USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 355 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 22 SER OG : rot 180:sc= 0.0115 USER MOD Set 1.2: A 25 SER OG : rot -67:sc= 0.555 USER MOD Set 1.3: A 26 LYS NZ :NH3+ 134:sc= 1.16 (180deg=0.0105) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.113 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 153:sc= -0.264 (180deg=-1.31!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.372 K(o=-0.37,f=-1.8!) USER MOD Single : A 14 MET CE :methyl 135:sc= -4.41! (180deg=-8.86!) USER MOD Single : A 16 GLN : amide:sc= -0.723 K(o=-0.72,f=-3.4!) USER MOD Single : A 17 GLN : amide:sc= -2.38 K(o=-2.4,f=-4.1!) USER MOD Single : A 23 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-0.13) USER MOD Single : A 27 THR OG1 : rot 84:sc= -0.433 USER MOD Single : A 28 MET CE :methyl 170:sc= -10.8! (180deg=-11.6!) USER MOD Single : A 29 ASN : amide:sc= -0.496 K(o=-0.5,f=-3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.354 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 42 SER OG : rot 79:sc= 0.237 USER MOD Single : A 43 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.950 58.052 40.946 1.00 0.00 N ATOM 2 CA GLY A 1 -27.577 57.219 39.881 1.00 0.00 C ATOM 3 C GLY A 1 -26.746 57.319 38.600 1.00 0.00 C ATOM 4 O GLY A 1 -25.829 58.114 38.506 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.680 57.446 41.747 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.103 58.521 40.566 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.629 58.771 41.269 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.640 56.181 40.206 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.596 57.556 39.693 1.00 0.00 H new ATOM 10 N ARG A 2 -27.061 56.517 37.615 1.00 0.00 N ATOM 11 CA ARG A 2 -26.295 56.557 36.335 1.00 0.00 C ATOM 12 C ARG A 2 -26.984 57.510 35.356 1.00 0.00 C ATOM 13 O ARG A 2 -26.514 58.604 35.108 1.00 0.00 O ATOM 14 CB ARG A 2 -26.240 55.152 35.729 1.00 0.00 C ATOM 15 CG ARG A 2 -25.061 54.383 36.327 1.00 0.00 C ATOM 16 CD ARG A 2 -24.521 53.391 35.295 1.00 0.00 C ATOM 17 NE ARG A 2 -23.787 52.292 35.995 1.00 0.00 N ATOM 18 CZ ARG A 2 -23.470 51.172 35.375 1.00 0.00 C ATOM 19 NH1 ARG A 2 -23.785 50.970 34.116 1.00 0.00 N ATOM 20 NH2 ARG A 2 -22.829 50.242 36.028 1.00 0.00 N ATOM 0 H ARG A 2 -27.818 55.834 37.643 1.00 0.00 H new ATOM 0 HA ARG A 2 -25.282 56.908 36.529 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -27.172 54.622 35.928 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -26.134 55.216 34.646 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -24.275 55.077 36.626 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -25.377 53.853 37.225 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -25.341 52.978 34.708 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -23.856 53.901 34.598 1.00 0.00 H new ATOM 0 HE ARG A 2 -23.526 52.411 36.974 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -24.287 51.689 33.594 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -23.528 50.095 33.660 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -22.579 50.386 37.006 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -22.578 49.371 35.560 1.00 0.00 H new ATOM 34 N LYS A 3 -28.095 57.099 34.797 1.00 0.00 N ATOM 35 CA LYS A 3 -28.822 57.973 33.831 1.00 0.00 C ATOM 36 C LYS A 3 -30.162 58.403 34.438 1.00 0.00 C ATOM 37 O LYS A 3 -31.185 58.392 33.778 1.00 0.00 O ATOM 38 CB LYS A 3 -29.067 57.193 32.534 1.00 0.00 C ATOM 39 CG LYS A 3 -28.867 58.117 31.329 1.00 0.00 C ATOM 40 CD LYS A 3 -27.444 57.955 30.789 1.00 0.00 C ATOM 41 CE LYS A 3 -27.319 56.610 30.072 1.00 0.00 C ATOM 42 NZ LYS A 3 -28.330 56.532 28.980 1.00 0.00 N ATOM 0 H LYS A 3 -28.530 56.193 34.970 1.00 0.00 H new ATOM 0 HA LYS A 3 -28.226 58.860 33.616 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -28.383 56.347 32.473 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -30.078 56.786 32.529 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -29.592 57.878 30.551 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -29.041 59.153 31.619 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -27.210 58.768 30.102 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -26.725 58.011 31.606 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -26.316 56.497 29.662 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -27.468 55.794 30.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -27.987 55.893 28.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -29.226 56.168 29.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -28.483 57.480 28.581 1.00 0.00 H new ATOM 56 N ARG A 4 -30.161 58.781 35.692 1.00 0.00 N ATOM 57 CA ARG A 4 -31.430 59.212 36.349 1.00 0.00 C ATOM 58 C ARG A 4 -31.585 60.732 36.216 1.00 0.00 C ATOM 59 O ARG A 4 -32.315 61.214 35.370 1.00 0.00 O ATOM 60 CB ARG A 4 -31.396 58.820 37.830 1.00 0.00 C ATOM 61 CG ARG A 4 -32.122 57.487 38.025 1.00 0.00 C ATOM 62 CD ARG A 4 -31.526 56.751 39.226 1.00 0.00 C ATOM 63 NE ARG A 4 -31.791 57.533 40.473 1.00 0.00 N ATOM 64 CZ ARG A 4 -31.638 56.996 41.668 1.00 0.00 C ATOM 65 NH1 ARG A 4 -31.246 55.752 41.818 1.00 0.00 N ATOM 66 NH2 ARG A 4 -31.882 57.719 42.727 1.00 0.00 N ATOM 0 H ARG A 4 -29.334 58.809 36.289 1.00 0.00 H new ATOM 0 HA ARG A 4 -32.276 58.722 35.867 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -30.364 58.737 38.171 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -31.869 59.595 38.433 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -33.186 57.660 38.183 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -32.029 56.875 37.128 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -31.962 55.756 39.309 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -30.453 56.618 39.089 1.00 0.00 H new ATOM 0 HE ARG A 4 -32.097 58.503 40.398 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -31.052 55.176 40.999 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -31.136 55.361 42.754 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -32.187 58.687 42.625 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -31.768 57.316 43.657 1.00 0.00 H new ATOM 80 N LYS A 5 -30.907 61.488 37.045 1.00 0.00 N ATOM 81 CA LYS A 5 -31.015 62.972 36.972 1.00 0.00 C ATOM 82 C LYS A 5 -29.664 63.562 36.556 1.00 0.00 C ATOM 83 O LYS A 5 -28.916 64.065 37.375 1.00 0.00 O ATOM 84 CB LYS A 5 -31.411 63.513 38.347 1.00 0.00 C ATOM 85 CG LYS A 5 -31.654 65.021 38.256 1.00 0.00 C ATOM 86 CD LYS A 5 -33.084 65.281 37.779 1.00 0.00 C ATOM 87 CE LYS A 5 -33.124 66.577 36.966 1.00 0.00 C ATOM 88 NZ LYS A 5 -34.158 66.463 35.899 1.00 0.00 N ATOM 0 H LYS A 5 -30.282 61.136 37.770 1.00 0.00 H new ATOM 0 HA LYS A 5 -31.770 63.251 36.238 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -32.311 63.010 38.701 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -30.624 63.305 39.071 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -31.494 65.485 39.229 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -30.942 65.474 37.566 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -33.433 64.447 37.170 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -33.756 65.355 38.634 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -33.350 67.421 37.618 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -32.148 66.770 36.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -34.185 67.344 35.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -33.923 65.668 35.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -35.088 66.298 36.333 1.00 0.00 H new ATOM 102 N ILE A 6 -29.347 63.502 35.288 1.00 0.00 N ATOM 103 CA ILE A 6 -28.047 64.055 34.808 1.00 0.00 C ATOM 104 C ILE A 6 -28.174 64.461 33.338 1.00 0.00 C ATOM 105 O ILE A 6 -28.900 63.848 32.578 1.00 0.00 O ATOM 106 CB ILE A 6 -26.952 62.994 34.954 1.00 0.00 C ATOM 107 CG1 ILE A 6 -27.368 61.717 34.216 1.00 0.00 C ATOM 108 CG2 ILE A 6 -26.741 62.678 36.436 1.00 0.00 C ATOM 109 CD1 ILE A 6 -26.789 61.733 32.800 1.00 0.00 C ATOM 0 H ILE A 6 -29.935 63.092 34.563 1.00 0.00 H new ATOM 0 HA ILE A 6 -27.785 64.929 35.404 1.00 0.00 H new ATOM 0 HB ILE A 6 -26.024 63.374 34.526 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -27.011 60.840 34.756 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -28.455 61.646 34.175 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -25.962 61.923 36.540 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -26.441 63.584 36.962 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -27.670 62.301 36.864 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -27.085 60.825 32.276 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -27.167 62.602 32.262 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -25.701 61.784 32.852 1.00 0.00 H new ATOM 121 N ASP A 7 -27.469 65.488 32.935 1.00 0.00 N ATOM 122 CA ASP A 7 -27.539 65.940 31.515 1.00 0.00 C ATOM 123 C ASP A 7 -26.484 65.196 30.694 1.00 0.00 C ATOM 124 O ASP A 7 -25.635 64.513 31.235 1.00 0.00 O ATOM 125 CB ASP A 7 -27.273 67.446 31.445 1.00 0.00 C ATOM 126 CG ASP A 7 -28.102 68.059 30.315 1.00 0.00 C ATOM 127 OD1 ASP A 7 -29.262 68.357 30.552 1.00 0.00 O ATOM 128 OD2 ASP A 7 -27.564 68.219 29.232 1.00 0.00 O ATOM 0 H ASP A 7 -26.847 66.033 33.531 1.00 0.00 H new ATOM 0 HA ASP A 7 -28.530 65.728 31.113 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -27.530 67.916 32.395 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -26.213 67.631 31.274 1.00 0.00 H new ATOM 133 N ARG A 8 -26.530 65.327 29.392 1.00 0.00 N ATOM 134 CA ARG A 8 -25.535 64.636 28.524 1.00 0.00 C ATOM 135 C ARG A 8 -25.833 64.950 27.057 1.00 0.00 C ATOM 136 O ARG A 8 -24.934 65.139 26.261 1.00 0.00 O ATOM 137 CB ARG A 8 -25.611 63.121 28.744 1.00 0.00 C ATOM 138 CG ARG A 8 -27.060 62.652 28.585 1.00 0.00 C ATOM 139 CD ARG A 8 -27.156 61.152 28.885 1.00 0.00 C ATOM 140 NE ARG A 8 -28.037 60.483 27.866 1.00 0.00 N ATOM 141 CZ ARG A 8 -29.259 60.904 27.606 1.00 0.00 C ATOM 142 NH1 ARG A 8 -29.850 61.798 28.361 1.00 0.00 N ATOM 143 NH2 ARG A 8 -29.917 60.373 26.613 1.00 0.00 N ATOM 0 H ARG A 8 -27.220 65.888 28.892 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.535 64.986 28.780 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -24.971 62.607 28.027 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -25.243 62.869 29.739 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -27.709 63.210 29.261 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -27.408 62.853 27.572 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.162 60.705 28.869 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -27.560 60.997 29.886 1.00 0.00 H new ATOM 0 HE ARG A 8 -27.676 59.675 27.358 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -29.364 62.184 29.170 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -30.796 62.108 28.139 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -29.485 59.641 26.048 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -30.863 60.689 26.401 1.00 0.00 H new ATOM 157 N ASP A 9 -27.090 65.006 26.697 1.00 0.00 N ATOM 158 CA ASP A 9 -27.460 65.306 25.282 1.00 0.00 C ATOM 159 C ASP A 9 -27.144 66.771 24.958 1.00 0.00 C ATOM 160 O ASP A 9 -26.944 67.128 23.813 1.00 0.00 O ATOM 161 CB ASP A 9 -28.956 65.052 25.084 1.00 0.00 C ATOM 162 CG ASP A 9 -29.270 64.986 23.588 1.00 0.00 C ATOM 163 OD1 ASP A 9 -28.447 64.467 22.852 1.00 0.00 O ATOM 164 OD2 ASP A 9 -30.328 65.457 23.203 1.00 0.00 O ATOM 0 H ASP A 9 -27.879 64.856 27.326 1.00 0.00 H new ATOM 0 HA ASP A 9 -26.886 64.661 24.617 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -29.244 64.119 25.568 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -29.536 65.847 25.553 1.00 0.00 H new ATOM 169 N ALA A 10 -27.105 67.621 25.956 1.00 0.00 N ATOM 170 CA ALA A 10 -26.809 69.064 25.708 1.00 0.00 C ATOM 171 C ALA A 10 -25.422 69.213 25.075 1.00 0.00 C ATOM 172 O ALA A 10 -25.294 69.611 23.934 1.00 0.00 O ATOM 173 CB ALA A 10 -26.846 69.824 27.036 1.00 0.00 C ATOM 0 H ALA A 10 -27.266 67.375 26.933 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.557 69.472 25.028 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -26.630 70.878 26.858 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.835 69.727 27.484 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.099 69.410 27.713 1.00 0.00 H new ATOM 179 N VAL A 11 -24.386 68.903 25.811 1.00 0.00 N ATOM 180 CA VAL A 11 -23.002 69.032 25.261 1.00 0.00 C ATOM 181 C VAL A 11 -22.809 68.036 24.114 1.00 0.00 C ATOM 182 O VAL A 11 -22.079 68.290 23.172 1.00 0.00 O ATOM 183 CB VAL A 11 -21.983 68.736 26.367 1.00 0.00 C ATOM 184 CG1 VAL A 11 -20.577 69.074 25.871 1.00 0.00 C ATOM 185 CG2 VAL A 11 -22.301 69.586 27.601 1.00 0.00 C ATOM 0 H VAL A 11 -24.438 68.565 26.772 1.00 0.00 H new ATOM 0 HA VAL A 11 -22.855 70.046 24.890 1.00 0.00 H new ATOM 0 HB VAL A 11 -22.035 67.679 26.629 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -19.853 68.863 26.658 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.346 68.470 24.994 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -20.529 70.130 25.607 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -21.575 69.374 28.386 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -22.252 70.643 27.338 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -23.303 69.347 27.959 1.00 0.00 H new ATOM 195 N LEU A 12 -23.454 66.902 24.194 1.00 0.00 N ATOM 196 CA LEU A 12 -23.315 65.871 23.122 1.00 0.00 C ATOM 197 C LEU A 12 -23.799 66.429 21.779 1.00 0.00 C ATOM 198 O LEU A 12 -23.424 65.940 20.734 1.00 0.00 O ATOM 199 CB LEU A 12 -24.147 64.639 23.491 1.00 0.00 C ATOM 200 CG LEU A 12 -23.882 63.518 22.483 1.00 0.00 C ATOM 201 CD1 LEU A 12 -23.921 62.166 23.199 1.00 0.00 C ATOM 202 CD2 LEU A 12 -24.956 63.547 21.391 1.00 0.00 C ATOM 0 H LEU A 12 -24.075 66.644 24.961 1.00 0.00 H new ATOM 0 HA LEU A 12 -22.264 65.595 23.031 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -23.893 64.304 24.497 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -25.207 64.893 23.497 1.00 0.00 H new ATOM 0 HG LEU A 12 -22.900 63.662 22.032 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -23.732 61.368 22.481 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -23.156 62.143 23.976 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -24.902 62.022 23.651 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -24.767 62.749 20.673 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -25.938 63.404 21.842 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -24.929 64.509 20.879 1.00 0.00 H new ATOM 214 N ASN A 13 -24.632 67.437 21.793 1.00 0.00 N ATOM 215 CA ASN A 13 -25.136 68.007 20.505 1.00 0.00 C ATOM 216 C ASN A 13 -24.242 69.169 20.066 1.00 0.00 C ATOM 217 O ASN A 13 -23.891 69.293 18.909 1.00 0.00 O ATOM 218 CB ASN A 13 -26.568 68.510 20.698 1.00 0.00 C ATOM 219 CG ASN A 13 -27.507 67.319 20.898 1.00 0.00 C ATOM 220 OD1 ASN A 13 -27.220 66.223 20.459 1.00 0.00 O ATOM 221 ND2 ASN A 13 -28.628 67.489 21.546 1.00 0.00 N ATOM 0 H ASN A 13 -24.985 67.890 22.636 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.120 67.233 19.738 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -26.618 69.174 21.561 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -26.880 69.091 19.830 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -29.262 66.702 21.683 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -28.869 68.409 21.915 1.00 0.00 H new ATOM 228 N MET A 14 -23.886 70.026 20.980 1.00 0.00 N ATOM 229 CA MET A 14 -23.041 71.193 20.649 1.00 0.00 C ATOM 230 C MET A 14 -21.665 70.762 20.109 1.00 0.00 C ATOM 231 O MET A 14 -20.942 71.565 19.570 1.00 0.00 O ATOM 232 CB MET A 14 -22.885 72.020 21.925 1.00 0.00 C ATOM 233 CG MET A 14 -23.541 73.390 21.735 1.00 0.00 C ATOM 234 SD MET A 14 -25.312 73.212 21.342 1.00 0.00 S ATOM 235 CE MET A 14 -25.770 72.098 22.693 1.00 0.00 C ATOM 0 H MET A 14 -24.154 69.960 21.962 1.00 0.00 H new ATOM 0 HA MET A 14 -23.513 71.781 19.861 1.00 0.00 H new ATOM 0 HB2 MET A 14 -23.344 71.500 22.766 1.00 0.00 H new ATOM 0 HB3 MET A 14 -21.829 72.142 22.164 1.00 0.00 H new ATOM 0 HG2 MET A 14 -23.423 73.983 22.642 1.00 0.00 H new ATOM 0 HG3 MET A 14 -23.039 73.931 20.933 1.00 0.00 H new ATOM 0 HE1 MET A 14 -26.700 72.440 23.148 1.00 0.00 H new ATOM 0 HE2 MET A 14 -25.907 71.090 22.303 1.00 0.00 H new ATOM 0 HE3 MET A 14 -24.980 72.092 23.444 1.00 0.00 H new ATOM 245 N TRP A 15 -21.288 69.520 20.260 1.00 0.00 N ATOM 246 CA TRP A 15 -19.952 69.070 19.761 1.00 0.00 C ATOM 247 C TRP A 15 -20.106 68.092 18.609 1.00 0.00 C ATOM 248 O TRP A 15 -19.362 68.114 17.647 1.00 0.00 O ATOM 249 CB TRP A 15 -19.252 68.314 20.873 1.00 0.00 C ATOM 250 CG TRP A 15 -18.626 69.264 21.798 1.00 0.00 C ATOM 251 CD1 TRP A 15 -19.073 69.538 23.019 1.00 0.00 C ATOM 252 CD2 TRP A 15 -17.444 70.055 21.600 1.00 0.00 C ATOM 253 NE1 TRP A 15 -18.246 70.487 23.586 1.00 0.00 N ATOM 254 CE2 TRP A 15 -17.212 70.819 22.752 1.00 0.00 C ATOM 255 CE3 TRP A 15 -16.565 70.173 20.538 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -16.128 71.679 22.847 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -15.474 71.035 20.616 1.00 0.00 C ATOM 258 CH2 TRP A 15 -15.255 71.787 21.772 1.00 0.00 C ATOM 0 H TRP A 15 -21.848 68.795 20.708 1.00 0.00 H new ATOM 0 HA TRP A 15 -19.395 69.950 19.438 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -19.967 67.689 21.407 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -18.497 67.648 20.454 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -19.938 69.093 23.489 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -18.388 70.891 24.512 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -16.726 69.592 19.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -15.965 72.257 23.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -14.796 71.122 19.780 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -14.407 72.453 21.830 1.00 0.00 H new ATOM 269 N GLN A 16 -21.025 67.194 18.752 1.00 0.00 N ATOM 270 CA GLN A 16 -21.220 66.135 17.736 1.00 0.00 C ATOM 271 C GLN A 16 -21.926 66.678 16.484 1.00 0.00 C ATOM 272 O GLN A 16 -22.090 65.967 15.510 1.00 0.00 O ATOM 273 CB GLN A 16 -22.027 65.015 18.392 1.00 0.00 C ATOM 274 CG GLN A 16 -21.329 64.579 19.702 1.00 0.00 C ATOM 275 CD GLN A 16 -20.084 63.757 19.364 1.00 0.00 C ATOM 276 OE1 GLN A 16 -19.172 64.246 18.727 1.00 0.00 O ATOM 277 NE2 GLN A 16 -20.006 62.518 19.767 1.00 0.00 N ATOM 0 H GLN A 16 -21.664 67.146 19.546 1.00 0.00 H new ATOM 0 HA GLN A 16 -20.256 65.756 17.397 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -23.040 65.357 18.603 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -22.112 64.167 17.713 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -21.052 65.455 20.289 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.013 63.990 20.313 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.771 62.107 20.302 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.180 61.961 19.547 1.00 0.00 H new ATOM 286 N GLN A 17 -22.330 67.929 16.487 1.00 0.00 N ATOM 287 CA GLN A 17 -23.001 68.502 15.283 1.00 0.00 C ATOM 288 C GLN A 17 -21.966 69.231 14.418 1.00 0.00 C ATOM 289 O GLN A 17 -22.102 69.309 13.211 1.00 0.00 O ATOM 290 CB GLN A 17 -24.084 69.482 15.728 1.00 0.00 C ATOM 291 CG GLN A 17 -25.146 68.723 16.520 1.00 0.00 C ATOM 292 CD GLN A 17 -26.039 69.716 17.266 1.00 0.00 C ATOM 293 OE1 GLN A 17 -25.593 70.776 17.659 1.00 0.00 O ATOM 294 NE2 GLN A 17 -27.291 69.416 17.480 1.00 0.00 N ATOM 0 H GLN A 17 -22.223 68.573 17.271 1.00 0.00 H new ATOM 0 HA GLN A 17 -23.455 67.701 14.700 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -23.649 70.271 16.342 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -24.534 69.965 14.861 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -25.748 68.112 15.847 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -24.670 68.044 17.228 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -27.666 68.526 17.150 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -27.895 70.071 17.977 1.00 0.00 H new ATOM 303 N GLY A 18 -20.930 69.760 15.025 1.00 0.00 N ATOM 304 CA GLY A 18 -19.879 70.480 14.240 1.00 0.00 C ATOM 305 C GLY A 18 -19.762 71.926 14.730 1.00 0.00 C ATOM 306 O GLY A 18 -20.240 72.846 14.093 1.00 0.00 O ATOM 0 H GLY A 18 -20.768 69.724 16.031 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.921 69.972 14.347 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.131 70.465 13.180 1.00 0.00 H new ATOM 310 N LEU A 19 -19.140 72.130 15.865 1.00 0.00 N ATOM 311 CA LEU A 19 -18.998 73.507 16.415 1.00 0.00 C ATOM 312 C LEU A 19 -17.562 73.743 16.867 1.00 0.00 C ATOM 313 O LEU A 19 -16.690 72.924 16.648 1.00 0.00 O ATOM 314 CB LEU A 19 -19.936 73.638 17.600 1.00 0.00 C ATOM 315 CG LEU A 19 -21.386 73.634 17.104 1.00 0.00 C ATOM 316 CD1 LEU A 19 -21.952 72.212 17.149 1.00 0.00 C ATOM 317 CD2 LEU A 19 -22.225 74.545 17.996 1.00 0.00 C ATOM 0 H LEU A 19 -18.723 71.394 16.435 1.00 0.00 H new ATOM 0 HA LEU A 19 -19.245 74.244 15.651 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -19.776 72.815 18.297 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -19.728 74.560 18.142 1.00 0.00 H new ATOM 0 HG LEU A 19 -21.415 73.995 16.076 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.983 72.219 16.795 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.354 71.562 16.511 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -21.923 71.841 18.174 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -23.258 74.545 17.647 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -22.189 74.182 19.023 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -21.828 75.559 17.956 1.00 0.00 H new ATOM 329 N GLY A 20 -17.313 74.864 17.495 1.00 0.00 N ATOM 330 CA GLY A 20 -15.929 75.163 17.962 1.00 0.00 C ATOM 331 C GLY A 20 -15.935 76.257 19.035 1.00 0.00 C ATOM 332 O GLY A 20 -16.326 77.376 18.783 1.00 0.00 O ATOM 0 H GLY A 20 -18.007 75.582 17.703 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.473 74.258 18.363 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.317 75.480 17.118 1.00 0.00 H new ATOM 336 N ALA A 21 -15.497 75.906 20.228 1.00 0.00 N ATOM 337 CA ALA A 21 -15.413 76.849 21.403 1.00 0.00 C ATOM 338 C ALA A 21 -16.462 77.982 21.375 1.00 0.00 C ATOM 339 O ALA A 21 -17.502 77.887 21.998 1.00 0.00 O ATOM 340 CB ALA A 21 -14.004 77.452 21.445 1.00 0.00 C ATOM 0 H ALA A 21 -15.180 74.961 20.444 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.627 76.265 22.298 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.926 78.137 22.289 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.270 76.654 21.556 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.813 77.995 20.519 1.00 0.00 H new ATOM 346 N SER A 22 -16.178 79.058 20.684 1.00 0.00 N ATOM 347 CA SER A 22 -17.128 80.210 20.638 1.00 0.00 C ATOM 348 C SER A 22 -18.458 79.788 20.013 1.00 0.00 C ATOM 349 O SER A 22 -19.507 79.948 20.605 1.00 0.00 O ATOM 350 CB SER A 22 -16.515 81.337 19.806 1.00 0.00 C ATOM 351 OG SER A 22 -17.500 82.333 19.567 1.00 0.00 O ATOM 0 H SER A 22 -15.321 79.188 20.146 1.00 0.00 H new ATOM 0 HA SER A 22 -17.312 80.552 21.656 1.00 0.00 H new ATOM 0 HB2 SER A 22 -15.663 81.770 20.331 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.141 80.945 18.860 1.00 0.00 H new ATOM 0 HG SER A 22 -17.110 83.058 19.035 1.00 0.00 H new ATOM 357 N HIS A 23 -18.423 79.267 18.816 1.00 0.00 N ATOM 358 CA HIS A 23 -19.683 78.848 18.133 1.00 0.00 C ATOM 359 C HIS A 23 -20.435 77.814 18.979 1.00 0.00 C ATOM 360 O HIS A 23 -21.648 77.708 18.903 1.00 0.00 O ATOM 361 CB HIS A 23 -19.336 78.241 16.773 1.00 0.00 C ATOM 362 CG HIS A 23 -20.596 78.039 15.979 1.00 0.00 C ATOM 363 ND1 HIS A 23 -21.181 79.059 15.245 1.00 0.00 N ATOM 364 CD2 HIS A 23 -21.392 76.939 15.795 1.00 0.00 C ATOM 365 CE1 HIS A 23 -22.282 78.554 14.658 1.00 0.00 C ATOM 366 NE2 HIS A 23 -22.457 77.265 14.960 1.00 0.00 N ATOM 0 H HIS A 23 -17.570 79.112 18.278 1.00 0.00 H new ATOM 0 HA HIS A 23 -20.323 79.720 18.001 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -18.654 78.898 16.233 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -18.822 77.289 16.908 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -21.219 75.966 16.232 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -22.943 79.122 14.020 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -23.209 76.651 14.646 1.00 0.00 H new ATOM 374 N ILE A 24 -19.733 77.053 19.784 1.00 0.00 N ATOM 375 CA ILE A 24 -20.445 76.018 20.631 1.00 0.00 C ATOM 376 C ILE A 24 -21.207 76.737 21.743 1.00 0.00 C ATOM 377 O ILE A 24 -22.299 76.353 22.094 1.00 0.00 O ATOM 378 CB ILE A 24 -19.493 74.982 21.296 1.00 0.00 C ATOM 379 CG1 ILE A 24 -18.126 74.972 20.629 1.00 0.00 C ATOM 380 CG2 ILE A 24 -20.101 73.570 21.176 1.00 0.00 C ATOM 381 CD1 ILE A 24 -17.218 73.939 21.298 1.00 0.00 C ATOM 0 H ILE A 24 -18.720 77.094 19.897 1.00 0.00 H new ATOM 0 HA ILE A 24 -21.103 75.467 19.958 1.00 0.00 H new ATOM 0 HB ILE A 24 -19.374 75.266 22.342 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -18.232 74.741 19.569 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -17.674 75.962 20.696 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -19.433 72.845 21.642 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -21.069 73.547 21.677 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -20.232 73.318 20.124 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.243 73.942 20.811 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -17.098 74.189 22.352 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -17.665 72.949 21.208 1.00 0.00 H new ATOM 393 N SER A 25 -20.626 77.767 22.306 1.00 0.00 N ATOM 394 CA SER A 25 -21.300 78.509 23.414 1.00 0.00 C ATOM 395 C SER A 25 -22.568 79.188 22.895 1.00 0.00 C ATOM 396 O SER A 25 -23.615 79.118 23.511 1.00 0.00 O ATOM 397 CB SER A 25 -20.347 79.568 23.967 1.00 0.00 C ATOM 398 OG SER A 25 -20.077 80.531 22.957 1.00 0.00 O ATOM 0 H SER A 25 -19.708 78.127 22.044 1.00 0.00 H new ATOM 0 HA SER A 25 -21.569 77.807 24.203 1.00 0.00 H new ATOM 0 HB2 SER A 25 -20.789 80.052 24.838 1.00 0.00 H new ATOM 0 HB3 SER A 25 -19.419 79.101 24.298 1.00 0.00 H new ATOM 0 HG SER A 25 -19.565 80.112 22.234 1.00 0.00 H new ATOM 404 N LYS A 26 -22.480 79.848 21.769 1.00 0.00 N ATOM 405 CA LYS A 26 -23.677 80.541 21.202 1.00 0.00 C ATOM 406 C LYS A 26 -24.790 79.523 20.938 1.00 0.00 C ATOM 407 O LYS A 26 -25.961 79.854 20.962 1.00 0.00 O ATOM 408 CB LYS A 26 -23.294 81.227 19.892 1.00 0.00 C ATOM 409 CG LYS A 26 -22.920 82.688 20.164 1.00 0.00 C ATOM 410 CD LYS A 26 -21.402 82.811 20.349 1.00 0.00 C ATOM 411 CE LYS A 26 -21.071 82.960 21.836 1.00 0.00 C ATOM 412 NZ LYS A 26 -19.593 82.925 22.022 1.00 0.00 N ATOM 0 H LYS A 26 -21.628 79.937 21.216 1.00 0.00 H new ATOM 0 HA LYS A 26 -24.033 81.285 21.915 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -22.455 80.707 19.430 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.125 81.179 19.189 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.247 83.317 19.336 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.434 83.044 21.057 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -20.904 81.930 19.943 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -21.028 83.672 19.796 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -21.474 83.898 22.217 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -21.539 82.157 22.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.305 83.693 22.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -19.316 82.011 22.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.124 83.046 21.102 1.00 0.00 H new ATOM 426 N THR A 27 -24.432 78.291 20.677 1.00 0.00 N ATOM 427 CA THR A 27 -25.463 77.250 20.400 1.00 0.00 C ATOM 428 C THR A 27 -26.083 76.750 21.712 1.00 0.00 C ATOM 429 O THR A 27 -27.272 76.501 21.784 1.00 0.00 O ATOM 430 CB THR A 27 -24.807 76.085 19.662 1.00 0.00 C ATOM 431 OG1 THR A 27 -23.915 76.593 18.679 1.00 0.00 O ATOM 432 CG2 THR A 27 -25.886 75.243 18.988 1.00 0.00 C ATOM 0 H THR A 27 -23.467 77.962 20.644 1.00 0.00 H new ATOM 0 HA THR A 27 -26.254 77.681 19.785 1.00 0.00 H new ATOM 0 HB THR A 27 -24.253 75.467 20.369 1.00 0.00 H new ATOM 0 HG1 THR A 27 -23.053 76.800 19.096 1.00 0.00 H new ATOM 0 HG21 THR A 27 -25.421 74.410 18.460 1.00 0.00 H new ATOM 0 HG22 THR A 27 -26.571 74.857 19.743 1.00 0.00 H new ATOM 0 HG23 THR A 27 -26.438 75.859 18.279 1.00 0.00 H new ATOM 440 N MET A 28 -25.292 76.604 22.748 1.00 0.00 N ATOM 441 CA MET A 28 -25.829 76.128 24.048 1.00 0.00 C ATOM 442 C MET A 28 -25.792 77.295 25.052 1.00 0.00 C ATOM 443 O MET A 28 -25.883 78.447 24.670 1.00 0.00 O ATOM 444 CB MET A 28 -24.988 74.931 24.543 1.00 0.00 C ATOM 445 CG MET A 28 -23.567 75.387 24.893 1.00 0.00 C ATOM 446 SD MET A 28 -22.509 73.940 25.141 1.00 0.00 S ATOM 447 CE MET A 28 -21.177 74.446 24.026 1.00 0.00 C ATOM 0 H MET A 28 -24.291 76.797 22.742 1.00 0.00 H new ATOM 0 HA MET A 28 -26.860 75.792 23.940 1.00 0.00 H new ATOM 0 HB2 MET A 28 -25.460 74.484 25.418 1.00 0.00 H new ATOM 0 HB3 MET A 28 -24.951 74.161 23.773 1.00 0.00 H new ATOM 0 HG2 MET A 28 -23.167 76.010 24.093 1.00 0.00 H new ATOM 0 HG3 MET A 28 -23.582 75.998 25.796 1.00 0.00 H new ATOM 0 HE1 MET A 28 -20.323 73.781 24.154 1.00 0.00 H new ATOM 0 HE2 MET A 28 -21.526 74.394 22.995 1.00 0.00 H new ATOM 0 HE3 MET A 28 -20.878 75.468 24.257 1.00 0.00 H new ATOM 457 N ASN A 29 -25.700 77.007 26.325 1.00 0.00 N ATOM 458 CA ASN A 29 -25.705 78.086 27.348 1.00 0.00 C ATOM 459 C ASN A 29 -24.416 78.090 28.204 1.00 0.00 C ATOM 460 O ASN A 29 -24.484 78.197 29.416 1.00 0.00 O ATOM 461 CB ASN A 29 -26.945 77.851 28.218 1.00 0.00 C ATOM 462 CG ASN A 29 -26.734 76.680 29.194 1.00 0.00 C ATOM 463 OD1 ASN A 29 -26.385 75.590 28.786 1.00 0.00 O ATOM 464 ND2 ASN A 29 -26.934 76.866 30.470 1.00 0.00 N ATOM 0 H ASN A 29 -25.621 76.061 26.699 1.00 0.00 H new ATOM 0 HA ASN A 29 -25.736 79.063 26.866 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -27.174 78.757 28.779 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -27.805 77.645 27.580 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -26.797 76.096 31.125 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -27.227 77.781 30.812 1.00 0.00 H new ATOM 471 N ILE A 30 -23.252 77.995 27.601 1.00 0.00 N ATOM 472 CA ILE A 30 -21.991 78.014 28.416 1.00 0.00 C ATOM 473 C ILE A 30 -20.815 78.533 27.580 1.00 0.00 C ATOM 474 O ILE A 30 -20.760 78.344 26.381 1.00 0.00 O ATOM 475 CB ILE A 30 -21.675 76.605 28.934 1.00 0.00 C ATOM 476 CG1 ILE A 30 -21.776 75.588 27.795 1.00 0.00 C ATOM 477 CG2 ILE A 30 -22.672 76.231 30.032 1.00 0.00 C ATOM 478 CD1 ILE A 30 -21.164 74.260 28.247 1.00 0.00 C ATOM 0 H ILE A 30 -23.120 77.906 26.593 1.00 0.00 H new ATOM 0 HA ILE A 30 -22.141 78.683 29.263 1.00 0.00 H new ATOM 0 HB ILE A 30 -20.661 76.595 29.334 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -22.819 75.444 27.512 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -21.255 75.960 26.913 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -22.448 75.230 30.401 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -22.595 76.945 30.852 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -23.684 76.251 29.627 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -21.234 73.533 27.438 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -20.117 74.412 28.508 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -21.705 73.888 29.117 1.00 0.00 H new ATOM 490 N ALA A 31 -19.874 79.191 28.218 1.00 0.00 N ATOM 491 CA ALA A 31 -18.690 79.739 27.485 1.00 0.00 C ATOM 492 C ALA A 31 -17.888 78.594 26.865 1.00 0.00 C ATOM 493 O ALA A 31 -18.192 77.436 27.070 1.00 0.00 O ATOM 494 CB ALA A 31 -17.801 80.512 28.461 1.00 0.00 C ATOM 0 H ALA A 31 -19.877 79.372 29.222 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.034 80.406 26.695 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.938 80.912 27.929 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.369 81.333 28.899 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.461 79.843 29.252 1.00 0.00 H new ATOM 500 N ARG A 32 -16.879 78.910 26.089 1.00 0.00 N ATOM 501 CA ARG A 32 -16.072 77.848 25.432 1.00 0.00 C ATOM 502 C ARG A 32 -15.121 77.166 26.422 1.00 0.00 C ATOM 503 O ARG A 32 -14.962 75.961 26.388 1.00 0.00 O ATOM 504 CB ARG A 32 -15.276 78.471 24.287 1.00 0.00 C ATOM 505 CG ARG A 32 -14.300 79.533 24.815 1.00 0.00 C ATOM 506 CD ARG A 32 -12.944 78.888 25.118 1.00 0.00 C ATOM 507 NE ARG A 32 -11.979 79.225 24.026 1.00 0.00 N ATOM 508 CZ ARG A 32 -10.681 79.038 24.173 1.00 0.00 C ATOM 509 NH1 ARG A 32 -10.178 78.545 25.282 1.00 0.00 N ATOM 510 NH2 ARG A 32 -9.878 79.349 23.193 1.00 0.00 N ATOM 0 H ARG A 32 -16.583 79.864 25.885 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.748 77.083 25.050 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.724 77.695 23.757 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.959 78.924 23.568 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.179 80.327 24.078 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.703 79.994 25.717 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.565 79.244 26.076 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.054 77.807 25.201 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.332 79.608 23.149 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.795 78.297 26.056 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.171 78.410 25.369 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.256 79.732 22.326 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.873 79.209 23.294 1.00 0.00 H new ATOM 524 N SER A 33 -14.484 77.909 27.292 1.00 0.00 N ATOM 525 CA SER A 33 -13.550 77.269 28.263 1.00 0.00 C ATOM 526 C SER A 33 -14.378 76.442 29.246 1.00 0.00 C ATOM 527 O SER A 33 -13.996 75.358 29.644 1.00 0.00 O ATOM 528 CB SER A 33 -12.769 78.346 29.018 1.00 0.00 C ATOM 529 OG SER A 33 -11.595 77.770 29.575 1.00 0.00 O ATOM 0 H SER A 33 -14.570 78.922 27.371 1.00 0.00 H new ATOM 0 HA SER A 33 -12.840 76.630 27.738 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.504 79.160 28.343 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.387 78.775 29.807 1.00 0.00 H new ATOM 0 HG SER A 33 -11.091 78.458 30.058 1.00 0.00 H new ATOM 535 N THR A 34 -15.532 76.943 29.612 1.00 0.00 N ATOM 536 CA THR A 34 -16.433 76.197 30.540 1.00 0.00 C ATOM 537 C THR A 34 -16.867 74.912 29.838 1.00 0.00 C ATOM 538 O THR A 34 -16.983 73.846 30.431 1.00 0.00 O ATOM 539 CB THR A 34 -17.662 77.059 30.834 1.00 0.00 C ATOM 540 OG1 THR A 34 -17.245 78.299 31.389 1.00 0.00 O ATOM 541 CG2 THR A 34 -18.580 76.338 31.824 1.00 0.00 C ATOM 0 H THR A 34 -15.890 77.847 29.303 1.00 0.00 H new ATOM 0 HA THR A 34 -15.924 75.964 31.475 1.00 0.00 H new ATOM 0 HB THR A 34 -18.207 77.237 29.907 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.031 78.854 31.577 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.453 76.958 32.029 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.902 75.388 31.397 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.040 76.154 32.753 1.00 0.00 H new ATOM 549 N VAL A 35 -17.084 75.013 28.554 1.00 0.00 N ATOM 550 CA VAL A 35 -17.481 73.831 27.757 1.00 0.00 C ATOM 551 C VAL A 35 -16.369 72.791 27.868 1.00 0.00 C ATOM 552 O VAL A 35 -16.641 71.620 28.000 1.00 0.00 O ATOM 553 CB VAL A 35 -17.702 74.288 26.295 1.00 0.00 C ATOM 554 CG1 VAL A 35 -17.672 73.120 25.290 1.00 0.00 C ATOM 555 CG2 VAL A 35 -19.069 74.952 26.220 1.00 0.00 C ATOM 0 H VAL A 35 -17.000 75.879 28.022 1.00 0.00 H new ATOM 0 HA VAL A 35 -18.407 73.383 28.118 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.892 74.967 26.027 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.833 73.503 24.282 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.703 72.623 25.339 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -18.459 72.407 25.537 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.256 75.286 25.199 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.837 74.237 26.514 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.095 75.809 26.893 1.00 0.00 H new ATOM 565 N TYR A 36 -15.127 73.215 27.813 1.00 0.00 N ATOM 566 CA TYR A 36 -14.011 72.234 27.901 1.00 0.00 C ATOM 567 C TYR A 36 -13.908 71.656 29.292 1.00 0.00 C ATOM 568 O TYR A 36 -13.368 70.588 29.465 1.00 0.00 O ATOM 569 CB TYR A 36 -12.695 72.856 27.470 1.00 0.00 C ATOM 570 CG TYR A 36 -12.628 72.903 25.960 1.00 0.00 C ATOM 571 CD1 TYR A 36 -13.077 71.821 25.158 1.00 0.00 C ATOM 572 CD2 TYR A 36 -12.105 74.042 25.359 1.00 0.00 C ATOM 573 CE1 TYR A 36 -12.989 71.902 23.773 1.00 0.00 C ATOM 574 CE2 TYR A 36 -12.011 74.124 23.974 1.00 0.00 C ATOM 575 CZ TYR A 36 -12.450 73.057 23.173 1.00 0.00 C ATOM 576 OH TYR A 36 -12.346 73.142 21.799 1.00 0.00 O ATOM 0 H TYR A 36 -14.845 74.190 27.712 1.00 0.00 H new ATOM 0 HA TYR A 36 -14.232 71.418 27.213 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -12.605 73.862 27.880 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.860 72.276 27.863 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -13.486 70.936 25.623 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.770 74.867 25.970 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.333 71.082 23.159 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.600 75.010 23.513 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.954 74.006 21.553 1.00 0.00 H new ATOM 586 N LYS A 37 -14.483 72.289 30.282 1.00 0.00 N ATOM 587 CA LYS A 37 -14.486 71.668 31.633 1.00 0.00 C ATOM 588 C LYS A 37 -15.224 70.331 31.466 1.00 0.00 C ATOM 589 O LYS A 37 -14.886 69.320 32.049 1.00 0.00 O ATOM 590 CB LYS A 37 -15.260 72.548 32.607 1.00 0.00 C ATOM 591 CG LYS A 37 -14.534 73.879 32.794 1.00 0.00 C ATOM 592 CD LYS A 37 -15.417 74.822 33.611 1.00 0.00 C ATOM 593 CE LYS A 37 -14.769 76.207 33.672 1.00 0.00 C ATOM 594 NZ LYS A 37 -13.854 76.275 34.846 1.00 0.00 N ATOM 0 H LYS A 37 -14.944 73.196 30.213 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.475 71.540 32.021 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.268 72.723 32.231 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.362 72.041 33.567 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.583 73.720 33.302 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.307 74.323 31.825 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.407 74.892 33.160 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.553 74.428 34.618 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.215 76.402 32.754 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.537 76.977 33.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.413 77.216 34.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.395 76.107 35.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.114 75.550 34.752 1.00 0.00 H new ATOM 608 N VAL A 38 -16.231 70.358 30.622 1.00 0.00 N ATOM 609 CA VAL A 38 -17.035 69.147 30.318 1.00 0.00 C ATOM 610 C VAL A 38 -16.246 68.151 29.440 1.00 0.00 C ATOM 611 O VAL A 38 -16.092 66.990 29.763 1.00 0.00 O ATOM 612 CB VAL A 38 -18.257 69.565 29.493 1.00 0.00 C ATOM 613 CG1 VAL A 38 -19.206 68.378 29.381 1.00 0.00 C ATOM 614 CG2 VAL A 38 -18.972 70.767 30.129 1.00 0.00 C ATOM 0 H VAL A 38 -16.530 71.196 30.123 1.00 0.00 H new ATOM 0 HA VAL A 38 -17.303 68.681 31.266 1.00 0.00 H new ATOM 0 HB VAL A 38 -17.928 69.870 28.499 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -20.080 68.665 28.796 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.696 67.549 28.890 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.522 68.070 30.378 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -19.835 71.040 29.521 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -19.304 70.503 31.133 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -18.285 71.611 30.184 1.00 0.00 H new ATOM 624 N ILE A 39 -15.812 68.615 28.298 1.00 0.00 N ATOM 625 CA ILE A 39 -15.089 67.756 27.298 1.00 0.00 C ATOM 626 C ILE A 39 -13.914 67.045 27.953 1.00 0.00 C ATOM 627 O ILE A 39 -13.552 65.940 27.595 1.00 0.00 O ATOM 628 CB ILE A 39 -14.603 68.628 26.116 1.00 0.00 C ATOM 629 CG1 ILE A 39 -15.627 69.706 25.734 1.00 0.00 C ATOM 630 CG2 ILE A 39 -14.394 67.756 24.881 1.00 0.00 C ATOM 631 CD1 ILE A 39 -16.973 69.066 25.489 1.00 0.00 C ATOM 0 H ILE A 39 -15.930 69.584 28.003 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.776 66.998 26.922 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.676 69.103 26.439 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.705 70.446 26.531 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.297 70.234 24.840 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.052 68.375 24.052 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.646 66.993 25.097 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.335 67.276 24.611 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -17.697 69.834 25.218 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -16.890 68.343 24.677 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -17.305 68.558 26.395 1.00 0.00 H new ATOM 643 N ASN A 40 -13.344 67.676 28.917 1.00 0.00 N ATOM 644 CA ASN A 40 -12.197 67.083 29.656 1.00 0.00 C ATOM 645 C ASN A 40 -12.718 65.985 30.581 1.00 0.00 C ATOM 646 O ASN A 40 -12.117 64.935 30.716 1.00 0.00 O ATOM 647 CB ASN A 40 -11.531 68.168 30.500 1.00 0.00 C ATOM 648 CG ASN A 40 -10.146 67.695 30.944 1.00 0.00 C ATOM 649 OD1 ASN A 40 -9.148 68.065 30.357 1.00 0.00 O ATOM 650 ND2 ASN A 40 -10.041 66.888 31.963 1.00 0.00 N ATOM 0 H ASN A 40 -13.624 68.602 29.240 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.477 66.667 28.951 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.444 69.089 29.924 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -12.146 68.394 31.371 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.122 66.568 32.267 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.878 66.577 32.456 1.00 0.00 H new ATOM 657 N GLU A 41 -13.836 66.226 31.221 1.00 0.00 N ATOM 658 CA GLU A 41 -14.412 65.206 32.148 1.00 0.00 C ATOM 659 C GLU A 41 -14.725 63.922 31.376 1.00 0.00 C ATOM 660 O GLU A 41 -14.619 62.830 31.903 1.00 0.00 O ATOM 661 CB GLU A 41 -15.698 65.751 32.771 1.00 0.00 C ATOM 662 CG GLU A 41 -15.351 66.842 33.786 1.00 0.00 C ATOM 663 CD GLU A 41 -16.616 67.623 34.152 1.00 0.00 C ATOM 664 OE1 GLU A 41 -17.460 67.786 33.286 1.00 0.00 O ATOM 665 OE2 GLU A 41 -16.718 68.045 35.292 1.00 0.00 O ATOM 0 H GLU A 41 -14.375 67.088 31.140 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.689 64.987 32.934 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -16.348 66.155 31.995 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -16.247 64.946 33.260 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.915 66.396 34.680 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.603 67.516 33.369 1.00 0.00 H new ATOM 672 N SER A 42 -15.109 64.046 30.129 1.00 0.00 N ATOM 673 CA SER A 42 -15.432 62.837 29.308 1.00 0.00 C ATOM 674 C SER A 42 -16.573 62.055 29.966 1.00 0.00 C ATOM 675 O SER A 42 -16.662 60.848 29.839 1.00 0.00 O ATOM 676 CB SER A 42 -14.195 61.942 29.204 1.00 0.00 C ATOM 677 OG SER A 42 -13.046 62.752 28.992 1.00 0.00 O ATOM 0 H SER A 42 -15.213 64.936 29.642 1.00 0.00 H new ATOM 0 HA SER A 42 -15.738 63.152 28.310 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.078 61.356 30.116 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.312 61.234 28.383 1.00 0.00 H new ATOM 0 HG SER A 42 -12.762 63.147 29.843 1.00 0.00 H new ATOM 683 N ASN A 43 -17.444 62.737 30.666 1.00 0.00 N ATOM 684 CA ASN A 43 -18.583 62.042 31.336 1.00 0.00 C ATOM 685 C ASN A 43 -19.670 61.733 30.305 1.00 0.00 C ATOM 686 O ASN A 43 -20.044 60.577 30.197 1.00 0.00 O ATOM 687 CB ASN A 43 -19.158 62.944 32.430 1.00 0.00 C ATOM 688 CG ASN A 43 -19.517 64.307 31.835 1.00 0.00 C ATOM 689 OD1 ASN A 43 -18.690 65.195 31.777 1.00 0.00 O ATOM 690 ND2 ASN A 43 -20.725 64.511 31.385 1.00 0.00 N ATOM 691 OXT ASN A 43 -20.109 62.657 29.641 1.00 0.00 O ATOM 0 H ASN A 43 -17.415 63.747 30.802 1.00 0.00 H new ATOM 0 HA ASN A 43 -18.230 61.112 31.781 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.043 62.483 32.868 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -18.432 63.067 33.233 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.974 65.416 30.985 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -21.420 63.766 31.433 1.00 0.00 H new TER 698 ASN A 43