USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 605 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 3 MET CE :methyl -141:sc= -0.548 (180deg=-2.37!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 7 GLN : amide:sc= -3.72! C(o=-3.7!,f=-5.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 154:sc= -0.179 (180deg=-0.524) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -148:sc= -0.0376 (180deg=-0.895) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0958 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -150:sc= -1.01 USER MOD Single : A 46 MET CE :methyl -138:sc= -0.726 (180deg=-3.53!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -2.03! C(o=-2!,f=-8!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0792 USER MOD Single : A 72 THR OG1 : rot 57:sc= 0.764 USER MOD Single : A 81 MET CE :methyl 165:sc=-0.00279 (180deg=-0.289) USER MOD Single : A 82 MET CE :methyl 164:sc= -0.0359 (180deg=-0.503) USER MOD Single : A 85 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 -8.752 -2.944 -10.396 1.00 0.00 N ATOM 25 CA MET A 3 -8.172 -3.030 -9.027 1.00 0.00 C ATOM 26 C MET A 3 -9.109 -3.841 -8.129 1.00 0.00 C ATOM 27 O MET A 3 -8.678 -4.506 -7.208 1.00 0.00 O ATOM 28 CB MET A 3 -7.998 -1.620 -8.453 1.00 0.00 C ATOM 29 CG MET A 3 -9.350 -0.905 -8.425 1.00 0.00 C ATOM 30 SD MET A 3 -9.336 0.360 -7.130 1.00 0.00 S ATOM 31 CE MET A 3 -9.065 -0.751 -5.728 1.00 0.00 C ATOM 0 HA MET A 3 -7.200 -3.520 -9.073 1.00 0.00 H new ATOM 0 HB2 MET A 3 -7.584 -1.675 -7.446 1.00 0.00 H new ATOM 0 HB3 MET A 3 -7.289 -1.055 -9.059 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.552 -0.447 -9.393 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.149 -1.622 -8.239 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.659 -0.415 -4.878 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.364 -1.763 -6.003 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.009 -0.745 -5.458 1.00 0.00 H new ATOM 41 N THR A 4 -10.387 -3.793 -8.392 1.00 0.00 N ATOM 42 CA THR A 4 -11.347 -4.566 -7.555 1.00 0.00 C ATOM 43 C THR A 4 -11.032 -6.058 -7.671 1.00 0.00 C ATOM 44 O THR A 4 -10.449 -6.649 -6.784 1.00 0.00 O ATOM 45 CB THR A 4 -12.775 -4.301 -8.043 1.00 0.00 C ATOM 46 OG1 THR A 4 -13.191 -3.016 -7.605 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.715 -5.365 -7.476 1.00 0.00 C ATOM 0 H THR A 4 -10.807 -3.253 -9.149 1.00 0.00 H new ATOM 0 HA THR A 4 -11.258 -4.257 -6.514 1.00 0.00 H new ATOM 0 HB THR A 4 -12.801 -4.340 -9.132 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.104 -2.843 -7.917 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.731 -5.176 -7.824 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.394 -6.351 -7.813 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.692 -5.328 -6.387 1.00 0.00 H new ATOM 55 N ASP A 5 -11.410 -6.672 -8.762 1.00 0.00 N ATOM 56 CA ASP A 5 -11.125 -8.124 -8.934 1.00 0.00 C ATOM 57 C ASP A 5 -9.688 -8.402 -8.494 1.00 0.00 C ATOM 58 O ASP A 5 -9.353 -9.492 -8.072 1.00 0.00 O ATOM 59 CB ASP A 5 -11.299 -8.509 -10.406 1.00 0.00 C ATOM 60 CG ASP A 5 -11.357 -10.032 -10.532 1.00 0.00 C ATOM 61 OD1 ASP A 5 -10.868 -10.700 -9.636 1.00 0.00 O ATOM 62 OD2 ASP A 5 -11.890 -10.506 -11.522 1.00 0.00 O ATOM 0 H ASP A 5 -11.902 -6.230 -9.538 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.815 -8.712 -8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.212 -8.066 -10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.471 -8.116 -10.996 1.00 0.00 H new ATOM 67 N GLN A 6 -8.840 -7.416 -8.583 1.00 0.00 N ATOM 68 CA GLN A 6 -7.423 -7.597 -8.166 1.00 0.00 C ATOM 69 C GLN A 6 -7.370 -7.992 -6.688 1.00 0.00 C ATOM 70 O GLN A 6 -6.778 -8.987 -6.321 1.00 0.00 O ATOM 71 CB GLN A 6 -6.679 -6.276 -8.365 1.00 0.00 C ATOM 72 CG GLN A 6 -5.231 -6.555 -8.771 1.00 0.00 C ATOM 73 CD GLN A 6 -4.650 -5.322 -9.468 1.00 0.00 C ATOM 74 OE1 GLN A 6 -3.707 -4.726 -8.986 1.00 0.00 O ATOM 75 NE2 GLN A 6 -5.176 -4.912 -10.591 1.00 0.00 N ATOM 0 H GLN A 6 -9.071 -6.485 -8.930 1.00 0.00 H new ATOM 0 HA GLN A 6 -6.959 -8.381 -8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -7.174 -5.681 -9.133 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -6.703 -5.692 -7.445 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.637 -6.803 -7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.188 -7.417 -9.437 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.967 -5.412 -10.996 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.795 -4.092 -11.063 1.00 0.00 H new ATOM 84 N GLN A 7 -7.983 -7.213 -5.838 1.00 0.00 N ATOM 85 CA GLN A 7 -7.968 -7.532 -4.381 1.00 0.00 C ATOM 86 C GLN A 7 -8.394 -8.985 -4.163 1.00 0.00 C ATOM 87 O GLN A 7 -8.095 -9.582 -3.147 1.00 0.00 O ATOM 88 CB GLN A 7 -8.941 -6.601 -3.651 1.00 0.00 C ATOM 89 CG GLN A 7 -9.166 -7.109 -2.226 1.00 0.00 C ATOM 90 CD GLN A 7 -10.328 -8.106 -2.217 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.148 -9.264 -1.898 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.522 -7.701 -2.557 1.00 0.00 N ATOM 0 H GLN A 7 -8.495 -6.367 -6.090 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.960 -7.392 -3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.542 -5.587 -3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.889 -6.558 -4.186 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.260 -7.586 -1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.384 -6.274 -1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.674 -6.729 -2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.303 -8.357 -2.555 1.00 0.00 H new ATOM 101 N ALA A 8 -9.093 -9.558 -5.102 1.00 0.00 N ATOM 102 CA ALA A 8 -9.541 -10.970 -4.943 1.00 0.00 C ATOM 103 C ALA A 8 -8.327 -11.903 -4.948 1.00 0.00 C ATOM 104 O ALA A 8 -8.083 -12.624 -4.001 1.00 0.00 O ATOM 105 CB ALA A 8 -10.473 -11.342 -6.098 1.00 0.00 C ATOM 0 H ALA A 8 -9.374 -9.109 -5.974 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.071 -11.074 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.801 -12.375 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.341 -10.683 -6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.942 -11.234 -7.044 1.00 0.00 H new ATOM 111 N GLU A 9 -7.568 -11.900 -6.009 1.00 0.00 N ATOM 112 CA GLU A 9 -6.376 -12.793 -6.076 1.00 0.00 C ATOM 113 C GLU A 9 -5.396 -12.437 -4.955 1.00 0.00 C ATOM 114 O GLU A 9 -4.993 -13.282 -4.180 1.00 0.00 O ATOM 115 CB GLU A 9 -5.685 -12.617 -7.430 1.00 0.00 C ATOM 116 CG GLU A 9 -5.699 -13.947 -8.187 1.00 0.00 C ATOM 117 CD GLU A 9 -7.120 -14.248 -8.664 1.00 0.00 C ATOM 118 OE1 GLU A 9 -7.522 -13.677 -9.665 1.00 0.00 O ATOM 119 OE2 GLU A 9 -7.783 -15.045 -8.021 1.00 0.00 O ATOM 0 H GLU A 9 -7.721 -11.318 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.696 -13.828 -5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.194 -11.849 -8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.659 -12.279 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.021 -13.900 -9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.344 -14.749 -7.540 1.00 0.00 H new ATOM 126 N ALA A 10 -5.004 -11.196 -4.866 1.00 0.00 N ATOM 127 CA ALA A 10 -4.044 -10.790 -3.800 1.00 0.00 C ATOM 128 C ALA A 10 -4.491 -11.361 -2.451 1.00 0.00 C ATOM 129 O ALA A 10 -3.756 -12.069 -1.793 1.00 0.00 O ATOM 130 CB ALA A 10 -3.994 -9.264 -3.715 1.00 0.00 C ATOM 0 H ALA A 10 -5.307 -10.445 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.054 -11.177 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.292 -8.966 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.668 -8.857 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.986 -8.880 -3.476 1.00 0.00 H new ATOM 136 N ARG A 11 -5.686 -11.051 -2.031 1.00 0.00 N ATOM 137 CA ARG A 11 -6.174 -11.569 -0.721 1.00 0.00 C ATOM 138 C ARG A 11 -5.985 -13.088 -0.658 1.00 0.00 C ATOM 139 O ARG A 11 -5.479 -13.619 0.311 1.00 0.00 O ATOM 140 CB ARG A 11 -7.658 -11.235 -0.563 1.00 0.00 C ATOM 141 CG ARG A 11 -8.106 -11.564 0.862 1.00 0.00 C ATOM 142 CD ARG A 11 -8.716 -10.319 1.509 1.00 0.00 C ATOM 143 NE ARG A 11 -9.275 -10.677 2.844 1.00 0.00 N ATOM 144 CZ ARG A 11 -9.768 -9.746 3.614 1.00 0.00 C ATOM 145 NH1 ARG A 11 -11.019 -9.396 3.496 1.00 0.00 N ATOM 146 NH2 ARG A 11 -9.009 -9.165 4.502 1.00 0.00 N ATOM 0 H ARG A 11 -6.346 -10.461 -2.538 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.605 -11.103 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.829 -10.179 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.248 -11.804 -1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.836 -12.373 0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.257 -11.912 1.450 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.958 -9.543 1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.501 -9.912 0.871 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.272 -11.648 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.612 -9.850 2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.404 -8.668 4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.031 -9.439 4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.394 -8.437 5.104 1.00 0.00 H new ATOM 160 N ALA A 12 -6.391 -13.790 -1.680 1.00 0.00 N ATOM 161 CA ALA A 12 -6.238 -15.274 -1.672 1.00 0.00 C ATOM 162 C ALA A 12 -4.852 -15.650 -1.141 1.00 0.00 C ATOM 163 O ALA A 12 -4.697 -16.613 -0.416 1.00 0.00 O ATOM 164 CB ALA A 12 -6.401 -15.810 -3.096 1.00 0.00 C ATOM 0 H ALA A 12 -6.821 -13.402 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.000 -15.711 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.289 -16.894 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.390 -15.548 -3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.640 -15.370 -3.740 1.00 0.00 H new ATOM 170 N PHE A 13 -3.841 -14.903 -1.497 1.00 0.00 N ATOM 171 CA PHE A 13 -2.470 -15.228 -1.013 1.00 0.00 C ATOM 172 C PHE A 13 -2.295 -14.728 0.424 1.00 0.00 C ATOM 173 O PHE A 13 -1.615 -15.339 1.224 1.00 0.00 O ATOM 174 CB PHE A 13 -1.437 -14.550 -1.915 1.00 0.00 C ATOM 175 CG PHE A 13 -0.108 -15.256 -1.778 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.099 -16.486 -2.414 1.00 0.00 C ATOM 177 CD2 PHE A 13 0.916 -14.681 -1.017 1.00 0.00 C ATOM 178 CE1 PHE A 13 1.330 -17.140 -2.288 1.00 0.00 C ATOM 179 CE2 PHE A 13 2.147 -15.336 -0.891 1.00 0.00 C ATOM 180 CZ PHE A 13 2.355 -16.565 -1.527 1.00 0.00 C ATOM 0 H PHE A 13 -3.906 -14.084 -2.101 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.327 -16.308 -1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.770 -14.578 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.333 -13.500 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.691 -16.930 -3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.757 -13.732 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.489 -18.089 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.937 -14.892 -0.303 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.305 -17.069 -1.431 1.00 0.00 H new ATOM 190 N LEU A 14 -2.899 -13.621 0.759 1.00 0.00 N ATOM 191 CA LEU A 14 -2.759 -13.085 2.143 1.00 0.00 C ATOM 192 C LEU A 14 -3.833 -13.696 3.046 1.00 0.00 C ATOM 193 O LEU A 14 -4.796 -13.048 3.403 1.00 0.00 O ATOM 194 CB LEU A 14 -2.920 -11.564 2.122 1.00 0.00 C ATOM 195 CG LEU A 14 -2.126 -10.982 0.952 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.576 -9.542 0.697 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.634 -10.996 1.295 1.00 0.00 C ATOM 0 H LEU A 14 -3.483 -13.065 0.135 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.773 -13.343 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.973 -11.301 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.568 -11.138 3.062 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.301 -11.581 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.010 -9.126 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.639 -9.530 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.400 -8.942 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.065 -10.582 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.460 -10.395 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.313 -12.021 1.479 1.00 0.00 H new ATOM 209 N SER A 15 -3.675 -14.936 3.422 1.00 0.00 N ATOM 210 CA SER A 15 -4.689 -15.575 4.307 1.00 0.00 C ATOM 211 C SER A 15 -4.987 -14.647 5.486 1.00 0.00 C ATOM 212 O SER A 15 -4.249 -13.720 5.758 1.00 0.00 O ATOM 213 CB SER A 15 -4.146 -16.907 4.827 1.00 0.00 C ATOM 214 OG SER A 15 -3.067 -16.659 5.718 1.00 0.00 O ATOM 0 H SER A 15 -2.891 -15.532 3.156 1.00 0.00 H new ATOM 0 HA SER A 15 -5.605 -15.754 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.935 -17.460 5.338 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.811 -17.526 3.995 1.00 0.00 H new ATOM 0 HG SER A 15 -2.718 -17.511 6.054 1.00 0.00 H new ATOM 220 N GLU A 16 -6.063 -14.882 6.186 1.00 0.00 N ATOM 221 CA GLU A 16 -6.406 -14.009 7.344 1.00 0.00 C ATOM 222 C GLU A 16 -5.167 -13.803 8.218 1.00 0.00 C ATOM 223 O GLU A 16 -5.033 -12.800 8.893 1.00 0.00 O ATOM 224 CB GLU A 16 -7.510 -14.670 8.172 1.00 0.00 C ATOM 225 CG GLU A 16 -8.865 -14.073 7.787 1.00 0.00 C ATOM 226 CD GLU A 16 -9.869 -14.315 8.915 1.00 0.00 C ATOM 227 OE1 GLU A 16 -10.422 -15.402 8.968 1.00 0.00 O ATOM 228 OE2 GLU A 16 -10.068 -13.410 9.708 1.00 0.00 O ATOM 0 H GLU A 16 -6.720 -15.641 6.006 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.754 -13.043 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.513 -15.746 8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.323 -14.518 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.763 -13.004 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.224 -14.526 6.863 1.00 0.00 H new ATOM 235 N GLU A 17 -4.262 -14.742 8.217 1.00 0.00 N ATOM 236 CA GLU A 17 -3.036 -14.596 9.054 1.00 0.00 C ATOM 237 C GLU A 17 -2.070 -13.615 8.385 1.00 0.00 C ATOM 238 O GLU A 17 -1.525 -12.734 9.019 1.00 0.00 O ATOM 239 CB GLU A 17 -2.355 -15.959 9.204 1.00 0.00 C ATOM 240 CG GLU A 17 -3.253 -16.893 10.019 1.00 0.00 C ATOM 241 CD GLU A 17 -2.556 -17.257 11.331 1.00 0.00 C ATOM 242 OE1 GLU A 17 -1.667 -18.093 11.295 1.00 0.00 O ATOM 243 OE2 GLU A 17 -2.922 -16.695 12.350 1.00 0.00 O ATOM 0 H GLU A 17 -4.317 -15.604 7.674 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.313 -14.217 10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.161 -16.390 8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.390 -15.843 9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.208 -16.409 10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.470 -17.796 9.448 1.00 0.00 H new ATOM 250 N MET A 18 -1.852 -13.761 7.106 1.00 0.00 N ATOM 251 CA MET A 18 -0.918 -12.839 6.399 1.00 0.00 C ATOM 252 C MET A 18 -1.450 -11.406 6.482 1.00 0.00 C ATOM 253 O MET A 18 -0.697 -10.454 6.462 1.00 0.00 O ATOM 254 CB MET A 18 -0.804 -13.261 4.933 1.00 0.00 C ATOM 255 CG MET A 18 -0.029 -14.577 4.840 1.00 0.00 C ATOM 256 SD MET A 18 1.372 -14.372 3.713 1.00 0.00 S ATOM 257 CE MET A 18 1.235 -15.978 2.890 1.00 0.00 C ATOM 0 H MET A 18 -2.280 -14.478 6.521 1.00 0.00 H new ATOM 0 HA MET A 18 0.065 -12.885 6.869 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.797 -13.380 4.499 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.296 -12.486 4.359 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.325 -14.874 5.827 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.683 -15.373 4.483 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.662 -15.912 1.890 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.775 -16.729 3.466 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.185 -16.261 2.818 1.00 0.00 H new ATOM 267 N ILE A 19 -2.742 -11.245 6.578 1.00 0.00 N ATOM 268 CA ILE A 19 -3.317 -9.873 6.663 1.00 0.00 C ATOM 269 C ILE A 19 -3.120 -9.324 8.075 1.00 0.00 C ATOM 270 O ILE A 19 -2.432 -8.346 8.282 1.00 0.00 O ATOM 271 CB ILE A 19 -4.811 -9.925 6.345 1.00 0.00 C ATOM 272 CG1 ILE A 19 -5.014 -10.526 4.953 1.00 0.00 C ATOM 273 CG2 ILE A 19 -5.390 -8.509 6.379 1.00 0.00 C ATOM 274 CD1 ILE A 19 -6.206 -11.484 4.980 1.00 0.00 C ATOM 0 H ILE A 19 -3.423 -12.004 6.601 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.813 -9.225 5.946 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.319 -10.542 7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.187 -9.734 4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.115 -11.056 4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.455 -8.546 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.245 -8.080 7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.883 -7.891 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.351 -11.912 3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.014 -12.283 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.103 -10.940 5.275 1.00 0.00 H new ATOM 286 N ALA A 20 -3.722 -9.947 9.046 1.00 0.00 N ATOM 287 CA ALA A 20 -3.577 -9.464 10.446 1.00 0.00 C ATOM 288 C ALA A 20 -2.094 -9.360 10.805 1.00 0.00 C ATOM 289 O ALA A 20 -1.719 -8.683 11.742 1.00 0.00 O ATOM 290 CB ALA A 20 -4.262 -10.452 11.389 1.00 0.00 C ATOM 0 H ALA A 20 -4.310 -10.772 8.931 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.038 -8.481 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.160 -10.104 12.417 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.319 -10.525 11.134 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.796 -11.432 11.290 1.00 0.00 H new ATOM 296 N GLU A 21 -1.246 -10.026 10.070 1.00 0.00 N ATOM 297 CA GLU A 21 0.212 -9.964 10.372 1.00 0.00 C ATOM 298 C GLU A 21 0.832 -8.752 9.672 1.00 0.00 C ATOM 299 O GLU A 21 1.734 -8.121 10.186 1.00 0.00 O ATOM 300 CB GLU A 21 0.890 -11.241 9.873 1.00 0.00 C ATOM 301 CG GLU A 21 2.203 -11.450 10.628 1.00 0.00 C ATOM 302 CD GLU A 21 3.079 -12.444 9.863 1.00 0.00 C ATOM 303 OE1 GLU A 21 2.582 -13.036 8.918 1.00 0.00 O ATOM 304 OE2 GLU A 21 4.230 -12.598 10.235 1.00 0.00 O ATOM 0 H GLU A 21 -1.500 -10.610 9.273 1.00 0.00 H new ATOM 0 HA GLU A 21 0.354 -9.871 11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.232 -12.097 10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.081 -11.169 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.725 -10.500 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.002 -11.824 11.632 1.00 0.00 H new ATOM 311 N PHE A 22 0.359 -8.422 8.502 1.00 0.00 N ATOM 312 CA PHE A 22 0.925 -7.252 7.774 1.00 0.00 C ATOM 313 C PHE A 22 0.626 -5.970 8.555 1.00 0.00 C ATOM 314 O PHE A 22 1.496 -5.156 8.790 1.00 0.00 O ATOM 315 CB PHE A 22 0.289 -7.161 6.386 1.00 0.00 C ATOM 316 CG PHE A 22 1.354 -7.328 5.328 1.00 0.00 C ATOM 317 CD1 PHE A 22 2.405 -6.408 5.242 1.00 0.00 C ATOM 318 CD2 PHE A 22 1.289 -8.403 4.433 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.392 -6.563 4.260 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.275 -8.557 3.452 1.00 0.00 C ATOM 321 CZ PHE A 22 3.327 -7.638 3.366 1.00 0.00 C ATOM 0 H PHE A 22 -0.394 -8.912 8.019 1.00 0.00 H new ATOM 0 HA PHE A 22 2.004 -7.374 7.674 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.474 -7.932 6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.209 -6.199 6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.455 -5.579 5.932 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.478 -9.113 4.500 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.203 -5.853 4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.224 -9.385 2.761 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.089 -7.758 2.610 1.00 0.00 H new ATOM 331 N LYS A 23 -0.602 -5.784 8.957 1.00 0.00 N ATOM 332 CA LYS A 23 -0.961 -4.555 9.719 1.00 0.00 C ATOM 333 C LYS A 23 0.098 -4.279 10.789 1.00 0.00 C ATOM 334 O LYS A 23 0.366 -3.146 11.132 1.00 0.00 O ATOM 335 CB LYS A 23 -2.322 -4.752 10.391 1.00 0.00 C ATOM 336 CG LYS A 23 -2.643 -3.535 11.261 1.00 0.00 C ATOM 337 CD LYS A 23 -3.800 -2.751 10.637 1.00 0.00 C ATOM 338 CE LYS A 23 -5.125 -3.432 10.981 1.00 0.00 C ATOM 339 NZ LYS A 23 -5.582 -2.978 12.326 1.00 0.00 N ATOM 0 H LYS A 23 -1.373 -6.431 8.790 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.009 -3.709 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.096 -4.887 9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.311 -5.655 11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.908 -3.855 12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.764 -2.897 11.350 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.799 -1.726 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.676 -2.699 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.876 -3.191 10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.003 -4.515 10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.483 -3.441 12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.868 -3.230 13.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.714 -1.946 12.318 1.00 0.00 H new ATOM 353 N ALA A 24 0.697 -5.306 11.326 1.00 0.00 N ATOM 354 CA ALA A 24 1.731 -5.096 12.379 1.00 0.00 C ATOM 355 C ALA A 24 2.834 -4.179 11.845 1.00 0.00 C ATOM 356 O ALA A 24 3.028 -3.081 12.327 1.00 0.00 O ATOM 357 CB ALA A 24 2.337 -6.444 12.778 1.00 0.00 C ATOM 0 H ALA A 24 0.516 -6.280 11.082 1.00 0.00 H new ATOM 0 HA ALA A 24 1.267 -4.633 13.250 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.093 -6.289 13.548 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.553 -7.095 13.165 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.797 -6.908 11.906 1.00 0.00 H new ATOM 363 N ALA A 25 3.561 -4.621 10.854 1.00 0.00 N ATOM 364 CA ALA A 25 4.655 -3.775 10.297 1.00 0.00 C ATOM 365 C ALA A 25 4.102 -2.401 9.909 1.00 0.00 C ATOM 366 O ALA A 25 4.837 -1.446 9.762 1.00 0.00 O ATOM 367 CB ALA A 25 5.241 -4.454 9.057 1.00 0.00 C ATOM 0 H ALA A 25 3.445 -5.530 10.407 1.00 0.00 H new ATOM 0 HA ALA A 25 5.433 -3.651 11.051 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.041 -3.837 8.648 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.640 -5.431 9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.460 -4.579 8.307 1.00 0.00 H new ATOM 373 N PHE A 26 2.812 -2.292 9.741 1.00 0.00 N ATOM 374 CA PHE A 26 2.219 -0.979 9.360 1.00 0.00 C ATOM 375 C PHE A 26 2.637 0.091 10.373 1.00 0.00 C ATOM 376 O PHE A 26 2.977 1.201 10.014 1.00 0.00 O ATOM 377 CB PHE A 26 0.694 -1.093 9.343 1.00 0.00 C ATOM 378 CG PHE A 26 0.132 -0.173 8.286 1.00 0.00 C ATOM 379 CD1 PHE A 26 0.021 1.200 8.538 1.00 0.00 C ATOM 380 CD2 PHE A 26 -0.278 -0.694 7.053 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.499 2.052 7.557 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.798 0.159 6.072 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.908 1.532 6.324 1.00 0.00 C ATOM 0 H PHE A 26 2.144 -3.055 9.851 1.00 0.00 H new ATOM 0 HA PHE A 26 2.576 -0.698 8.369 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.398 -2.122 9.139 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.288 -0.832 10.320 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.337 1.602 9.490 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.193 -1.753 6.859 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.585 3.111 7.752 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.114 -0.242 5.121 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.309 2.190 5.567 1.00 0.00 H new ATOM 393 N ASP A 27 2.613 -0.233 11.637 1.00 0.00 N ATOM 394 CA ASP A 27 3.005 0.765 12.672 1.00 0.00 C ATOM 395 C ASP A 27 4.261 1.511 12.219 1.00 0.00 C ATOM 396 O ASP A 27 4.352 2.718 12.331 1.00 0.00 O ATOM 397 CB ASP A 27 3.291 0.046 13.992 1.00 0.00 C ATOM 398 CG ASP A 27 2.648 0.817 15.144 1.00 0.00 C ATOM 399 OD1 ASP A 27 3.060 1.941 15.381 1.00 0.00 O ATOM 400 OD2 ASP A 27 1.754 0.272 15.770 1.00 0.00 O ATOM 0 H ASP A 27 2.339 -1.147 11.998 1.00 0.00 H new ATOM 0 HA ASP A 27 2.191 1.477 12.812 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.898 -0.970 13.957 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.367 -0.033 14.149 1.00 0.00 H new ATOM 405 N MET A 28 5.234 0.806 11.709 1.00 0.00 N ATOM 406 CA MET A 28 6.483 1.477 11.254 1.00 0.00 C ATOM 407 C MET A 28 6.130 2.657 10.345 1.00 0.00 C ATOM 408 O MET A 28 6.411 3.798 10.657 1.00 0.00 O ATOM 409 CB MET A 28 7.346 0.479 10.479 1.00 0.00 C ATOM 410 CG MET A 28 8.000 -0.498 11.459 1.00 0.00 C ATOM 411 SD MET A 28 9.770 -0.614 11.104 1.00 0.00 S ATOM 412 CE MET A 28 9.620 -1.187 9.393 1.00 0.00 C ATOM 0 H MET A 28 5.217 -0.207 11.588 1.00 0.00 H new ATOM 0 HA MET A 28 7.035 1.839 12.121 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.734 -0.065 9.760 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.111 1.008 9.911 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.845 -0.160 12.484 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.536 -1.481 11.374 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.459 -1.840 9.153 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.686 -1.737 9.274 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.624 -0.329 8.720 1.00 0.00 H new ATOM 422 N PHE A 29 5.517 2.395 9.224 1.00 0.00 N ATOM 423 CA PHE A 29 5.151 3.503 8.298 1.00 0.00 C ATOM 424 C PHE A 29 4.393 4.584 9.070 1.00 0.00 C ATOM 425 O PHE A 29 4.944 5.605 9.431 1.00 0.00 O ATOM 426 CB PHE A 29 4.264 2.962 7.175 1.00 0.00 C ATOM 427 CG PHE A 29 5.125 2.591 5.991 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.956 1.465 6.057 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.094 3.371 4.829 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.755 1.120 4.960 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.894 3.025 3.732 1.00 0.00 C ATOM 432 CZ PHE A 29 6.724 1.901 3.799 1.00 0.00 C ATOM 0 H PHE A 29 5.254 1.461 8.909 1.00 0.00 H new ATOM 0 HA PHE A 29 6.058 3.930 7.869 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.709 2.091 7.523 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.529 3.712 6.883 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.980 0.863 6.954 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.454 4.239 4.778 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.395 0.251 5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.870 3.626 2.835 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.342 1.636 2.954 1.00 0.00 H new ATOM 442 N ASP A 30 3.131 4.369 9.326 1.00 0.00 N ATOM 443 CA ASP A 30 2.339 5.387 10.074 1.00 0.00 C ATOM 444 C ASP A 30 2.984 5.630 11.440 1.00 0.00 C ATOM 445 O ASP A 30 3.084 4.737 12.258 1.00 0.00 O ATOM 446 CB ASP A 30 0.909 4.878 10.270 1.00 0.00 C ATOM 447 CG ASP A 30 -0.082 5.965 9.850 1.00 0.00 C ATOM 448 OD1 ASP A 30 0.064 6.481 8.754 1.00 0.00 O ATOM 449 OD2 ASP A 30 -0.970 6.262 10.632 1.00 0.00 O ATOM 0 H ASP A 30 2.615 3.534 9.050 1.00 0.00 H new ATOM 0 HA ASP A 30 2.319 6.319 9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.748 3.977 9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.748 4.608 11.314 1.00 0.00 H new ATOM 454 N ALA A 31 3.422 6.832 11.694 1.00 0.00 N ATOM 455 CA ALA A 31 4.058 7.131 13.008 1.00 0.00 C ATOM 456 C ALA A 31 2.986 7.590 13.999 1.00 0.00 C ATOM 457 O ALA A 31 2.644 6.888 14.929 1.00 0.00 O ATOM 458 CB ALA A 31 5.098 8.239 12.832 1.00 0.00 C ATOM 0 H ALA A 31 3.367 7.620 11.049 1.00 0.00 H new ATOM 0 HA ALA A 31 4.546 6.234 13.389 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.563 8.458 13.793 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.861 7.913 12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.612 9.137 12.452 1.00 0.00 H new ATOM 464 N ASP A 32 2.452 8.764 13.805 1.00 0.00 N ATOM 465 CA ASP A 32 1.401 9.268 14.734 1.00 0.00 C ATOM 466 C ASP A 32 0.055 9.307 14.007 1.00 0.00 C ATOM 467 O ASP A 32 -0.650 10.297 14.042 1.00 0.00 O ATOM 468 CB ASP A 32 1.767 10.678 15.204 1.00 0.00 C ATOM 469 CG ASP A 32 2.502 11.417 14.083 1.00 0.00 C ATOM 470 OD1 ASP A 32 1.888 11.657 13.057 1.00 0.00 O ATOM 471 OD2 ASP A 32 3.667 11.729 14.271 1.00 0.00 O ATOM 0 H ASP A 32 2.698 9.396 13.043 1.00 0.00 H new ATOM 0 HA ASP A 32 1.331 8.605 15.596 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.866 11.224 15.484 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.397 10.624 16.092 1.00 0.00 H new ATOM 476 N GLY A 33 -0.310 8.240 13.350 1.00 0.00 N ATOM 477 CA GLY A 33 -1.612 8.224 12.624 1.00 0.00 C ATOM 478 C GLY A 33 -2.472 7.071 13.141 1.00 0.00 C ATOM 479 O GLY A 33 -3.578 7.268 13.604 1.00 0.00 O ATOM 0 H GLY A 33 0.235 7.381 13.284 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.132 9.171 12.767 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.442 8.113 11.553 1.00 0.00 H new ATOM 483 N GLY A 34 -1.974 5.867 13.066 1.00 0.00 N ATOM 484 CA GLY A 34 -2.763 4.701 13.554 1.00 0.00 C ATOM 485 C GLY A 34 -2.546 3.512 12.618 1.00 0.00 C ATOM 486 O GLY A 34 -2.152 2.442 13.039 1.00 0.00 O ATOM 0 H GLY A 34 -1.054 5.641 12.688 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.458 4.440 14.567 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.822 4.956 13.596 1.00 0.00 H new ATOM 490 N GLY A 35 -2.797 3.688 11.349 1.00 0.00 N ATOM 491 CA GLY A 35 -2.603 2.566 10.386 1.00 0.00 C ATOM 492 C GLY A 35 -3.015 3.014 8.983 1.00 0.00 C ATOM 493 O GLY A 35 -3.829 2.388 8.334 1.00 0.00 O ATOM 0 H GLY A 35 -3.128 4.560 10.937 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.560 2.250 10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.196 1.704 10.692 1.00 0.00 H new ATOM 497 N ASP A 36 -2.456 4.094 8.508 1.00 0.00 N ATOM 498 CA ASP A 36 -2.809 4.587 7.147 1.00 0.00 C ATOM 499 C ASP A 36 -2.004 5.853 6.846 1.00 0.00 C ATOM 500 O ASP A 36 -2.299 6.920 7.347 1.00 0.00 O ATOM 501 CB ASP A 36 -4.305 4.907 7.093 1.00 0.00 C ATOM 502 CG ASP A 36 -4.650 5.916 8.189 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.702 5.516 9.340 1.00 0.00 O ATOM 504 OD2 ASP A 36 -4.856 7.073 7.859 1.00 0.00 O ATOM 0 H ASP A 36 -1.767 4.658 9.006 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.576 3.821 6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.566 5.312 6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.888 3.996 7.226 1.00 0.00 H new ATOM 509 N ILE A 37 -0.987 5.745 6.036 1.00 0.00 N ATOM 510 CA ILE A 37 -0.163 6.945 5.712 1.00 0.00 C ATOM 511 C ILE A 37 -0.825 7.731 4.580 1.00 0.00 C ATOM 512 O ILE A 37 -1.366 7.166 3.651 1.00 0.00 O ATOM 513 CB ILE A 37 1.238 6.513 5.271 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.614 5.196 5.955 1.00 0.00 C ATOM 515 CG2 ILE A 37 2.250 7.592 5.659 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.511 4.050 4.946 1.00 0.00 C ATOM 0 H ILE A 37 -0.691 4.879 5.585 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.086 7.572 6.600 1.00 0.00 H new ATOM 0 HB ILE A 37 1.247 6.374 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.628 5.256 6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.952 5.011 6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.248 7.285 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.988 8.530 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.237 7.732 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.779 3.112 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.489 3.986 4.571 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.191 4.235 4.115 1.00 0.00 H new ATOM 528 N SER A 38 -0.779 9.034 4.645 1.00 0.00 N ATOM 529 CA SER A 38 -1.397 9.855 3.568 1.00 0.00 C ATOM 530 C SER A 38 -0.366 10.078 2.461 1.00 0.00 C ATOM 531 O SER A 38 0.732 9.560 2.512 1.00 0.00 O ATOM 532 CB SER A 38 -1.832 11.207 4.137 1.00 0.00 C ATOM 533 OG SER A 38 -1.039 11.515 5.275 1.00 0.00 O ATOM 0 H SER A 38 -0.340 9.564 5.398 1.00 0.00 H new ATOM 0 HA SER A 38 -2.268 9.338 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.722 11.985 3.381 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.886 11.177 4.412 1.00 0.00 H new ATOM 0 HG SER A 38 -1.314 12.382 5.641 1.00 0.00 H new ATOM 539 N THR A 39 -0.703 10.845 1.462 1.00 0.00 N ATOM 540 CA THR A 39 0.270 11.095 0.362 1.00 0.00 C ATOM 541 C THR A 39 1.391 11.997 0.878 1.00 0.00 C ATOM 542 O THR A 39 2.504 11.959 0.393 1.00 0.00 O ATOM 543 CB THR A 39 -0.439 11.775 -0.811 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.902 13.055 -0.405 1.00 0.00 O ATOM 545 CG2 THR A 39 -1.623 10.918 -1.262 1.00 0.00 C ATOM 0 H THR A 39 -1.606 11.308 1.359 1.00 0.00 H new ATOM 0 HA THR A 39 0.689 10.147 0.024 1.00 0.00 H new ATOM 0 HB THR A 39 0.258 11.888 -1.641 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.355 13.492 -1.156 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.127 11.404 -2.098 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.264 9.938 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.323 10.801 -0.435 1.00 0.00 H new ATOM 553 N LYS A 40 1.109 12.807 1.863 1.00 0.00 N ATOM 554 CA LYS A 40 2.162 13.706 2.412 1.00 0.00 C ATOM 555 C LYS A 40 3.406 12.877 2.738 1.00 0.00 C ATOM 556 O LYS A 40 4.454 13.055 2.150 1.00 0.00 O ATOM 557 CB LYS A 40 1.648 14.379 3.687 1.00 0.00 C ATOM 558 CG LYS A 40 2.638 15.458 4.129 1.00 0.00 C ATOM 559 CD LYS A 40 3.739 14.824 4.982 1.00 0.00 C ATOM 560 CE LYS A 40 4.126 15.780 6.112 1.00 0.00 C ATOM 561 NZ LYS A 40 5.506 15.463 6.583 1.00 0.00 N ATOM 0 H LYS A 40 0.195 12.884 2.310 1.00 0.00 H new ATOM 0 HA LYS A 40 2.411 14.471 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.668 14.821 3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.524 13.639 4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.074 15.945 3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.121 16.229 4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.393 13.877 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.610 14.603 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.078 16.811 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.419 15.690 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.769 16.113 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.537 14.484 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.175 15.571 5.794 1.00 0.00 H new ATOM 575 N GLU A 41 3.296 11.968 3.667 1.00 0.00 N ATOM 576 CA GLU A 41 4.469 11.125 4.025 1.00 0.00 C ATOM 577 C GLU A 41 4.738 10.132 2.894 1.00 0.00 C ATOM 578 O GLU A 41 5.869 9.795 2.606 1.00 0.00 O ATOM 579 CB GLU A 41 4.176 10.360 5.317 1.00 0.00 C ATOM 580 CG GLU A 41 5.493 10.005 6.009 1.00 0.00 C ATOM 581 CD GLU A 41 5.712 10.938 7.201 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.045 11.959 7.259 1.00 0.00 O ATOM 583 OE2 GLU A 41 6.540 10.617 8.037 1.00 0.00 O ATOM 0 H GLU A 41 2.444 11.773 4.193 1.00 0.00 H new ATOM 0 HA GLU A 41 5.343 11.759 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.557 10.966 5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.613 9.453 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.472 8.968 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.321 10.095 5.306 1.00 0.00 H new ATOM 590 N LEU A 42 3.706 9.662 2.246 1.00 0.00 N ATOM 591 CA LEU A 42 3.906 8.694 1.132 1.00 0.00 C ATOM 592 C LEU A 42 4.952 9.252 0.165 1.00 0.00 C ATOM 593 O LEU A 42 5.635 8.518 -0.520 1.00 0.00 O ATOM 594 CB LEU A 42 2.584 8.485 0.389 1.00 0.00 C ATOM 595 CG LEU A 42 2.681 7.237 -0.488 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.709 5.991 0.398 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.470 7.171 -1.421 1.00 0.00 C ATOM 0 H LEU A 42 2.735 9.907 2.440 1.00 0.00 H new ATOM 0 HA LEU A 42 4.247 7.740 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.767 8.378 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.358 9.357 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 42 3.594 7.282 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.778 5.101 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.572 6.036 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.796 5.947 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.540 6.281 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.556 7.127 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.450 8.058 -2.054 1.00 0.00 H new ATOM 609 N GLY A 43 5.083 10.550 0.107 1.00 0.00 N ATOM 610 CA GLY A 43 6.086 11.159 -0.810 1.00 0.00 C ATOM 611 C GLY A 43 7.375 11.440 -0.037 1.00 0.00 C ATOM 612 O GLY A 43 8.465 11.274 -0.547 1.00 0.00 O ATOM 0 H GLY A 43 4.538 11.215 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.288 10.487 -1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.694 12.084 -1.234 1.00 0.00 H new ATOM 616 N THR A 44 7.259 11.862 1.193 1.00 0.00 N ATOM 617 CA THR A 44 8.477 12.150 2.000 1.00 0.00 C ATOM 618 C THR A 44 9.097 10.834 2.477 1.00 0.00 C ATOM 619 O THR A 44 10.107 10.821 3.154 1.00 0.00 O ATOM 620 CB THR A 44 8.098 13.006 3.211 1.00 0.00 C ATOM 621 OG1 THR A 44 6.740 13.406 3.098 1.00 0.00 O ATOM 622 CG2 THR A 44 8.995 14.243 3.262 1.00 0.00 C ATOM 0 H THR A 44 6.373 12.019 1.673 1.00 0.00 H new ATOM 0 HA THR A 44 9.199 12.690 1.387 1.00 0.00 H new ATOM 0 HB THR A 44 8.231 12.426 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.616 14.272 3.539 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.725 14.853 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.037 13.934 3.348 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.863 14.826 2.350 1.00 0.00 H new ATOM 630 N VAL A 45 8.505 9.725 2.124 1.00 0.00 N ATOM 631 CA VAL A 45 9.064 8.413 2.550 1.00 0.00 C ATOM 632 C VAL A 45 10.099 7.961 1.520 1.00 0.00 C ATOM 633 O VAL A 45 11.162 7.482 1.860 1.00 0.00 O ATOM 634 CB VAL A 45 7.937 7.381 2.638 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.414 7.071 1.234 1.00 0.00 C ATOM 636 CG2 VAL A 45 8.471 6.096 3.277 1.00 0.00 C ATOM 0 H VAL A 45 7.658 9.672 1.559 1.00 0.00 H new ATOM 0 HA VAL A 45 9.535 8.509 3.528 1.00 0.00 H new ATOM 0 HB VAL A 45 7.126 7.782 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.612 6.336 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.033 7.985 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.224 6.671 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.669 5.361 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.282 5.697 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.842 6.315 4.278 1.00 0.00 H new ATOM 646 N MET A 46 9.799 8.124 0.260 1.00 0.00 N ATOM 647 CA MET A 46 10.767 7.720 -0.795 1.00 0.00 C ATOM 648 C MET A 46 11.774 8.850 -0.998 1.00 0.00 C ATOM 649 O MET A 46 12.901 8.630 -1.395 1.00 0.00 O ATOM 650 CB MET A 46 10.019 7.460 -2.104 1.00 0.00 C ATOM 651 CG MET A 46 10.239 6.009 -2.537 1.00 0.00 C ATOM 652 SD MET A 46 8.665 5.296 -3.075 1.00 0.00 S ATOM 653 CE MET A 46 7.968 5.016 -1.430 1.00 0.00 C ATOM 0 H MET A 46 8.924 8.520 -0.083 1.00 0.00 H new ATOM 0 HA MET A 46 11.286 6.810 -0.493 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.955 7.654 -1.972 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.373 8.140 -2.879 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.966 5.966 -3.348 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.649 5.430 -1.710 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.476 4.044 -1.404 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.766 5.039 -0.688 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.241 5.797 -1.205 1.00 0.00 H new ATOM 663 N ARG A 47 11.377 10.063 -0.722 1.00 0.00 N ATOM 664 CA ARG A 47 12.309 11.211 -0.892 1.00 0.00 C ATOM 665 C ARG A 47 13.636 10.879 -0.211 1.00 0.00 C ATOM 666 O ARG A 47 14.699 11.149 -0.735 1.00 0.00 O ATOM 667 CB ARG A 47 11.705 12.462 -0.251 1.00 0.00 C ATOM 668 CG ARG A 47 12.458 13.702 -0.737 1.00 0.00 C ATOM 669 CD ARG A 47 13.623 13.995 0.212 1.00 0.00 C ATOM 670 NE ARG A 47 13.124 14.757 1.390 1.00 0.00 N ATOM 671 CZ ARG A 47 13.683 14.592 2.558 1.00 0.00 C ATOM 672 NH1 ARG A 47 14.034 13.398 2.950 1.00 0.00 N ATOM 673 NH2 ARG A 47 13.890 15.620 3.334 1.00 0.00 N ATOM 0 H ARG A 47 10.446 10.307 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 47 12.474 11.396 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.649 12.541 -0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.764 12.391 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.830 13.541 -1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.784 14.558 -0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.084 13.063 0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.393 14.568 -0.306 1.00 0.00 H new ATOM 0 HE ARG A 47 12.346 15.408 1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.872 12.594 2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.471 13.269 3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.615 16.553 3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.327 15.490 4.247 1.00 0.00 H new ATOM 687 N MET A 48 13.584 10.293 0.954 1.00 0.00 N ATOM 688 CA MET A 48 14.845 9.941 1.662 1.00 0.00 C ATOM 689 C MET A 48 15.798 9.258 0.679 1.00 0.00 C ATOM 690 O MET A 48 16.544 9.906 -0.027 1.00 0.00 O ATOM 691 CB MET A 48 14.533 8.990 2.820 1.00 0.00 C ATOM 692 CG MET A 48 14.402 9.788 4.118 1.00 0.00 C ATOM 693 SD MET A 48 14.668 8.690 5.533 1.00 0.00 S ATOM 694 CE MET A 48 13.406 9.402 6.615 1.00 0.00 C ATOM 0 H MET A 48 12.725 10.044 1.444 1.00 0.00 H new ATOM 0 HA MET A 48 15.311 10.845 2.055 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.609 8.448 2.620 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.324 8.247 2.917 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.129 10.600 4.133 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.414 10.244 4.179 1.00 0.00 H new ATOM 0 HE1 MET A 48 13.396 8.866 7.564 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.632 10.453 6.795 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.429 9.317 6.139 1.00 0.00 H new ATOM 704 N LEU A 49 15.776 7.954 0.623 1.00 0.00 N ATOM 705 CA LEU A 49 16.676 7.234 -0.320 1.00 0.00 C ATOM 706 C LEU A 49 15.959 7.038 -1.657 1.00 0.00 C ATOM 707 O LEU A 49 16.043 5.991 -2.268 1.00 0.00 O ATOM 708 CB LEU A 49 17.042 5.870 0.269 1.00 0.00 C ATOM 709 CG LEU A 49 15.788 4.999 0.364 1.00 0.00 C ATOM 710 CD1 LEU A 49 16.091 3.604 -0.185 1.00 0.00 C ATOM 711 CD2 LEU A 49 15.357 4.887 1.828 1.00 0.00 C ATOM 0 H LEU A 49 15.174 7.357 1.190 1.00 0.00 H new ATOM 0 HA LEU A 49 17.583 7.817 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 49 17.790 5.382 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 49 17.485 5.996 1.257 1.00 0.00 H new ATOM 0 HG LEU A 49 14.986 5.452 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.197 2.984 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.400 3.682 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.893 3.150 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.463 4.267 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.160 4.434 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.140 5.881 2.221 1.00 0.00 H new ATOM 723 N GLY A 50 15.249 8.033 -2.116 1.00 0.00 N ATOM 724 CA GLY A 50 14.525 7.893 -3.413 1.00 0.00 C ATOM 725 C GLY A 50 14.715 9.158 -4.254 1.00 0.00 C ATOM 726 O GLY A 50 15.823 9.555 -4.554 1.00 0.00 O ATOM 0 H GLY A 50 15.139 8.934 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.898 7.025 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.464 7.723 -3.231 1.00 0.00 H new ATOM 730 N GLN A 51 13.640 9.790 -4.642 1.00 0.00 N ATOM 731 CA GLN A 51 13.751 11.025 -5.469 1.00 0.00 C ATOM 732 C GLN A 51 12.706 12.010 -4.989 1.00 0.00 C ATOM 733 O GLN A 51 11.637 11.613 -4.571 1.00 0.00 O ATOM 734 CB GLN A 51 13.445 10.710 -6.938 1.00 0.00 C ATOM 735 CG GLN A 51 13.381 9.196 -7.162 1.00 0.00 C ATOM 736 CD GLN A 51 13.594 8.888 -8.645 1.00 0.00 C ATOM 737 OE1 GLN A 51 14.568 8.262 -9.015 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.718 9.305 -9.518 1.00 0.00 N ATOM 0 H GLN A 51 12.687 9.503 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 51 14.760 11.426 -5.379 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.497 11.166 -7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 51 14.213 11.146 -7.577 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.143 8.697 -6.563 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.415 8.810 -6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.900 9.830 -9.209 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.851 9.105 -10.509 1.00 0.00 H new ATOM 747 N ASN A 52 12.948 13.289 -5.058 1.00 0.00 N ATOM 748 CA ASN A 52 11.865 14.180 -4.606 1.00 0.00 C ATOM 749 C ASN A 52 10.693 13.905 -5.547 1.00 0.00 C ATOM 750 O ASN A 52 10.852 13.953 -6.750 1.00 0.00 O ATOM 751 CB ASN A 52 12.301 15.641 -4.739 1.00 0.00 C ATOM 752 CG ASN A 52 13.435 15.927 -3.753 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.658 15.171 -2.829 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.166 16.997 -3.911 1.00 0.00 N ATOM 0 H ASN A 52 13.805 13.732 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 52 11.604 14.004 -3.562 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.632 15.842 -5.758 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.458 16.303 -4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.924 17.198 -3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.979 17.632 -4.687 1.00 0.00 H new ATOM 761 N PRO A 53 9.554 13.625 -4.988 1.00 0.00 N ATOM 762 CA PRO A 53 8.350 13.340 -5.770 1.00 0.00 C ATOM 763 C PRO A 53 7.528 14.616 -5.986 1.00 0.00 C ATOM 764 O PRO A 53 8.035 15.716 -5.895 1.00 0.00 O ATOM 765 CB PRO A 53 7.604 12.354 -4.871 1.00 0.00 C ATOM 766 CG PRO A 53 8.109 12.609 -3.427 1.00 0.00 C ATOM 767 CD PRO A 53 9.362 13.493 -3.537 1.00 0.00 C ATOM 0 HA PRO A 53 8.555 12.952 -6.768 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.527 12.506 -4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.801 11.326 -5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.341 13.102 -2.831 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.344 11.668 -2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.214 14.462 -3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.224 13.030 -3.057 1.00 0.00 H new ATOM 775 N THR A 54 6.262 14.472 -6.269 1.00 0.00 N ATOM 776 CA THR A 54 5.401 15.669 -6.487 1.00 0.00 C ATOM 777 C THR A 54 4.094 15.491 -5.714 1.00 0.00 C ATOM 778 O THR A 54 3.821 14.437 -5.173 1.00 0.00 O ATOM 779 CB THR A 54 5.091 15.810 -7.980 1.00 0.00 C ATOM 780 OG1 THR A 54 6.301 15.737 -8.723 1.00 0.00 O ATOM 781 CG2 THR A 54 4.412 17.155 -8.241 1.00 0.00 C ATOM 0 H THR A 54 5.786 13.574 -6.359 1.00 0.00 H new ATOM 0 HA THR A 54 5.919 16.562 -6.138 1.00 0.00 H new ATOM 0 HB THR A 54 4.424 15.005 -8.288 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.104 15.826 -9.679 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.193 17.252 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.483 17.210 -7.673 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.075 17.963 -7.932 1.00 0.00 H new ATOM 789 N LYS A 55 3.281 16.509 -5.655 1.00 0.00 N ATOM 790 CA LYS A 55 1.994 16.387 -4.918 1.00 0.00 C ATOM 791 C LYS A 55 1.081 15.409 -5.653 1.00 0.00 C ATOM 792 O LYS A 55 0.367 14.633 -5.049 1.00 0.00 O ATOM 793 CB LYS A 55 1.312 17.753 -4.849 1.00 0.00 C ATOM 794 CG LYS A 55 0.014 17.636 -4.049 1.00 0.00 C ATOM 795 CD LYS A 55 -1.135 18.250 -4.852 1.00 0.00 C ATOM 796 CE LYS A 55 -2.412 17.444 -4.615 1.00 0.00 C ATOM 797 NZ LYS A 55 -3.487 18.350 -4.120 1.00 0.00 N ATOM 0 H LYS A 55 3.452 17.418 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 55 2.188 16.024 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.976 18.479 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.100 18.117 -5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.199 16.589 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.117 18.147 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.287 19.287 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.888 18.256 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.726 16.961 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.226 16.653 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.356 17.802 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.185 18.791 -3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.671 19.090 -4.828 1.00 0.00 H new ATOM 811 N GLU A 56 1.095 15.442 -6.956 1.00 0.00 N ATOM 812 CA GLU A 56 0.225 14.519 -7.733 1.00 0.00 C ATOM 813 C GLU A 56 0.974 13.212 -7.997 1.00 0.00 C ATOM 814 O GLU A 56 0.402 12.235 -8.438 1.00 0.00 O ATOM 815 CB GLU A 56 -0.148 15.172 -9.066 1.00 0.00 C ATOM 816 CG GLU A 56 -1.400 14.500 -9.632 1.00 0.00 C ATOM 817 CD GLU A 56 -1.398 14.624 -11.158 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.736 15.518 -11.658 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.059 13.823 -11.798 1.00 0.00 O ATOM 0 H GLU A 56 1.672 16.069 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.681 14.309 -7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.328 16.238 -8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.678 15.080 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.425 13.450 -9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.295 14.966 -9.219 1.00 0.00 H new ATOM 826 N GLU A 57 2.252 13.188 -7.735 1.00 0.00 N ATOM 827 CA GLU A 57 3.040 11.945 -7.973 1.00 0.00 C ATOM 828 C GLU A 57 2.527 10.829 -7.061 1.00 0.00 C ATOM 829 O GLU A 57 2.498 9.673 -7.434 1.00 0.00 O ATOM 830 CB GLU A 57 4.516 12.212 -7.672 1.00 0.00 C ATOM 831 CG GLU A 57 5.383 11.201 -8.424 1.00 0.00 C ATOM 832 CD GLU A 57 5.646 11.708 -9.843 1.00 0.00 C ATOM 833 OE1 GLU A 57 4.684 11.984 -10.540 1.00 0.00 O ATOM 834 OE2 GLU A 57 6.805 11.811 -10.209 1.00 0.00 O ATOM 0 H GLU A 57 2.785 13.976 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 57 2.930 11.640 -9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.781 13.226 -7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.699 12.137 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.327 11.054 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.883 10.233 -8.459 1.00 0.00 H new ATOM 841 N LEU A 58 2.119 11.164 -5.866 1.00 0.00 N ATOM 842 CA LEU A 58 1.607 10.119 -4.935 1.00 0.00 C ATOM 843 C LEU A 58 0.117 9.891 -5.197 1.00 0.00 C ATOM 844 O LEU A 58 -0.477 8.959 -4.691 1.00 0.00 O ATOM 845 CB LEU A 58 1.810 10.578 -3.490 1.00 0.00 C ATOM 846 CG LEU A 58 3.306 10.607 -3.171 1.00 0.00 C ATOM 847 CD1 LEU A 58 3.936 9.263 -3.548 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.974 11.725 -3.973 1.00 0.00 C ATOM 0 H LEU A 58 2.118 12.114 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 58 2.150 9.188 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.377 11.568 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.294 9.903 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 58 3.447 10.787 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.002 9.284 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.459 8.465 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.796 9.082 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.040 11.748 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.832 11.543 -5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.526 12.682 -3.706 1.00 0.00 H new ATOM 860 N ASP A 59 -0.492 10.733 -5.987 1.00 0.00 N ATOM 861 CA ASP A 59 -1.942 10.562 -6.285 1.00 0.00 C ATOM 862 C ASP A 59 -2.115 9.486 -7.359 1.00 0.00 C ATOM 863 O ASP A 59 -3.069 8.732 -7.347 1.00 0.00 O ATOM 864 CB ASP A 59 -2.516 11.887 -6.794 1.00 0.00 C ATOM 865 CG ASP A 59 -3.163 12.644 -5.632 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.272 12.292 -5.264 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.539 13.565 -5.131 1.00 0.00 O ATOM 0 H ASP A 59 -0.048 11.532 -6.439 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.469 10.261 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.725 12.491 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.253 11.700 -7.575 1.00 0.00 H new ATOM 872 N ALA A 60 -1.200 9.408 -8.286 1.00 0.00 N ATOM 873 CA ALA A 60 -1.313 8.380 -9.359 1.00 0.00 C ATOM 874 C ALA A 60 -1.344 6.989 -8.724 1.00 0.00 C ATOM 875 O ALA A 60 -2.235 6.203 -8.974 1.00 0.00 O ATOM 876 CB ALA A 60 -0.110 8.489 -10.298 1.00 0.00 C ATOM 0 H ALA A 60 -0.380 10.011 -8.347 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.229 8.542 -9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.192 7.737 -11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.088 9.482 -10.747 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.808 8.326 -9.734 1.00 0.00 H new ATOM 882 N ILE A 61 -0.383 6.681 -7.897 1.00 0.00 N ATOM 883 CA ILE A 61 -0.375 5.341 -7.244 1.00 0.00 C ATOM 884 C ILE A 61 -1.596 5.233 -6.333 1.00 0.00 C ATOM 885 O ILE A 61 -2.281 4.229 -6.311 1.00 0.00 O ATOM 886 CB ILE A 61 0.895 5.171 -6.407 1.00 0.00 C ATOM 887 CG1 ILE A 61 2.051 5.928 -7.061 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.252 3.688 -6.314 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.340 7.192 -6.253 1.00 0.00 C ATOM 0 H ILE A 61 0.392 7.294 -7.646 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.402 4.564 -8.008 1.00 0.00 H new ATOM 0 HB ILE A 61 0.720 5.569 -5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.939 5.297 -7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.797 6.188 -8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.157 3.568 -5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.432 3.145 -5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.422 3.291 -7.315 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.164 7.738 -6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.452 7.823 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.611 6.918 -5.233 1.00 0.00 H new ATOM 901 N ILE A 62 -1.876 6.265 -5.583 1.00 0.00 N ATOM 902 CA ILE A 62 -3.056 6.222 -4.678 1.00 0.00 C ATOM 903 C ILE A 62 -4.294 5.842 -5.493 1.00 0.00 C ATOM 904 O ILE A 62 -5.276 5.364 -4.963 1.00 0.00 O ATOM 905 CB ILE A 62 -3.259 7.598 -4.032 1.00 0.00 C ATOM 906 CG1 ILE A 62 -2.234 7.787 -2.911 1.00 0.00 C ATOM 907 CG2 ILE A 62 -4.669 7.691 -3.442 1.00 0.00 C ATOM 908 CD1 ILE A 62 -2.584 6.863 -1.743 1.00 0.00 C ATOM 0 H ILE A 62 -1.340 7.132 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.894 5.483 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.130 8.372 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.232 7.564 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.229 8.825 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.808 8.670 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.405 7.553 -4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.799 6.916 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.855 6.996 -0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.579 7.107 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.567 5.827 -2.081 1.00 0.00 H new ATOM 920 N GLU A 63 -4.251 6.049 -6.780 1.00 0.00 N ATOM 921 CA GLU A 63 -5.422 5.696 -7.629 1.00 0.00 C ATOM 922 C GLU A 63 -5.482 4.176 -7.796 1.00 0.00 C ATOM 923 O GLU A 63 -6.536 3.575 -7.736 1.00 0.00 O ATOM 924 CB GLU A 63 -5.279 6.358 -9.002 1.00 0.00 C ATOM 925 CG GLU A 63 -6.480 7.272 -9.255 1.00 0.00 C ATOM 926 CD GLU A 63 -6.690 7.435 -10.761 1.00 0.00 C ATOM 927 OE1 GLU A 63 -6.803 6.425 -11.438 1.00 0.00 O ATOM 928 OE2 GLU A 63 -6.733 8.567 -11.213 1.00 0.00 O ATOM 0 H GLU A 63 -3.456 6.447 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.338 6.049 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.355 6.934 -9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.217 5.597 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.374 6.850 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.313 8.245 -8.793 1.00 0.00 H new ATOM 935 N GLU A 64 -4.355 3.549 -8.003 1.00 0.00 N ATOM 936 CA GLU A 64 -4.348 2.069 -8.171 1.00 0.00 C ATOM 937 C GLU A 64 -4.851 1.409 -6.884 1.00 0.00 C ATOM 938 O GLU A 64 -5.162 0.235 -6.857 1.00 0.00 O ATOM 939 CB GLU A 64 -2.924 1.591 -8.473 1.00 0.00 C ATOM 940 CG GLU A 64 -2.073 1.667 -7.204 1.00 0.00 C ATOM 941 CD GLU A 64 -1.694 0.253 -6.759 1.00 0.00 C ATOM 942 OE1 GLU A 64 -0.716 -0.266 -7.272 1.00 0.00 O ATOM 943 OE2 GLU A 64 -2.388 -0.286 -5.913 1.00 0.00 O ATOM 0 H GLU A 64 -3.441 3.998 -8.063 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.001 1.794 -8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.946 0.567 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.482 2.207 -9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.174 2.254 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.626 2.173 -6.412 1.00 0.00 H new ATOM 950 N VAL A 65 -4.943 2.158 -5.819 1.00 0.00 N ATOM 951 CA VAL A 65 -5.437 1.576 -4.536 1.00 0.00 C ATOM 952 C VAL A 65 -6.581 2.438 -4.002 1.00 0.00 C ATOM 953 O VAL A 65 -7.733 2.055 -4.051 1.00 0.00 O ATOM 954 CB VAL A 65 -4.307 1.527 -3.497 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.751 0.105 -3.420 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.180 2.490 -3.891 1.00 0.00 C ATOM 0 H VAL A 65 -4.698 3.147 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.788 0.560 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.705 1.824 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.949 0.067 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.546 -0.581 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.362 -0.187 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.386 2.445 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.781 2.204 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.571 3.506 -3.943 1.00 0.00 H new ATOM 966 N ASP A 66 -6.275 3.602 -3.496 1.00 0.00 N ATOM 967 CA ASP A 66 -7.349 4.487 -2.965 1.00 0.00 C ATOM 968 C ASP A 66 -8.204 4.998 -4.127 1.00 0.00 C ATOM 969 O ASP A 66 -7.970 6.064 -4.662 1.00 0.00 O ATOM 970 CB ASP A 66 -6.720 5.672 -2.231 1.00 0.00 C ATOM 971 CG ASP A 66 -7.464 5.910 -0.916 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.660 4.951 -0.188 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.826 7.046 -0.659 1.00 0.00 O ATOM 0 H ASP A 66 -5.329 3.977 -3.428 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.975 3.926 -2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.666 5.474 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.766 6.565 -2.854 1.00 0.00 H new ATOM 978 N GLU A 67 -9.190 4.241 -4.525 1.00 0.00 N ATOM 979 CA GLU A 67 -10.056 4.676 -5.658 1.00 0.00 C ATOM 980 C GLU A 67 -11.328 5.330 -5.111 1.00 0.00 C ATOM 981 O GLU A 67 -11.958 6.129 -5.774 1.00 0.00 O ATOM 982 CB GLU A 67 -10.432 3.456 -6.503 1.00 0.00 C ATOM 983 CG GLU A 67 -11.211 3.907 -7.740 1.00 0.00 C ATOM 984 CD GLU A 67 -12.292 2.874 -8.066 1.00 0.00 C ATOM 985 OE1 GLU A 67 -11.999 1.955 -8.811 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.395 3.020 -7.563 1.00 0.00 O ATOM 0 H GLU A 67 -9.433 3.340 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.517 5.396 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.533 2.918 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.035 2.765 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.666 4.881 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.535 4.021 -8.587 1.00 0.00 H new ATOM 993 N ASP A 68 -11.710 4.998 -3.909 1.00 0.00 N ATOM 994 CA ASP A 68 -12.941 5.603 -3.325 1.00 0.00 C ATOM 995 C ASP A 68 -12.785 7.123 -3.265 1.00 0.00 C ATOM 996 O ASP A 68 -13.679 7.863 -3.624 1.00 0.00 O ATOM 997 CB ASP A 68 -13.158 5.056 -1.912 1.00 0.00 C ATOM 998 CG ASP A 68 -14.647 4.781 -1.695 1.00 0.00 C ATOM 999 OD1 ASP A 68 -15.452 5.501 -2.261 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -14.958 3.854 -0.964 1.00 0.00 O ATOM 0 H ASP A 68 -11.224 4.335 -3.306 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.799 5.351 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.584 4.140 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.798 5.773 -1.174 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.656 7.596 -2.813 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.444 9.069 -2.730 1.00 0.00 C ATOM 1007 C GLY A 69 -10.962 9.437 -1.325 1.00 0.00 C ATOM 1008 O GLY A 69 -11.520 10.295 -0.671 1.00 0.00 O ATOM 0 H GLY A 69 -10.871 7.026 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.710 9.384 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.372 9.594 -2.957 1.00 0.00 H new ATOM 1012 N SER A 70 -9.929 8.792 -0.856 1.00 0.00 N ATOM 1013 CA SER A 70 -9.412 9.105 0.506 1.00 0.00 C ATOM 1014 C SER A 70 -8.030 9.749 0.393 1.00 0.00 C ATOM 1015 O SER A 70 -7.515 10.309 1.340 1.00 0.00 O ATOM 1016 CB SER A 70 -9.306 7.815 1.320 1.00 0.00 C ATOM 1017 OG SER A 70 -10.089 6.802 0.699 1.00 0.00 O ATOM 0 H SER A 70 -9.421 8.063 -1.357 1.00 0.00 H new ATOM 0 HA SER A 70 -10.095 9.794 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.265 7.497 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.653 7.985 2.339 1.00 0.00 H new ATOM 0 HG SER A 70 -10.022 5.973 1.217 1.00 0.00 H new ATOM 1023 N GLY A 71 -7.424 9.673 -0.760 1.00 0.00 N ATOM 1024 CA GLY A 71 -6.074 10.280 -0.933 1.00 0.00 C ATOM 1025 C GLY A 71 -5.106 9.669 0.083 1.00 0.00 C ATOM 1026 O GLY A 71 -4.190 10.317 0.547 1.00 0.00 O ATOM 0 H GLY A 71 -7.805 9.217 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.712 10.106 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.129 11.360 -0.795 1.00 0.00 H new ATOM 1030 N THR A 72 -5.303 8.426 0.430 1.00 0.00 N ATOM 1031 CA THR A 72 -4.393 7.775 1.415 1.00 0.00 C ATOM 1032 C THR A 72 -4.497 6.255 1.278 1.00 0.00 C ATOM 1033 O THR A 72 -5.405 5.738 0.658 1.00 0.00 O ATOM 1034 CB THR A 72 -4.795 8.190 2.833 1.00 0.00 C ATOM 1035 OG1 THR A 72 -4.168 7.329 3.772 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.314 8.093 2.983 1.00 0.00 C ATOM 0 H THR A 72 -6.054 7.834 0.075 1.00 0.00 H new ATOM 0 HA THR A 72 -3.366 8.087 1.223 1.00 0.00 H new ATOM 0 HB THR A 72 -4.479 9.217 3.015 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.196 7.362 3.648 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.600 8.389 3.993 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.794 8.755 2.262 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.633 7.067 2.802 1.00 0.00 H new ATOM 1044 N ILE A 73 -3.570 5.533 1.849 1.00 0.00 N ATOM 1045 CA ILE A 73 -3.616 4.046 1.749 1.00 0.00 C ATOM 1046 C ILE A 73 -3.795 3.445 3.145 1.00 0.00 C ATOM 1047 O ILE A 73 -3.250 3.932 4.116 1.00 0.00 O ATOM 1048 CB ILE A 73 -2.308 3.538 1.138 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.261 3.911 -0.345 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -2.236 2.016 1.281 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.809 4.146 -0.767 1.00 0.00 C ATOM 0 H ILE A 73 -2.784 5.908 2.380 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.453 3.749 1.117 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.464 3.993 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.701 3.115 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.853 4.809 -0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.305 1.653 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.272 1.748 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.080 1.561 0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.776 4.412 -1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.385 4.957 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.231 3.237 -0.603 1.00 0.00 H new ATOM 1063 N ASP A 74 -4.554 2.388 3.254 1.00 0.00 N ATOM 1064 CA ASP A 74 -4.767 1.754 4.587 1.00 0.00 C ATOM 1065 C ASP A 74 -3.978 0.446 4.657 1.00 0.00 C ATOM 1066 O ASP A 74 -2.992 0.270 3.970 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.258 1.463 4.779 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.074 2.689 4.365 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.162 3.613 5.156 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -7.599 2.682 3.263 1.00 0.00 O ATOM 0 H ASP A 74 -5.036 1.936 2.477 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.425 2.428 5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.551 0.599 4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.460 1.213 5.821 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.401 -0.475 5.481 1.00 0.00 N ATOM 1076 CA PHE A 75 -3.666 -1.768 5.585 1.00 0.00 C ATOM 1077 C PHE A 75 -4.101 -2.690 4.439 1.00 0.00 C ATOM 1078 O PHE A 75 -3.404 -3.614 4.072 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.955 -2.418 6.951 1.00 0.00 C ATOM 1080 CG PHE A 75 -5.176 -3.311 6.878 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -6.392 -2.803 6.403 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -5.087 -4.648 7.284 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -7.518 -3.633 6.336 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -6.213 -5.477 7.217 1.00 0.00 C ATOM 1085 CZ PHE A 75 -7.428 -4.970 6.743 1.00 0.00 C ATOM 0 H PHE A 75 -5.219 -0.389 6.084 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.593 -1.594 5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.092 -3.002 7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.111 -1.643 7.701 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.461 -1.772 6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.149 -5.040 7.649 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.456 -3.242 5.970 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.144 -6.508 7.531 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.297 -5.610 6.691 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.251 -2.441 3.871 1.00 0.00 N ATOM 1096 CA GLU A 76 -5.733 -3.296 2.750 1.00 0.00 C ATOM 1097 C GLU A 76 -5.141 -2.791 1.431 1.00 0.00 C ATOM 1098 O GLU A 76 -4.620 -3.553 0.643 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.259 -3.231 2.682 1.00 0.00 C ATOM 1100 CG GLU A 76 -7.845 -4.608 2.997 1.00 0.00 C ATOM 1101 CD GLU A 76 -8.029 -5.395 1.698 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -8.798 -4.951 0.862 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -7.397 -6.431 1.561 1.00 0.00 O ATOM 0 H GLU A 76 -5.877 -1.681 4.136 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.419 -4.326 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.634 -2.494 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.576 -2.908 1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.183 -5.150 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.802 -4.499 3.507 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.219 -1.511 1.186 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.662 -0.959 -0.082 1.00 0.00 C ATOM 1112 C GLU A 77 -3.146 -1.161 -0.101 1.00 0.00 C ATOM 1113 O GLU A 77 -2.530 -1.228 -1.146 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.978 0.535 -0.171 1.00 0.00 C ATOM 1115 CG GLU A 77 -6.304 0.734 -0.904 1.00 0.00 C ATOM 1116 CD GLU A 77 -6.810 2.158 -0.667 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -5.986 3.057 -0.616 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -8.011 2.327 -0.542 1.00 0.00 O ATOM 0 H GLU A 77 -5.644 -0.824 1.809 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.109 -1.476 -0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.035 0.965 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.178 1.056 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.172 0.557 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.039 0.012 -0.550 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.541 -1.257 1.051 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.066 -1.455 1.108 1.00 0.00 C ATOM 1127 C PHE A 78 -0.745 -2.939 0.911 1.00 0.00 C ATOM 1128 O PHE A 78 0.377 -3.312 0.633 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.550 -1.001 2.476 1.00 0.00 C ATOM 1130 CG PHE A 78 0.774 -0.295 2.313 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.910 0.731 1.370 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.865 -0.665 3.108 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.138 1.387 1.222 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.093 -0.009 2.961 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.229 1.016 2.017 1.00 0.00 C ATOM 0 H PHE A 78 -3.006 -1.207 1.957 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.586 -0.871 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.273 -0.334 2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.435 -1.861 3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.068 1.016 0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.759 -1.457 3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.244 2.179 0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.935 -0.293 3.575 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.177 1.521 1.902 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.725 -3.788 1.059 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.482 -5.248 0.888 1.00 0.00 C ATOM 1147 C LEU A 79 -1.376 -5.586 -0.602 1.00 0.00 C ATOM 1148 O LEU A 79 -0.393 -6.140 -1.052 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.644 -6.029 1.505 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.465 -6.098 3.022 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -3.801 -6.448 3.678 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.434 -7.176 3.362 1.00 0.00 C ATOM 0 H LEU A 79 -2.685 -3.533 1.291 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.550 -5.520 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.590 -5.546 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.683 -7.035 1.087 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.121 -5.132 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.674 -6.497 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.538 -5.683 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.146 -7.414 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.304 -7.227 4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.781 -8.141 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.481 -6.929 2.894 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.381 -5.264 -1.368 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.339 -5.576 -2.826 1.00 0.00 C ATOM 1166 C VAL A 80 -1.018 -5.083 -3.423 1.00 0.00 C ATOM 1167 O VAL A 80 -0.385 -5.768 -4.202 1.00 0.00 O ATOM 1168 CB VAL A 80 -3.505 -4.881 -3.530 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -3.296 -3.366 -3.490 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -3.570 -5.347 -4.986 1.00 0.00 C ATOM 0 H VAL A 80 -3.230 -4.798 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.418 -6.654 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.437 -5.133 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.127 -2.871 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.247 -3.033 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.364 -3.114 -3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.401 -4.853 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.638 -5.094 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.718 -6.426 -5.016 1.00 0.00 H new ATOM 1180 N MET A 81 -0.600 -3.899 -3.072 1.00 0.00 N ATOM 1181 CA MET A 81 0.674 -3.362 -3.627 1.00 0.00 C ATOM 1182 C MET A 81 1.847 -4.237 -3.177 1.00 0.00 C ATOM 1183 O MET A 81 2.714 -4.578 -3.958 1.00 0.00 O ATOM 1184 CB MET A 81 0.884 -1.932 -3.129 1.00 0.00 C ATOM 1185 CG MET A 81 1.620 -1.123 -4.198 1.00 0.00 C ATOM 1186 SD MET A 81 1.546 0.636 -3.781 1.00 0.00 S ATOM 1187 CE MET A 81 2.750 0.597 -2.432 1.00 0.00 C ATOM 0 H MET A 81 -1.086 -3.279 -2.424 1.00 0.00 H new ATOM 0 HA MET A 81 0.621 -3.366 -4.716 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.077 -1.469 -2.905 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.459 -1.939 -2.203 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.658 -1.448 -4.265 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.168 -1.295 -5.175 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.065 1.613 -2.196 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.295 0.144 -1.551 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.617 0.010 -2.735 1.00 0.00 H new ATOM 1197 N MET A 82 1.884 -4.603 -1.924 1.00 0.00 N ATOM 1198 CA MET A 82 3.006 -5.452 -1.431 1.00 0.00 C ATOM 1199 C MET A 82 2.878 -6.861 -2.012 1.00 0.00 C ATOM 1200 O MET A 82 3.807 -7.643 -1.977 1.00 0.00 O ATOM 1201 CB MET A 82 2.962 -5.522 0.097 1.00 0.00 C ATOM 1202 CG MET A 82 3.975 -4.535 0.680 1.00 0.00 C ATOM 1203 SD MET A 82 3.303 -2.857 0.592 1.00 0.00 S ATOM 1204 CE MET A 82 4.869 -1.975 0.804 1.00 0.00 C ATOM 0 H MET A 82 1.188 -4.352 -1.222 1.00 0.00 H new ATOM 0 HA MET A 82 3.954 -5.016 -1.747 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.960 -5.285 0.454 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.189 -6.534 0.432 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.198 -4.795 1.715 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.913 -4.592 0.128 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.744 -0.935 0.503 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.171 -2.016 1.851 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.636 -2.442 0.186 1.00 0.00 H new ATOM 1214 N VAL A 83 1.736 -7.192 -2.549 1.00 0.00 N ATOM 1215 CA VAL A 83 1.559 -8.549 -3.135 1.00 0.00 C ATOM 1216 C VAL A 83 2.428 -8.674 -4.386 1.00 0.00 C ATOM 1217 O VAL A 83 3.213 -9.592 -4.520 1.00 0.00 O ATOM 1218 CB VAL A 83 0.091 -8.757 -3.509 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -0.065 -10.092 -4.238 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.761 -8.767 -2.237 1.00 0.00 C ATOM 0 H VAL A 83 0.920 -6.583 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 83 1.856 -9.304 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.237 -7.947 -4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.111 -10.241 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.543 -10.086 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.262 -10.903 -3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.808 -8.915 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.433 -9.577 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.649 -7.816 -1.717 1.00 0.00 H new ATOM 1230 N ARG A 84 2.301 -7.752 -5.301 1.00 0.00 N ATOM 1231 CA ARG A 84 3.126 -7.814 -6.540 1.00 0.00 C ATOM 1232 C ARG A 84 4.607 -7.825 -6.155 1.00 0.00 C ATOM 1233 O ARG A 84 5.289 -8.819 -6.301 1.00 0.00 O ATOM 1234 CB ARG A 84 2.830 -6.591 -7.411 1.00 0.00 C ATOM 1235 CG ARG A 84 1.346 -6.578 -7.784 1.00 0.00 C ATOM 1236 CD ARG A 84 0.940 -5.168 -8.218 1.00 0.00 C ATOM 1237 NE ARG A 84 0.964 -5.079 -9.705 1.00 0.00 N ATOM 1238 CZ ARG A 84 -0.146 -5.186 -10.383 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -0.683 -6.359 -10.575 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -0.718 -4.118 -10.869 1.00 0.00 N ATOM 0 H ARG A 84 1.662 -6.959 -5.244 1.00 0.00 H new ATOM 0 HA ARG A 84 2.886 -8.719 -7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.089 -5.678 -6.875 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.442 -6.616 -8.312 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.157 -7.287 -8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.744 -6.895 -6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.057 -4.934 -7.845 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.621 -4.434 -7.788 1.00 0.00 H new ATOM 0 HE ARG A 84 1.848 -4.934 -10.193 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.235 -7.193 -10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.551 -6.442 -11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.297 -3.201 -10.719 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.586 -4.201 -11.399 1.00 0.00 H new ATOM 1254 N GLN A 85 5.107 -6.726 -5.658 1.00 0.00 N ATOM 1255 CA GLN A 85 6.541 -6.676 -5.256 1.00 0.00 C ATOM 1256 C GLN A 85 6.676 -7.180 -3.816 1.00 0.00 C ATOM 1257 O GLN A 85 6.715 -6.409 -2.878 1.00 0.00 O ATOM 1258 CB GLN A 85 7.044 -5.233 -5.341 1.00 0.00 C ATOM 1259 CG GLN A 85 8.564 -5.210 -5.167 1.00 0.00 C ATOM 1260 CD GLN A 85 9.234 -5.643 -6.472 1.00 0.00 C ATOM 1261 OE1 GLN A 85 8.865 -6.643 -7.056 1.00 0.00 O ATOM 1262 NE2 GLN A 85 10.210 -4.926 -6.959 1.00 0.00 N ATOM 0 H GLN A 85 4.585 -5.862 -5.513 1.00 0.00 H new ATOM 0 HA GLN A 85 7.132 -7.305 -5.922 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.771 -4.798 -6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.570 -4.626 -4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.894 -4.208 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.858 -5.877 -4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.520 -4.087 -6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.663 -5.205 -7.829 1.00 0.00 H new