USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 HIS : no HD1:sc= -0.307 X(o=-4.6,f=-4.2) USER MOD Set 1.2: A 72 ASN : amide:sc= -4.24! C(o=-4.6!,f=-7.3!) USER MOD Set 2.1: A 51 HIS : no HD1:sc= -4.82! C(o=-7.4!,f=-7.9!) USER MOD Set 2.2: A 54 HIS : no HD1:sc= -2.55! K(o=-7.4!,f=-8.3) USER MOD Set 3.1: A 10 THR OG1 : rot 130:sc= -1.74 USER MOD Set 3.2: A 81 MET CE :methyl -139:sc= -5.3 (180deg=-2.94!) USER MOD Set 4.1: A 6 SER OG : rot 47:sc= -0.813 USER MOD Set 4.2: A 57 MET CE :methyl 160:sc= -6.88! (180deg=-6.69!) USER MOD Set 5.1: A 5 THR OG1 : rot -26:sc= 0.0322 USER MOD Set 5.2: A 92 GLN : amide:sc= 0.0223 X(o=0.055,f=0.024) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.152 (180deg=-0.732) USER MOD Single : A 1 MET N :NH3+ 179:sc= -1.37 (180deg=-1.39) USER MOD Single : A 4 SER OG : rot 121:sc= 0.408 USER MOD Single : A 7 HIS : no HD1:sc= -0.184 K(o=-0.18,f=-0.76) USER MOD Single : A 12 SER OG : rot -65:sc= 1.05 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2.72! C(o=-2.7!,f=-5!) USER MOD Single : A 21 CYS SG : rot -16:sc= -2.35 USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0909) USER MOD Single : A 23 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.082) USER MOD Single : A 26 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.49) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 45 ASN : amide:sc= -4.15 K(o=-4.2,f=-4.8!) USER MOD Single : A 46 CYS SG : rot 162:sc= -4.24 USER MOD Single : A 60 ASN : amide:sc= -2.15 K(o=-2.1,f=-8.8!) USER MOD Single : A 61 SER OG : rot -67:sc= -5.58! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -171:sc= -2.77 (180deg=-3.23!) USER MOD Single : A 71 GLN : amide:sc= -1.72! C(o=-1.7!,f=-2.6!) USER MOD Single : A 77 HIS : no HD1:sc= -3.23 X(o=-3.2,f=-3.6) USER MOD Single : A 79 GLN : amide:sc= -4.32 K(o=-4.3,f=-7.6!) USER MOD Single : A 83 ASN : amide:sc= -0.0506 K(o=-0.051,f=-2) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0645 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.385 15.479 -5.328 1.00 0.00 N ATOM 2 CA MET A 1 6.886 14.509 -4.315 1.00 0.00 C ATOM 3 C MET A 1 5.447 14.811 -3.918 1.00 0.00 C ATOM 4 O MET A 1 5.176 15.557 -2.978 1.00 0.00 O ATOM 5 CB MET A 1 7.814 14.536 -3.102 1.00 0.00 C ATOM 6 CG MET A 1 7.826 15.862 -2.360 1.00 0.00 C ATOM 7 SD MET A 1 9.328 16.816 -2.661 1.00 0.00 S ATOM 8 CE MET A 1 10.564 15.737 -1.941 1.00 0.00 C ATOM 0 H1 MET A 1 8.373 15.256 -5.565 1.00 0.00 H new ATOM 0 H2 MET A 1 6.801 15.416 -6.186 1.00 0.00 H new ATOM 0 H3 MET A 1 7.330 16.443 -4.942 1.00 0.00 H new ATOM 0 HA MET A 1 6.888 13.508 -4.747 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.514 13.748 -2.411 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.828 14.305 -3.428 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.960 16.451 -2.663 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.727 15.676 -1.291 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.409 16.332 -1.594 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.130 15.197 -1.100 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.907 15.024 -2.691 1.00 0.00 H new ATOM 17 N PHE A 2 4.531 14.198 -4.649 1.00 0.00 N ATOM 18 CA PHE A 2 3.099 14.356 -4.405 1.00 0.00 C ATOM 19 C PHE A 2 2.619 13.225 -3.503 1.00 0.00 C ATOM 20 O PHE A 2 3.371 12.283 -3.249 1.00 0.00 O ATOM 21 CB PHE A 2 2.321 14.359 -5.729 1.00 0.00 C ATOM 22 CG PHE A 2 3.145 14.747 -6.926 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.670 16.025 -7.036 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.383 13.838 -7.943 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.421 16.388 -8.137 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.132 14.197 -9.047 1.00 0.00 C ATOM 27 CZ PHE A 2 4.652 15.472 -9.144 1.00 0.00 C ATOM 0 H PHE A 2 4.754 13.577 -5.427 1.00 0.00 H new ATOM 0 HA PHE A 2 2.920 15.312 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.904 13.366 -5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.480 15.047 -5.642 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.490 16.745 -6.252 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.979 12.839 -7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.827 17.386 -8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.311 13.480 -9.834 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.239 15.753 -10.006 1.00 0.00 H new ATOM 37 N ARG A 3 1.384 13.298 -3.007 1.00 0.00 N ATOM 38 CA ARG A 3 0.892 12.234 -2.135 1.00 0.00 C ATOM 39 C ARG A 3 -0.621 12.017 -2.257 1.00 0.00 C ATOM 40 O ARG A 3 -1.413 12.945 -2.087 1.00 0.00 O ATOM 41 CB ARG A 3 1.273 12.501 -0.670 1.00 0.00 C ATOM 42 CG ARG A 3 2.079 11.371 -0.050 1.00 0.00 C ATOM 43 CD ARG A 3 3.554 11.724 0.079 1.00 0.00 C ATOM 44 NE ARG A 3 4.040 11.548 1.446 1.00 0.00 N ATOM 45 CZ ARG A 3 3.836 12.429 2.423 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.157 13.545 2.190 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.314 12.193 3.637 1.00 0.00 N ATOM 0 H ARG A 3 0.725 14.056 -3.186 1.00 0.00 H new ATOM 0 HA ARG A 3 1.377 11.317 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.849 13.425 -0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.365 12.655 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.675 11.136 0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.973 10.474 -0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.137 11.098 -0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.708 12.758 -0.231 1.00 0.00 H new ATOM 0 HE ARG A 3 4.566 10.702 1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.788 13.732 1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.004 14.216 2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.837 11.337 3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.158 12.867 4.386 1.00 0.00 H new ATOM 61 N SER A 4 -0.998 10.767 -2.529 1.00 0.00 N ATOM 62 CA SER A 4 -2.395 10.359 -2.655 1.00 0.00 C ATOM 63 C SER A 4 -2.710 9.329 -1.579 1.00 0.00 C ATOM 64 O SER A 4 -1.797 8.759 -0.982 1.00 0.00 O ATOM 65 CB SER A 4 -2.656 9.750 -4.041 1.00 0.00 C ATOM 66 OG SER A 4 -3.640 8.730 -3.980 1.00 0.00 O ATOM 0 H SER A 4 -0.336 10.004 -2.669 1.00 0.00 H new ATOM 0 HA SER A 4 -3.034 11.234 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.981 10.531 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.729 9.340 -4.441 1.00 0.00 H new ATOM 0 HG SER A 4 -4.388 8.962 -4.569 1.00 0.00 H new ATOM 72 N THR A 5 -3.990 9.081 -1.325 1.00 0.00 N ATOM 73 CA THR A 5 -4.356 8.101 -0.308 1.00 0.00 C ATOM 74 C THR A 5 -5.630 7.341 -0.664 1.00 0.00 C ATOM 75 O THR A 5 -6.659 7.939 -0.980 1.00 0.00 O ATOM 76 CB THR A 5 -4.519 8.772 1.063 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.695 9.560 1.095 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.361 9.670 1.468 1.00 0.00 C ATOM 0 H THR A 5 -4.775 9.532 -1.796 1.00 0.00 H new ATOM 0 HA THR A 5 -3.540 7.379 -0.264 1.00 0.00 H new ATOM 0 HB THR A 5 -4.563 7.942 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.918 9.852 0.187 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.561 10.102 2.449 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.443 9.084 1.510 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.247 10.470 0.736 1.00 0.00 H new ATOM 86 N SER A 6 -5.553 6.012 -0.586 1.00 0.00 N ATOM 87 CA SER A 6 -6.702 5.155 -0.875 1.00 0.00 C ATOM 88 C SER A 6 -7.190 4.461 0.399 1.00 0.00 C ATOM 89 O SER A 6 -6.417 3.792 1.085 1.00 0.00 O ATOM 90 CB SER A 6 -6.338 4.111 -1.932 1.00 0.00 C ATOM 91 OG SER A 6 -7.492 3.438 -2.404 1.00 0.00 O ATOM 0 H SER A 6 -4.707 5.506 -0.325 1.00 0.00 H new ATOM 0 HA SER A 6 -7.506 5.782 -1.261 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.829 4.595 -2.766 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.640 3.389 -1.509 1.00 0.00 H new ATOM 0 HG SER A 6 -8.188 4.093 -2.618 1.00 0.00 H new ATOM 97 N HIS A 7 -8.475 4.631 0.718 1.00 0.00 N ATOM 98 CA HIS A 7 -9.057 4.025 1.919 1.00 0.00 C ATOM 99 C HIS A 7 -9.989 2.861 1.564 1.00 0.00 C ATOM 100 O HIS A 7 -10.842 2.985 0.687 1.00 0.00 O ATOM 101 CB HIS A 7 -9.815 5.086 2.730 1.00 0.00 C ATOM 102 CG HIS A 7 -11.199 5.367 2.224 1.00 0.00 C ATOM 103 ND1 HIS A 7 -12.307 4.647 2.623 1.00 0.00 N ATOM 104 CD2 HIS A 7 -11.652 6.295 1.349 1.00 0.00 C ATOM 105 CE1 HIS A 7 -13.379 5.121 2.013 1.00 0.00 C ATOM 106 NE2 HIS A 7 -13.008 6.121 1.235 1.00 0.00 N ATOM 0 H HIS A 7 -9.131 5.181 0.164 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.242 3.626 2.523 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.878 4.759 3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -9.241 6.013 2.722 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.056 7.035 0.836 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -14.387 4.753 2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.629 6.675 0.645 1.00 0.00 H new ATOM 115 N VAL A 8 -9.820 1.728 2.253 1.00 0.00 N ATOM 116 CA VAL A 8 -10.648 0.548 2.007 1.00 0.00 C ATOM 117 C VAL A 8 -11.008 -0.145 3.316 1.00 0.00 C ATOM 118 O VAL A 8 -10.262 -0.058 4.291 1.00 0.00 O ATOM 119 CB VAL A 8 -9.932 -0.470 1.093 1.00 0.00 C ATOM 120 CG1 VAL A 8 -10.935 -1.403 0.430 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.082 0.236 0.047 1.00 0.00 C ATOM 0 H VAL A 8 -9.119 1.605 2.983 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.553 0.898 1.511 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.269 -1.069 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.407 -2.111 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.487 -1.948 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.631 -0.820 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.590 -0.505 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.718 0.871 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.329 0.849 0.543 1.00 0.00 H new ATOM 131 N ARG A 9 -12.137 -0.853 3.339 1.00 0.00 N ATOM 132 CA ARG A 9 -12.533 -1.568 4.550 1.00 0.00 C ATOM 133 C ARG A 9 -12.197 -3.054 4.424 1.00 0.00 C ATOM 134 O ARG A 9 -12.859 -3.793 3.696 1.00 0.00 O ATOM 135 CB ARG A 9 -14.026 -1.381 4.839 1.00 0.00 C ATOM 136 CG ARG A 9 -14.320 -0.131 5.652 1.00 0.00 C ATOM 137 CD ARG A 9 -13.961 1.131 4.884 1.00 0.00 C ATOM 138 NE ARG A 9 -14.451 1.095 3.508 1.00 0.00 N ATOM 139 CZ ARG A 9 -15.712 1.348 3.163 1.00 0.00 C ATOM 140 NH1 ARG A 9 -16.611 1.657 4.090 1.00 0.00 N ATOM 141 NH2 ARG A 9 -16.073 1.295 1.889 1.00 0.00 N ATOM 0 H ARG A 9 -12.780 -0.946 2.552 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.973 -1.150 5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.570 -1.331 3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.399 -2.253 5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.377 -0.108 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.758 -0.162 6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.380 1.998 5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.878 1.257 4.880 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.788 0.862 2.768 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.337 1.701 5.071 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.576 1.850 3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.385 1.060 1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.039 1.489 1.624 1.00 0.00 H new ATOM 155 N THR A 10 -11.153 -3.479 5.136 1.00 0.00 N ATOM 156 CA THR A 10 -10.706 -4.871 5.109 1.00 0.00 C ATOM 157 C THR A 10 -10.528 -5.433 6.523 1.00 0.00 C ATOM 158 O THR A 10 -10.313 -4.681 7.467 1.00 0.00 O ATOM 159 CB THR A 10 -9.406 -4.988 4.311 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.524 -5.979 3.306 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.207 -5.337 5.159 1.00 0.00 C ATOM 0 H THR A 10 -10.598 -2.874 5.742 1.00 0.00 H new ATOM 0 HA THR A 10 -11.477 -5.465 4.619 1.00 0.00 H new ATOM 0 HB THR A 10 -9.246 -4.000 3.879 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.230 -5.610 2.447 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.321 -5.403 4.527 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.058 -4.564 5.913 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.375 -6.296 5.650 1.00 0.00 H new ATOM 169 N GLU A 11 -10.592 -6.754 6.662 1.00 0.00 N ATOM 170 CA GLU A 11 -10.411 -7.390 7.969 1.00 0.00 C ATOM 171 C GLU A 11 -9.034 -8.057 8.090 1.00 0.00 C ATOM 172 O GLU A 11 -8.507 -8.591 7.114 1.00 0.00 O ATOM 173 CB GLU A 11 -11.515 -8.420 8.204 1.00 0.00 C ATOM 174 CG GLU A 11 -12.389 -8.092 9.399 1.00 0.00 C ATOM 175 CD GLU A 11 -13.869 -8.132 9.073 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.458 -9.232 9.121 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.438 -7.063 8.767 1.00 0.00 O ATOM 0 H GLU A 11 -10.766 -7.403 5.894 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.470 -6.612 8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.138 -8.486 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.063 -9.401 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.179 -8.799 10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.130 -7.101 9.771 1.00 0.00 H new ATOM 184 N SER A 12 -8.459 -8.028 9.300 1.00 0.00 N ATOM 185 CA SER A 12 -7.151 -8.633 9.553 1.00 0.00 C ATOM 186 C SER A 12 -6.072 -8.014 8.668 1.00 0.00 C ATOM 187 O SER A 12 -5.063 -8.645 8.355 1.00 0.00 O ATOM 188 CB SER A 12 -7.216 -10.143 9.338 1.00 0.00 C ATOM 189 OG SER A 12 -5.922 -10.719 9.329 1.00 0.00 O ATOM 0 H SER A 12 -8.883 -7.590 10.118 1.00 0.00 H new ATOM 0 HA SER A 12 -6.884 -8.435 10.591 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.814 -10.599 10.127 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.718 -10.357 8.394 1.00 0.00 H new ATOM 0 HG SER A 12 -5.420 -10.385 8.556 1.00 0.00 H new ATOM 195 N ALA A 13 -6.302 -6.772 8.276 1.00 0.00 N ATOM 196 CA ALA A 13 -5.362 -6.033 7.423 1.00 0.00 C ATOM 197 C ALA A 13 -3.927 -6.067 7.946 1.00 0.00 C ATOM 198 O ALA A 13 -2.999 -6.419 7.218 1.00 0.00 O ATOM 199 CB ALA A 13 -5.808 -4.590 7.292 1.00 0.00 C ATOM 0 H ALA A 13 -7.136 -6.244 8.533 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.368 -6.528 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.106 -4.048 6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.802 -4.555 6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.837 -4.127 8.278 1.00 0.00 H new ATOM 205 N ALA A 14 -3.748 -5.653 9.193 1.00 0.00 N ATOM 206 CA ALA A 14 -2.419 -5.579 9.816 1.00 0.00 C ATOM 207 C ALA A 14 -1.523 -6.786 9.512 1.00 0.00 C ATOM 208 O ALA A 14 -0.299 -6.685 9.605 1.00 0.00 O ATOM 209 CB ALA A 14 -2.568 -5.390 11.314 1.00 0.00 C ATOM 0 H ALA A 14 -4.510 -5.359 9.804 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.914 -4.719 9.375 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.581 -5.335 11.774 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.112 -4.466 11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.118 -6.232 11.734 1.00 0.00 H new ATOM 215 N ARG A 15 -2.113 -7.925 9.165 1.00 0.00 N ATOM 216 CA ARG A 15 -1.326 -9.125 8.873 1.00 0.00 C ATOM 217 C ARG A 15 -0.694 -9.080 7.494 1.00 0.00 C ATOM 218 O ARG A 15 0.476 -9.429 7.339 1.00 0.00 O ATOM 219 CB ARG A 15 -2.194 -10.377 8.992 1.00 0.00 C ATOM 220 CG ARG A 15 -1.434 -11.666 9.300 1.00 0.00 C ATOM 221 CD ARG A 15 0.033 -11.626 8.875 1.00 0.00 C ATOM 222 NE ARG A 15 0.804 -12.699 9.501 1.00 0.00 N ATOM 223 CZ ARG A 15 1.427 -12.583 10.673 1.00 0.00 C ATOM 224 NH1 ARG A 15 1.365 -11.449 11.361 1.00 0.00 N ATOM 225 NH2 ARG A 15 2.111 -13.609 11.163 1.00 0.00 N ATOM 0 H ARG A 15 -3.122 -8.046 9.079 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.523 -9.160 9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.934 -10.214 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.742 -10.511 8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.488 -11.863 10.371 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.927 -12.498 8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.101 -11.713 7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.464 -10.662 9.145 1.00 0.00 H new ATOM 0 HE ARG A 15 0.869 -13.591 9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.837 -10.657 10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.845 -11.369 12.257 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.159 -14.485 10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.589 -13.522 12.060 1.00 0.00 H new ATOM 239 N TYR A 16 -1.446 -8.656 6.488 1.00 0.00 N ATOM 240 CA TYR A 16 -0.885 -8.601 5.156 1.00 0.00 C ATOM 241 C TYR A 16 0.220 -7.564 5.121 1.00 0.00 C ATOM 242 O TYR A 16 1.272 -7.796 4.538 1.00 0.00 O ATOM 243 CB TYR A 16 -1.961 -8.327 4.098 1.00 0.00 C ATOM 244 CG TYR A 16 -2.981 -9.445 3.970 1.00 0.00 C ATOM 245 CD1 TYR A 16 -2.590 -10.769 3.770 1.00 0.00 C ATOM 246 CD2 TYR A 16 -4.339 -9.177 4.061 1.00 0.00 C ATOM 247 CE1 TYR A 16 -3.525 -11.781 3.663 1.00 0.00 C ATOM 248 CE2 TYR A 16 -5.278 -10.186 3.959 1.00 0.00 C ATOM 249 CZ TYR A 16 -4.867 -11.485 3.759 1.00 0.00 C ATOM 250 OH TYR A 16 -5.800 -12.490 3.657 1.00 0.00 O ATOM 0 H TYR A 16 -2.417 -8.354 6.568 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.460 -9.574 4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.478 -7.401 4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.479 -8.173 3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.539 -11.007 3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.669 -8.160 4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.205 -12.800 3.505 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.331 -9.956 4.036 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.700 -12.112 3.748 1.00 0.00 H new ATOM 260 N VAL A 17 0.013 -6.441 5.800 1.00 0.00 N ATOM 261 CA VAL A 17 1.053 -5.415 5.858 1.00 0.00 C ATOM 262 C VAL A 17 2.324 -6.040 6.409 1.00 0.00 C ATOM 263 O VAL A 17 3.421 -5.809 5.898 1.00 0.00 O ATOM 264 CB VAL A 17 0.643 -4.187 6.714 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.858 -3.460 7.288 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.173 -3.223 5.882 1.00 0.00 C ATOM 0 H VAL A 17 -0.843 -6.219 6.308 1.00 0.00 H new ATOM 0 HA VAL A 17 1.214 -5.043 4.846 1.00 0.00 H new ATOM 0 HB VAL A 17 0.046 -4.557 7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.526 -2.607 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.425 -4.143 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.492 -3.111 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.456 -2.365 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.419 -2.885 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.072 -3.724 5.522 1.00 0.00 H new ATOM 276 N ASN A 18 2.161 -6.849 7.448 1.00 0.00 N ATOM 277 CA ASN A 18 3.286 -7.528 8.062 1.00 0.00 C ATOM 278 C ASN A 18 3.800 -8.662 7.172 1.00 0.00 C ATOM 279 O ASN A 18 4.995 -8.950 7.167 1.00 0.00 O ATOM 280 CB ASN A 18 2.891 -8.081 9.433 1.00 0.00 C ATOM 281 CG ASN A 18 2.626 -6.982 10.444 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.860 -5.804 10.174 1.00 0.00 O ATOM 283 ND2 ASN A 18 2.137 -7.364 11.618 1.00 0.00 N ATOM 0 H ASN A 18 1.259 -7.049 7.881 1.00 0.00 H new ATOM 0 HA ASN A 18 4.087 -6.800 8.187 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.999 -8.699 9.330 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.686 -8.728 9.804 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.940 -6.670 12.339 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.958 -8.352 11.799 1.00 0.00 H new ATOM 290 N ARG A 19 2.900 -9.324 6.435 1.00 0.00 N ATOM 291 CA ARG A 19 3.304 -10.436 5.578 1.00 0.00 C ATOM 292 C ARG A 19 3.818 -9.987 4.204 1.00 0.00 C ATOM 293 O ARG A 19 4.558 -10.722 3.553 1.00 0.00 O ATOM 294 CB ARG A 19 2.137 -11.406 5.402 1.00 0.00 C ATOM 295 CG ARG A 19 2.532 -12.857 5.600 1.00 0.00 C ATOM 296 CD ARG A 19 1.849 -13.467 6.810 1.00 0.00 C ATOM 297 NE ARG A 19 2.011 -14.918 6.857 1.00 0.00 N ATOM 298 CZ ARG A 19 3.119 -15.527 7.270 1.00 0.00 C ATOM 299 NH1 ARG A 19 4.165 -14.816 7.673 1.00 0.00 N ATOM 300 NH2 ARG A 19 3.183 -16.852 7.282 1.00 0.00 N ATOM 0 H ARG A 19 1.903 -9.111 6.416 1.00 0.00 H new ATOM 0 HA ARG A 19 4.137 -10.930 6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.350 -11.150 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.718 -11.283 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.272 -13.429 4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.613 -12.926 5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.260 -13.027 7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.787 -13.221 6.789 1.00 0.00 H new ATOM 0 HE ARG A 19 1.228 -15.498 6.555 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.122 -13.797 7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.012 -15.289 7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.382 -17.404 6.974 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.033 -17.319 7.599 1.00 0.00 H new ATOM 314 N LEU A 20 3.419 -8.802 3.757 1.00 0.00 N ATOM 315 CA LEU A 20 3.840 -8.301 2.451 1.00 0.00 C ATOM 316 C LEU A 20 5.334 -8.009 2.413 1.00 0.00 C ATOM 317 O LEU A 20 6.025 -8.408 1.476 1.00 0.00 O ATOM 318 CB LEU A 20 3.058 -7.041 2.088 1.00 0.00 C ATOM 319 CG LEU A 20 1.546 -7.226 1.921 1.00 0.00 C ATOM 320 CD1 LEU A 20 0.944 -6.011 1.236 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.214 -8.494 1.135 1.00 0.00 C ATOM 0 H LEU A 20 2.807 -8.172 4.276 1.00 0.00 H new ATOM 0 HA LEU A 20 3.631 -9.082 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.231 -6.292 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.462 -6.639 1.159 1.00 0.00 H new ATOM 0 HG LEU A 20 1.113 -7.332 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.131 -6.153 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.131 -5.123 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.399 -5.884 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.133 -8.589 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.663 -8.436 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.609 -9.363 1.662 1.00 0.00 H new ATOM 333 N CYS A 21 5.833 -7.312 3.426 1.00 0.00 N ATOM 334 CA CYS A 21 7.252 -6.978 3.483 1.00 0.00 C ATOM 335 C CYS A 21 8.097 -8.243 3.388 1.00 0.00 C ATOM 336 O CYS A 21 9.094 -8.288 2.672 1.00 0.00 O ATOM 337 CB CYS A 21 7.578 -6.224 4.772 1.00 0.00 C ATOM 338 SG CYS A 21 6.885 -6.978 6.260 1.00 0.00 S ATOM 0 H CYS A 21 5.283 -6.969 4.213 1.00 0.00 H new ATOM 0 HA CYS A 21 7.486 -6.333 2.636 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.661 -6.161 4.880 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.206 -5.203 4.688 1.00 0.00 H new ATOM 0 HG CYS A 21 5.960 -7.828 5.925 1.00 0.00 H new ATOM 344 N LYS A 22 7.673 -9.274 4.101 1.00 0.00 N ATOM 345 CA LYS A 22 8.372 -10.550 4.086 1.00 0.00 C ATOM 346 C LYS A 22 8.098 -11.293 2.780 1.00 0.00 C ATOM 347 O LYS A 22 8.845 -12.191 2.393 1.00 0.00 O ATOM 348 CB LYS A 22 7.941 -11.408 5.278 1.00 0.00 C ATOM 349 CG LYS A 22 8.243 -10.780 6.632 1.00 0.00 C ATOM 350 CD LYS A 22 7.096 -10.991 7.606 1.00 0.00 C ATOM 351 CE LYS A 22 7.046 -12.425 8.096 1.00 0.00 C ATOM 352 NZ LYS A 22 8.145 -12.725 9.055 1.00 0.00 N ATOM 0 H LYS A 22 6.847 -9.253 4.699 1.00 0.00 H new ATOM 0 HA LYS A 22 9.442 -10.357 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.870 -11.598 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.441 -12.375 5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.155 -11.214 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.426 -9.713 6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.209 -10.318 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.153 -10.737 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.085 -12.611 8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.113 -13.102 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.953 -13.630 9.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.047 -12.788 8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.204 -11.967 9.764 1.00 0.00 H new ATOM 366 N HIS A 23 7.010 -10.913 2.112 1.00 0.00 N ATOM 367 CA HIS A 23 6.617 -11.542 0.854 1.00 0.00 C ATOM 368 C HIS A 23 7.337 -10.923 -0.341 1.00 0.00 C ATOM 369 O HIS A 23 8.120 -11.593 -1.013 1.00 0.00 O ATOM 370 CB HIS A 23 5.105 -11.438 0.655 1.00 0.00 C ATOM 371 CG HIS A 23 4.575 -12.358 -0.401 1.00 0.00 C ATOM 372 ND1 HIS A 23 3.451 -13.136 -0.227 1.00 0.00 N ATOM 373 CD2 HIS A 23 5.023 -12.622 -1.651 1.00 0.00 C ATOM 374 CE1 HIS A 23 3.230 -13.840 -1.324 1.00 0.00 C ATOM 375 NE2 HIS A 23 4.169 -13.544 -2.203 1.00 0.00 N ATOM 0 H HIS A 23 6.384 -10.170 2.423 1.00 0.00 H new ATOM 0 HA HIS A 23 6.905 -12.592 0.914 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.607 -11.657 1.599 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.851 -10.411 0.391 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.891 -12.188 -2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.420 -14.538 -1.475 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.247 -13.937 -3.141 1.00 0.00 H new ATOM 384 N TRP A 24 7.060 -9.647 -0.613 1.00 0.00 N ATOM 385 CA TRP A 24 7.685 -8.969 -1.743 1.00 0.00 C ATOM 386 C TRP A 24 9.111 -8.527 -1.409 1.00 0.00 C ATOM 387 O TRP A 24 9.866 -8.140 -2.300 1.00 0.00 O ATOM 388 CB TRP A 24 6.847 -7.764 -2.170 1.00 0.00 C ATOM 389 CG TRP A 24 5.508 -8.141 -2.729 1.00 0.00 C ATOM 390 CD1 TRP A 24 4.485 -8.753 -2.065 1.00 0.00 C ATOM 391 CD2 TRP A 24 5.048 -7.929 -4.068 1.00 0.00 C ATOM 392 NE1 TRP A 24 3.416 -8.936 -2.909 1.00 0.00 N ATOM 393 CE2 TRP A 24 3.738 -8.439 -4.145 1.00 0.00 C ATOM 394 CE3 TRP A 24 5.617 -7.358 -5.210 1.00 0.00 C ATOM 395 CZ2 TRP A 24 2.989 -8.393 -5.318 1.00 0.00 C ATOM 396 CZ3 TRP A 24 4.872 -7.313 -6.374 1.00 0.00 C ATOM 397 CH2 TRP A 24 3.570 -7.828 -6.420 1.00 0.00 C ATOM 0 H TRP A 24 6.415 -9.071 -0.072 1.00 0.00 H new ATOM 0 HA TRP A 24 7.737 -9.678 -2.569 1.00 0.00 H new ATOM 0 HB2 TRP A 24 6.703 -7.108 -1.312 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.398 -7.194 -2.918 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.512 -9.050 -1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.528 -9.371 -2.657 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.620 -6.959 -5.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.985 -8.789 -5.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 5.301 -6.874 -7.262 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.014 -7.778 -7.344 1.00 0.00 H new ATOM 408 N GLY A 25 9.482 -8.583 -0.125 1.00 0.00 N ATOM 409 CA GLY A 25 10.818 -8.184 0.274 1.00 0.00 C ATOM 410 C GLY A 25 11.885 -9.149 -0.202 1.00 0.00 C ATOM 411 O GLY A 25 12.569 -9.774 0.608 1.00 0.00 O ATOM 0 H GLY A 25 8.881 -8.896 0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.029 -7.191 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.861 -8.109 1.361 1.00 0.00 H new ATOM 415 N HIS A 26 12.030 -9.271 -1.516 1.00 0.00 N ATOM 416 CA HIS A 26 13.024 -10.165 -2.095 1.00 0.00 C ATOM 417 C HIS A 26 14.134 -9.371 -2.779 1.00 0.00 C ATOM 418 O HIS A 26 15.258 -9.853 -2.919 1.00 0.00 O ATOM 419 CB HIS A 26 12.363 -11.117 -3.096 1.00 0.00 C ATOM 420 CG HIS A 26 12.322 -12.539 -2.630 1.00 0.00 C ATOM 421 ND1 HIS A 26 12.274 -12.894 -1.299 1.00 0.00 N ATOM 422 CD2 HIS A 26 12.323 -13.700 -3.327 1.00 0.00 C ATOM 423 CE1 HIS A 26 12.247 -14.211 -1.197 1.00 0.00 C ATOM 424 NE2 HIS A 26 12.276 -14.724 -2.413 1.00 0.00 N ATOM 0 H HIS A 26 11.471 -8.762 -2.201 1.00 0.00 H new ATOM 0 HA HIS A 26 13.466 -10.751 -1.289 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.346 -10.777 -3.291 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.902 -11.068 -4.042 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.355 -13.802 -4.402 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.208 -14.773 -0.275 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.265 -15.719 -2.637 1.00 0.00 H new ATOM 433 N LYS A 27 13.809 -8.154 -3.208 1.00 0.00 N ATOM 434 CA LYS A 27 14.784 -7.298 -3.883 1.00 0.00 C ATOM 435 C LYS A 27 14.445 -5.823 -3.663 1.00 0.00 C ATOM 436 O LYS A 27 14.827 -4.961 -4.453 1.00 0.00 O ATOM 437 CB LYS A 27 14.806 -7.631 -5.384 1.00 0.00 C ATOM 438 CG LYS A 27 15.668 -6.703 -6.235 1.00 0.00 C ATOM 439 CD LYS A 27 14.816 -5.739 -7.047 1.00 0.00 C ATOM 440 CE LYS A 27 14.381 -6.351 -8.370 1.00 0.00 C ATOM 441 NZ LYS A 27 14.842 -5.545 -9.533 1.00 0.00 N ATOM 0 H LYS A 27 12.883 -7.739 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 27 15.773 -7.482 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.164 -8.653 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.784 -7.603 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.343 -6.140 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.289 -7.296 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.936 -5.456 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.380 -4.826 -7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.778 -7.363 -8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.294 -6.432 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.525 -5.996 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.443 -4.587 -9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.880 -5.489 -9.527 1.00 0.00 H new ATOM 455 N PHE A 28 13.724 -5.536 -2.583 1.00 0.00 N ATOM 456 CA PHE A 28 13.339 -4.169 -2.272 1.00 0.00 C ATOM 457 C PHE A 28 13.443 -3.896 -0.781 1.00 0.00 C ATOM 458 O PHE A 28 13.402 -4.814 0.037 1.00 0.00 O ATOM 459 CB PHE A 28 11.915 -3.897 -2.754 1.00 0.00 C ATOM 460 CG PHE A 28 11.824 -3.671 -4.235 1.00 0.00 C ATOM 461 CD1 PHE A 28 12.015 -2.406 -4.767 1.00 0.00 C ATOM 462 CD2 PHE A 28 11.551 -4.723 -5.093 1.00 0.00 C ATOM 463 CE1 PHE A 28 11.934 -2.197 -6.130 1.00 0.00 C ATOM 464 CE2 PHE A 28 11.469 -4.520 -6.457 1.00 0.00 C ATOM 465 CZ PHE A 28 11.661 -3.255 -6.976 1.00 0.00 C ATOM 0 H PHE A 28 13.397 -6.231 -1.912 1.00 0.00 H new ATOM 0 HA PHE A 28 14.026 -3.500 -2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.279 -4.740 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.524 -3.022 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.229 -1.576 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.400 -5.714 -4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.084 -1.207 -6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.255 -5.349 -7.116 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.598 -3.093 -8.042 1.00 0.00 H new ATOM 475 N GLU A 29 13.570 -2.623 -0.438 1.00 0.00 N ATOM 476 CA GLU A 29 13.672 -2.218 0.957 1.00 0.00 C ATOM 477 C GLU A 29 12.295 -2.220 1.606 1.00 0.00 C ATOM 478 O GLU A 29 11.520 -1.277 1.442 1.00 0.00 O ATOM 479 CB GLU A 29 14.305 -0.830 1.066 1.00 0.00 C ATOM 480 CG GLU A 29 13.785 0.157 0.036 1.00 0.00 C ATOM 481 CD GLU A 29 14.719 0.310 -1.149 1.00 0.00 C ATOM 482 OE1 GLU A 29 14.813 -0.638 -1.957 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.355 1.378 -1.269 1.00 0.00 O ATOM 0 H GLU A 29 13.605 -1.853 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 29 14.309 -2.931 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.120 -0.433 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.385 -0.923 0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.808 -0.173 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.642 1.129 0.509 1.00 0.00 H new ATOM 490 N VAL A 30 11.989 -3.290 2.332 1.00 0.00 N ATOM 491 CA VAL A 30 10.692 -3.414 2.988 1.00 0.00 C ATOM 492 C VAL A 30 10.812 -3.350 4.507 1.00 0.00 C ATOM 493 O VAL A 30 11.523 -4.148 5.118 1.00 0.00 O ATOM 494 CB VAL A 30 9.974 -4.733 2.609 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.038 -4.531 1.430 1.00 0.00 C ATOM 496 CG2 VAL A 30 10.976 -5.837 2.313 1.00 0.00 C ATOM 0 H VAL A 30 12.617 -4.080 2.481 1.00 0.00 H new ATOM 0 HA VAL A 30 10.103 -2.567 2.636 1.00 0.00 H new ATOM 0 HB VAL A 30 9.375 -5.038 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.549 -5.475 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.284 -3.787 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.608 -4.186 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.443 -6.751 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.613 -5.536 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.591 -6.016 3.195 1.00 0.00 H new ATOM 506 N GLU A 31 10.090 -2.410 5.115 1.00 0.00 N ATOM 507 CA GLU A 31 10.094 -2.261 6.563 1.00 0.00 C ATOM 508 C GLU A 31 8.807 -2.837 7.148 1.00 0.00 C ATOM 509 O GLU A 31 7.786 -2.907 6.464 1.00 0.00 O ATOM 510 CB GLU A 31 10.240 -0.787 6.949 1.00 0.00 C ATOM 511 CG GLU A 31 11.360 -0.527 7.943 1.00 0.00 C ATOM 512 CD GLU A 31 11.778 0.930 7.985 1.00 0.00 C ATOM 513 OE1 GLU A 31 12.494 1.368 7.060 1.00 0.00 O ATOM 514 OE2 GLU A 31 11.388 1.632 8.941 1.00 0.00 O ATOM 0 H GLU A 31 9.496 -1.742 4.624 1.00 0.00 H new ATOM 0 HA GLU A 31 10.944 -2.808 6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.421 -0.200 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.300 -0.436 7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.037 -0.837 8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.222 -1.141 7.682 1.00 0.00 H new ATOM 521 N LEU A 32 8.857 -3.256 8.407 1.00 0.00 N ATOM 522 CA LEU A 32 7.683 -3.833 9.059 1.00 0.00 C ATOM 523 C LEU A 32 7.491 -3.265 10.458 1.00 0.00 C ATOM 524 O LEU A 32 8.238 -3.585 11.382 1.00 0.00 O ATOM 525 CB LEU A 32 7.804 -5.362 9.126 1.00 0.00 C ATOM 526 CG LEU A 32 6.509 -6.133 9.438 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.829 -7.586 9.749 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.755 -5.499 10.602 1.00 0.00 C ATOM 0 H LEU A 32 9.690 -3.209 8.994 1.00 0.00 H new ATOM 0 HA LEU A 32 6.810 -3.570 8.462 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.193 -5.717 8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.544 -5.614 9.885 1.00 0.00 H new ATOM 0 HG LEU A 32 5.868 -6.088 8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.906 -8.123 9.968 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.319 -8.043 8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.492 -7.636 10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.845 -6.066 10.798 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.386 -5.506 11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.495 -4.471 10.350 1.00 0.00 H new ATOM 540 N THR A 33 6.460 -2.444 10.609 1.00 0.00 N ATOM 541 CA THR A 33 6.133 -1.850 11.898 1.00 0.00 C ATOM 542 C THR A 33 4.669 -2.127 12.208 1.00 0.00 C ATOM 543 O THR A 33 3.894 -2.446 11.307 1.00 0.00 O ATOM 544 CB THR A 33 6.391 -0.343 11.877 1.00 0.00 C ATOM 545 OG1 THR A 33 6.033 0.210 10.622 1.00 0.00 O ATOM 546 CG2 THR A 33 7.837 0.020 12.141 1.00 0.00 C ATOM 0 H THR A 33 5.833 -2.174 9.851 1.00 0.00 H new ATOM 0 HA THR A 33 6.765 -2.290 12.670 1.00 0.00 H new ATOM 0 HB THR A 33 5.777 0.066 12.679 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.204 1.175 10.629 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.951 1.104 12.112 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.131 -0.350 13.123 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.471 -0.432 11.378 1.00 0.00 H new ATOM 554 N PRO A 34 4.257 -2.005 13.474 1.00 0.00 N ATOM 555 CA PRO A 34 2.869 -2.245 13.858 1.00 0.00 C ATOM 556 C PRO A 34 1.975 -1.080 13.475 1.00 0.00 C ATOM 557 O PRO A 34 1.217 -0.562 14.295 1.00 0.00 O ATOM 558 CB PRO A 34 2.946 -2.395 15.369 1.00 0.00 C ATOM 559 CG PRO A 34 4.131 -1.587 15.778 1.00 0.00 C ATOM 560 CD PRO A 34 5.096 -1.618 14.619 1.00 0.00 C ATOM 0 HA PRO A 34 2.439 -3.114 13.359 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.037 -2.032 15.848 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.063 -3.440 15.656 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.839 -0.563 16.012 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.591 -2.001 16.676 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.564 -0.646 14.462 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.900 -2.335 14.787 1.00 0.00 H new ATOM 568 N GLU A 35 2.084 -0.671 12.220 1.00 0.00 N ATOM 569 CA GLU A 35 1.309 0.441 11.701 1.00 0.00 C ATOM 570 C GLU A 35 1.186 0.368 10.178 1.00 0.00 C ATOM 571 O GLU A 35 0.126 0.662 9.626 1.00 0.00 O ATOM 572 CB GLU A 35 1.952 1.775 12.108 1.00 0.00 C ATOM 573 CG GLU A 35 2.011 1.996 13.611 1.00 0.00 C ATOM 574 CD GLU A 35 0.636 2.080 14.244 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.340 2.342 13.511 1.00 0.00 O ATOM 576 OE2 GLU A 35 0.537 1.884 15.473 1.00 0.00 O ATOM 0 H GLU A 35 2.709 -1.099 11.537 1.00 0.00 H new ATOM 0 HA GLU A 35 0.308 0.378 12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.964 1.818 11.704 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.392 2.591 11.652 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.570 1.182 14.072 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.559 2.916 13.818 1.00 0.00 H new ATOM 583 N ARG A 36 2.269 -0.016 9.494 1.00 0.00 N ATOM 584 CA ARG A 36 2.239 -0.107 8.042 1.00 0.00 C ATOM 585 C ARG A 36 3.480 -0.778 7.474 1.00 0.00 C ATOM 586 O ARG A 36 4.478 -0.978 8.166 1.00 0.00 O ATOM 587 CB ARG A 36 2.099 1.285 7.423 1.00 0.00 C ATOM 588 CG ARG A 36 3.202 2.244 7.844 1.00 0.00 C ATOM 589 CD ARG A 36 2.668 3.646 8.086 1.00 0.00 C ATOM 590 NE ARG A 36 3.741 4.602 8.351 1.00 0.00 N ATOM 591 CZ ARG A 36 3.557 5.777 8.950 1.00 0.00 C ATOM 592 NH1 ARG A 36 2.344 6.147 9.341 1.00 0.00 N ATOM 593 NH2 ARG A 36 4.587 6.585 9.156 1.00 0.00 N ATOM 0 H ARG A 36 3.162 -0.264 9.920 1.00 0.00 H new ATOM 0 HA ARG A 36 1.376 -0.722 7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.101 1.194 6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.134 1.705 7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.678 1.874 8.752 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.970 2.276 7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.098 3.972 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.979 3.631 8.931 1.00 0.00 H new ATOM 0 HE ARG A 36 4.687 4.355 8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.547 5.530 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.209 7.048 9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.521 6.307 8.856 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.445 7.485 9.615 1.00 0.00 H new ATOM 607 N GLY A 37 3.404 -1.086 6.185 1.00 0.00 N ATOM 608 CA GLY A 37 4.515 -1.694 5.485 1.00 0.00 C ATOM 609 C GLY A 37 5.181 -0.677 4.564 1.00 0.00 C ATOM 610 O GLY A 37 4.513 -0.093 3.713 1.00 0.00 O ATOM 0 H GLY A 37 2.580 -0.922 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.241 -2.075 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.164 -2.547 4.903 1.00 0.00 H new ATOM 614 N PHE A 38 6.484 -0.444 4.727 1.00 0.00 N ATOM 615 CA PHE A 38 7.192 0.527 3.902 1.00 0.00 C ATOM 616 C PHE A 38 7.952 -0.180 2.793 1.00 0.00 C ATOM 617 O PHE A 38 8.870 -0.953 3.055 1.00 0.00 O ATOM 618 CB PHE A 38 8.152 1.326 4.786 1.00 0.00 C ATOM 619 CG PHE A 38 8.913 2.421 4.081 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.283 3.601 3.707 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.272 2.287 3.831 1.00 0.00 C ATOM 622 CE1 PHE A 38 8.991 4.618 3.100 1.00 0.00 C ATOM 623 CE2 PHE A 38 10.981 3.301 3.215 1.00 0.00 C ATOM 624 CZ PHE A 38 10.340 4.468 2.851 1.00 0.00 C ATOM 0 H PHE A 38 7.066 -0.914 5.421 1.00 0.00 H new ATOM 0 HA PHE A 38 6.476 1.207 3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.584 1.769 5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.869 0.637 5.232 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.226 3.724 3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.781 1.380 4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.489 5.532 2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.036 3.180 3.019 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.893 5.262 2.372 1.00 0.00 H new ATOM 634 N ILE A 39 7.574 0.100 1.554 1.00 0.00 N ATOM 635 CA ILE A 39 8.239 -0.508 0.404 1.00 0.00 C ATOM 636 C ILE A 39 8.571 0.571 -0.617 1.00 0.00 C ATOM 637 O ILE A 39 7.684 1.050 -1.325 1.00 0.00 O ATOM 638 CB ILE A 39 7.369 -1.594 -0.287 1.00 0.00 C ATOM 639 CG1 ILE A 39 6.521 -2.375 0.740 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.262 -2.540 -1.089 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.002 -3.711 0.237 1.00 0.00 C ATOM 0 H ILE A 39 6.816 0.740 1.317 1.00 0.00 H new ATOM 0 HA ILE A 39 9.143 -0.991 0.776 1.00 0.00 H new ATOM 0 HB ILE A 39 6.677 -1.099 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.121 -2.545 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.673 -1.758 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.647 -3.300 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.802 -1.974 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.975 -3.022 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.417 -4.193 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.373 -3.551 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.843 -4.350 -0.033 1.00 0.00 H new ATOM 653 N ASP A 40 9.837 0.977 -0.684 1.00 0.00 N ATOM 654 CA ASP A 40 10.229 2.023 -1.616 1.00 0.00 C ATOM 655 C ASP A 40 11.193 1.525 -2.680 1.00 0.00 C ATOM 656 O ASP A 40 12.099 0.734 -2.412 1.00 0.00 O ATOM 657 CB ASP A 40 10.852 3.204 -0.870 1.00 0.00 C ATOM 658 CG ASP A 40 11.915 2.771 0.119 1.00 0.00 C ATOM 659 OD1 ASP A 40 11.621 1.892 0.957 1.00 0.00 O ATOM 660 OD2 ASP A 40 13.039 3.309 0.057 1.00 0.00 O ATOM 0 H ASP A 40 10.595 0.603 -0.113 1.00 0.00 H new ATOM 0 HA ASP A 40 9.319 2.347 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.291 3.894 -1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.070 3.749 -0.342 1.00 0.00 H new ATOM 665 N PHE A 41 10.989 2.030 -3.886 1.00 0.00 N ATOM 666 CA PHE A 41 11.823 1.699 -5.034 1.00 0.00 C ATOM 667 C PHE A 41 13.082 2.566 -5.032 1.00 0.00 C ATOM 668 O PHE A 41 13.995 2.369 -5.834 1.00 0.00 O ATOM 669 CB PHE A 41 11.034 1.948 -6.324 1.00 0.00 C ATOM 670 CG PHE A 41 11.239 0.914 -7.391 1.00 0.00 C ATOM 671 CD1 PHE A 41 12.485 0.721 -7.964 1.00 0.00 C ATOM 672 CD2 PHE A 41 10.177 0.140 -7.825 1.00 0.00 C ATOM 673 CE1 PHE A 41 12.669 -0.229 -8.950 1.00 0.00 C ATOM 674 CE2 PHE A 41 10.354 -0.811 -8.812 1.00 0.00 C ATOM 675 CZ PHE A 41 11.602 -0.997 -9.375 1.00 0.00 C ATOM 0 H PHE A 41 10.236 2.685 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 41 12.112 0.650 -4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.972 1.995 -6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.314 2.923 -6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.322 1.320 -7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.200 0.281 -7.388 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.646 -0.371 -9.388 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.517 -1.408 -9.143 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.743 -1.741 -10.145 1.00 0.00 H new ATOM 685 N GLY A 42 13.103 3.540 -4.129 1.00 0.00 N ATOM 686 CA GLY A 42 14.221 4.455 -4.022 1.00 0.00 C ATOM 687 C GLY A 42 13.742 5.884 -3.872 1.00 0.00 C ATOM 688 O GLY A 42 13.459 6.334 -2.761 1.00 0.00 O ATOM 0 H GLY A 42 12.352 3.712 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.837 4.183 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.851 4.370 -4.908 1.00 0.00 H new ATOM 692 N ASP A 43 13.615 6.592 -4.991 1.00 0.00 N ATOM 693 CA ASP A 43 13.125 7.966 -4.965 1.00 0.00 C ATOM 694 C ASP A 43 11.623 7.958 -4.690 1.00 0.00 C ATOM 695 O ASP A 43 11.078 8.880 -4.083 1.00 0.00 O ATOM 696 CB ASP A 43 13.421 8.671 -6.291 1.00 0.00 C ATOM 697 CG ASP A 43 13.279 10.177 -6.189 1.00 0.00 C ATOM 698 OD1 ASP A 43 12.605 10.646 -5.249 1.00 0.00 O ATOM 699 OD2 ASP A 43 13.841 10.887 -7.049 1.00 0.00 O ATOM 0 H ASP A 43 13.843 6.240 -5.921 1.00 0.00 H new ATOM 0 HA ASP A 43 13.636 8.513 -4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.433 8.425 -6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.743 8.296 -7.058 1.00 0.00 H new ATOM 704 N SER A 44 10.973 6.884 -5.133 1.00 0.00 N ATOM 705 CA SER A 44 9.539 6.693 -4.942 1.00 0.00 C ATOM 706 C SER A 44 9.307 5.724 -3.778 1.00 0.00 C ATOM 707 O SER A 44 10.229 5.013 -3.378 1.00 0.00 O ATOM 708 CB SER A 44 8.920 6.159 -6.240 1.00 0.00 C ATOM 709 OG SER A 44 9.912 5.600 -7.084 1.00 0.00 O ATOM 0 H SER A 44 11.427 6.121 -5.635 1.00 0.00 H new ATOM 0 HA SER A 44 9.061 7.642 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.170 5.404 -6.005 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.407 6.967 -6.762 1.00 0.00 H new ATOM 0 HG SER A 44 9.493 5.265 -7.904 1.00 0.00 H new ATOM 715 N ASN A 45 8.094 5.695 -3.219 1.00 0.00 N ATOM 716 CA ASN A 45 7.816 4.804 -2.092 1.00 0.00 C ATOM 717 C ASN A 45 6.356 4.363 -2.076 1.00 0.00 C ATOM 718 O ASN A 45 5.528 4.901 -2.811 1.00 0.00 O ATOM 719 CB ASN A 45 8.158 5.491 -0.763 1.00 0.00 C ATOM 720 CG ASN A 45 9.253 6.533 -0.901 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.120 7.495 -1.657 1.00 0.00 O ATOM 722 ND2 ASN A 45 10.345 6.345 -0.167 1.00 0.00 N ATOM 0 H ASN A 45 7.304 6.266 -3.521 1.00 0.00 H new ATOM 0 HA ASN A 45 8.443 3.921 -2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.261 5.964 -0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.470 4.737 -0.040 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.115 7.012 -0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.413 5.533 0.447 1.00 0.00 H new ATOM 729 N CYS A 46 6.045 3.385 -1.227 1.00 0.00 N ATOM 730 CA CYS A 46 4.684 2.884 -1.114 1.00 0.00 C ATOM 731 C CYS A 46 4.443 2.285 0.267 1.00 0.00 C ATOM 732 O CYS A 46 4.868 1.166 0.556 1.00 0.00 O ATOM 733 CB CYS A 46 4.411 1.842 -2.194 1.00 0.00 C ATOM 734 SG CYS A 46 2.686 1.765 -2.726 1.00 0.00 S ATOM 0 H CYS A 46 6.717 2.928 -0.611 1.00 0.00 H new ATOM 0 HA CYS A 46 3.999 3.721 -1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.037 2.059 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.709 0.862 -1.822 1.00 0.00 H new ATOM 0 HG CYS A 46 2.612 1.156 -3.872 1.00 0.00 H new ATOM 740 N GLU A 47 3.754 3.039 1.115 1.00 0.00 N ATOM 741 CA GLU A 47 3.448 2.597 2.468 1.00 0.00 C ATOM 742 C GLU A 47 2.041 2.006 2.515 1.00 0.00 C ATOM 743 O GLU A 47 1.193 2.348 1.689 1.00 0.00 O ATOM 744 CB GLU A 47 3.584 3.783 3.432 1.00 0.00 C ATOM 745 CG GLU A 47 4.044 3.429 4.844 1.00 0.00 C ATOM 746 CD GLU A 47 4.801 4.565 5.503 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.561 5.732 5.134 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.637 4.285 6.389 1.00 0.00 O ATOM 0 H GLU A 47 3.395 3.966 0.886 1.00 0.00 H new ATOM 0 HA GLU A 47 4.150 1.820 2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.290 4.496 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.620 4.288 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.177 3.172 5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.680 2.545 4.806 1.00 0.00 H new ATOM 755 N LEU A 48 1.793 1.114 3.468 1.00 0.00 N ATOM 756 CA LEU A 48 0.475 0.481 3.583 1.00 0.00 C ATOM 757 C LEU A 48 0.035 0.389 5.039 1.00 0.00 C ATOM 758 O LEU A 48 0.628 -0.342 5.828 1.00 0.00 O ATOM 759 CB LEU A 48 0.484 -0.921 2.933 1.00 0.00 C ATOM 760 CG LEU A 48 -0.839 -1.703 3.000 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.035 -0.787 2.787 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.849 -2.832 1.977 1.00 0.00 C ATOM 0 H LEU A 48 2.474 0.813 4.165 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.243 1.106 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.767 -0.813 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.260 -1.517 3.413 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.918 -2.134 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.954 -1.370 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.047 -0.019 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.961 -0.314 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.793 -3.373 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.736 -2.417 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.025 -3.516 2.182 1.00 0.00 H new ATOM 774 N LEU A 49 -1.030 1.114 5.379 1.00 0.00 N ATOM 775 CA LEU A 49 -1.564 1.087 6.744 1.00 0.00 C ATOM 776 C LEU A 49 -2.579 -0.030 6.843 1.00 0.00 C ATOM 777 O LEU A 49 -3.424 -0.178 5.963 1.00 0.00 O ATOM 778 CB LEU A 49 -2.210 2.421 7.132 1.00 0.00 C ATOM 779 CG LEU A 49 -2.292 2.690 8.642 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.355 3.822 9.035 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.722 3.018 9.048 1.00 0.00 C ATOM 0 H LEU A 49 -1.537 1.722 4.737 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.740 0.917 7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.647 3.229 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.218 2.453 6.718 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.981 1.788 9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.427 3.998 10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.330 3.552 8.780 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.635 4.729 8.499 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.762 3.206 10.121 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.058 3.905 8.512 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.372 2.178 8.802 1.00 0.00 H new ATOM 793 N ALA A 50 -2.480 -0.844 7.883 1.00 0.00 N ATOM 794 CA ALA A 50 -3.391 -1.965 8.017 1.00 0.00 C ATOM 795 C ALA A 50 -3.780 -2.256 9.459 1.00 0.00 C ATOM 796 O ALA A 50 -2.956 -2.678 10.269 1.00 0.00 O ATOM 797 CB ALA A 50 -2.768 -3.186 7.370 1.00 0.00 C ATOM 0 H ALA A 50 -1.793 -0.752 8.631 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.319 -1.700 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.446 -4.034 7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.585 -2.985 6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.824 -3.418 7.864 1.00 0.00 H new ATOM 803 N HIS A 51 -5.061 -2.057 9.751 1.00 0.00 N ATOM 804 CA HIS A 51 -5.605 -2.321 11.060 1.00 0.00 C ATOM 805 C HIS A 51 -6.569 -3.512 10.961 1.00 0.00 C ATOM 806 O HIS A 51 -6.968 -3.907 9.866 1.00 0.00 O ATOM 807 CB HIS A 51 -6.301 -1.067 11.616 1.00 0.00 C ATOM 808 CG HIS A 51 -5.988 -0.797 13.056 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.911 -0.280 13.943 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.848 -0.977 13.769 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.354 -0.153 15.134 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.103 -0.569 15.055 1.00 0.00 N ATOM 0 H HIS A 51 -5.745 -1.707 9.080 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.805 -2.574 11.755 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.006 -0.203 11.020 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.379 -1.179 11.502 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.914 -1.368 13.395 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.839 0.226 16.021 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.434 -0.585 15.825 1.00 0.00 H new ATOM 821 N PRO A 52 -6.931 -4.113 12.096 1.00 0.00 N ATOM 822 CA PRO A 52 -7.820 -5.283 12.150 1.00 0.00 C ATOM 823 C PRO A 52 -9.078 -5.167 11.288 1.00 0.00 C ATOM 824 O PRO A 52 -9.702 -6.182 10.977 1.00 0.00 O ATOM 825 CB PRO A 52 -8.188 -5.361 13.628 1.00 0.00 C ATOM 826 CG PRO A 52 -7.001 -4.800 14.325 1.00 0.00 C ATOM 827 CD PRO A 52 -6.479 -3.710 13.429 1.00 0.00 C ATOM 0 HA PRO A 52 -7.324 -6.168 11.752 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.088 -4.786 13.846 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.384 -6.388 13.937 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.272 -4.405 15.304 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.245 -5.567 14.489 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.878 -2.735 13.710 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.393 -3.636 13.479 1.00 0.00 H new ATOM 835 N ASP A 53 -9.469 -3.951 10.909 1.00 0.00 N ATOM 836 CA ASP A 53 -10.676 -3.791 10.098 1.00 0.00 C ATOM 837 C ASP A 53 -10.559 -2.699 9.037 1.00 0.00 C ATOM 838 O ASP A 53 -11.511 -2.471 8.290 1.00 0.00 O ATOM 839 CB ASP A 53 -11.889 -3.519 10.992 1.00 0.00 C ATOM 840 CG ASP A 53 -11.922 -4.415 12.215 1.00 0.00 C ATOM 841 OD1 ASP A 53 -11.183 -4.129 13.181 1.00 0.00 O ATOM 842 OD2 ASP A 53 -12.687 -5.402 12.208 1.00 0.00 O ATOM 0 H ASP A 53 -8.984 -3.084 11.142 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.808 -4.733 9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.876 -2.476 11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.802 -3.664 10.414 1.00 0.00 H new ATOM 847 N HIS A 54 -9.408 -2.045 8.930 1.00 0.00 N ATOM 848 CA HIS A 54 -9.251 -1.023 7.900 1.00 0.00 C ATOM 849 C HIS A 54 -7.824 -0.989 7.355 1.00 0.00 C ATOM 850 O HIS A 54 -6.889 -1.428 8.022 1.00 0.00 O ATOM 851 CB HIS A 54 -9.670 0.359 8.405 1.00 0.00 C ATOM 852 CG HIS A 54 -8.945 0.812 9.634 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.775 1.538 9.592 1.00 0.00 N ATOM 854 CD2 HIS A 54 -9.243 0.656 10.946 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.383 1.809 10.824 1.00 0.00 C ATOM 856 NE2 HIS A 54 -8.256 1.287 11.666 1.00 0.00 N ATOM 0 H HIS A 54 -8.592 -2.196 9.523 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.917 -1.295 7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.506 1.088 7.611 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.740 0.348 8.612 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.097 0.133 11.351 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.498 2.364 11.097 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -8.206 1.343 12.683 1.00 0.00 H new ATOM 865 N VAL A 55 -7.664 -0.471 6.135 1.00 0.00 N ATOM 866 CA VAL A 55 -6.356 -0.394 5.508 1.00 0.00 C ATOM 867 C VAL A 55 -6.201 0.923 4.751 1.00 0.00 C ATOM 868 O VAL A 55 -7.123 1.378 4.075 1.00 0.00 O ATOM 869 CB VAL A 55 -6.131 -1.595 4.556 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.633 -1.305 3.147 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.667 -2.006 4.532 1.00 0.00 C ATOM 0 H VAL A 55 -8.427 -0.101 5.568 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.600 -0.433 6.293 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.715 -2.428 4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.456 -2.173 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.701 -1.090 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.102 -0.444 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.537 -2.851 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.060 -1.169 4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.353 -2.293 5.536 1.00 0.00 H new ATOM 881 N LEU A 56 -5.028 1.523 4.869 1.00 0.00 N ATOM 882 CA LEU A 56 -4.741 2.787 4.195 1.00 0.00 C ATOM 883 C LEU A 56 -3.568 2.612 3.241 1.00 0.00 C ATOM 884 O LEU A 56 -2.625 1.878 3.535 1.00 0.00 O ATOM 885 CB LEU A 56 -4.429 3.893 5.221 1.00 0.00 C ATOM 886 CG LEU A 56 -5.445 5.041 5.320 1.00 0.00 C ATOM 887 CD1 LEU A 56 -5.032 6.021 6.410 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.594 5.770 3.990 1.00 0.00 C ATOM 0 H LEU A 56 -4.255 1.158 5.425 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.622 3.085 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.339 3.431 6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.455 4.319 4.979 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.412 4.607 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.761 6.829 6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.988 5.502 7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.051 6.434 6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.320 6.576 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.631 6.186 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.937 5.070 3.228 1.00 0.00 H new ATOM 900 N MET A 57 -3.629 3.278 2.098 1.00 0.00 N ATOM 901 CA MET A 57 -2.564 3.174 1.110 1.00 0.00 C ATOM 902 C MET A 57 -2.036 4.556 0.731 1.00 0.00 C ATOM 903 O MET A 57 -2.753 5.360 0.137 1.00 0.00 O ATOM 904 CB MET A 57 -3.079 2.424 -0.122 1.00 0.00 C ATOM 905 CG MET A 57 -3.965 1.241 0.238 1.00 0.00 C ATOM 906 SD MET A 57 -4.571 0.360 -1.215 1.00 0.00 S ATOM 907 CE MET A 57 -6.331 0.658 -1.082 1.00 0.00 C ATOM 0 H MET A 57 -4.399 3.892 1.832 1.00 0.00 H new ATOM 0 HA MET A 57 -1.734 2.614 1.540 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.639 3.113 -0.754 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.231 2.072 -0.709 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.405 0.551 0.869 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.813 1.593 0.825 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.801 0.500 -2.053 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.762 -0.029 -0.354 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.503 1.685 -0.759 1.00 0.00 H new ATOM 917 N ILE A 58 -0.775 4.829 1.080 1.00 0.00 N ATOM 918 CA ILE A 58 -0.164 6.110 0.778 1.00 0.00 C ATOM 919 C ILE A 58 1.116 5.919 -0.025 1.00 0.00 C ATOM 920 O ILE A 58 1.922 5.039 0.275 1.00 0.00 O ATOM 921 CB ILE A 58 0.175 6.894 2.065 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.062 7.022 2.970 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.739 8.260 1.706 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.366 8.442 3.416 1.00 0.00 C ATOM 0 H ILE A 58 -0.165 4.175 1.571 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.889 6.678 0.195 1.00 0.00 H new ATOM 0 HB ILE A 58 0.933 6.344 2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.928 6.627 2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.918 6.399 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.976 8.807 2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.645 8.135 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.001 8.818 1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.253 8.442 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.519 8.836 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.545 9.068 2.542 1.00 0.00 H new ATOM 936 N LEU A 59 1.304 6.752 -1.040 1.00 0.00 N ATOM 937 CA LEU A 59 2.495 6.672 -1.873 1.00 0.00 C ATOM 938 C LEU A 59 3.295 7.961 -1.810 1.00 0.00 C ATOM 939 O LEU A 59 2.732 9.049 -1.763 1.00 0.00 O ATOM 940 CB LEU A 59 2.129 6.360 -3.336 1.00 0.00 C ATOM 941 CG LEU A 59 1.632 7.533 -4.194 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.421 8.177 -3.560 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.727 8.565 -4.425 1.00 0.00 C ATOM 0 H LEU A 59 0.649 7.488 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 59 3.108 5.859 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.007 5.933 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.358 5.589 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 59 1.348 7.132 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.083 9.006 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.378 7.441 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.683 8.549 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.337 9.379 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.063 8.960 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.566 8.096 -4.939 1.00 0.00 H new ATOM 955 N ASN A 60 4.610 7.830 -1.859 1.00 0.00 N ATOM 956 CA ASN A 60 5.487 8.989 -1.864 1.00 0.00 C ATOM 957 C ASN A 60 6.336 8.932 -3.120 1.00 0.00 C ATOM 958 O ASN A 60 7.281 8.148 -3.204 1.00 0.00 O ATOM 959 CB ASN A 60 6.377 9.013 -0.620 1.00 0.00 C ATOM 960 CG ASN A 60 5.607 8.710 0.650 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.386 8.558 0.630 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.321 8.620 1.768 1.00 0.00 N ATOM 0 H ASN A 60 5.094 6.933 -1.896 1.00 0.00 H new ATOM 0 HA ASN A 60 4.889 9.900 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.179 8.285 -0.737 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.846 9.993 -0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.858 8.418 2.654 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.332 8.753 1.740 1.00 0.00 H new ATOM 969 N SER A 61 5.982 9.738 -4.114 1.00 0.00 N ATOM 970 CA SER A 61 6.726 9.718 -5.376 1.00 0.00 C ATOM 971 C SER A 61 6.784 11.088 -6.061 1.00 0.00 C ATOM 972 O SER A 61 5.774 11.777 -6.197 1.00 0.00 O ATOM 973 CB SER A 61 6.111 8.698 -6.334 1.00 0.00 C ATOM 974 OG SER A 61 5.282 7.782 -5.642 1.00 0.00 O ATOM 0 H SER A 61 5.206 10.399 -4.079 1.00 0.00 H new ATOM 0 HA SER A 61 7.749 9.436 -5.127 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.529 9.216 -7.096 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.903 8.157 -6.851 1.00 0.00 H new ATOM 0 HG SER A 61 5.832 7.224 -5.053 1.00 0.00 H new ATOM 980 N PRO A 62 7.993 11.484 -6.499 1.00 0.00 N ATOM 981 CA PRO A 62 8.243 12.766 -7.179 1.00 0.00 C ATOM 982 C PRO A 62 7.518 12.929 -8.511 1.00 0.00 C ATOM 983 O PRO A 62 7.496 14.024 -9.071 1.00 0.00 O ATOM 984 CB PRO A 62 9.754 12.751 -7.410 1.00 0.00 C ATOM 985 CG PRO A 62 10.146 11.316 -7.348 1.00 0.00 C ATOM 986 CD PRO A 62 9.230 10.703 -6.343 1.00 0.00 C ATOM 0 HA PRO A 62 7.875 13.596 -6.576 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.009 13.187 -8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.274 13.334 -6.650 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.040 10.837 -8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.189 11.205 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.066 9.644 -6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.631 10.780 -5.332 1.00 0.00 H new ATOM 994 N ASP A 63 6.926 11.857 -9.028 1.00 0.00 N ATOM 995 CA ASP A 63 6.219 11.945 -10.299 1.00 0.00 C ATOM 996 C ASP A 63 4.943 11.102 -10.264 1.00 0.00 C ATOM 997 O ASP A 63 4.889 10.086 -9.573 1.00 0.00 O ATOM 998 CB ASP A 63 7.141 11.505 -11.444 1.00 0.00 C ATOM 999 CG ASP A 63 6.397 11.271 -12.745 1.00 0.00 C ATOM 1000 OD1 ASP A 63 6.215 12.243 -13.508 1.00 0.00 O ATOM 1001 OD2 ASP A 63 5.998 10.117 -13.002 1.00 0.00 O ATOM 0 H ASP A 63 6.921 10.933 -8.595 1.00 0.00 H new ATOM 0 HA ASP A 63 5.928 12.981 -10.471 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.906 12.266 -11.601 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.657 10.589 -11.157 1.00 0.00 H new ATOM 1006 N GLU A 64 3.910 11.528 -10.997 1.00 0.00 N ATOM 1007 CA GLU A 64 2.639 10.775 -11.001 1.00 0.00 C ATOM 1008 C GLU A 64 2.836 9.347 -11.502 1.00 0.00 C ATOM 1009 O GLU A 64 2.280 8.416 -10.925 1.00 0.00 O ATOM 1010 CB GLU A 64 1.535 11.471 -11.809 1.00 0.00 C ATOM 1011 CG GLU A 64 0.699 12.416 -10.960 1.00 0.00 C ATOM 1012 CD GLU A 64 1.262 13.824 -10.927 1.00 0.00 C ATOM 1013 OE1 GLU A 64 2.050 14.169 -11.831 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.913 14.580 -9.997 1.00 0.00 O ATOM 0 H GLU A 64 3.919 12.364 -11.581 1.00 0.00 H new ATOM 0 HA GLU A 64 2.310 10.742 -9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.987 12.028 -12.630 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.886 10.718 -12.255 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.318 12.445 -11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.640 12.029 -9.943 1.00 0.00 H new ATOM 1021 N ASP A 65 3.636 9.154 -12.556 1.00 0.00 N ATOM 1022 CA ASP A 65 3.883 7.804 -13.063 1.00 0.00 C ATOM 1023 C ASP A 65 4.262 6.906 -11.897 1.00 0.00 C ATOM 1024 O ASP A 65 3.622 5.888 -11.638 1.00 0.00 O ATOM 1025 CB ASP A 65 5.013 7.822 -14.084 1.00 0.00 C ATOM 1026 CG ASP A 65 5.088 6.542 -14.892 1.00 0.00 C ATOM 1027 OD1 ASP A 65 4.944 5.454 -14.296 1.00 0.00 O ATOM 1028 OD2 ASP A 65 5.291 6.627 -16.122 1.00 0.00 O ATOM 0 H ASP A 65 4.113 9.899 -13.064 1.00 0.00 H new ATOM 0 HA ASP A 65 2.983 7.428 -13.548 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.874 8.666 -14.759 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.961 7.978 -13.569 1.00 0.00 H new ATOM 1033 N SER A 66 5.279 7.342 -11.163 1.00 0.00 N ATOM 1034 CA SER A 66 5.727 6.636 -9.972 1.00 0.00 C ATOM 1035 C SER A 66 4.584 6.610 -8.967 1.00 0.00 C ATOM 1036 O SER A 66 4.131 5.554 -8.529 1.00 0.00 O ATOM 1037 CB SER A 66 6.936 7.346 -9.364 1.00 0.00 C ATOM 1038 OG SER A 66 8.085 7.190 -10.180 1.00 0.00 O ATOM 0 H SER A 66 5.811 8.186 -11.375 1.00 0.00 H new ATOM 0 HA SER A 66 6.019 5.619 -10.233 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.715 8.406 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.135 6.945 -8.370 1.00 0.00 H new ATOM 0 HG SER A 66 8.844 7.655 -9.769 1.00 0.00 H new ATOM 1044 N LEU A 67 4.117 7.808 -8.639 1.00 0.00 N ATOM 1045 CA LEU A 67 3.010 8.020 -7.710 1.00 0.00 C ATOM 1046 C LEU A 67 1.907 6.984 -7.910 1.00 0.00 C ATOM 1047 O LEU A 67 1.588 6.228 -6.993 1.00 0.00 O ATOM 1048 CB LEU A 67 2.483 9.459 -7.916 1.00 0.00 C ATOM 1049 CG LEU A 67 1.109 9.822 -7.335 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.859 11.312 -7.486 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.018 9.041 -7.996 1.00 0.00 C ATOM 0 H LEU A 67 4.502 8.674 -9.016 1.00 0.00 H new ATOM 0 HA LEU A 67 3.358 7.898 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.215 10.145 -7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.452 9.651 -8.988 1.00 0.00 H new ATOM 0 HG LEU A 67 1.121 9.554 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.118 11.561 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.631 11.866 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.884 11.580 -8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.971 9.331 -7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.034 9.258 -9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.142 7.973 -7.845 1.00 0.00 H new ATOM 1063 N ALA A 68 1.328 6.943 -9.099 1.00 0.00 N ATOM 1064 CA ALA A 68 0.268 5.988 -9.379 1.00 0.00 C ATOM 1065 C ALA A 68 0.811 4.565 -9.341 1.00 0.00 C ATOM 1066 O ALA A 68 0.116 3.637 -8.931 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.372 6.282 -10.728 1.00 0.00 C ATOM 0 H ALA A 68 1.571 7.554 -9.879 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.497 6.085 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.163 5.557 -10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.794 7.287 -10.719 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.383 6.213 -11.512 1.00 0.00 H new ATOM 1073 N HIS A 69 2.064 4.401 -9.762 1.00 0.00 N ATOM 1074 CA HIS A 69 2.699 3.089 -9.764 1.00 0.00 C ATOM 1075 C HIS A 69 2.644 2.473 -8.371 1.00 0.00 C ATOM 1076 O HIS A 69 2.455 1.268 -8.220 1.00 0.00 O ATOM 1077 CB HIS A 69 4.152 3.195 -10.231 1.00 0.00 C ATOM 1078 CG HIS A 69 4.763 1.876 -10.587 1.00 0.00 C ATOM 1079 ND1 HIS A 69 6.042 1.749 -11.086 1.00 0.00 N ATOM 1080 CD2 HIS A 69 4.263 0.619 -10.514 1.00 0.00 C ATOM 1081 CE1 HIS A 69 6.302 0.471 -11.305 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.240 -0.234 -10.965 1.00 0.00 N ATOM 0 H HIS A 69 2.656 5.158 -10.104 1.00 0.00 H new ATOM 0 HA HIS A 69 2.156 2.447 -10.457 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.199 3.854 -11.098 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.745 3.660 -9.444 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.279 0.340 -10.166 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.227 0.072 -11.696 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.158 -1.249 -11.027 1.00 0.00 H new ATOM 1091 N MET A 70 2.807 3.316 -7.356 1.00 0.00 N ATOM 1092 CA MET A 70 2.769 2.849 -5.968 1.00 0.00 C ATOM 1093 C MET A 70 1.324 2.644 -5.493 1.00 0.00 C ATOM 1094 O MET A 70 0.959 1.546 -5.072 1.00 0.00 O ATOM 1095 CB MET A 70 3.497 3.821 -5.016 1.00 0.00 C ATOM 1096 CG MET A 70 4.324 4.897 -5.703 1.00 0.00 C ATOM 1097 SD MET A 70 5.735 4.219 -6.602 1.00 0.00 S ATOM 1098 CE MET A 70 6.450 3.146 -5.358 1.00 0.00 C ATOM 0 H MET A 70 2.966 4.318 -7.463 1.00 0.00 H new ATOM 0 HA MET A 70 3.290 1.892 -5.943 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.756 4.305 -4.379 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.151 3.244 -4.362 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.690 5.452 -6.394 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.680 5.608 -4.957 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.416 2.780 -5.705 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.585 3.703 -4.431 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.784 2.301 -5.180 1.00 0.00 H new ATOM 1108 N GLN A 71 0.502 3.700 -5.552 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.893 3.598 -5.110 1.00 0.00 C ATOM 1110 C GLN A 71 -1.618 2.435 -5.786 1.00 0.00 C ATOM 1111 O GLN A 71 -2.554 1.870 -5.220 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.680 4.905 -5.328 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.304 5.695 -6.564 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.517 6.063 -7.400 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -2.779 7.240 -7.649 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -3.264 5.055 -7.835 1.00 0.00 N ATOM 0 H GLN A 71 0.774 4.621 -5.896 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.852 3.408 -4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.742 4.664 -5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.541 5.542 -4.455 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.780 6.604 -6.267 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.611 5.111 -7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.009 4.095 -7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.093 5.241 -8.400 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.186 2.073 -6.992 1.00 0.00 N ATOM 1126 CA ASN A 72 -1.809 0.970 -7.720 1.00 0.00 C ATOM 1127 C ASN A 72 -1.286 -0.379 -7.221 1.00 0.00 C ATOM 1128 O ASN A 72 -2.054 -1.322 -7.031 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.569 1.120 -9.232 1.00 0.00 C ATOM 1130 CG ASN A 72 -0.350 0.359 -9.723 1.00 0.00 C ATOM 1131 OD1 ASN A 72 0.710 0.939 -9.945 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -0.500 -0.950 -9.898 1.00 0.00 N ATOM 0 H ASN A 72 -0.413 2.523 -7.483 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.883 1.004 -7.536 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.450 0.768 -9.770 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.450 2.177 -9.471 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.283 -1.513 -10.229 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.398 -1.391 -9.701 1.00 0.00 H new ATOM 1139 N VAL A 73 0.026 -0.459 -7.013 1.00 0.00 N ATOM 1140 CA VAL A 73 0.665 -1.683 -6.539 1.00 0.00 C ATOM 1141 C VAL A 73 -0.086 -2.281 -5.348 1.00 0.00 C ATOM 1142 O VAL A 73 -0.354 -3.482 -5.313 1.00 0.00 O ATOM 1143 CB VAL A 73 2.139 -1.416 -6.151 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.694 -2.518 -5.259 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.996 -1.261 -7.398 1.00 0.00 C ATOM 0 H VAL A 73 0.671 0.316 -7.167 1.00 0.00 H new ATOM 0 HA VAL A 73 0.637 -2.403 -7.357 1.00 0.00 H new ATOM 0 HB VAL A 73 2.168 -0.486 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.731 -2.295 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.104 -2.578 -4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.645 -3.471 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.030 -1.074 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.945 -2.175 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.628 -0.423 -7.991 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.421 -1.439 -4.375 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.137 -1.898 -3.187 1.00 0.00 C ATOM 1157 C VAL A 74 -2.583 -2.261 -3.520 1.00 0.00 C ATOM 1158 O VAL A 74 -3.070 -3.314 -3.111 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.126 -0.842 -2.062 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -1.936 -1.313 -0.858 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.300 -0.507 -1.641 1.00 0.00 C ATOM 0 H VAL A 74 -0.210 -0.441 -4.384 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.612 -2.786 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.591 0.062 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.911 -0.549 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.968 -1.489 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.509 -2.238 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.279 0.240 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.794 -1.409 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.849 -0.112 -2.496 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.267 -1.393 -4.273 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.653 -1.654 -4.657 1.00 0.00 C ATOM 1173 C ALA A 75 -4.788 -3.070 -5.199 1.00 0.00 C ATOM 1174 O ALA A 75 -5.853 -3.684 -5.120 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.124 -0.644 -5.693 1.00 0.00 C ATOM 0 H ALA A 75 -2.887 -0.514 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.282 -1.554 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.158 -0.857 -5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.057 0.361 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.494 -0.712 -6.580 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.689 -3.581 -5.742 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.659 -4.929 -6.294 1.00 0.00 C ATOM 1183 C ASP A 76 -3.547 -5.971 -5.182 1.00 0.00 C ATOM 1184 O ASP A 76 -4.192 -7.019 -5.235 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.488 -5.077 -7.267 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.789 -6.050 -8.390 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -3.899 -5.977 -8.957 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -1.915 -6.886 -8.701 1.00 0.00 O ATOM 0 H ASP A 76 -2.804 -3.079 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.593 -5.096 -6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.245 -4.102 -7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.607 -5.416 -6.722 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.718 -5.683 -4.181 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.519 -6.605 -3.063 1.00 0.00 C ATOM 1195 C HIS A 77 -3.827 -6.876 -2.318 1.00 0.00 C ATOM 1196 O HIS A 77 -4.108 -8.013 -1.940 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.463 -6.061 -2.094 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.175 -5.685 -2.761 1.00 0.00 C ATOM 1199 ND1 HIS A 77 0.071 -5.898 -4.101 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.946 -5.109 -2.262 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.285 -5.471 -4.399 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.836 -4.988 -3.300 1.00 0.00 N ATOM 0 H HIS A 77 -2.175 -4.822 -4.120 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.166 -7.549 -3.478 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.867 -5.187 -1.583 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.261 -6.812 -1.330 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.108 -4.803 -1.239 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.748 -5.510 -5.374 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.772 -4.589 -3.233 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.627 -5.833 -2.110 1.00 0.00 N ATOM 1212 CA LEU A 78 -5.901 -5.974 -1.415 1.00 0.00 C ATOM 1213 C LEU A 78 -6.867 -6.854 -2.207 1.00 0.00 C ATOM 1214 O LEU A 78 -7.832 -7.381 -1.655 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.533 -4.595 -1.178 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.812 -3.683 -0.176 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.723 -2.539 0.241 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.356 -4.469 1.046 1.00 0.00 C ATOM 0 H LEU A 78 -4.415 -4.882 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.707 -6.452 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.591 -4.075 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.556 -4.742 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.928 -3.272 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.201 -1.899 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.000 -1.956 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.622 -2.941 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.848 -3.800 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.222 -4.912 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.671 -5.258 0.736 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.613 -7.002 -3.505 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.475 -7.808 -4.365 1.00 0.00 C ATOM 1232 C GLN A 79 -7.372 -9.297 -4.044 1.00 0.00 C ATOM 1233 O GLN A 79 -8.360 -9.930 -3.681 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.124 -7.574 -5.835 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.257 -6.125 -6.271 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.420 -5.900 -7.218 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.020 -6.851 -7.720 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.745 -4.637 -7.469 1.00 0.00 N ATOM 0 H GLN A 79 -5.819 -6.575 -3.983 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.502 -7.495 -4.177 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.101 -7.905 -6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.771 -8.192 -6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.385 -5.496 -5.390 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.333 -5.810 -6.756 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.221 -3.879 -7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.518 -4.425 -8.099 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.177 -9.855 -4.197 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.962 -11.279 -3.942 1.00 0.00 C ATOM 1249 C ARG A 80 -6.397 -11.677 -2.534 1.00 0.00 C ATOM 1250 O ARG A 80 -6.812 -12.814 -2.307 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.493 -11.659 -4.159 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.506 -10.605 -3.687 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.474 -11.189 -2.735 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.879 -12.416 -3.259 1.00 0.00 N ATOM 1255 CZ ARG A 80 -1.019 -12.448 -4.275 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -0.649 -11.324 -4.875 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -0.526 -13.607 -4.690 1.00 0.00 N ATOM 0 H ARG A 80 -5.344 -9.348 -4.495 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.580 -11.825 -4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.289 -12.593 -3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.330 -11.846 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.001 -10.168 -4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.045 -9.798 -3.190 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.690 -10.454 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.944 -11.396 -1.773 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.138 -13.300 -2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.024 -10.430 -4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.010 -11.354 -5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.806 -14.474 -4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.133 -13.632 -5.468 1.00 0.00 H new ATOM 1271 N MET A 81 -6.294 -10.750 -1.585 1.00 0.00 N ATOM 1272 CA MET A 81 -6.676 -11.041 -0.205 1.00 0.00 C ATOM 1273 C MET A 81 -8.184 -10.921 0.013 1.00 0.00 C ATOM 1274 O MET A 81 -8.704 -11.367 1.035 1.00 0.00 O ATOM 1275 CB MET A 81 -5.925 -10.129 0.769 1.00 0.00 C ATOM 1276 CG MET A 81 -6.168 -8.637 0.577 1.00 0.00 C ATOM 1277 SD MET A 81 -7.787 -8.098 1.163 1.00 0.00 S ATOM 1278 CE MET A 81 -7.403 -7.656 2.855 1.00 0.00 C ATOM 0 H MET A 81 -5.953 -9.802 -1.743 1.00 0.00 H new ATOM 0 HA MET A 81 -6.398 -12.076 -0.009 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.208 -10.399 1.786 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.857 -10.322 0.673 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.394 -8.079 1.104 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.072 -8.393 -0.481 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.204 -7.997 3.511 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.466 -8.128 3.151 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.305 -6.573 2.935 1.00 0.00 H new ATOM 1288 N ALA A 82 -8.880 -10.320 -0.945 1.00 0.00 N ATOM 1289 CA ALA A 82 -10.330 -10.150 -0.836 1.00 0.00 C ATOM 1290 C ALA A 82 -11.066 -10.995 -1.871 1.00 0.00 C ATOM 1291 O ALA A 82 -11.966 -11.764 -1.530 1.00 0.00 O ATOM 1292 CB ALA A 82 -10.703 -8.682 -0.985 1.00 0.00 C ATOM 0 H ALA A 82 -8.471 -9.944 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.635 -10.492 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.784 -8.571 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.217 -8.102 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.375 -8.320 -1.960 1.00 0.00 H new ATOM 1298 N ASN A 83 -10.679 -10.851 -3.134 1.00 0.00 N ATOM 1299 CA ASN A 83 -11.300 -11.603 -4.221 1.00 0.00 C ATOM 1300 C ASN A 83 -12.725 -11.117 -4.478 1.00 0.00 C ATOM 1301 O ASN A 83 -13.119 -10.048 -4.011 1.00 0.00 O ATOM 1302 CB ASN A 83 -11.307 -13.102 -3.900 1.00 0.00 C ATOM 1303 CG ASN A 83 -10.963 -13.953 -5.107 1.00 0.00 C ATOM 1304 OD1 ASN A 83 -11.222 -13.567 -6.247 1.00 0.00 O ATOM 1305 ND2 ASN A 83 -10.378 -15.119 -4.861 1.00 0.00 N ATOM 0 H ASN A 83 -9.936 -10.219 -3.432 1.00 0.00 H new ATOM 0 HA ASN A 83 -10.711 -11.437 -5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.593 -13.303 -3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -12.291 -13.386 -3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -10.124 -15.735 -5.633 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -10.182 -15.399 -3.900 1.00 0.00 H new ATOM 1312 N SER A 84 -13.490 -11.907 -5.228 1.00 0.00 N ATOM 1313 CA SER A 84 -14.871 -11.561 -5.553 1.00 0.00 C ATOM 1314 C SER A 84 -14.931 -10.292 -6.399 1.00 0.00 C ATOM 1315 O SER A 84 -15.085 -10.357 -7.620 1.00 0.00 O ATOM 1316 CB SER A 84 -15.693 -11.382 -4.274 1.00 0.00 C ATOM 1317 OG SER A 84 -16.986 -10.881 -4.566 1.00 0.00 O ATOM 0 H SER A 84 -13.175 -12.793 -5.623 1.00 0.00 H new ATOM 0 HA SER A 84 -15.296 -12.380 -6.133 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.778 -12.337 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.178 -10.698 -3.599 1.00 0.00 H new ATOM 0 HG SER A 84 -17.492 -10.777 -3.733 1.00 0.00 H new ATOM 1323 N GLU A 85 -14.811 -9.141 -5.748 1.00 0.00 N ATOM 1324 CA GLU A 85 -14.852 -7.859 -6.444 1.00 0.00 C ATOM 1325 C GLU A 85 -13.446 -7.302 -6.635 1.00 0.00 C ATOM 1326 O GLU A 85 -12.530 -7.635 -5.883 1.00 0.00 O ATOM 1327 CB GLU A 85 -15.708 -6.859 -5.664 1.00 0.00 C ATOM 1328 CG GLU A 85 -15.112 -6.460 -4.323 1.00 0.00 C ATOM 1329 CD GLU A 85 -15.928 -5.397 -3.615 1.00 0.00 C ATOM 1330 OE1 GLU A 85 -16.012 -4.266 -4.140 1.00 0.00 O ATOM 1331 OE2 GLU A 85 -16.482 -5.694 -2.536 1.00 0.00 O ATOM 0 H GLU A 85 -14.684 -9.068 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.298 -8.019 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.848 -5.964 -6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.695 -7.290 -5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.039 -7.341 -3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.097 -6.092 -4.476 1.00 0.00 H new ATOM 1338 N SER A 86 -13.279 -6.449 -7.642 1.00 0.00 N ATOM 1339 CA SER A 86 -11.980 -5.850 -7.916 1.00 0.00 C ATOM 1340 C SER A 86 -11.690 -4.722 -6.931 1.00 0.00 C ATOM 1341 O SER A 86 -11.706 -3.548 -7.297 1.00 0.00 O ATOM 1342 CB SER A 86 -11.931 -5.319 -9.351 1.00 0.00 C ATOM 1343 OG SER A 86 -13.207 -4.869 -9.772 1.00 0.00 O ATOM 0 H SER A 86 -14.023 -6.160 -8.277 1.00 0.00 H new ATOM 0 HA SER A 86 -11.217 -6.619 -7.798 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.214 -4.501 -9.415 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.579 -6.104 -10.021 1.00 0.00 H new ATOM 0 HG SER A 86 -13.149 -4.533 -10.691 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.429 -5.105 -5.679 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.130 -4.163 -4.591 1.00 0.00 C ATOM 1351 C LEU A 87 -11.737 -2.785 -4.798 1.00 0.00 C ATOM 1352 O LEU A 87 -11.251 -2.002 -5.613 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.616 -3.989 -4.400 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.060 -4.388 -3.029 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -8.991 -3.173 -2.118 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -9.888 -5.487 -2.372 1.00 0.00 C ATOM 0 H LEU A 87 -11.418 -6.082 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.581 -4.610 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.104 -4.577 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.365 -2.944 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.057 -4.783 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.594 -3.469 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.339 -2.421 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.990 -2.757 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.457 -5.737 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.912 -5.138 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.888 -6.372 -3.008 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.752 -2.464 -4.016 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.347 -1.146 -4.097 1.00 0.00 C ATOM 1370 C GLU A 88 -12.399 -0.163 -3.427 1.00 0.00 C ATOM 1371 O GLU A 88 -12.373 -0.053 -2.202 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.707 -1.128 -3.399 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.458 0.183 -3.561 1.00 0.00 C ATOM 1374 CD GLU A 88 -16.444 0.432 -2.435 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.050 -0.546 -1.951 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -16.608 1.605 -2.039 1.00 0.00 O ATOM 0 H GLU A 88 -13.175 -3.088 -3.329 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.505 -0.870 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.319 -1.939 -3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.563 -1.326 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.743 1.005 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.991 0.177 -4.512 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.599 0.532 -4.228 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.635 1.476 -3.684 1.00 0.00 C ATOM 1385 C ILE A 89 -10.779 2.859 -4.315 1.00 0.00 C ATOM 1386 O ILE A 89 -10.735 2.993 -5.538 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.172 0.970 -3.874 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.712 1.060 -5.344 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.030 -0.454 -3.364 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -8.943 -0.203 -6.151 1.00 0.00 C ATOM 0 H ILE A 89 -11.599 0.460 -5.245 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.847 1.555 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.526 1.625 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.236 1.885 -5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.649 1.301 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.003 -0.790 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.281 -0.487 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.705 -1.108 -3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.591 -0.052 -7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.397 -1.030 -5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.008 -0.436 -6.165 1.00 0.00 H new ATOM 1402 N ALA A 90 -10.921 3.898 -3.492 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.021 5.242 -4.030 1.00 0.00 C ATOM 1404 C ALA A 90 -9.663 5.916 -3.938 1.00 0.00 C ATOM 1405 O ALA A 90 -9.182 6.226 -2.849 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.077 6.064 -3.297 1.00 0.00 C ATOM 0 H ALA A 90 -10.968 3.833 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.331 5.178 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.123 7.064 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.049 5.581 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.815 6.135 -2.241 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.048 6.131 -5.089 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.736 6.757 -5.145 1.00 0.00 C ATOM 1414 C TRP A 91 -7.850 8.256 -5.378 1.00 0.00 C ATOM 1415 O TRP A 91 -8.574 8.705 -6.267 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.892 6.121 -6.251 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.500 6.252 -7.614 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.456 5.449 -8.165 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.192 7.246 -8.598 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.762 5.883 -9.432 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -7.999 6.984 -9.721 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -6.312 8.331 -8.639 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -7.952 7.769 -10.871 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -6.266 9.109 -9.782 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -7.082 8.824 -10.883 1.00 0.00 C ATOM 0 H TRP A 91 -9.436 5.881 -5.999 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.248 6.597 -4.183 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.905 6.583 -6.256 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.748 5.064 -6.026 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.906 4.597 -7.677 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.446 5.455 -10.056 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -5.679 8.558 -7.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.580 7.552 -11.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -5.590 9.950 -9.826 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -7.023 9.451 -11.761 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.125 9.024 -4.575 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.137 10.475 -4.696 1.00 0.00 C ATOM 1438 C GLN A 92 -6.060 10.936 -5.673 1.00 0.00 C ATOM 1439 O GLN A 92 -5.043 10.265 -5.851 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.917 11.125 -3.328 1.00 0.00 C ATOM 1441 CG GLN A 92 -8.068 10.907 -2.359 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.962 11.777 -1.121 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -7.727 11.282 -0.020 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.135 13.082 -1.298 1.00 0.00 N ATOM 0 H GLN A 92 -6.522 8.666 -3.834 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.111 10.781 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.003 10.727 -2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.765 12.196 -3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.010 11.117 -2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.093 9.859 -2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.328 13.449 -2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.075 13.717 -0.502 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.272 12.090 -6.328 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.319 12.635 -7.299 1.00 0.00 C ATOM 1455 C PRO A 93 -3.882 12.607 -6.799 1.00 0.00 C ATOM 1456 O PRO A 93 -2.958 12.356 -7.571 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.783 14.075 -7.468 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.247 14.038 -7.197 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.463 12.949 -6.179 1.00 0.00 C ATOM 0 HA PRO A 93 -5.308 12.053 -8.221 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.269 14.740 -6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.576 14.442 -8.473 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.596 14.999 -6.818 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.806 13.833 -8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.541 13.354 -5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.382 12.396 -6.373 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.706 12.882 -5.503 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.382 12.905 -4.872 1.00 0.00 C ATOM 1469 C ALA A 94 -1.862 14.334 -4.750 1.00 0.00 C ATOM 1470 O ALA A 94 -1.045 14.634 -3.880 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.376 12.039 -5.630 1.00 0.00 C ATOM 0 H ALA A 94 -4.473 13.094 -4.864 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.496 12.486 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.408 12.083 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.727 11.007 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.274 12.408 -6.651 1.00 0.00 H new ATOM 1477 N GLU A 95 -2.344 15.214 -5.625 1.00 0.00 N ATOM 1478 CA GLU A 95 -1.930 16.613 -5.612 1.00 0.00 C ATOM 1479 C GLU A 95 -2.656 17.403 -6.696 1.00 0.00 C ATOM 1480 O GLU A 95 -2.689 16.995 -7.858 1.00 0.00 O ATOM 1481 CB GLU A 95 -0.416 16.724 -5.807 1.00 0.00 C ATOM 1482 CG GLU A 95 0.091 18.157 -5.857 1.00 0.00 C ATOM 1483 CD GLU A 95 0.563 18.561 -7.239 1.00 0.00 C ATOM 1484 OE1 GLU A 95 1.054 17.683 -7.979 1.00 0.00 O ATOM 1485 OE2 GLU A 95 0.443 19.757 -7.582 1.00 0.00 O ATOM 0 H GLU A 95 -3.021 14.982 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.193 17.035 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.085 16.199 -4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.140 16.218 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.704 18.831 -5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.911 18.273 -5.149 1.00 0.00 H new ATOM 1492 N SER A 96 -3.235 18.534 -6.309 1.00 0.00 N ATOM 1493 CA SER A 96 -3.961 19.382 -7.248 1.00 0.00 C ATOM 1494 C SER A 96 -3.403 20.801 -7.245 1.00 0.00 C ATOM 1495 O SER A 96 -2.452 21.059 -6.476 1.00 0.00 O ATOM 1496 CB SER A 96 -5.451 19.407 -6.898 1.00 0.00 C ATOM 1497 OG SER A 96 -6.153 18.385 -7.582 1.00 0.00 O ATOM 1498 OXT SER A 96 -3.918 21.641 -8.011 1.00 0.00 O ATOM 0 H SER A 96 -3.216 18.885 -5.352 1.00 0.00 H new ATOM 0 HA SER A 96 -3.836 18.964 -8.247 1.00 0.00 H new ATOM 0 HB2 SER A 96 -5.577 19.282 -5.823 1.00 0.00 H new ATOM 0 HB3 SER A 96 -5.872 20.378 -7.158 1.00 0.00 H new ATOM 0 HG SER A 96 -7.102 18.422 -7.340 1.00 0.00 H new TER 1504 SER A 96