0.705 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.530 -1.545 -4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.781 0.972 -5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.393 -0.571 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.562 0.912 -6.928 1.00 0.00 H new ATOM 386 N THR A 23 -8.226 1.082 -8.903 1.00 0.00 N ATOM 387 CA THR A 23 -8.060 2.076 -9.945 1.00 0.00 C ATOM 388 C THR A 23 -7.548 3.339 -9.269 1.00 0.00 C ATOM 389 O THR A 23 -7.543 3.409 -8.040 1.00 0.00 O ATOM 390 CB THR A 23 -9.386 2.342 -10.663 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.185 3.249 -9.925 1.00 0.00 O ATOM 392 CG2 THR A 23 -10.208 1.091 -10.890 1.00 0.00 C ATOM 0 H THR A 23 -9.084 1.189 -8.361 1.00 0.00 H new ATOM 0 HA THR A 23 -7.357 1.729 -10.703 1.00 0.00 H new ATOM 0 HB THR A 23 -9.108 2.757 -11.632 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.027 3.406 -10.402 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.134 1.352 -11.403 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.641 0.389 -11.501 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.442 0.630 -9.930 1.00 0.00 H new ATOM 400 N PRO A 24 -7.104 4.357 -10.012 1.00 0.00 N ATOM 401 CA PRO A 24 -6.608 5.575 -9.388 1.00 0.00 C ATOM 402 C PRO A 24 -7.741 6.413 -8.807 1.00 0.00 C ATOM 403 O PRO A 24 -7.903 7.588 -9.136 1.00 0.00 O ATOM 404 CB PRO A 24 -5.892 6.296 -10.518 1.00 0.00 C ATOM 405 CG PRO A 24 -6.544 5.808 -11.769 1.00 0.00 C ATOM 406 CD PRO A 24 -7.058 4.417 -11.483 1.00 0.00 C ATOM 0 HA PRO A 24 -5.952 5.374 -8.541 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.989 7.377 -10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.826 6.070 -10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.360 6.468 -12.062 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.833 5.795 -12.595 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.043 4.256 -11.921 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.398 3.654 -11.894 1.00 0.00 H new ATOM 414 N GLU A 25 -8.513 5.783 -7.926 1.00 0.00 N ATOM 415 CA GLU A 25 -9.635 6.426 -7.261 1.00 0.00 C ATOM 416 C GLU A 25 -9.590 6.106 -5.770 1.00 0.00 C ATOM 417 O GLU A 25 -9.707 6.997 -4.930 1.00 0.00 O ATOM 418 CB GLU A 25 -10.961 5.957 -7.868 1.00 0.00 C ATOM 419 CG GLU A 25 -11.743 7.069 -8.549 1.00 0.00 C ATOM 420 CD GLU A 25 -11.909 6.838 -10.039 1.00 0.00 C ATOM 421 OE1 GLU A 25 -12.795 6.044 -10.422 1.00 0.00 O ATOM 422 OE2 GLU A 25 -11.155 7.452 -10.823 1.00 0.00 O ATOM 0 H GLU A 25 -8.375 4.810 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.562 7.505 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.761 5.168 -8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.577 5.519 -7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.726 7.152 -8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.233 8.019 -8.387 1.00 0.00 H new ATOM 429 N THR A 26 -9.389 4.827 -5.449 1.00 0.00 N ATOM 430 CA THR A 26 -9.296 4.403 -4.059 1.00 0.00 C ATOM 431 C THR A 26 -7.885 4.602 -3.544 1.00 0.00 C ATOM 432 O THR A 26 -6.912 4.385 -4.268 1.00 0.00 O ATOM 433 CB THR A 26 -9.694 2.948 -3.885 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.069 2.135 -4.859 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.186 2.721 -3.973 1.00 0.00 C ATOM 0 H THR A 26 -9.289 4.074 -6.130 1.00 0.00 H new ATOM 0 HA THR A 26 -9.990 5.017 -3.486 1.00 0.00 H new ATOM 0 HB THR A 26 -9.365 2.676 -2.882 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.740 1.565 -5.289 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.401 1.661 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.688 3.294 -3.193 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.546 3.045 -4.949 1.00 0.00 H new ATOM 443 N ILE A 27 -7.774 5.007 -2.292 1.00 0.00 N ATOM 444 CA ILE A 27 -6.459 5.223 -1.691 1.00 0.00 C ATOM 445 C ILE A 27 -6.386 4.721 -0.249 1.00 0.00 C ATOM 446 O ILE A 27 -7.194 5.101 0.595 1.00 0.00 O ATOM 447 CB ILE A 27 -6.139 6.731 -1.691 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.057 7.484 -0.711 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.278 7.305 -3.095 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.518 7.085 -0.772 1.00 0.00 C ATOM 0 H ILE A 27 -8.564 5.193 -1.674 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.739 4.662 -2.286 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.108 6.860 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.693 7.321 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.978 8.553 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.049 8.370 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.586 6.796 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.299 7.160 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.085 7.668 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.906 7.275 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.615 6.024 -0.540 1.00 0.00 H new ATOM 462 N CYS A 28 -5.377 3.901 0.030 1.00 0.00 N ATOM 463 CA CYS A 28 -5.131 3.361 1.372 1.00 0.00 C ATOM 464 C CYS A 28 -6.432 3.018 2.095 1.00 0.00 C ATOM 465 O CYS A 28 -6.467 2.929 3.324 1.00 0.00 O ATOM 466 CB CYS A 28 -4.288 4.310 2.211 1.00 0.00 C ATOM 467 SG CYS A 28 -3.537 3.536 3.662 1.00 0.00 S ATOM 0 H CYS A 28 -4.702 3.589 -0.668 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.570 2.436 1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.499 4.729 1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.912 5.142 2.537 1.00 0.00 H new ATOM 0 HG CYS A 28 -2.948 4.444 4.382 1.00 0.00 H new ATOM 473 N ARG A 29 -7.485 2.792 1.328 1.00 0.00 N ATOM 474 CA ARG A 29 -8.774 2.433 1.890 1.00 0.00 C ATOM 475 C ARG A 29 -8.760 0.949 2.134 1.00 0.00 C ATOM 476 O ARG A 29 -9.122 0.467 3.205 1.00 0.00 O ATOM 477 CB ARG A 29 -9.908 2.812 0.934 1.00 0.00 C ATOM 478 CG ARG A 29 -10.951 3.726 1.560 1.00 0.00 C ATOM 479 CD ARG A 29 -11.058 5.047 0.815 1.00 0.00 C ATOM 480 NE ARG A 29 -12.442 5.498 0.697 1.00 0.00 N ATOM 481 CZ ARG A 29 -13.303 5.023 -0.200 1.00 0.00 C ATOM 482 NH1 ARG A 29 -12.929 4.082 -1.057 1.00 0.00 N ATOM 483 NH2 ARG A 29 -14.544 5.491 -0.240 1.00 0.00 N ATOM 0 H ARG A 29 -7.471 2.851 0.310 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.946 2.972 2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.485 3.304 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.397 1.903 0.584 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.920 3.227 1.558 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.691 3.915 2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.473 5.805 1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.626 4.938 -0.180 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.768 6.220 1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.977 3.718 -1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.594 3.722 -1.742 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.838 6.214 0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.204 5.127 -0.927 1.00 0.00 H new ATOM 497 N ASP A 30 -8.281 0.239 1.130 1.00 0.00 N ATOM 498 CA ASP A 30 -8.146 -1.201 1.217 1.00 0.00 C ATOM 499 C ASP A 30 -6.960 -1.536 2.117 1.00 0.00 C ATOM 500 O ASP A 30 -6.961 -2.550 2.817 1.00 0.00 O ATOM 501 CB ASP A 30 -7.945 -1.809 -0.172 1.00 0.00 C ATOM 502 CG ASP A 30 -9.257 -2.028 -0.902 1.00 0.00 C ATOM 503 OD1 ASP A 30 -10.237 -2.446 -0.250 1.00 0.00 O ATOM 504 OD2 ASP A 30 -9.303 -1.779 -2.125 1.00 0.00 O ATOM 0 H ASP A 30 -7.978 0.639 0.242 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.058 -1.622 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.308 -1.152 -0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.422 -2.760 -0.077 1.00 0.00 H new ATOM 509 N VAL A 31 -5.953 -0.657 2.098 1.00 0.00 N ATOM 510 CA VAL A 31 -4.761 -0.839 2.916 1.00 0.00 C ATOM 511 C VAL A 31 -5.116 -0.791 4.401 1.00 0.00 C ATOM 512 O VAL A 31 -4.790 -1.707 5.158 1.00 0.00 O ATOM 513 CB VAL A 31 -3.714 0.264 2.604 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.480 0.146 3.491 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.314 0.236 1.137 1.00 0.00 C ATOM 0 H VAL A 31 -5.944 0.186 1.524 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.337 -1.815 2.680 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.187 1.222 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.774 0.937 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.773 0.241 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.010 -0.824 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.580 1.018 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.881 -0.735 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.194 0.404 0.517 1.00 0.00 H new ATOM 525 N VAL A 32 -5.802 0.275 4.810 1.00 0.00 N ATOM 526 CA VAL A 32 -6.204 0.423 6.204 1.00 0.00 C ATOM 527 C VAL A 32 -7.353 -0.515 6.568 1.00 0.00 C ATOM 528 O VAL A 32 -7.296 -1.218 7.576 1.00 0.00 O ATOM 529 CB VAL A 32 -6.606 1.873 6.529 1.00 0.00 C ATOM 530 CG1 VAL A 32 -6.951 2.003 8.004 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.484 2.831 6.150 1.00 0.00 C ATOM 0 H VAL A 32 -6.088 1.041 4.201 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.333 0.156 6.802 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.489 2.133 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.234 3.033 8.222 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.783 1.340 8.243 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.084 1.729 8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.783 3.852 6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.584 2.578 6.711 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.281 2.749 5.082 1.00 0.00 H new ATOM 541 N ASP A 33 -8.403 -0.507 5.750 1.00 0.00 N ATOM 542 CA ASP A 33 -9.578 -1.340 5.995 1.00 0.00 C ATOM 543 C ASP A 33 -9.208 -2.799 6.255 1.00 0.00 C ATOM 544 O ASP A 33 -9.717 -3.415 7.190 1.00 0.00 O ATOM 545 CB ASP A 33 -10.545 -1.264 4.811 1.00 0.00 C ATOM 546 CG ASP A 33 -11.298 0.050 4.763 1.00 0.00 C ATOM 547 OD1 ASP A 33 -12.488 0.040 4.383 1.00 0.00 O ATOM 548 OD2 ASP A 33 -10.699 1.092 5.105 1.00 0.00 O ATOM 0 H ASP A 33 -8.464 0.068 4.910 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.060 -0.950 6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.989 -1.395 3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.258 -2.086 4.874 1.00 0.00 H new ATOM 553 N LEU A 34 -8.338 -3.357 5.418 1.00 0.00 N ATOM 554 CA LEU A 34 -7.940 -4.752 5.572 1.00 0.00 C ATOM 555 C LEU A 34 -6.862 -4.922 6.638 1.00 0.00 C ATOM 556 O LEU A 34 -6.838 -5.928 7.347 1.00 0.00 O ATOM 557 CB LEU A 34 -7.445 -5.311 4.237 1.00 0.00 C ATOM 558 CG LEU A 34 -8.545 -5.632 3.224 1.00 0.00 C ATOM 559 CD1 LEU A 34 -8.065 -5.361 1.806 1.00 0.00 C ATOM 560 CD2 LEU A 34 -8.995 -7.078 3.367 1.00 0.00 C ATOM 0 H LEU A 34 -7.900 -2.871 4.635 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.819 -5.308 5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.759 -4.591 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.873 -6.219 4.430 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.397 -4.983 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.862 -5.596 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.792 -4.310 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.196 -5.983 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.778 -7.289 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.148 -7.742 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.382 -7.241 4.373 1.00 0.00 H new ATOM 572 N CYS A 35 -5.962 -3.949 6.745 1.00 0.00 N ATOM 573 CA CYS A 35 -4.884 -4.019 7.718 1.00 0.00 C ATOM 574 C CYS A 35 -5.201 -3.218 8.973 1.00 0.00 C ATOM 575 O CYS A 35 -4.312 -2.668 9.622 1.00 0.00 O ATOM 576 CB CYS A 35 -3.591 -3.531 7.078 1.00 0.00 C ATOM 577 SG CYS A 35 -3.251 -4.283 5.471 1.00 0.00 S ATOM 0 H CYS A 35 -5.960 -3.106 6.170 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.767 -5.058 8.026 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.640 -2.448 6.960 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.760 -3.741 7.751 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.752 -3.540 4.529 1.00 0.00 H new ATOM 583 N LYS A 36 -6.475 -3.179 9.313 1.00 0.00 N ATOM 584 CA LYS A 36 -6.938 -2.467 10.500 1.00 0.00 C ATOM 585 C LYS A 36 -7.092 -3.425 11.678 1.00 0.00 C ATOM 586 O LYS A 36 -6.860 -4.627 11.546 1.00 0.00 O ATOM 587 CB LYS A 36 -8.270 -1.769 10.217 1.00 0.00 C ATOM 588 CG LYS A 36 -8.220 -0.261 10.409 1.00 0.00 C ATOM 589 CD LYS A 36 -9.613 0.346 10.406 1.00 0.00 C ATOM 590 CE LYS A 36 -10.233 0.307 9.019 1.00 0.00 C ATOM 591 NZ LYS A 36 -11.133 1.470 8.781 1.00 0.00 N ATOM 0 H LYS A 36 -7.217 -3.635 8.782 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.192 -1.715 10.758 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.574 -1.987 9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.035 -2.185 10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.723 -0.029 11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.624 0.189 9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.249 -0.196 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.563 1.378 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.443 0.299 8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.796 -0.619 8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.838 1.221 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.618 1.720 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.572 2.282 8.453 1.00 0.00 H new ATOM 605 N GLU A 37 -7.489 -2.887 12.827 1.00 0.00 N ATOM 606 CA GLU A 37 -7.679 -3.698 14.026 1.00 0.00 C ATOM 607 C GLU A 37 -8.146 -2.837 15.199 1.00 0.00 C ATOM 608 O GLU A 37 -9.205 -3.086 15.777 1.00 0.00 O ATOM 609 CB GLU A 37 -6.384 -4.430 14.391 1.00 0.00 C ATOM 610 CG GLU A 37 -6.532 -5.942 14.440 1.00 0.00 C ATOM 611 CD GLU A 37 -5.262 -6.666 14.039 1.00 0.00 C ATOM 612 OE1 GLU A 37 -5.357 -7.670 13.304 1.00 0.00 O ATOM 613 OE2 GLU A 37 -4.170 -6.227 14.459 1.00 0.00 O ATOM 0 H GLU A 37 -7.685 -1.894 12.954 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.451 -4.437 13.813 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.614 -4.172 13.664 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.038 -4.076 15.362 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.814 -6.243 15.449 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.343 -6.245 13.778 1.00 0.00 H new ATOM 620 N PRO A 38 -7.359 -1.810 15.571 1.00 0.00 N ATOM 621 CA PRO A 38 -7.695 -0.917 16.680 1.00 0.00 C ATOM 622 C PRO A 38 -8.595 0.242 16.255 1.00 0.00 C ATOM 623 O PRO A 38 -8.693 1.249 16.958 1.00 0.00 O ATOM 624 CB PRO A 38 -6.327 -0.398 17.105 1.00 0.00 C ATOM 625 CG PRO A 38 -5.546 -0.334 15.834 1.00 0.00 C ATOM 626 CD PRO A 38 -6.073 -1.438 14.948 1.00 0.00 C ATOM 0 HA PRO A 38 -8.254 -1.425 17.466 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.402 0.582 17.576 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.856 -1.064 17.828 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.665 0.638 15.355 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.481 -0.466 16.026 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.210 -1.096 13.922 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.387 -2.284 14.913 1.00 0.00 H new ATOM 634 N GLY A 39 -9.247 0.101 15.105 1.00 0.00 N ATOM 635 CA GLY A 39 -10.121 1.151 14.618 1.00 0.00 C ATOM 636 C GLY A 39 -9.354 2.270 13.941 1.00 0.00 C ATOM 637 O GLY A 39 -8.315 2.705 14.436 1.00 0.00 O ATOM 0 H GLY A 39 -9.185 -0.720 14.503 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.837 0.727 13.914 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.695 1.558 15.450 1.00 0.00 H new ATOM 641 N GLU A 40 -9.863 2.734 12.804 1.00 0.00 N ATOM 642 CA GLU A 40 -9.212 3.805 12.061 1.00 0.00 C ATOM 643 C GLU A 40 -9.109 5.072 12.903 1.00 0.00 C ATOM 644 O GLU A 40 -10.055 5.856 12.984 1.00 0.00 O ATOM 645 CB GLU A 40 -9.984 4.098 10.772 1.00 0.00 C ATOM 646 CG GLU A 40 -9.149 4.789 9.706 1.00 0.00 C ATOM 647 CD GLU A 40 -9.986 5.652 8.781 1.00 0.00 C ATOM 648 OE1 GLU A 40 -10.722 5.085 7.947 1.00 0.00 O ATOM 649 OE2 GLU A 40 -9.903 6.893 8.892 1.00 0.00 O ATOM 0 H GLU A 40 -10.722 2.386 12.379 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.203 3.477 11.810 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.370 3.162 10.369 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.845 4.723 11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.391 5.407 10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.622 4.037 9.118 1.00 0.00 H new ATOM 656 N SER A 41 -7.952 5.268 13.527 1.00 0.00 N ATOM 657 CA SER A 41 -7.722 6.443 14.361 1.00 0.00 C ATOM 658 C SER A 41 -6.335 7.024 14.106 1.00 0.00 C ATOM 659 O SER A 41 -5.338 6.526 14.630 1.00 0.00 O ATOM 660 CB SER A 41 -7.872 6.081 15.840 1.00 0.00 C ATOM 661 OG SER A 41 -8.718 4.957 16.008 1.00 0.00 O ATOM 0 H SER A 41 -7.159 4.629 13.471 1.00 0.00 H new ATOM 0 HA SER A 41 -8.466 7.196 14.101 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.892 5.869 16.267 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.280 6.932 16.386 1.00 0.00 H new ATOM 0 HG SER A 41 -8.357 4.198 15.504 1.00 0.00 H new ATOM 667 N ASP A 42 -6.278 8.082 13.301 1.00 0.00 N ATOM 668 CA ASP A 42 -5.012 8.738 12.976 1.00 0.00 C ATOM 669 C ASP A 42 -3.935 7.714 12.619 1.00 0.00 C ATOM 670 O ASP A 42 -2.935 7.577 13.324 1.00 0.00 O ATOM 671 CB ASP A 42 -4.546 9.599 14.152 1.00 0.00 C ATOM 672 CG ASP A 42 -3.343 10.453 13.801 1.00 0.00 C ATOM 673 OD1 ASP A 42 -2.658 10.135 12.805 1.00 0.00 O ATOM 674 OD2 ASP A 42 -3.085 11.440 14.521 1.00 0.00 O ATOM 0 H ASP A 42 -7.095 8.505 12.860 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.177 9.376 12.107 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.364 10.243 14.474 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.297 8.954 14.995 1.00 0.00 H new ATOM 679 N CYS A 43 -4.150 6.995 11.521 1.00 0.00 N ATOM 680 CA CYS A 43 -3.201 5.982 11.073 1.00 0.00 C ATOM 681 C CYS A 43 -2.615 6.343 9.713 1.00 0.00 C ATOM 682 O CYS A 43 -3.090 7.260 9.043 1.00 0.00 O ATOM 683 CB CYS A 43 -3.883 4.615 11.000 1.00 0.00 C ATOM 684 SG CYS A 43 -5.492 4.637 10.175 1.00 0.00 S ATOM 0 H CYS A 43 -4.972 7.095 10.926 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.387 5.939 11.797 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.227 3.921 10.475 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.010 4.230 12.012 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.989 3.436 10.161 1.00 0.00 H new ATOM 690 N HIS A 44 -1.579 5.614 9.310 1.00 0.00 N ATOM 691 CA HIS A 44 -0.924 5.853 8.029 1.00 0.00 C ATOM 692 C HIS A 44 -0.357 4.551 7.463 1.00 0.00 C ATOM 693 O HIS A 44 -0.111 3.597 8.206 1.00 0.00 O ATOM 694 CB HIS A 44 0.178 6.914 8.183 1.00 0.00 C ATOM 695 CG HIS A 44 1.574 6.366 8.200 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.462 6.172 7.194 1.00 0.00 N flip ATOM 697 CD2 HIS A 44 2.207 5.948 9.352 1.00 0.00 C flip ATOM 698 CE1 HIS A 44 3.600 5.646 7.754 1.00 0.00 C flip ATOM 699 NE2 HIS A 44 3.422 5.521 9.055 1.00 0.00 N flip ATOM 0 H HIS A 44 -1.175 4.851 9.853 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.664 6.230 7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.092 7.629 7.365 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.007 7.465 9.108 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.313 6.378 6.206 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.777 5.967 10.342 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.497 5.378 7.216 1.00 0.00 H new ATOM 708 N LEU A 45 -0.144 4.516 6.150 1.00 0.00 N ATOM 709 CA LEU A 45 0.400 3.333 5.505 1.00 0.00 C ATOM 710 C LEU A 45 1.865 3.574 5.152 1.00 0.00 C ATOM 711 O LEU A 45 2.244 4.694 4.840 1.00 0.00 O ATOM 712 CB LEU A 45 -0.432 2.990 4.264 1.00 0.00 C ATOM 713 CG LEU A 45 0.247 2.085 3.238 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.478 0.706 3.829 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.583 1.996 1.964 1.00 0.00 C ATOM 0 H LEU A 45 -0.340 5.292 5.517 1.00 0.00 H new ATOM 0 HA LEU A 45 0.351 2.482 6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.355 2.510 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.714 3.920 3.770 1.00 0.00 H new ATOM 0 HG LEU A 45 1.214 2.517 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.963 0.069 3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.116 0.789 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.478 0.268 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.081 1.346 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.566 1.587 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.697 2.991 1.534 1.00 0.00 H new ATOM 727 N ALA A 46 2.689 2.532 5.237 1.00 0.00 N ATOM 728 CA ALA A 46 4.119 2.664 4.954 1.00 0.00 C ATOM 729 C ALA A 46 4.513 1.985 3.644 1.00 0.00 C ATOM 730 O ALA A 46 3.871 1.024 3.214 1.00 0.00 O ATOM 731 CB ALA A 46 4.930 2.086 6.104 1.00 0.00 C ATOM 0 H ALA A 46 2.395 1.591 5.498 1.00 0.00 H new ATOM 0 HA ALA A 46 4.335 3.727 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.993 2.188 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.694 2.624 7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.684 1.031 6.228 1.00 0.00 H new ATOM 737 N GLU A 47 5.588 2.481 3.021 1.00 0.00 N ATOM 738 CA GLU A 47 6.079 1.901 1.774 1.00 0.00 C ATOM 739 C GLU A 47 7.585 1.647 1.845 1.00 0.00 C ATOM 740 O GLU A 47 8.384 2.581 1.860 1.00 0.00 O ATOM 741 CB GLU A 47 5.783 2.828 0.602 1.00 0.00 C ATOM 742 CG GLU A 47 6.282 4.249 0.796 1.00 0.00 C ATOM 743 CD GLU A 47 5.634 5.226 -0.165 1.00 0.00 C ATOM 744 OE1 GLU A 47 5.365 4.833 -1.319 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.392 6.382 0.239 1.00 0.00 O ATOM 0 H GLU A 47 6.129 3.277 3.360 1.00 0.00 H new ATOM 0 HA GLU A 47 5.565 0.951 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.237 2.414 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.706 2.852 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.082 4.565 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.363 4.273 0.660 1.00 0.00 H new ATOM 752 N VAL A 48 7.959 0.373 1.862 1.00 0.00 N ATOM 753 CA VAL A 48 9.362 -0.025 1.901 1.00 0.00 C ATOM 754 C VAL A 48 9.699 -0.948 0.742 1.00 0.00 C ATOM 755 O VAL A 48 9.044 -1.976 0.556 1.00 0.00 O ATOM 756 CB VAL A 48 9.743 -0.712 3.227 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.257 -0.824 3.349 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.158 0.045 4.413 1.00 0.00 C ATOM 0 H VAL A 48 7.304 -0.409 1.849 1.00 0.00 H new ATOM 0 HA VAL A 48 9.942 0.894 1.818 1.00 0.00 H new ATOM 0 HB VAL A 48 9.323 -1.718 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.511 -1.311 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.646 -1.413 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.699 0.172 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.439 -0.457 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.545 1.064 4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.072 0.070 4.329 1.00 0.00 H new ATOM 768 N TRP A 49 10.720 -0.606 -0.029 1.00 0.00 N ATOM 769 CA TRP A 49 11.113 -1.454 -1.141 1.00 0.00 C ATOM 770 C TRP A 49 12.625 -1.433 -1.362 1.00 0.00 C ATOM 771 O TRP A 49 13.226 -0.371 -1.521 1.00 0.00 O ATOM 772 CB TRP A 49 10.342 -1.058 -2.403 1.00 0.00 C ATOM 773 CG TRP A 49 11.179 -0.552 -3.524 1.00 0.00 C ATOM 774 CD1 TRP A 49 11.788 -1.269 -4.511 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.476 0.805 -3.765 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.455 -0.416 -5.359 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.278 0.873 -4.913 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.130 1.966 -3.101 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.745 2.084 -5.416 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.587 3.174 -3.591 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.390 3.226 -4.741 1.00 0.00 C ATOM 0 H TRP A 49 11.282 0.237 0.092 1.00 0.00 H new ATOM 0 HA TRP A 49 10.854 -2.484 -0.896 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.780 -1.924 -2.753 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.614 -0.291 -2.139 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.752 -2.344 -4.612 1.00 0.00 H new ATOM 0 HE1 TRP A 49 12.991 -0.693 -6.181 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.513 1.930 -2.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.362 2.124 -6.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.323 4.090 -3.083 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.736 4.183 -5.102 1.00 0.00 H new ATOM 792 N CYS A 50 13.231 -2.619 -1.375 1.00 0.00 N ATOM 793 CA CYS A 50 14.671 -2.747 -1.582 1.00 0.00 C ATOM 794 C CYS A 50 15.449 -1.838 -0.634 1.00 0.00 C ATOM 795 O CYS A 50 16.458 -1.246 -1.014 1.00 0.00 O ATOM 796 CB CYS A 50 15.030 -2.418 -3.033 1.00 0.00 C ATOM 797 SG CYS A 50 16.279 -3.511 -3.750 1.00 0.00 S ATOM 0 H CYS A 50 12.745 -3.506 -1.244 1.00 0.00 H new ATOM 0 HA CYS A 50 14.949 -3.779 -1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.126 -2.469 -3.640 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.390 -1.390 -3.083 1.00 0.00 H new ATOM 0 HG CYS A 50 16.514 -3.155 -4.978 1.00 0.00 H new ATOM 803 N GLY A 51 14.972 -1.732 0.601 1.00 0.00 N ATOM 804 CA GLY A 51 15.636 -0.894 1.581 1.00 0.00 C ATOM 805 C GLY A 51 15.110 0.530 1.588 1.00 0.00 C ATOM 806 O GLY A 51 15.390 1.294 2.511 1.00 0.00 O ATOM 0 H GLY A 51 14.138 -2.211 0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.507 -1.329 2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.706 -0.880 1.376 1.00 0.00 H new ATOM 810 N SER A 52 14.343 0.887 0.561 1.00 0.00 N ATOM 811 CA SER A 52 13.779 2.228 0.464 1.00 0.00 C ATOM 812 C SER A 52 12.472 2.317 1.240 1.00 0.00 C ATOM 813 O SER A 52 11.412 1.967 0.723 1.00 0.00 O ATOM 814 CB SER A 52 13.536 2.600 -0.999 1.00 0.00 C ATOM 815 OG SER A 52 14.344 1.822 -1.866 1.00 0.00 O ATOM 0 H SER A 52 14.099 0.268 -0.212 1.00 0.00 H new ATOM 0 HA SER A 52 14.494 2.929 0.896 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.485 2.451 -1.245 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.751 3.658 -1.149 1.00 0.00 H new ATOM 0 HG SER A 52 13.844 1.031 -2.156 1.00 0.00 H new ATOM 821 N GLU A 53 12.552 2.787 2.479 1.00 0.00 N ATOM 822 CA GLU A 53 11.370 2.918 3.320 1.00 0.00 C ATOM 823 C GLU A 53 10.899 4.368 3.372 1.00 0.00 C ATOM 824 O GLU A 53 11.696 5.283 3.579 1.00 0.00 O ATOM 825 CB GLU A 53 11.667 2.416 4.734 1.00 0.00 C ATOM 826 CG GLU A 53 12.848 3.111 5.391 1.00 0.00 C ATOM 827 CD GLU A 53 12.604 3.419 6.856 1.00 0.00 C ATOM 828 OE1 GLU A 53 13.513 3.169 7.674 1.00 0.00 O ATOM 829 OE2 GLU A 53 11.503 3.911 7.183 1.00 0.00 O ATOM 0 H GLU A 53 13.422 3.083 2.922 1.00 0.00 H new ATOM 0 HA GLU A 53 10.576 2.311 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.782 2.558 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.862 1.344 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.733 2.481 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.060 4.038 4.859 1.00 0.00 H new ATOM 836 N ARG A 54 9.600 4.572 3.177 1.00 0.00 N ATOM 837 CA ARG A 54 9.021 5.911 3.197 1.00 0.00 C ATOM 838 C ARG A 54 7.597 5.883 3.749 1.00 0.00 C ATOM 839 O ARG A 54 6.907 4.869 3.658 1.00 0.00 O ATOM 840 CB ARG A 54 9.018 6.510 1.789 1.00 0.00 C ATOM 841 CG ARG A 54 10.346 6.368 1.062 1.00 0.00 C ATOM 842 CD ARG A 54 10.238 6.812 -0.388 1.00 0.00 C ATOM 843 NE ARG A 54 11.379 7.627 -0.797 1.00 0.00 N ATOM 844 CZ ARG A 54 12.628 7.172 -0.866 1.00 0.00 C ATOM 845 NH1 ARG A 54 12.900 5.911 -0.554 1.00 0.00 N ATOM 846 NH2 ARG A 54 13.607 7.980 -1.248 1.00 0.00 N ATOM 0 H ARG A 54 8.927 3.825 3.003 1.00 0.00 H new ATOM 0 HA ARG A 54 9.634 6.532 3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.238 6.028 1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.761 7.567 1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.105 6.962 1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.675 5.329 1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.170 5.935 -1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.318 7.381 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 54 11.209 8.602 -1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.150 5.285 -0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.859 5.568 -0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.403 8.950 -1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.564 7.632 -1.301 1.00 0.00 H new ATOM 860 N PRO A 55 7.136 7.001 4.336 1.00 0.00 N ATOM 861 CA PRO A 55 5.790 7.099 4.899 1.00 0.00 C ATOM 862 C PRO A 55 4.741 7.403 3.832 1.00 0.00 C ATOM 863 O PRO A 55 4.847 8.396 3.113 1.00 0.00 O ATOM 864 CB PRO A 55 5.919 8.270 5.868 1.00 0.00 C ATOM 865 CG PRO A 55 6.934 9.162 5.236 1.00 0.00 C ATOM 866 CD PRO A 55 7.891 8.259 4.496 1.00 0.00 C ATOM 0 HA PRO A 55 5.461 6.169 5.363 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.966 8.783 6.001 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.242 7.936 6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.460 9.868 4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.458 9.750 5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.174 8.681 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.811 8.104 5.059 1.00 0.00 H new ATOM 874 N VAL A 56 3.727 6.547 3.735 1.00 0.00 N ATOM 875 CA VAL A 56 2.663 6.733 2.755 1.00 0.00 C ATOM 876 C VAL A 56 1.389 7.267 3.406 1.00 0.00 C ATOM 877 O VAL A 56 0.915 6.745 4.427 1.00 0.00 O ATOM 878 CB VAL A 56 2.316 5.433 1.965 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.258 4.280 2.302 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.860 5.029 2.193 1.00 0.00 C ATOM 0 H VAL A 56 3.621 5.720 4.322 1.00 0.00 H new ATOM 0 HA VAL A 56 3.054 7.464 2.047 1.00 0.00 H new ATOM 0 HB VAL A 56 2.453 5.658 0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.975 3.399 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.281 4.562 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.192 4.055 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.642 4.120 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.695 4.848 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.203 5.830 1.855 1.00 0.00 H new ATOM 890 N ALA A 57 0.822 8.287 2.777 1.00 0.00 N ATOM 891 CA ALA A 57 -0.412 8.890 3.245 1.00 0.00 C ATOM 892 C ALA A 57 -1.596 8.031 2.833 1.00 0.00 C ATOM 893 O ALA A 57 -1.656 7.546 1.700 1.00 0.00 O ATOM 894 CB ALA A 57 -0.551 10.286 2.672 1.00 0.00 C ATOM 0 H ALA A 57 1.204 8.715 1.934 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.389 8.957 4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.479 10.734 3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.293 10.897 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.567 10.233 1.583 1.00 0.00 H new ATOM 900 N ASP A 58 -2.529 7.826 3.750 1.00 0.00 N ATOM 901 CA ASP A 58 -3.686 6.999 3.457 1.00 0.00 C ATOM 902 C ASP A 58 -4.511 7.550 2.300 1.00 0.00 C ATOM 903 O ASP A 58 -5.393 6.866 1.786 1.00 0.00 O ATOM 904 CB ASP A 58 -4.580 6.834 4.684 1.00 0.00 C ATOM 905 CG ASP A 58 -3.842 6.238 5.865 1.00 0.00 C ATOM 906 OD1 ASP A 58 -4.274 6.469 7.014 1.00 0.00 O ATOM 907 OD2 ASP A 58 -2.833 5.538 5.642 1.00 0.00 O ATOM 0 H ASP A 58 -2.508 8.216 4.692 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.295 6.024 3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.986 7.805 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.426 6.196 4.429 1.00 0.00 H new ATOM 912 N ASN A 59 -4.247 8.784 1.896 1.00 0.00 N ATOM 913 CA ASN A 59 -5.002 9.383 0.806 1.00 0.00 C ATOM 914 C ASN A 59 -4.242 9.319 -0.520 1.00 0.00 C ATOM 915 O ASN A 59 -4.524 10.091 -1.437 1.00 0.00 O ATOM 916 CB ASN A 59 -5.356 10.834 1.140 1.00 0.00 C ATOM 917 CG ASN A 59 -6.853 11.056 1.240 1.00 0.00 C ATOM 918 OD1 ASN A 59 -7.376 11.370 2.309 1.00 0.00 O ATOM 919 ND2 ASN A 59 -7.551 10.892 0.121 1.00 0.00 N ATOM 0 H ASN A 59 -3.526 9.383 2.300 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.919 8.805 0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.887 11.112 2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.944 11.491 0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.562 11.027 0.126 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.076 10.631 -0.743 1.00 0.00 H new ATOM 926 N GLU A 60 -3.283 8.403 -0.624 1.00 0.00 N ATOM 927 CA GLU A 60 -2.501 8.262 -1.849 1.00 0.00 C ATOM 928 C GLU A 60 -3.051 7.142 -2.733 1.00 0.00 C ATOM 929 O GLU A 60 -3.283 6.026 -2.266 1.00 0.00 O ATOM 930 CB GLU A 60 -1.036 7.990 -1.509 1.00 0.00 C ATOM 931 CG GLU A 60 -0.334 9.167 -0.852 1.00 0.00 C ATOM 932 CD GLU A 60 0.126 10.205 -1.858 1.00 0.00 C ATOM 933 OE1 GLU A 60 -0.471 10.277 -2.953 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.085 10.944 -1.551 1.00 0.00 O ATOM 0 H GLU A 60 -3.030 7.752 0.119 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.574 9.197 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.980 7.128 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.503 7.724 -2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.009 9.635 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.526 8.805 -0.290 1.00 0.00 H new ATOM 941 N ARG A 61 -3.253 7.448 -4.014 1.00 0.00 N ATOM 942 CA ARG A 61 -3.773 6.469 -4.968 1.00 0.00 C ATOM 943 C ARG A 61 -2.782 5.326 -5.158 1.00 0.00 C ATOM 944 O ARG A 61 -1.582 5.556 -5.303 1.00 0.00 O ATOM 945 CB ARG A 61 -4.077 7.145 -6.307 1.00 0.00 C ATOM 946 CG ARG A 61 -5.554 7.427 -6.522 1.00 0.00 C ATOM 947 CD ARG A 61 -5.773 8.766 -7.209 1.00 0.00 C ATOM 948 NE ARG A 61 -5.197 9.873 -6.448 1.00 0.00 N ATOM 949 CZ ARG A 61 -5.430 11.156 -6.713 1.00 0.00 C ATOM 950 NH1 ARG A 61 -6.225 11.500 -7.719 1.00 0.00 N ATOM 951 NH2 ARG A 61 -4.867 12.099 -5.971 1.00 0.00 N ATOM 0 H ARG A 61 -3.064 8.367 -4.415 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.699 6.054 -4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.524 8.082 -6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.715 6.510 -7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.993 6.632 -7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.070 7.421 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.328 8.740 -8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.842 8.935 -7.342 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.580 9.649 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.661 10.779 -8.294 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.400 12.485 -7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.255 11.841 -5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.046 13.082 -6.174 1.00 0.00 H new ATOM 965 N MET A 62 -3.294 4.094 -5.154 1.00 0.00 N ATOM 966 CA MET A 62 -2.453 2.899 -5.306 1.00 0.00 C ATOM 967 C MET A 62 -1.275 3.163 -6.228 1.00 0.00 C ATOM 968 O MET A 62 -0.161 3.409 -5.763 1.00 0.00 O ATOM 969 CB MET A 62 -3.277 1.719 -5.807 1.00 0.00 C ATOM 970 CG MET A 62 -3.202 0.514 -4.882 1.00 0.00 C ATOM 971 SD MET A 62 -4.258 0.666 -3.422 1.00 0.00 S ATOM 972 CE MET A 62 -3.371 1.894 -2.466 1.00 0.00 C ATOM 0 H MET A 62 -4.289 3.894 -5.047 1.00 0.00 H new ATOM 0 HA MET A 62 -2.054 2.648 -4.323 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.317 2.027 -5.912 1.00 0.00 H new ATOM 0 HB3 MET A 62 -2.927 1.432 -6.799 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.488 -0.380 -5.437 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.169 0.374 -4.562 1.00 0.00 H new ATOM 0 HE1 MET A 62 -3.381 1.612 -1.413 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.340 1.953 -2.816 1.00 0.00 H new ATOM 0 HE3 MET A 62 -3.851 2.865 -2.586 1.00 0.00 H new ATOM 982 N PHE A 63 -1.514 3.129 -7.529 1.00 0.00 N ATOM 983 CA PHE A 63 -0.436 3.388 -8.484 1.00 0.00 C ATOM 984 C PHE A 63 0.277 4.691 -8.148 1.00 0.00 C ATOM 985 O PHE A 63 1.493 4.800 -8.299 1.00 0.00 O ATOM 986 CB PHE A 63 -0.942 3.490 -9.923 1.00 0.00 C ATOM 987 CG PHE A 63 -2.148 2.668 -10.235 1.00 0.00 C ATOM 988 CD1 PHE A 63 -2.313 1.406 -9.697 1.00 0.00 C ATOM 989 CD2 PHE A 63 -3.111 3.163 -11.091 1.00 0.00 C ATOM 990 CE1 PHE A 63 -3.424 0.648 -10.010 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.224 2.413 -11.409 1.00 0.00 C ATOM 992 CZ PHE A 63 -4.380 1.152 -10.870 1.00 0.00 C ATOM 0 H PHE A 63 -2.423 2.930 -7.947 1.00 0.00 H new ATOM 0 HA PHE A 63 0.245 2.541 -8.407 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.169 4.534 -10.138 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.137 3.194 -10.596 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.566 1.009 -9.026 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.992 4.148 -11.516 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.545 -0.337 -9.583 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.972 2.812 -12.078 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.248 0.560 -11.120 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.487 5.684 -7.691 1.00 0.00 N ATOM 1003 CA ASP A 64 0.086 6.977 -7.353 1.00 0.00 C ATOM 1004 C ASP A 64 1.252 6.794 -6.401 1.00 0.00 C ATOM 1005 O ASP A 64 2.311 7.402 -6.563 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.967 7.891 -6.732 1.00 0.00 C ATOM 1007 CG ASP A 64 -0.591 9.357 -6.830 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -1.384 10.137 -7.397 1.00 0.00 O ATOM 1009 OD2 ASP A 64 0.497 9.724 -6.338 1.00 0.00 O ATOM 0 H ASP A 64 -1.495 5.614 -7.549 1.00 0.00 H new ATOM 0 HA ASP A 64 0.446 7.446 -8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.923 7.730 -7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.104 7.623 -5.684 1.00 0.00 H new ATOM 1014 N VAL A 65 1.053 5.924 -5.426 1.00 0.00 N ATOM 1015 CA VAL A 65 2.089 5.618 -4.458 1.00 0.00 C ATOM 1016 C VAL A 65 3.168 4.776 -5.119 1.00 0.00 C ATOM 1017 O VAL A 65 4.344 4.866 -4.773 1.00 0.00 O ATOM 1018 CB VAL A 65 1.529 4.834 -3.251 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.547 4.791 -2.124 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.213 5.427 -2.768 1.00 0.00 C ATOM 0 H VAL A 65 0.180 5.416 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 65 2.497 6.564 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 65 1.332 3.813 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.135 4.235 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.456 4.301 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.782 5.807 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.155 4.852 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.370 6.462 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.520 5.391 -3.574 1.00 0.00 H new ATOM 1030 N LEU A 66 2.744 3.958 -6.080 1.00 0.00 N ATOM 1031 CA LEU A 66 3.644 3.076 -6.809 1.00 0.00 C ATOM 1032 C LEU A 66 4.489 3.843 -7.826 1.00 0.00 C ATOM 1033 O LEU A 66 5.437 3.297 -8.392 1.00 0.00 O ATOM 1034 CB LEU A 66 2.825 1.984 -7.505 1.00 0.00 C ATOM 1035 CG LEU A 66 3.158 0.554 -7.079 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.744 0.322 -5.633 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.475 -0.448 -7.997 1.00 0.00 C ATOM 0 H LEU A 66 1.769 3.890 -6.372 1.00 0.00 H new ATOM 0 HA LEU A 66 4.334 2.622 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.768 2.167 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.974 2.070 -8.581 1.00 0.00 H new ATOM 0 HG LEU A 66 4.236 0.412 -7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.988 -0.701 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.277 1.018 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.671 0.482 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.723 -1.461 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.395 -0.307 -7.950 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.817 -0.295 -9.021 1.00 0.00 H new ATOM 1049 N GLN A 67 4.142 5.105 -8.059 1.00 0.00 N ATOM 1050 CA GLN A 67 4.873 5.932 -9.012 1.00 0.00 C ATOM 1051 C GLN A 67 6.020 6.687 -8.339 1.00 0.00 C ATOM 1052 O GLN A 67 6.949 7.139 -9.008 1.00 0.00 O ATOM 1053 CB GLN A 67 3.923 6.924 -9.688 1.00 0.00 C ATOM 1054 CG GLN A 67 3.395 6.442 -11.029 1.00 0.00 C ATOM 1055 CD GLN A 67 3.975 7.216 -12.197 1.00 0.00 C ATOM 1056 OE1 GLN A 67 5.119 7.670 -12.149 1.00 0.00 O ATOM 1057 NE2 GLN A 67 3.187 7.373 -13.254 1.00 0.00 N ATOM 0 H GLN A 67 3.361 5.576 -7.602 1.00 0.00 H new ATOM 0 HA GLN A 67 5.302 5.269 -9.764 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.081 7.118 -9.024 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.442 7.872 -9.831 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.628 5.384 -11.148 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.309 6.533 -11.041 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.246 6.980 -13.251 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.523 7.887 -14.069 1.00 0.00 H new ATOM 1066 N ARG A 68 5.951 6.831 -7.018 1.00 0.00 N ATOM 1067 CA ARG A 68 6.987 7.542 -6.277 1.00 0.00 C ATOM 1068 C ARG A 68 8.231 6.678 -6.087 1.00 0.00 C ATOM 1069 O ARG A 68 9.348 7.193 -6.012 1.00 0.00 O ATOM 1070 CB ARG A 68 6.455 7.997 -4.917 1.00 0.00 C ATOM 1071 CG ARG A 68 6.143 6.853 -3.966 1.00 0.00 C ATOM 1072 CD ARG A 68 6.891 7.006 -2.653 1.00 0.00 C ATOM 1073 NE ARG A 68 6.172 7.860 -1.708 1.00 0.00 N ATOM 1074 CZ ARG A 68 6.491 9.129 -1.453 1.00 0.00 C ATOM 1075 NH1 ARG A 68 7.508 9.711 -2.077 1.00 0.00 N ATOM 1076 NH2 ARG A 68 5.784 9.822 -0.570 1.00 0.00 N ATOM 0 H ARG A 68 5.192 6.467 -6.442 1.00 0.00 H new ATOM 0 HA ARG A 68 7.268 8.417 -6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.190 8.654 -4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.551 8.587 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.071 6.819 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.413 5.906 -4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.046 6.023 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.877 7.428 -2.845 1.00 0.00 H new ATOM 0 HE ARG A 68 5.376 7.459 -1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.055 9.187 -2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.743 10.683 -1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.999 9.384 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.026 10.793 -0.373 1.00 0.00 H new ATOM 1090 N PHE A 69 8.038 5.365 -6.013 1.00 0.00 N ATOM 1091 CA PHE A 69 9.155 4.440 -5.835 1.00 0.00 C ATOM 1092 C PHE A 69 10.145 4.564 -6.987 1.00 0.00 C ATOM 1093 O PHE A 69 11.346 4.741 -6.774 1.00 0.00 O ATOM 1094 CB PHE A 69 8.651 2.999 -5.744 1.00 0.00 C ATOM 1095 CG PHE A 69 7.711 2.750 -4.598 1.00 0.00 C ATOM 1096 CD1 PHE A 69 8.178 2.242 -3.397 1.00 0.00 C ATOM 1097 CD2 PHE A 69 6.359 3.009 -4.728 1.00 0.00 C ATOM 1098 CE1 PHE A 69 7.320 2.000 -2.343 1.00 0.00 C ATOM 1099 CE2 PHE A 69 5.493 2.770 -3.680 1.00 0.00 C ATOM 1100 CZ PHE A 69 5.971 2.266 -2.491 1.00 0.00 C ATOM 0 H PHE A 69 7.123 4.918 -6.073 1.00 0.00 H new ATOM 0 HA PHE A 69 9.660 4.699 -4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.147 2.742 -6.676 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.507 2.331 -5.650 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.231 2.032 -3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.977 3.402 -5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.699 1.607 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.439 2.979 -3.793 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.291 2.078 -1.673 1.00 0.00 H new ATOM 1110 N GLY A 70 9.631 4.467 -8.209 1.00 0.00 N ATOM 1111 CA GLY A 70 10.477 4.567 -9.383 1.00 0.00 C ATOM 1112 C GLY A 70 9.983 3.694 -10.520 1.00 0.00 C ATOM 1113 O GLY A 70 8.781 3.464 -10.657 1.00 0.00 O ATOM 0 H GLY A 70 8.641 4.321 -8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.515 5.605 -9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.495 4.278 -9.121 1.00 0.00 H new ATOM 1117 N SER A 71 10.910 3.204 -11.337 1.00 0.00 N ATOM 1118 CA SER A 71 10.557 2.349 -12.465 1.00 0.00 C ATOM 1119 C SER A 71 9.996 1.015 -11.982 1.00 0.00 C ATOM 1120 O SER A 71 9.157 0.407 -12.645 1.00 0.00 O ATOM 1121 CB SER A 71 11.779 2.110 -13.353 1.00 0.00 C ATOM 1122 OG SER A 71 11.454 2.274 -14.723 1.00 0.00 O ATOM 0 H SER A 71 11.909 3.384 -11.239 1.00 0.00 H new ATOM 0 HA SER A 71 9.788 2.857 -13.047 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.573 2.804 -13.079 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.163 1.104 -13.185 1.00 0.00 H new ATOM 0 HG SER A 71 12.252 2.118 -15.270 1.00 0.00 H new ATOM 1128 N GLN A 72 10.466 0.567 -10.822 1.00 0.00 N ATOM 1129 CA GLN A 72 10.012 -0.694 -10.249 1.00 0.00 C ATOM 1130 C GLN A 72 8.823 -0.473 -9.320 1.00 0.00 C ATOM 1131 O GLN A 72 8.991 -0.286 -8.114 1.00 0.00 O ATOM 1132 CB GLN A 72 11.156 -1.370 -9.489 1.00 0.00 C ATOM 1133 CG GLN A 72 11.261 -2.863 -9.752 1.00 0.00 C ATOM 1134 CD GLN A 72 12.069 -3.182 -10.996 1.00 0.00 C ATOM 1135 OE1 GLN A 72 11.594 -3.875 -11.896 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.295 -2.676 -11.052 1.00 0.00 N ATOM 0 H GLN A 72 11.161 1.059 -10.261 1.00 0.00 H new ATOM 0 HA GLN A 72 9.693 -1.344 -11.064 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.097 -0.894 -9.766 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.018 -1.206 -8.420 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.720 -3.348 -8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.260 -3.281 -9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.647 -2.107 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.885 -2.856 -11.865 1.00 0.00 H new ATOM 1145 N ARG A 73 7.621 -0.494 -9.888 1.00 0.00 N ATOM 1146 CA ARG A 73 6.403 -0.294 -9.110 1.00 0.00 C ATOM 1147 C ARG A 73 5.988 -1.579 -8.398 1.00 0.00 C ATOM 1148 O ARG A 73 5.355 -1.537 -7.343 1.00 0.00 O ATOM 1149 CB ARG A 73 5.268 0.196 -10.014 1.00 0.00 C ATOM 1150 CG ARG A 73 4.985 -0.720 -11.194 1.00 0.00 C ATOM 1151 CD ARG A 73 4.835 0.066 -12.489 1.00 0.00 C ATOM 1152 NE ARG A 73 5.989 -0.101 -13.370 1.00 0.00 N ATOM 1153 CZ ARG A 73 6.149 -1.130 -14.199 1.00 0.00 C ATOM 1154 NH1 ARG A 73 5.236 -2.092 -14.260 1.00 0.00 N ATOM 1155 NH2 ARG A 73 7.227 -1.199 -14.968 1.00 0.00 N ATOM 0 H ARG A 73 7.464 -0.647 -10.884 1.00 0.00 H new ATOM 0 HA ARG A 73 6.608 0.464 -8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.360 0.298 -9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.517 1.189 -10.388 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.795 -1.442 -11.297 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.074 -1.288 -11.005 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.933 -0.259 -13.008 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.706 1.123 -12.258 1.00 0.00 H new ATOM 0 HE ARG A 73 6.716 0.614 -13.348 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.406 -2.045 -13.669 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.365 -2.878 -14.898 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.933 -0.464 -14.924 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.350 -1.987 -15.604 1.00 0.00 H new ATOM 1169 N ASN A 74 6.350 -2.719 -8.978 1.00 0.00 N ATOM 1170 CA ASN A 74 6.015 -4.015 -8.395 1.00 0.00 C ATOM 1171 C ASN A 74 7.176 -4.553 -7.563 1.00 0.00 C ATOM 1172 O ASN A 74 7.494 -5.742 -7.616 1.00 0.00 O ATOM 1173 CB ASN A 74 5.648 -5.012 -9.495 1.00 0.00 C ATOM 1174 CG ASN A 74 4.218 -4.848 -9.968 1.00 0.00 C ATOM 1175 OD1 ASN A 74 3.499 -3.958 -9.511 1.00 0.00 O ATOM 1176 ND2 ASN A 74 3.795 -5.706 -10.888 1.00 0.00 N ATOM 0 H ASN A 74 6.875 -2.772 -9.851 1.00 0.00 H new ATOM 0 HA ASN A 74 5.156 -3.881 -7.738 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.325 -4.882 -10.340 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.791 -6.027 -9.125 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.841 -5.643 -11.244 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.424 -6.428 -11.239 1.00 0.00 H new ATOM 1183 N GLU A 75 7.809 -3.668 -6.800 1.00 0.00 N ATOM 1184 CA GLU A 75 8.942 -4.045 -5.957 1.00 0.00 C ATOM 1185 C GLU A 75 8.792 -3.505 -4.535 1.00 0.00 C ATOM 1186 O GLU A 75 9.676 -3.693 -3.701 1.00 0.00 O ATOM 1187 CB GLU A 75 10.237 -3.496 -6.552 1.00 0.00 C ATOM 1188 CG GLU A 75 11.475 -4.276 -6.140 1.00 0.00 C ATOM 1189 CD GLU A 75 11.824 -5.375 -7.125 1.00 0.00 C ATOM 1190 OE1 GLU A 75 10.920 -6.158 -7.486 1.00 0.00 O ATOM 1191 OE2 GLU A 75 13.001 -5.453 -7.536 1.00 0.00 O ATOM 0 H GLU A 75 7.557 -2.681 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 75 8.970 -5.134 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.159 -3.503 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.355 -2.456 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.319 -3.592 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.314 -4.713 -5.155 1.00 0.00 H new ATOM 1198 N VAL A 76 7.687 -2.813 -4.274 1.00 0.00 N ATOM 1199 CA VAL A 76 7.445 -2.215 -2.963 1.00 0.00 C ATOM 1200 C VAL A 76 6.558 -3.081 -2.078 1.00 0.00 C ATOM 1201 O VAL A 76 5.833 -3.955 -2.551 1.00 0.00 O ATOM 1202 CB VAL A 76 6.809 -0.805 -3.090 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.447 -0.492 -4.535 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.590 -0.643 -2.173 1.00 0.00 C ATOM 0 H VAL A 76 6.943 -2.652 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 76 8.424 -2.133 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 76 7.560 -0.085 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.004 0.502 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.346 -0.524 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.732 -1.230 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.175 0.358 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.835 -1.383 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.893 -0.788 -1.136 1.00 0.00 H new ATOM 1214 N ARG A 77 6.597 -2.775 -0.788 1.00 0.00 N ATOM 1215 CA ARG A 77 5.780 -3.451 0.202 1.00 0.00 C ATOM 1216 C ARG A 77 4.976 -2.410 0.961 1.00 0.00 C ATOM 1217 O ARG A 77 5.502 -1.362 1.323 1.00 0.00 O ATOM 1218 CB ARG A 77 6.652 -4.260 1.164 1.00 0.00 C ATOM 1219 CG ARG A 77 6.960 -5.665 0.666 1.00 0.00 C ATOM 1220 CD ARG A 77 8.447 -5.865 0.425 1.00 0.00 C ATOM 1221 NE ARG A 77 8.711 -7.031 -0.415 1.00 0.00 N ATOM 1222 CZ ARG A 77 9.922 -7.548 -0.607 1.00 0.00 C ATOM 1223 NH1 ARG A 77 10.983 -7.006 -0.023 1.00 0.00 N ATOM 1224 NH2 ARG A 77 10.074 -8.611 -1.385 1.00 0.00 N ATOM 0 H ARG A 77 7.199 -2.048 -0.401 1.00 0.00 H new ATOM 0 HA ARG A 77 5.105 -4.147 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.589 -3.728 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.150 -4.327 2.129 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.609 -6.394 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.414 -5.851 -0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.861 -4.975 -0.049 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.957 -5.983 1.381 1.00 0.00 H new ATOM 0 HE ARG A 77 7.920 -7.475 -0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.873 -6.189 0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.909 -7.407 -0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.262 -9.033 -1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.002 -9.007 -1.532 1.00 0.00 H new ATOM 1238 N PHE A 78 3.701 -2.687 1.192 1.00 0.00 N ATOM 1239 CA PHE A 78 2.853 -1.759 1.917 1.00 0.00 C ATOM 1240 C PHE A 78 2.546 -2.344 3.282 1.00 0.00 C ATOM 1241 O PHE A 78 2.392 -3.550 3.416 1.00 0.00 O ATOM 1242 CB PHE A 78 1.592 -1.447 1.116 1.00 0.00 C ATOM 1243 CG PHE A 78 1.858 -0.463 0.015 1.00 0.00 C ATOM 1244 CD1 PHE A 78 1.889 0.897 0.276 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.087 -0.898 -1.279 1.00 0.00 C ATOM 1246 CE1 PHE A 78 2.142 1.806 -0.733 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.341 0.005 -2.294 1.00 0.00 C ATOM 1248 CZ PHE A 78 2.368 1.359 -2.021 1.00 0.00 C ATOM 0 H PHE A 78 3.235 -3.542 0.889 1.00 0.00 H new ATOM 0 HA PHE A 78 3.367 -0.809 2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.195 -2.369 0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.828 -1.048 1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.713 1.251 1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.067 -1.955 -1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.163 2.864 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.518 -0.347 -3.299 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.565 2.067 -2.813 1.00 0.00 H new ATOM 1258 N PHE A 79 2.546 -1.500 4.302 1.00 0.00 N ATOM 1259 CA PHE A 79 2.339 -1.967 5.672 1.00 0.00 C ATOM 1260 C PHE A 79 1.505 -0.979 6.482 1.00 0.00 C ATOM 1261 O PHE A 79 1.559 0.227 6.247 1.00 0.00 O ATOM 1262 CB PHE A 79 3.708 -2.195 6.328 1.00 0.00 C ATOM 1263 CG PHE A 79 4.839 -2.112 5.334 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.086 -0.926 4.666 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.619 -3.218 5.037 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.088 -0.834 3.726 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.630 -3.134 4.103 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.866 -1.944 3.448 1.00 0.00 C ATOM 0 H PHE A 79 2.686 -0.494 4.213 1.00 0.00 H new ATOM 0 HA PHE A 79 1.782 -2.904 5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.861 -1.453 7.112 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.720 -3.173 6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.483 -0.058 4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.433 -4.155 5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.265 0.098 3.209 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.237 -4.000 3.885 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.659 -1.878 2.717 1.00 0.00 H new ATOM 1278 N LEU A 80 0.735 -1.491 7.437 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.104 -0.633 8.267 1.00 0.00 C ATOM 1280 C LEU A 80 0.619 -0.222 9.545 1.00 0.00 C ATOM 1281 O LEU A 80 1.072 -1.068 10.316 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.416 -1.343 8.613 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.684 -0.575 8.235 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -2.902 0.600 9.176 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.609 -0.103 6.792 1.00 0.00 C ATOM 0 H LEU A 80 0.674 -2.486 7.654 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.326 0.269 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.432 -2.310 8.111 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.434 -1.540 9.685 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.536 -1.248 8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.809 1.132 8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.004 0.234 10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.050 1.277 9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.519 0.441 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.747 0.553 6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.507 -0.965 6.132 1.00 0.00 H new ATOM 1297 N ARG A 81 0.722 1.088 9.761 1.00 0.00 N ATOM 1298 CA ARG A 81 1.388 1.620 10.943 1.00 0.00 C ATOM 1299 C ARG A 81 0.418 2.426 11.799 1.00 0.00 C ATOM 1300 O ARG A 81 -0.154 3.415 11.342 1.00 0.00 O ATOM 1301 CB ARG A 81 2.573 2.495 10.532 1.00 0.00 C ATOM 1302 CG ARG A 81 3.790 1.701 10.086 1.00 0.00 C ATOM 1303 CD ARG A 81 4.466 1.014 11.261 1.00 0.00 C ATOM 1304 NE ARG A 81 5.111 1.969 12.158 1.00 0.00 N ATOM 1305 CZ ARG A 81 5.701 1.630 13.303 1.00 0.00 C ATOM 1306 NH1 ARG A 81 5.728 0.361 13.693 1.00 0.00 N ATOM 1307 NH2 ARG A 81 6.264 2.562 14.059 1.00 0.00 N ATOM 0 H ARG A 81 0.352 1.799 9.131 1.00 0.00 H new ATOM 0 HA ARG A 81 1.752 0.780 11.535 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.263 3.155 9.722 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.852 3.131 11.372 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.490 0.955 9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.500 2.366 9.594 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.727 0.437 11.817 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.208 0.308 10.889 1.00 0.00 H new ATOM 0 HE ARG A 81 5.110 2.954 11.892 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.296 -0.360 13.115 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.181 0.107 14.571 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.245 3.538 13.764 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.716 2.303 14.936 1.00 0.00 H new ATOM 1321 N HIS A 82 0.237 1.996 13.045 1.00 0.00 N ATOM 1322 CA HIS A 82 -0.664 2.680 13.965 1.00 0.00 C ATOM 1323 C HIS A 82 0.119 3.411 15.051 1.00 0.00 C ATOM 1324 O HIS A 82 0.837 2.792 15.835 1.00 0.00 O ATOM 1325 CB HIS A 82 -1.631 1.679 14.602 1.00 0.00 C ATOM 1326 CG HIS A 82 -2.974 1.640 13.940 1.00 0.00 C ATOM 1327 ND1 HIS A 82 -3.485 0.785 13.023 1.00 0.00 N flip ATOM 1328 CD2 HIS A 82 -3.970 2.558 14.201 1.00 0.00 C flip ATOM 1329 CE1 HIS A 82 -4.764 1.198 12.750 1.00 0.00 C flip ATOM 1330 NE2 HIS A 82 -5.033 2.269 13.474 1.00 0.00 N flip ATOM 0 H HIS A 82 0.702 1.178 13.439 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.234 3.415 13.397 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.188 0.684 14.565 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -1.761 1.931 15.654 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.892 3.384 14.892 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.442 0.724 12.055 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.913 2.785 13.472 1.00 0.00 H new ATOM 1339 N GLU A 83 -0.025 4.732 15.090 1.00 0.00 N ATOM 1340 CA GLU A 83 0.671 5.547 16.079 1.00 0.00 C ATOM 1341 C GLU A 83 0.015 5.417 17.450 1.00 0.00 C ATOM 1342 O GLU A 83 0.248 6.298 18.303 1.00 0.00 O ATOM 1343 CB GLU A 83 0.684 7.015 15.645 1.00 0.00 C ATOM 1344 CG GLU A 83 1.783 7.834 16.304 1.00 0.00 C ATOM 1345 CD GLU A 83 2.556 8.679 15.310 1.00 0.00 C ATOM 1346 OE1 GLU A 83 1.913 9.346 14.472 1.00 0.00 O ATOM 1347 OE2 GLU A 83 3.803 8.675 15.371 1.00 0.00 O ATOM 1348 OXT GLU A 83 -0.727 4.434 17.659 1.00 0.00 O ATOM 0 H GLU A 83 -0.617 5.260 14.449 1.00 0.00 H new ATOM 0 HA GLU A 83 1.697 5.187 16.151 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.805 7.064 14.563 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.282 7.463 15.879 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.343 8.482 17.062 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.472 7.164 16.819 1.00 0.00 H new TER 1355 GLU A 83