USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 481 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.551 (180deg=-1.3!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 69:sc= 0.894 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.182 F(o=-1.4,f=-0.18) USER MOD Single : A 18 LYS NZ :NH3+ 154:sc= -0.175 (180deg=-0.854) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 52 HIS : no HE2:sc= -0.0688 K(o=-0.069,f=-1.5) USER MOD Single : A 53 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-2.7!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 57 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.631 -28.976 6.410 1.00 0.00 N ATOM 2 CA MET A 1 22.874 -28.689 5.198 1.00 0.00 C ATOM 3 C MET A 1 22.779 -29.932 4.318 1.00 0.00 C ATOM 4 O MET A 1 23.085 -29.884 3.126 1.00 0.00 O ATOM 5 CB MET A 1 23.548 -27.559 4.417 1.00 0.00 C ATOM 6 CG MET A 1 24.242 -26.607 5.393 1.00 0.00 C ATOM 7 SD MET A 1 25.070 -25.290 4.467 1.00 0.00 S ATOM 8 CE MET A 1 26.409 -24.991 5.647 1.00 0.00 C ATOM 0 H1 MET A 1 23.557 -28.171 7.064 1.00 0.00 H new ATOM 0 H2 MET A 1 23.247 -29.828 6.865 1.00 0.00 H new ATOM 0 H3 MET A 1 24.630 -29.134 6.166 1.00 0.00 H new ATOM 0 HA MET A 1 21.868 -28.383 5.484 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.274 -27.970 3.715 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.807 -27.017 3.829 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.513 -26.179 6.081 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.967 -27.153 5.996 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.056 -24.199 5.270 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.988 -24.690 6.606 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.991 -25.904 5.776 1.00 0.00 H new ATOM 18 N THR A 2 22.355 -31.041 4.913 1.00 0.00 N ATOM 19 CA THR A 2 22.224 -32.290 4.174 1.00 0.00 C ATOM 20 C THR A 2 20.828 -32.410 3.571 1.00 0.00 C ATOM 21 O THR A 2 20.577 -33.272 2.729 1.00 0.00 O ATOM 22 CB THR A 2 22.482 -33.477 5.104 1.00 0.00 C ATOM 23 OG1 THR A 2 23.826 -33.432 5.563 1.00 0.00 O ATOM 24 CG2 THR A 2 22.243 -34.783 4.347 1.00 0.00 C ATOM 0 H THR A 2 22.098 -31.101 5.898 1.00 0.00 H new ATOM 0 HA THR A 2 22.959 -32.293 3.369 1.00 0.00 H new ATOM 0 HB THR A 2 21.804 -33.426 5.956 1.00 0.00 H new ATOM 0 HG1 THR A 2 23.993 -34.191 6.160 1.00 0.00 H new ATOM 0 HG21 THR A 2 22.427 -35.627 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 2 21.212 -34.816 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 2 22.919 -34.838 3.494 1.00 0.00 H new ATOM 32 N TYR A 3 19.925 -31.540 4.010 1.00 0.00 N ATOM 33 CA TYR A 3 18.554 -31.556 3.509 1.00 0.00 C ATOM 34 C TYR A 3 18.332 -30.424 2.511 1.00 0.00 C ATOM 35 O TYR A 3 17.284 -30.347 1.871 1.00 0.00 O ATOM 36 CB TYR A 3 17.574 -31.412 4.674 1.00 0.00 C ATOM 37 CG TYR A 3 18.305 -30.886 5.885 1.00 0.00 C ATOM 38 CD1 TYR A 3 19.059 -31.757 6.679 1.00 0.00 C ATOM 39 CD2 TYR A 3 18.228 -29.527 6.213 1.00 0.00 C ATOM 40 CE1 TYR A 3 19.738 -31.270 7.803 1.00 0.00 C ATOM 41 CE2 TYR A 3 18.907 -29.040 7.337 1.00 0.00 C ATOM 42 CZ TYR A 3 19.661 -29.912 8.132 1.00 0.00 C ATOM 43 OH TYR A 3 20.330 -29.431 9.239 1.00 0.00 O ATOM 0 H TYR A 3 20.115 -30.819 4.707 1.00 0.00 H new ATOM 0 HA TYR A 3 18.383 -32.506 3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 3 16.765 -30.734 4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 3 17.119 -32.376 4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 3 19.117 -32.805 6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 3 17.646 -28.855 5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 3 20.321 -31.942 8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 3 18.849 -27.992 7.591 1.00 0.00 H new ATOM 0 HH TYR A 3 20.172 -28.467 9.324 1.00 0.00 H new ATOM 53 N PHE A 4 19.323 -29.548 2.383 1.00 0.00 N ATOM 54 CA PHE A 4 19.221 -28.425 1.458 1.00 0.00 C ATOM 55 C PHE A 4 18.660 -28.886 0.116 1.00 0.00 C ATOM 56 O PHE A 4 17.959 -28.138 -0.565 1.00 0.00 O ATOM 57 CB PHE A 4 20.599 -27.790 1.251 1.00 0.00 C ATOM 58 CG PHE A 4 21.399 -28.624 0.279 1.00 0.00 C ATOM 59 CD1 PHE A 4 21.656 -29.971 0.559 1.00 0.00 C ATOM 60 CD2 PHE A 4 21.884 -28.048 -0.901 1.00 0.00 C ATOM 61 CE1 PHE A 4 22.399 -30.743 -0.343 1.00 0.00 C ATOM 62 CE2 PHE A 4 22.628 -28.820 -1.802 1.00 0.00 C ATOM 63 CZ PHE A 4 22.885 -30.167 -1.523 1.00 0.00 C ATOM 0 H PHE A 4 20.199 -29.593 2.903 1.00 0.00 H new ATOM 0 HA PHE A 4 18.544 -27.686 1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.489 -26.775 0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.125 -27.719 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.282 -30.415 1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 4 21.685 -27.009 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 4 22.597 -31.783 -0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 4 23.003 -28.376 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.458 -30.762 -2.218 1.00 0.00 H new ATOM 73 N TYR A 5 18.974 -30.123 -0.258 1.00 0.00 N ATOM 74 CA TYR A 5 18.495 -30.674 -1.520 1.00 0.00 C ATOM 75 C TYR A 5 17.015 -31.032 -1.421 1.00 0.00 C ATOM 76 O TYR A 5 16.181 -30.473 -2.133 1.00 0.00 O ATOM 77 CB TYR A 5 19.299 -31.925 -1.880 1.00 0.00 C ATOM 78 CG TYR A 5 19.225 -32.163 -3.369 1.00 0.00 C ATOM 79 CD1 TYR A 5 19.932 -31.333 -4.247 1.00 0.00 C ATOM 80 CD2 TYR A 5 18.452 -33.216 -3.873 1.00 0.00 C ATOM 81 CE1 TYR A 5 19.866 -31.555 -5.628 1.00 0.00 C ATOM 82 CE2 TYR A 5 18.384 -33.438 -5.253 1.00 0.00 C ATOM 83 CZ TYR A 5 19.092 -32.608 -6.130 1.00 0.00 C ATOM 84 OH TYR A 5 19.027 -32.827 -7.491 1.00 0.00 O ATOM 0 H TYR A 5 19.554 -30.758 0.291 1.00 0.00 H new ATOM 0 HA TYR A 5 18.625 -29.920 -2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 5 20.338 -31.803 -1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 5 18.907 -32.789 -1.343 1.00 0.00 H new ATOM 0 HD1 TYR A 5 20.529 -30.521 -3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 5 17.908 -33.858 -3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 5 20.412 -30.915 -6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 5 17.786 -34.249 -5.641 1.00 0.00 H new ATOM 0 HH TYR A 5 18.448 -33.597 -7.671 1.00 0.00 H new ATOM 94 N VAL A 6 16.698 -31.966 -0.529 1.00 0.00 N ATOM 95 CA VAL A 6 15.316 -32.392 -0.340 1.00 0.00 C ATOM 96 C VAL A 6 14.448 -31.210 0.082 1.00 0.00 C ATOM 97 O VAL A 6 13.220 -31.302 0.097 1.00 0.00 O ATOM 98 CB VAL A 6 15.248 -33.484 0.730 1.00 0.00 C ATOM 99 CG1 VAL A 6 13.851 -34.114 0.734 1.00 0.00 C ATOM 100 CG2 VAL A 6 16.293 -34.560 0.426 1.00 0.00 C ATOM 0 H VAL A 6 17.374 -32.439 0.070 1.00 0.00 H new ATOM 0 HA VAL A 6 14.943 -32.786 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 6 15.449 -33.046 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.805 -34.891 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.107 -33.348 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.646 -34.552 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 6 16.246 -35.339 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.092 -34.997 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 6 17.287 -34.112 0.426 1.00 0.00 H new ATOM 110 N THR A 7 15.098 -30.103 0.424 1.00 0.00 N ATOM 111 CA THR A 7 14.379 -28.906 0.847 1.00 0.00 C ATOM 112 C THR A 7 13.775 -28.190 -0.357 1.00 0.00 C ATOM 113 O THR A 7 12.666 -27.659 -0.281 1.00 0.00 O ATOM 114 CB THR A 7 15.328 -27.958 1.580 1.00 0.00 C ATOM 115 OG1 THR A 7 15.569 -28.451 2.890 1.00 0.00 O ATOM 116 CG2 THR A 7 14.701 -26.565 1.664 1.00 0.00 C ATOM 0 H THR A 7 16.114 -30.009 0.417 1.00 0.00 H new ATOM 0 HA THR A 7 13.575 -29.207 1.519 1.00 0.00 H new ATOM 0 HB THR A 7 16.270 -27.896 1.035 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.094 -29.277 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.380 -25.891 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.518 -26.187 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.758 -26.623 2.207 1.00 0.00 H new ATOM 124 N ASP A 8 14.509 -28.176 -1.464 1.00 0.00 N ATOM 125 CA ASP A 8 14.029 -27.517 -2.673 1.00 0.00 C ATOM 126 C ASP A 8 12.638 -28.016 -3.033 1.00 0.00 C ATOM 127 O ASP A 8 11.880 -27.339 -3.728 1.00 0.00 O ATOM 128 CB ASP A 8 14.991 -27.781 -3.833 1.00 0.00 C ATOM 129 CG ASP A 8 16.323 -27.086 -3.573 1.00 0.00 C ATOM 130 OD1 ASP A 8 16.668 -26.924 -2.414 1.00 0.00 O ATOM 131 OD2 ASP A 8 16.979 -26.725 -4.537 1.00 0.00 O ATOM 0 H ASP A 8 15.429 -28.608 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 8 13.980 -26.444 -2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 8 15.147 -28.853 -3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.558 -27.419 -4.765 1.00 0.00 H new ATOM 136 N TYR A 9 12.314 -29.201 -2.546 1.00 0.00 N ATOM 137 CA TYR A 9 11.009 -29.799 -2.806 1.00 0.00 C ATOM 138 C TYR A 9 9.994 -29.333 -1.766 1.00 0.00 C ATOM 139 O TYR A 9 8.825 -29.109 -2.081 1.00 0.00 O ATOM 140 CB TYR A 9 11.114 -31.324 -2.773 1.00 0.00 C ATOM 141 CG TYR A 9 10.295 -31.908 -3.899 1.00 0.00 C ATOM 142 CD1 TYR A 9 10.811 -31.930 -5.200 1.00 0.00 C ATOM 143 CD2 TYR A 9 9.019 -32.424 -3.643 1.00 0.00 C ATOM 144 CE1 TYR A 9 10.051 -32.468 -6.245 1.00 0.00 C ATOM 145 CE2 TYR A 9 8.260 -32.963 -4.689 1.00 0.00 C ATOM 146 CZ TYR A 9 8.776 -32.985 -5.990 1.00 0.00 C ATOM 147 OH TYR A 9 8.027 -33.514 -7.021 1.00 0.00 O ATOM 0 H TYR A 9 12.933 -29.770 -1.969 1.00 0.00 H new ATOM 0 HA TYR A 9 10.675 -29.483 -3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 9 12.156 -31.630 -2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 9 10.758 -31.703 -1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.795 -31.532 -5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.620 -32.406 -2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 9 10.449 -32.484 -7.249 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.276 -33.362 -4.492 1.00 0.00 H new ATOM 0 HH TYR A 9 7.167 -33.830 -6.672 1.00 0.00 H new ATOM 157 N LEU A 10 10.450 -29.194 -0.526 1.00 0.00 N ATOM 158 CA LEU A 10 9.577 -28.758 0.555 1.00 0.00 C ATOM 159 C LEU A 10 9.469 -27.237 0.577 1.00 0.00 C ATOM 160 O LEU A 10 9.479 -26.619 1.641 1.00 0.00 O ATOM 161 CB LEU A 10 10.123 -29.256 1.895 1.00 0.00 C ATOM 162 CG LEU A 10 9.022 -29.186 2.955 1.00 0.00 C ATOM 163 CD1 LEU A 10 8.220 -30.488 2.945 1.00 0.00 C ATOM 164 CD2 LEU A 10 9.655 -28.988 4.334 1.00 0.00 C ATOM 0 H LEU A 10 11.414 -29.376 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 10 8.584 -29.176 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.481 -30.281 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.975 -28.649 2.200 1.00 0.00 H new ATOM 0 HG LEU A 10 8.359 -28.350 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.436 -30.438 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.769 -30.630 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.883 -31.325 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.872 -28.938 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.318 -29.825 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.227 -28.060 4.342 1.00 0.00 H new ATOM 176 N ASP A 11 9.363 -26.640 -0.605 1.00 0.00 N ATOM 177 CA ASP A 11 9.248 -25.195 -0.712 1.00 0.00 C ATOM 178 C ASP A 11 8.171 -24.826 -1.725 1.00 0.00 C ATOM 179 O ASP A 11 8.192 -25.286 -2.867 1.00 0.00 O ATOM 180 CB ASP A 11 10.588 -24.593 -1.140 1.00 0.00 C ATOM 181 CG ASP A 11 11.543 -24.553 0.047 1.00 0.00 C ATOM 182 OD1 ASP A 11 11.062 -24.543 1.168 1.00 0.00 O ATOM 183 OD2 ASP A 11 12.741 -24.534 -0.181 1.00 0.00 O ATOM 0 H ASP A 11 9.355 -27.134 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 11 8.970 -24.794 0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.021 -25.185 -1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.436 -23.586 -1.530 1.00 0.00 H new ATOM 188 N VAL A 12 7.231 -23.994 -1.297 1.00 0.00 N ATOM 189 CA VAL A 12 6.144 -23.566 -2.170 1.00 0.00 C ATOM 190 C VAL A 12 6.660 -22.601 -3.233 1.00 0.00 C ATOM 191 O VAL A 12 7.608 -21.851 -2.999 1.00 0.00 O ATOM 192 CB VAL A 12 5.051 -22.887 -1.345 1.00 0.00 C ATOM 193 CG1 VAL A 12 4.413 -23.907 -0.401 1.00 0.00 C ATOM 194 CG2 VAL A 12 5.664 -21.750 -0.526 1.00 0.00 C ATOM 0 H VAL A 12 7.198 -23.603 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 12 5.731 -24.445 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 12 4.289 -22.486 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.634 -23.421 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.976 -24.718 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.174 -24.310 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.885 -21.265 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.426 -22.152 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.118 -21.021 -1.198 1.00 0.00 H new ATOM 204 N PRO A 13 6.055 -22.610 -4.391 1.00 0.00 N ATOM 205 CA PRO A 13 6.458 -21.720 -5.519 1.00 0.00 C ATOM 206 C PRO A 13 6.202 -20.248 -5.208 1.00 0.00 C ATOM 207 O PRO A 13 5.196 -19.898 -4.589 1.00 0.00 O ATOM 208 CB PRO A 13 5.593 -22.190 -6.693 1.00 0.00 C ATOM 209 CG PRO A 13 4.433 -22.904 -6.080 1.00 0.00 C ATOM 210 CD PRO A 13 4.919 -23.473 -4.749 1.00 0.00 C ATOM 0 HA PRO A 13 7.526 -21.785 -5.725 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.259 -21.346 -7.296 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.155 -22.851 -7.353 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.597 -22.222 -5.927 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.079 -23.700 -6.735 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.137 -23.440 -3.990 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.224 -24.515 -4.847 1.00 0.00 H new ATOM 218 N SER A 14 7.121 -19.392 -5.640 1.00 0.00 N ATOM 219 CA SER A 14 6.991 -17.959 -5.403 1.00 0.00 C ATOM 220 C SER A 14 5.669 -17.439 -5.951 1.00 0.00 C ATOM 221 O SER A 14 5.271 -16.306 -5.670 1.00 0.00 O ATOM 222 CB SER A 14 8.152 -17.209 -6.059 1.00 0.00 C ATOM 223 OG SER A 14 7.919 -17.113 -7.458 1.00 0.00 O ATOM 0 H SER A 14 7.960 -19.663 -6.153 1.00 0.00 H new ATOM 0 HA SER A 14 7.014 -17.788 -4.327 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.248 -16.213 -5.626 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.090 -17.731 -5.870 1.00 0.00 H new ATOM 0 HG SER A 14 8.660 -16.631 -7.881 1.00 0.00 H new ATOM 229 N ASN A 15 4.987 -18.269 -6.729 1.00 0.00 N ATOM 230 CA ASN A 15 3.712 -17.869 -7.299 1.00 0.00 C ATOM 231 C ASN A 15 2.772 -17.426 -6.187 1.00 0.00 C ATOM 232 O ASN A 15 1.930 -16.548 -6.383 1.00 0.00 O ATOM 233 CB ASN A 15 3.089 -19.037 -8.066 1.00 0.00 C ATOM 234 CG ASN A 15 2.349 -18.519 -9.296 1.00 0.00 C ATOM 235 OD1 ASN A 15 2.033 -17.255 -9.370 1.00 0.00 O flip ATOM 236 ND2 ASN A 15 2.053 -19.285 -10.213 1.00 0.00 N flip ATOM 0 H ASN A 15 5.292 -19.211 -6.976 1.00 0.00 H new ATOM 0 HA ASN A 15 3.875 -17.040 -7.988 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.866 -19.740 -8.368 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.400 -19.581 -7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.301 -20.273 -10.153 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.560 -18.932 -11.033 1.00 0.00 H new ATOM 243 N ILE A 16 2.934 -18.024 -5.010 1.00 0.00 N ATOM 244 CA ILE A 16 2.103 -17.666 -3.867 1.00 0.00 C ATOM 245 C ILE A 16 2.591 -16.361 -3.264 1.00 0.00 C ATOM 246 O ILE A 16 1.884 -15.695 -2.511 1.00 0.00 O ATOM 247 CB ILE A 16 2.138 -18.775 -2.815 1.00 0.00 C ATOM 248 CG1 ILE A 16 1.686 -20.092 -3.451 1.00 0.00 C ATOM 249 CG2 ILE A 16 1.197 -18.416 -1.664 1.00 0.00 C ATOM 250 CD1 ILE A 16 1.836 -21.229 -2.438 1.00 0.00 C ATOM 0 H ILE A 16 3.625 -18.751 -4.824 1.00 0.00 H new ATOM 0 HA ILE A 16 1.075 -17.541 -4.206 1.00 0.00 H new ATOM 0 HB ILE A 16 3.153 -18.883 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.648 -20.014 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.282 -20.302 -4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.222 -19.206 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.516 -17.477 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.181 -18.309 -2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.514 -22.166 -2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.880 -21.312 -2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.221 -21.020 -1.563 1.00 0.00 H new ATOM 262 N ALA A 17 3.809 -16.014 -3.622 1.00 0.00 N ATOM 263 CA ALA A 17 4.434 -14.786 -3.143 1.00 0.00 C ATOM 264 C ALA A 17 3.867 -13.578 -3.877 1.00 0.00 C ATOM 265 O ALA A 17 3.811 -12.472 -3.339 1.00 0.00 O ATOM 266 CB ALA A 17 5.942 -14.852 -3.377 1.00 0.00 C ATOM 0 H ALA A 17 4.395 -16.566 -4.248 1.00 0.00 H new ATOM 0 HA ALA A 17 4.228 -14.684 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.406 -13.933 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.357 -15.703 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.140 -14.967 -4.443 1.00 0.00 H new ATOM 272 N LYS A 18 3.445 -13.809 -5.112 1.00 0.00 N ATOM 273 CA LYS A 18 2.875 -12.754 -5.938 1.00 0.00 C ATOM 274 C LYS A 18 1.376 -12.708 -5.736 1.00 0.00 C ATOM 275 O LYS A 18 0.749 -11.652 -5.811 1.00 0.00 O ATOM 276 CB LYS A 18 3.193 -13.009 -7.413 1.00 0.00 C ATOM 277 CG LYS A 18 2.851 -11.765 -8.234 1.00 0.00 C ATOM 278 CD LYS A 18 3.319 -11.963 -9.677 1.00 0.00 C ATOM 279 CE LYS A 18 3.215 -10.637 -10.435 1.00 0.00 C ATOM 280 NZ LYS A 18 4.143 -9.643 -9.827 1.00 0.00 N ATOM 0 H LYS A 18 3.487 -14.722 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 18 3.310 -11.798 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.248 -13.256 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.623 -13.864 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.776 -11.584 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.331 -10.887 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.348 -12.322 -9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.710 -12.723 -10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.463 -10.786 -11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.191 -10.264 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.413 -8.938 -10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.670 -9.167 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.995 -10.129 -9.481 1.00 0.00 H new ATOM 294 N ILE A 19 0.817 -13.875 -5.466 1.00 0.00 N ATOM 295 CA ILE A 19 -0.611 -13.994 -5.235 1.00 0.00 C ATOM 296 C ILE A 19 -0.927 -13.599 -3.803 1.00 0.00 C ATOM 297 O ILE A 19 -2.073 -13.299 -3.467 1.00 0.00 O ATOM 298 CB ILE A 19 -1.065 -15.431 -5.483 1.00 0.00 C ATOM 299 CG1 ILE A 19 -0.877 -15.778 -6.961 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.542 -15.571 -5.110 1.00 0.00 C ATOM 301 CD1 ILE A 19 -1.179 -17.261 -7.181 1.00 0.00 C ATOM 0 H ILE A 19 1.331 -14.754 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.140 -13.333 -5.921 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.470 -16.110 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.538 -15.167 -7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.144 -15.554 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.866 -16.596 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.676 -15.325 -4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.137 -14.892 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.045 -17.507 -8.234 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.500 -17.864 -6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.208 -17.470 -6.888 1.00 0.00 H new ATOM 313 N ILE A 20 0.102 -13.598 -2.960 1.00 0.00 N ATOM 314 CA ILE A 20 -0.089 -13.231 -1.558 1.00 0.00 C ATOM 315 C ILE A 20 0.403 -11.811 -1.295 1.00 0.00 C ATOM 316 O ILE A 20 -0.217 -11.062 -0.539 1.00 0.00 O ATOM 317 CB ILE A 20 0.648 -14.209 -0.643 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.198 -13.985 0.803 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.154 -13.974 -0.748 1.00 0.00 C ATOM 320 CD1 ILE A 20 0.698 -15.136 1.679 1.00 0.00 C ATOM 0 H ILE A 20 1.059 -13.842 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.157 -13.277 -1.343 1.00 0.00 H new ATOM 0 HB ILE A 20 0.420 -15.231 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.588 -13.037 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.889 -13.923 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.678 -14.672 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.476 -14.130 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.385 -12.952 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.377 -14.976 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.287 -16.077 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.787 -15.176 1.640 1.00 0.00 H new ATOM 332 N ILE A 21 1.514 -11.443 -1.922 1.00 0.00 N ATOM 333 CA ILE A 21 2.067 -10.105 -1.742 1.00 0.00 C ATOM 334 C ILE A 21 1.437 -9.130 -2.733 1.00 0.00 C ATOM 335 O ILE A 21 1.376 -7.926 -2.481 1.00 0.00 O ATOM 336 CB ILE A 21 3.584 -10.130 -1.939 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.220 -8.994 -1.133 1.00 0.00 C ATOM 338 CG2 ILE A 21 3.913 -9.947 -3.422 1.00 0.00 C ATOM 339 CD1 ILE A 21 4.552 -9.490 0.275 1.00 0.00 C ATOM 0 H ILE A 21 2.045 -12.044 -2.553 1.00 0.00 H new ATOM 0 HA ILE A 21 1.842 -9.774 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 21 3.978 -11.087 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.125 -8.644 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.538 -8.146 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.994 -9.965 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.460 -10.754 -3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.519 -8.991 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.005 -8.681 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.638 -9.818 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.250 -10.325 0.212 1.00 0.00 H new ATOM 351 N GLY A 22 0.967 -9.660 -3.858 1.00 0.00 N ATOM 352 CA GLY A 22 0.343 -8.828 -4.880 1.00 0.00 C ATOM 353 C GLY A 22 -0.605 -7.814 -4.250 1.00 0.00 C ATOM 354 O GLY A 22 -0.510 -6.614 -4.511 1.00 0.00 O ATOM 0 H GLY A 22 1.006 -10.654 -4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.112 -8.307 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.204 -9.457 -5.582 1.00 0.00 H new ATOM 358 N PRO A 23 -1.506 -8.276 -3.428 1.00 0.00 N ATOM 359 CA PRO A 23 -2.494 -7.395 -2.742 1.00 0.00 C ATOM 360 C PRO A 23 -1.809 -6.256 -1.993 1.00 0.00 C ATOM 361 O PRO A 23 -2.338 -5.147 -1.914 1.00 0.00 O ATOM 362 CB PRO A 23 -3.218 -8.333 -1.771 1.00 0.00 C ATOM 363 CG PRO A 23 -3.009 -9.710 -2.308 1.00 0.00 C ATOM 364 CD PRO A 23 -1.683 -9.689 -3.068 1.00 0.00 C ATOM 0 HA PRO A 23 -3.171 -6.911 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.814 -8.240 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.280 -8.093 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.980 -10.440 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.828 -9.997 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.862 -10.050 -2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.719 -10.325 -3.952 1.00 0.00 H new ATOM 372 N LEU A 24 -0.628 -6.536 -1.450 1.00 0.00 N ATOM 373 CA LEU A 24 0.121 -5.523 -0.718 1.00 0.00 C ATOM 374 C LEU A 24 0.806 -4.574 -1.685 1.00 0.00 C ATOM 375 O LEU A 24 0.818 -3.361 -1.477 1.00 0.00 O ATOM 376 CB LEU A 24 1.162 -6.186 0.186 1.00 0.00 C ATOM 377 CG LEU A 24 0.555 -6.442 1.567 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.566 -7.475 1.451 1.00 0.00 C ATOM 379 CD2 LEU A 24 1.640 -6.972 2.508 1.00 0.00 C ATOM 0 H LEU A 24 -0.173 -7.448 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.575 -4.956 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.496 -7.125 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.040 -5.546 0.277 1.00 0.00 H new ATOM 0 HG LEU A 24 0.150 -5.511 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.997 -7.656 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.339 -7.100 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.163 -8.407 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.210 -7.155 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.044 -7.903 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.440 -6.236 2.593 1.00 0.00 H new ATOM 391 N ILE A 25 1.352 -5.127 -2.758 1.00 0.00 N ATOM 392 CA ILE A 25 2.007 -4.308 -3.760 1.00 0.00 C ATOM 393 C ILE A 25 1.071 -3.174 -4.153 1.00 0.00 C ATOM 394 O ILE A 25 1.508 -2.069 -4.475 1.00 0.00 O ATOM 395 CB ILE A 25 2.356 -5.147 -4.989 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.586 -6.007 -4.684 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.662 -4.221 -6.168 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.016 -6.757 -5.947 1.00 0.00 C ATOM 0 H ILE A 25 1.354 -6.128 -2.954 1.00 0.00 H new ATOM 0 HA ILE A 25 2.932 -3.902 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 25 1.514 -5.791 -5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.402 -5.379 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.358 -6.716 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.911 -4.819 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.788 -3.606 -6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.505 -3.578 -5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.891 -7.368 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.202 -7.398 -6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.262 -6.040 -6.730 1.00 0.00 H new ATOM 410 N PHE A 26 -0.227 -3.465 -4.113 1.00 0.00 N ATOM 411 CA PHE A 26 -1.237 -2.472 -4.458 1.00 0.00 C ATOM 412 C PHE A 26 -1.242 -1.346 -3.429 1.00 0.00 C ATOM 413 O PHE A 26 -1.436 -0.179 -3.768 1.00 0.00 O ATOM 414 CB PHE A 26 -2.619 -3.130 -4.507 1.00 0.00 C ATOM 415 CG PHE A 26 -3.679 -2.069 -4.676 1.00 0.00 C ATOM 416 CD1 PHE A 26 -4.072 -1.667 -5.959 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.272 -1.488 -3.548 1.00 0.00 C ATOM 418 CE1 PHE A 26 -5.057 -0.684 -6.114 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.258 -0.506 -3.704 1.00 0.00 C ATOM 420 CZ PHE A 26 -5.650 -0.104 -4.986 1.00 0.00 C ATOM 0 H PHE A 26 -0.601 -4.376 -3.846 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.000 -2.057 -5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.666 -3.840 -5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.797 -3.694 -3.591 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.615 -2.115 -6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.969 -1.797 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.359 -0.373 -7.103 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.716 -0.059 -2.834 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.410 0.654 -5.105 1.00 0.00 H new ATOM 430 N VAL A 27 -1.019 -1.709 -2.169 1.00 0.00 N ATOM 431 CA VAL A 27 -0.990 -0.727 -1.093 1.00 0.00 C ATOM 432 C VAL A 27 0.267 0.130 -1.197 1.00 0.00 C ATOM 433 O VAL A 27 0.244 1.325 -0.900 1.00 0.00 O ATOM 434 CB VAL A 27 -1.019 -1.438 0.261 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.962 -0.401 1.385 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.311 -2.251 0.380 1.00 0.00 C ATOM 0 H VAL A 27 -0.857 -2.671 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.866 -0.084 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.160 -2.105 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.983 -0.908 2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.043 0.178 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.820 0.267 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.334 -2.759 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.169 -1.584 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.351 -2.990 -0.420 1.00 0.00 H new ATOM 446 N PHE A 28 1.361 -0.492 -1.625 1.00 0.00 N ATOM 447 CA PHE A 28 2.627 0.217 -1.773 1.00 0.00 C ATOM 448 C PHE A 28 2.555 1.185 -2.948 1.00 0.00 C ATOM 449 O PHE A 28 2.995 2.331 -2.852 1.00 0.00 O ATOM 450 CB PHE A 28 3.763 -0.786 -2.004 1.00 0.00 C ATOM 451 CG PHE A 28 4.868 -0.547 -1.002 1.00 0.00 C ATOM 452 CD1 PHE A 28 4.638 -0.769 0.361 1.00 0.00 C ATOM 453 CD2 PHE A 28 6.123 -0.107 -1.438 1.00 0.00 C ATOM 454 CE1 PHE A 28 5.665 -0.551 1.288 1.00 0.00 C ATOM 455 CE2 PHE A 28 7.150 0.111 -0.512 1.00 0.00 C ATOM 456 CZ PHE A 28 6.920 -0.110 0.852 1.00 0.00 C ATOM 0 H PHE A 28 1.397 -1.480 -1.874 1.00 0.00 H new ATOM 0 HA PHE A 28 2.821 0.780 -0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.386 -1.804 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.150 -0.684 -3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.669 -1.108 0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.299 0.064 -2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.489 -0.723 2.340 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.119 0.449 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.711 0.060 1.567 1.00 0.00 H new ATOM 466 N LEU A 29 1.993 0.715 -4.057 1.00 0.00 N ATOM 467 CA LEU A 29 1.863 1.546 -5.245 1.00 0.00 C ATOM 468 C LEU A 29 0.908 2.703 -4.975 1.00 0.00 C ATOM 469 O LEU A 29 1.137 3.827 -5.419 1.00 0.00 O ATOM 470 CB LEU A 29 1.339 0.709 -6.414 1.00 0.00 C ATOM 471 CG LEU A 29 2.212 0.952 -7.646 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.589 0.257 -8.859 1.00 0.00 C ATOM 473 CD2 LEU A 29 2.307 2.456 -7.911 1.00 0.00 C ATOM 0 H LEU A 29 1.623 -0.230 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 29 2.844 1.946 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.349 -0.349 -6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.304 0.974 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 29 3.210 0.549 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.211 0.430 -9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.520 -0.814 -8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.592 0.659 -9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.929 2.632 -8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.309 2.858 -8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.751 2.950 -7.047 1.00 0.00 H new ATOM 485 N PHE A 30 -0.160 2.417 -4.237 1.00 0.00 N ATOM 486 CA PHE A 30 -1.140 3.444 -3.907 1.00 0.00 C ATOM 487 C PHE A 30 -0.514 4.493 -2.998 1.00 0.00 C ATOM 488 O PHE A 30 -0.764 5.689 -3.146 1.00 0.00 O ATOM 489 CB PHE A 30 -2.344 2.814 -3.206 1.00 0.00 C ATOM 490 CG PHE A 30 -3.576 3.635 -3.495 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.181 3.567 -4.754 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.112 4.466 -2.504 1.00 0.00 C ATOM 493 CE1 PHE A 30 -5.323 4.330 -5.025 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.255 5.229 -2.774 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.860 5.161 -4.034 1.00 0.00 C ATOM 0 H PHE A 30 -0.367 1.492 -3.860 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.470 3.920 -4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.486 1.790 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.169 2.766 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.767 2.925 -5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.644 4.519 -1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.790 4.278 -5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.669 5.870 -2.010 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.741 5.750 -4.242 1.00 0.00 H new ATOM 505 N SER A 31 0.305 4.033 -2.059 1.00 0.00 N ATOM 506 CA SER A 31 0.971 4.938 -1.130 1.00 0.00 C ATOM 507 C SER A 31 1.992 5.789 -1.869 1.00 0.00 C ATOM 508 O SER A 31 2.167 6.972 -1.576 1.00 0.00 O ATOM 509 CB SER A 31 1.669 4.139 -0.031 1.00 0.00 C ATOM 510 OG SER A 31 2.845 4.828 0.374 1.00 0.00 O ATOM 0 H SER A 31 0.523 3.046 -1.921 1.00 0.00 H new ATOM 0 HA SER A 31 0.222 5.590 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.000 4.006 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.924 3.143 -0.395 1.00 0.00 H new ATOM 0 HG SER A 31 3.295 4.319 1.080 1.00 0.00 H new ATOM 516 N VAL A 32 2.660 5.172 -2.832 1.00 0.00 N ATOM 517 CA VAL A 32 3.668 5.867 -3.623 1.00 0.00 C ATOM 518 C VAL A 32 3.018 6.914 -4.524 1.00 0.00 C ATOM 519 O VAL A 32 3.549 8.010 -4.700 1.00 0.00 O ATOM 520 CB VAL A 32 4.440 4.864 -4.481 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.354 5.618 -5.447 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.286 3.964 -3.578 1.00 0.00 C ATOM 0 H VAL A 32 2.524 4.193 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 32 4.355 6.368 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 32 3.737 4.253 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.905 4.904 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.753 6.260 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.057 6.229 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.836 3.249 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.990 4.575 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.636 3.426 -2.888 1.00 0.00 H new ATOM 532 N VAL A 33 1.867 6.568 -5.092 1.00 0.00 N ATOM 533 CA VAL A 33 1.156 7.487 -5.974 1.00 0.00 C ATOM 534 C VAL A 33 0.698 8.723 -5.204 1.00 0.00 C ATOM 535 O VAL A 33 1.038 9.850 -5.563 1.00 0.00 O ATOM 536 CB VAL A 33 -0.057 6.784 -6.588 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.873 7.789 -7.401 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.421 5.657 -7.505 1.00 0.00 C ATOM 0 H VAL A 33 1.410 5.666 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 33 1.834 7.800 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.678 6.371 -5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.737 7.288 -7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.212 8.594 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.253 8.203 -8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.441 5.155 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.042 6.072 -8.299 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.004 4.940 -6.927 1.00 0.00 H new ATOM 548 N ILE A 34 -0.073 8.503 -4.143 1.00 0.00 N ATOM 549 CA ILE A 34 -0.569 9.605 -3.325 1.00 0.00 C ATOM 550 C ILE A 34 0.583 10.317 -2.635 1.00 0.00 C ATOM 551 O ILE A 34 0.449 11.456 -2.188 1.00 0.00 O ATOM 552 CB ILE A 34 -1.554 9.084 -2.278 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.466 10.228 -1.827 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.781 8.544 -1.074 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.416 9.726 -0.737 1.00 0.00 C ATOM 0 H ILE A 34 -0.366 7.577 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.081 10.313 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.156 8.285 -2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.867 11.057 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.037 10.608 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.483 8.173 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.129 7.732 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.179 9.342 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.065 10.541 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.024 8.912 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.837 9.367 0.114 1.00 0.00 H new ATOM 567 N GLY A 35 1.711 9.631 -2.548 1.00 0.00 N ATOM 568 CA GLY A 35 2.888 10.193 -1.902 1.00 0.00 C ATOM 569 C GLY A 35 3.548 11.247 -2.774 1.00 0.00 C ATOM 570 O GLY A 35 3.722 12.391 -2.357 1.00 0.00 O ATOM 0 H GLY A 35 1.837 8.688 -2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.605 10.634 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.602 9.398 -1.687 1.00 0.00 H new ATOM 574 N SER A 36 3.903 10.857 -3.990 1.00 0.00 N ATOM 575 CA SER A 36 4.530 11.788 -4.911 1.00 0.00 C ATOM 576 C SER A 36 3.547 12.892 -5.238 1.00 0.00 C ATOM 577 O SER A 36 3.931 14.016 -5.560 1.00 0.00 O ATOM 578 CB SER A 36 4.954 11.067 -6.191 1.00 0.00 C ATOM 579 OG SER A 36 6.188 11.607 -6.647 1.00 0.00 O ATOM 0 H SER A 36 3.769 9.915 -4.356 1.00 0.00 H new ATOM 0 HA SER A 36 5.420 12.213 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.059 9.999 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.188 11.182 -6.958 1.00 0.00 H new ATOM 0 HG SER A 36 6.464 11.146 -7.467 1.00 0.00 H new ATOM 585 N ILE A 37 2.269 12.559 -5.131 1.00 0.00 N ATOM 586 CA ILE A 37 1.216 13.533 -5.396 1.00 0.00 C ATOM 587 C ILE A 37 1.115 14.505 -4.231 1.00 0.00 C ATOM 588 O ILE A 37 0.919 15.705 -4.418 1.00 0.00 O ATOM 589 CB ILE A 37 -0.124 12.829 -5.593 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.177 12.209 -6.992 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.260 13.842 -5.442 1.00 0.00 C ATOM 592 CD1 ILE A 37 -1.444 11.365 -7.126 1.00 0.00 C ATOM 0 H ILE A 37 1.936 11.632 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 37 1.463 14.078 -6.307 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.234 12.045 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.167 12.993 -7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.705 11.591 -7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.217 13.339 -5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.225 14.283 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.149 14.627 -6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.483 10.923 -8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.434 10.573 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.319 11.996 -6.975 1.00 0.00 H new ATOM 604 N TYR A 38 1.249 13.966 -3.023 1.00 0.00 N ATOM 605 CA TYR A 38 1.173 14.781 -1.818 1.00 0.00 C ATOM 606 C TYR A 38 2.017 16.042 -1.969 1.00 0.00 C ATOM 607 O TYR A 38 1.683 17.092 -1.422 1.00 0.00 O ATOM 608 CB TYR A 38 1.664 13.979 -0.611 1.00 0.00 C ATOM 609 CG TYR A 38 0.786 14.277 0.580 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.592 14.041 0.511 1.00 0.00 C ATOM 611 CD2 TYR A 38 1.350 14.791 1.753 1.00 0.00 C ATOM 612 CE1 TYR A 38 -1.406 14.318 1.615 1.00 0.00 C ATOM 613 CE2 TYR A 38 0.536 15.069 2.858 1.00 0.00 C ATOM 614 CZ TYR A 38 -0.842 14.832 2.789 1.00 0.00 C ATOM 615 OH TYR A 38 -1.644 15.105 3.878 1.00 0.00 O ATOM 0 H TYR A 38 1.410 12.973 -2.854 1.00 0.00 H new ATOM 0 HA TYR A 38 0.133 15.069 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.641 12.913 -0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.699 14.236 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.027 13.645 -0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.413 14.973 1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.469 14.135 1.562 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.971 15.466 3.763 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.094 15.455 4.610 1.00 0.00 H new ATOM 625 N LEU A 39 3.111 15.931 -2.717 1.00 0.00 N ATOM 626 CA LEU A 39 3.990 17.072 -2.934 1.00 0.00 C ATOM 627 C LEU A 39 3.179 18.290 -3.364 1.00 0.00 C ATOM 628 O LEU A 39 3.332 19.379 -2.808 1.00 0.00 O ATOM 629 CB LEU A 39 5.026 16.739 -4.009 1.00 0.00 C ATOM 630 CG LEU A 39 6.400 17.239 -3.565 1.00 0.00 C ATOM 631 CD1 LEU A 39 6.959 16.312 -2.485 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.348 17.253 -4.766 1.00 0.00 C ATOM 0 H LEU A 39 3.407 15.071 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 39 4.502 17.298 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.056 15.663 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.746 17.203 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 39 6.306 18.247 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.939 16.670 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.284 16.302 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.053 15.302 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.329 17.609 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.440 16.244 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.951 17.915 -5.535 1.00 0.00 H new ATOM 644 N PHE A 40 2.314 18.097 -4.354 1.00 0.00 N ATOM 645 CA PHE A 40 1.481 19.187 -4.849 1.00 0.00 C ATOM 646 C PHE A 40 0.526 19.660 -3.757 1.00 0.00 C ATOM 647 O PHE A 40 0.177 20.838 -3.693 1.00 0.00 O ATOM 648 CB PHE A 40 0.679 18.720 -6.066 1.00 0.00 C ATOM 649 CG PHE A 40 1.497 18.924 -7.319 1.00 0.00 C ATOM 650 CD1 PHE A 40 2.895 18.856 -7.263 1.00 0.00 C ATOM 651 CD2 PHE A 40 0.856 19.179 -8.538 1.00 0.00 C ATOM 652 CE1 PHE A 40 3.652 19.044 -8.426 1.00 0.00 C ATOM 653 CE2 PHE A 40 1.615 19.367 -9.701 1.00 0.00 C ATOM 654 CZ PHE A 40 3.012 19.300 -9.644 1.00 0.00 C ATOM 0 H PHE A 40 2.172 17.204 -4.826 1.00 0.00 H new ATOM 0 HA PHE A 40 2.127 20.016 -5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.415 17.668 -5.959 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.255 19.277 -6.134 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.389 18.659 -6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.222 19.231 -8.582 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.730 18.991 -8.383 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.122 19.564 -10.642 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.596 19.446 -10.540 1.00 0.00 H new ATOM 664 N LEU A 41 0.111 18.733 -2.900 1.00 0.00 N ATOM 665 CA LEU A 41 -0.802 19.064 -1.813 1.00 0.00 C ATOM 666 C LEU A 41 -0.026 19.540 -0.594 1.00 0.00 C ATOM 667 O LEU A 41 -0.596 20.086 0.350 1.00 0.00 O ATOM 668 CB LEU A 41 -1.646 17.844 -1.441 1.00 0.00 C ATOM 669 CG LEU A 41 -3.044 17.986 -2.044 1.00 0.00 C ATOM 670 CD1 LEU A 41 -2.945 17.994 -3.571 1.00 0.00 C ATOM 671 CD2 LEU A 41 -3.911 16.808 -1.597 1.00 0.00 C ATOM 0 H LEU A 41 0.390 17.753 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.460 19.865 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.171 16.934 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.714 17.753 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.493 18.920 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.942 18.095 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.326 18.832 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.497 17.061 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.908 16.907 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.461 15.875 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.983 16.801 -0.509 1.00 0.00 H new ATOM 683 N ARG A 42 1.278 19.325 -0.630 1.00 0.00 N ATOM 684 CA ARG A 42 2.146 19.727 0.471 1.00 0.00 C ATOM 685 C ARG A 42 2.139 21.243 0.631 1.00 0.00 C ATOM 686 O ARG A 42 2.610 21.775 1.636 1.00 0.00 O ATOM 687 CB ARG A 42 3.574 19.243 0.215 1.00 0.00 C ATOM 688 CG ARG A 42 4.422 19.460 1.470 1.00 0.00 C ATOM 689 CD ARG A 42 4.772 18.107 2.093 1.00 0.00 C ATOM 690 NE ARG A 42 5.487 18.300 3.347 1.00 0.00 N ATOM 691 CZ ARG A 42 6.384 17.415 3.770 1.00 0.00 C ATOM 692 NH1 ARG A 42 6.633 16.350 3.058 1.00 0.00 N ATOM 693 NH2 ARG A 42 7.014 17.609 4.894 1.00 0.00 N ATOM 0 H ARG A 42 1.761 18.875 -1.407 1.00 0.00 H new ATOM 0 HA ARG A 42 1.771 19.275 1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.568 18.187 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.007 19.784 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.333 20.002 1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.877 20.072 2.188 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.862 17.534 2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.385 17.528 1.402 1.00 0.00 H new ATOM 0 HE ARG A 42 5.296 19.129 3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.140 16.198 2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.321 15.670 3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.819 18.441 5.451 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.702 16.929 5.217 1.00 0.00 H new ATOM 707 N LYS A 43 1.597 21.931 -0.365 1.00 0.00 N ATOM 708 CA LYS A 43 1.529 23.386 -0.326 1.00 0.00 C ATOM 709 C LYS A 43 0.160 23.838 0.173 1.00 0.00 C ATOM 710 O LYS A 43 -0.185 25.017 0.091 1.00 0.00 O ATOM 711 CB LYS A 43 1.782 23.961 -1.721 1.00 0.00 C ATOM 712 CG LYS A 43 2.144 25.444 -1.609 1.00 0.00 C ATOM 713 CD LYS A 43 3.588 25.656 -2.069 1.00 0.00 C ATOM 714 CE LYS A 43 3.886 27.156 -2.139 1.00 0.00 C ATOM 715 NZ LYS A 43 4.599 27.463 -3.411 1.00 0.00 N ATOM 0 H LYS A 43 1.200 21.509 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 43 2.295 23.751 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.590 23.415 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.894 23.839 -2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.466 26.041 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.027 25.781 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.276 25.169 -1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.741 25.198 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.958 27.725 -2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.495 27.457 -1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.801 28.482 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.492 26.931 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.002 27.191 -4.218 1.00 0.00 H new ATOM 729 N ARG A 44 -0.614 22.889 0.692 1.00 0.00 N ATOM 730 CA ARG A 44 -1.944 23.193 1.205 1.00 0.00 C ATOM 731 C ARG A 44 -1.853 24.098 2.429 1.00 0.00 C ATOM 732 O ARG A 44 -1.098 23.823 3.361 1.00 0.00 O ATOM 733 CB ARG A 44 -2.665 21.896 1.580 1.00 0.00 C ATOM 734 CG ARG A 44 -4.135 22.197 1.881 1.00 0.00 C ATOM 735 CD ARG A 44 -4.796 20.955 2.479 1.00 0.00 C ATOM 736 NE ARG A 44 -5.577 20.260 1.462 1.00 0.00 N ATOM 737 CZ ARG A 44 -6.528 19.394 1.800 1.00 0.00 C ATOM 738 NH1 ARG A 44 -6.772 19.154 3.059 1.00 0.00 N ATOM 739 NH2 ARG A 44 -7.216 18.784 0.874 1.00 0.00 N ATOM 0 H ARG A 44 -0.344 21.908 0.768 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.505 23.710 0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.590 21.177 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.190 21.442 2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.211 23.033 2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.651 22.493 0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.034 20.287 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.441 21.242 3.310 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.391 20.441 0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.234 19.630 3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.501 18.490 3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.025 18.971 -0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.945 18.120 1.134 1.00 0.00 H new ATOM 753 N GLN A 45 -2.625 25.179 2.418 1.00 0.00 N ATOM 754 CA GLN A 45 -2.621 26.118 3.534 1.00 0.00 C ATOM 755 C GLN A 45 -4.032 26.300 4.087 1.00 0.00 C ATOM 756 O GLN A 45 -5.013 26.222 3.348 1.00 0.00 O ATOM 757 CB GLN A 45 -2.075 27.470 3.077 1.00 0.00 C ATOM 758 CG GLN A 45 -0.755 27.263 2.330 1.00 0.00 C ATOM 759 CD GLN A 45 0.370 27.000 3.324 1.00 0.00 C ATOM 760 OE1 GLN A 45 0.632 27.826 4.199 1.00 0.00 O ATOM 761 NE2 GLN A 45 1.055 25.892 3.242 1.00 0.00 N ATOM 0 H GLN A 45 -3.256 25.426 1.656 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.983 25.715 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.798 27.965 2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.920 28.121 3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.846 26.424 1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.524 28.144 1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.836 25.209 2.516 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.809 25.709 3.904 1.00 0.00 H new ATOM 770 N PRO A 46 -4.147 26.541 5.367 1.00 0.00 N ATOM 771 CA PRO A 46 -5.465 26.742 6.034 1.00 0.00 C ATOM 772 C PRO A 46 -6.096 28.081 5.660 1.00 0.00 C ATOM 773 O PRO A 46 -6.198 28.984 6.491 1.00 0.00 O ATOM 774 CB PRO A 46 -5.129 26.693 7.526 1.00 0.00 C ATOM 775 CG PRO A 46 -3.692 27.087 7.623 1.00 0.00 C ATOM 776 CD PRO A 46 -3.028 26.650 6.317 1.00 0.00 C ATOM 0 HA PRO A 46 -6.196 25.990 5.735 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.762 27.375 8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.291 25.695 7.932 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.594 28.163 7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.216 26.608 8.479 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.289 27.378 5.982 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.508 25.699 6.432 1.00 0.00 H new ATOM 784 N ASP A 47 -6.508 28.203 4.403 1.00 0.00 N ATOM 785 CA ASP A 47 -7.118 29.430 3.922 1.00 0.00 C ATOM 786 C ASP A 47 -8.469 29.661 4.577 1.00 0.00 C ATOM 787 O ASP A 47 -9.416 30.118 3.938 1.00 0.00 O ATOM 788 CB ASP A 47 -7.275 29.388 2.401 1.00 0.00 C ATOM 789 CG ASP A 47 -8.047 30.611 1.923 1.00 0.00 C ATOM 790 OD1 ASP A 47 -7.544 31.710 2.096 1.00 0.00 O ATOM 791 OD2 ASP A 47 -9.130 30.433 1.390 1.00 0.00 O ATOM 0 H ASP A 47 -6.429 27.466 3.702 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.461 30.258 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.294 29.359 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.799 28.479 2.106 1.00 0.00 H new ATOM 796 N GLY A 48 -8.541 29.344 5.856 1.00 0.00 N ATOM 797 CA GLY A 48 -9.776 29.517 6.613 1.00 0.00 C ATOM 798 C GLY A 48 -10.212 30.978 6.606 1.00 0.00 C ATOM 799 O GLY A 48 -9.681 31.792 5.851 1.00 0.00 O ATOM 0 H GLY A 48 -7.763 28.966 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.562 28.896 6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.629 29.181 7.639 1.00 0.00 H new ATOM 803 N PRO A 49 -11.163 31.318 7.433 1.00 0.00 N ATOM 804 CA PRO A 49 -11.684 32.712 7.534 1.00 0.00 C ATOM 805 C PRO A 49 -10.558 33.737 7.650 1.00 0.00 C ATOM 806 O PRO A 49 -9.798 33.730 8.619 1.00 0.00 O ATOM 807 CB PRO A 49 -12.539 32.692 8.802 1.00 0.00 C ATOM 808 CG PRO A 49 -12.943 31.266 8.992 1.00 0.00 C ATOM 809 CD PRO A 49 -11.845 30.406 8.363 1.00 0.00 C ATOM 0 HA PRO A 49 -12.244 33.005 6.646 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.975 33.057 9.660 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.412 33.336 8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.056 31.034 10.051 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.905 31.071 8.519 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.159 30.020 9.118 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.263 29.545 7.842 1.00 0.00 H new ATOM 817 N LEU A 50 -10.458 34.614 6.656 1.00 0.00 N ATOM 818 CA LEU A 50 -9.421 35.640 6.657 1.00 0.00 C ATOM 819 C LEU A 50 -9.883 36.869 7.434 1.00 0.00 C ATOM 820 O LEU A 50 -9.411 37.980 7.193 1.00 0.00 O ATOM 821 CB LEU A 50 -9.085 36.041 5.220 1.00 0.00 C ATOM 822 CG LEU A 50 -8.588 34.817 4.451 1.00 0.00 C ATOM 823 CD1 LEU A 50 -9.025 34.921 2.989 1.00 0.00 C ATOM 824 CD2 LEU A 50 -7.061 34.756 4.522 1.00 0.00 C ATOM 0 H LEU A 50 -11.077 34.635 5.846 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.533 35.232 7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.966 36.457 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.322 36.819 5.218 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.010 33.915 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.671 34.048 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.113 34.965 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.603 35.823 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.706 33.883 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.640 35.659 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.748 34.682 5.563 1.00 0.00 H new ATOM 836 N GLU A 51 -10.808 36.661 8.365 1.00 0.00 N ATOM 837 CA GLU A 51 -11.328 37.761 9.170 1.00 0.00 C ATOM 838 C GLU A 51 -11.990 38.808 8.279 1.00 0.00 C ATOM 839 O GLU A 51 -11.480 39.139 7.208 1.00 0.00 O ATOM 840 CB GLU A 51 -10.194 38.409 9.968 1.00 0.00 C ATOM 841 CG GLU A 51 -10.778 39.420 10.956 1.00 0.00 C ATOM 842 CD GLU A 51 -10.090 39.282 12.310 1.00 0.00 C ATOM 843 OE1 GLU A 51 -8.972 38.793 12.338 1.00 0.00 O ATOM 844 OE2 GLU A 51 -10.690 39.668 13.300 1.00 0.00 O ATOM 0 H GLU A 51 -11.211 35.749 8.580 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.072 37.362 9.859 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.630 37.646 10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.497 38.905 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.647 40.432 10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.850 39.257 11.065 1.00 0.00 H new ATOM 851 N HIS A 52 -13.130 39.323 8.726 1.00 0.00 N ATOM 852 CA HIS A 52 -13.853 40.330 7.958 1.00 0.00 C ATOM 853 C HIS A 52 -14.187 41.534 8.835 1.00 0.00 C ATOM 854 O HIS A 52 -14.715 41.385 9.937 1.00 0.00 O ATOM 855 CB HIS A 52 -15.146 39.729 7.398 1.00 0.00 C ATOM 856 CG HIS A 52 -15.052 39.624 5.900 1.00 0.00 C ATOM 857 ND1 HIS A 52 -13.851 39.386 5.248 1.00 0.00 N ATOM 858 CD2 HIS A 52 -16.000 39.722 4.912 1.00 0.00 C ATOM 859 CE1 HIS A 52 -14.106 39.350 3.928 1.00 0.00 C ATOM 860 NE2 HIS A 52 -15.401 39.550 3.669 1.00 0.00 N ATOM 0 H HIS A 52 -13.570 39.063 9.608 1.00 0.00 H new ATOM 0 HA HIS A 52 -13.219 40.659 7.135 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -15.317 38.743 7.831 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -15.997 40.351 7.675 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -12.940 39.261 5.689 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -17.052 39.905 5.075 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -13.356 39.180 3.170 1.00 0.00 H new ATOM 869 N HIS A 53 -13.876 42.726 8.336 1.00 0.00 N ATOM 870 CA HIS A 53 -14.149 43.950 9.081 1.00 0.00 C ATOM 871 C HIS A 53 -13.612 45.165 8.332 1.00 0.00 C ATOM 872 O HIS A 53 -12.885 45.029 7.347 1.00 0.00 O ATOM 873 CB HIS A 53 -13.500 43.876 10.465 1.00 0.00 C ATOM 874 CG HIS A 53 -14.545 43.539 11.493 1.00 0.00 C ATOM 875 ND1 HIS A 53 -15.858 43.968 11.381 1.00 0.00 N ATOM 876 CD2 HIS A 53 -14.485 42.813 12.657 1.00 0.00 C ATOM 877 CE1 HIS A 53 -16.530 43.502 12.450 1.00 0.00 C ATOM 878 NE2 HIS A 53 -15.740 42.791 13.259 1.00 0.00 N ATOM 0 H HIS A 53 -13.438 42.870 7.426 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.229 44.052 9.190 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -12.714 43.121 10.470 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.029 44.828 10.709 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -13.599 42.332 13.046 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -17.579 43.681 12.631 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -16.000 42.331 14.131 1.00 0.00 H new ATOM 887 N HIS A 54 -13.975 46.354 8.805 1.00 0.00 N ATOM 888 CA HIS A 54 -13.525 47.589 8.172 1.00 0.00 C ATOM 889 C HIS A 54 -12.182 48.029 8.745 1.00 0.00 C ATOM 890 O HIS A 54 -11.803 49.195 8.637 1.00 0.00 O ATOM 891 CB HIS A 54 -14.560 48.693 8.391 1.00 0.00 C ATOM 892 CG HIS A 54 -15.542 48.694 7.252 1.00 0.00 C ATOM 893 ND1 HIS A 54 -16.589 47.788 7.179 1.00 0.00 N ATOM 894 CD2 HIS A 54 -15.650 49.483 6.133 1.00 0.00 C ATOM 895 CE1 HIS A 54 -17.274 48.051 6.051 1.00 0.00 C ATOM 896 NE2 HIS A 54 -16.745 49.075 5.377 1.00 0.00 N ATOM 0 H HIS A 54 -14.575 46.488 9.619 1.00 0.00 H new ATOM 0 HA HIS A 54 -13.408 47.405 7.104 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.082 48.535 9.335 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -14.065 49.662 8.459 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -14.986 50.296 5.879 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -18.146 47.501 5.730 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -17.073 49.473 4.497 1.00 0.00 H new ATOM 905 N HIS A 55 -11.467 47.089 9.355 1.00 0.00 N ATOM 906 CA HIS A 55 -10.166 47.395 9.942 1.00 0.00 C ATOM 907 C HIS A 55 -9.046 46.746 9.134 1.00 0.00 C ATOM 908 O HIS A 55 -8.146 47.429 8.644 1.00 0.00 O ATOM 909 CB HIS A 55 -10.114 46.892 11.385 1.00 0.00 C ATOM 910 CG HIS A 55 -10.479 48.013 12.320 1.00 0.00 C ATOM 911 ND1 HIS A 55 -9.560 48.970 12.721 1.00 0.00 N ATOM 912 CD2 HIS A 55 -11.658 48.341 12.944 1.00 0.00 C ATOM 913 CE1 HIS A 55 -10.194 49.820 13.548 1.00 0.00 C ATOM 914 NE2 HIS A 55 -11.476 49.482 13.718 1.00 0.00 N ATOM 0 H HIS A 55 -11.762 46.118 9.456 1.00 0.00 H new ATOM 0 HA HIS A 55 -10.028 48.476 9.928 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.802 46.057 11.515 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -9.115 46.521 11.617 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.585 47.796 12.848 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.725 50.672 14.018 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -12.171 49.959 14.292 1.00 0.00 H new ATOM 923 N HIS A 56 -9.107 45.426 9.001 1.00 0.00 N ATOM 924 CA HIS A 56 -8.091 44.697 8.250 1.00 0.00 C ATOM 925 C HIS A 56 -8.714 43.994 7.049 1.00 0.00 C ATOM 926 O HIS A 56 -8.150 43.039 6.513 1.00 0.00 O ATOM 927 CB HIS A 56 -7.413 43.665 9.154 1.00 0.00 C ATOM 928 CG HIS A 56 -6.352 44.341 9.980 1.00 0.00 C ATOM 929 ND1 HIS A 56 -5.145 44.758 9.438 1.00 0.00 N ATOM 930 CD2 HIS A 56 -6.301 44.679 11.310 1.00 0.00 C ATOM 931 CE1 HIS A 56 -4.428 45.317 10.429 1.00 0.00 C ATOM 932 NE2 HIS A 56 -5.086 45.295 11.590 1.00 0.00 N ATOM 0 H HIS A 56 -9.843 44.842 9.400 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.348 45.410 7.893 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.151 43.195 9.804 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -6.969 42.873 8.551 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.085 44.494 12.029 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.440 45.733 10.301 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.766 45.653 12.490 1.00 0.00 H new ATOM 941 N HIS A 57 -9.882 44.474 6.630 1.00 0.00 N ATOM 942 CA HIS A 57 -10.577 43.884 5.489 1.00 0.00 C ATOM 943 C HIS A 57 -10.600 42.364 5.605 1.00 0.00 C ATOM 944 O HIS A 57 -11.573 41.717 5.217 1.00 0.00 O ATOM 945 CB HIS A 57 -9.879 44.290 4.185 1.00 0.00 C ATOM 946 CG HIS A 57 -10.776 45.202 3.391 1.00 0.00 C ATOM 947 ND1 HIS A 57 -10.336 46.420 2.893 1.00 0.00 N ATOM 948 CD2 HIS A 57 -12.087 45.088 3.000 1.00 0.00 C ATOM 949 CE1 HIS A 57 -11.366 46.983 2.235 1.00 0.00 C ATOM 950 NE2 HIS A 57 -12.458 46.213 2.271 1.00 0.00 N ATOM 0 H HIS A 57 -10.364 45.264 7.059 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.603 44.252 5.481 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.938 44.793 4.407 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -9.637 43.403 3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -12.732 44.252 3.224 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.316 47.941 1.738 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -13.368 46.408 1.854 1.00 0.00 H new TER 959 HIS A 57