USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 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 1 MET CE :methyl 141:sc= -0.203 (180deg=-1.36) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -149:sc= 1.07 (180deg=0) USER MOD Set 1.3: A 53 TYR OH : rot 173:sc= 1.13 USER MOD Set 2.1: A 15 ASN :FLIP amide:sc= -2.31 F(o=-13!,f=-5) USER MOD Set 2.2: A 16 GLN :FLIP amide:sc= -2.7 F(o=-12!,f=-5) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.414 (180deg=-0.531) USER MOD Single : A 3 LYS NZ :NH3+ 166:sc= -0.0338 (180deg=-0.263) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.0557 (180deg=-0.293) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= -0.0903 (180deg=-0.0906) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0907 USER MOD Single : A 27 GLN :FLIP amide:sc= -3.4! C(o=-5.7!,f=-3.4!) USER MOD Single : A 28 LYS NZ :NH3+ -102:sc= -5.93! (180deg=-8.57!) USER MOD Single : A 35 LYS NZ :NH3+ -133:sc= -0.443 (180deg=-1.94) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.38! USER MOD Single : A 45 ASN :FLIP amide:sc= -0.143 F(o=-1.3,f=-0.14) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= -0.0448 (180deg=-0.29) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.839 F(o=-6.6!,f=-0.84) USER MOD Single : A 55 THR OG1 : rot 94:sc= 0.0946 USER MOD Single : A 56 GLN : amide:sc= -13.1! C(o=-13!,f=-24!) USER MOD Single : A 60 THR OG1 : rot 17:sc= -1.44! USER MOD Single : A 61 GLN :FLIP amide:sc=-0.00787 F(o=-1.5!,f=-0.0079) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.247 10.021 6.249 1.00 0.00 N ATOM 2 CA MET A 1 -5.875 9.585 5.882 1.00 0.00 C ATOM 3 C MET A 1 -5.429 8.395 6.727 1.00 0.00 C ATOM 4 O MET A 1 -4.287 7.947 6.633 1.00 0.00 O ATOM 5 CB MET A 1 -4.917 10.764 6.083 1.00 0.00 C ATOM 6 CG MET A 1 -5.234 11.961 5.201 1.00 0.00 C ATOM 7 SD MET A 1 -4.094 13.335 5.457 1.00 0.00 S ATOM 8 CE MET A 1 -2.536 12.574 5.011 1.00 0.00 C ATOM 0 H1 MET A 1 -7.550 10.787 5.613 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.902 9.218 6.160 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.251 10.364 7.231 1.00 0.00 H new ATOM 0 HA MET A 1 -5.868 9.268 4.839 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.949 11.074 7.128 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.899 10.433 5.880 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.200 11.656 4.155 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.252 12.296 5.402 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.926 13.290 4.461 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.009 12.267 5.915 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.723 11.701 4.386 1.00 0.00 H new ATOM 20 N ARG A 2 -6.341 7.889 7.552 1.00 0.00 N ATOM 21 CA ARG A 2 -6.044 6.751 8.414 1.00 0.00 C ATOM 22 C ARG A 2 -6.464 5.440 7.754 1.00 0.00 C ATOM 23 O ARG A 2 -7.237 4.665 8.318 1.00 0.00 O ATOM 24 CB ARG A 2 -6.746 6.913 9.765 1.00 0.00 C ATOM 25 CG ARG A 2 -8.252 7.101 9.654 1.00 0.00 C ATOM 26 CD ARG A 2 -8.901 7.256 11.026 1.00 0.00 C ATOM 27 NE ARG A 2 -10.347 7.442 10.932 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.922 8.487 10.342 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.178 9.447 9.808 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.244 8.575 10.292 1.00 0.00 N ATOM 0 H ARG A 2 -7.291 8.249 7.641 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.967 6.719 8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.543 6.035 10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.319 7.770 10.286 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.466 7.982 9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.689 6.246 9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.688 6.373 11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.459 8.109 11.541 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.951 6.730 11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.161 9.386 9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.623 10.246 9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.820 7.842 10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.685 9.376 9.840 1.00 0.00 H new ATOM 44 N LYS A 3 -5.944 5.197 6.555 1.00 0.00 N ATOM 45 CA LYS A 3 -6.261 3.981 5.815 1.00 0.00 C ATOM 46 C LYS A 3 -5.158 2.941 5.991 1.00 0.00 C ATOM 47 O LYS A 3 -4.731 2.305 5.028 1.00 0.00 O ATOM 48 CB LYS A 3 -6.439 4.293 4.332 1.00 0.00 C ATOM 49 CG LYS A 3 -7.750 3.789 3.754 1.00 0.00 C ATOM 50 CD LYS A 3 -8.934 4.557 4.314 1.00 0.00 C ATOM 51 CE LYS A 3 -10.249 4.056 3.738 1.00 0.00 C ATOM 52 NZ LYS A 3 -10.474 2.615 4.041 1.00 0.00 N ATOM 0 H LYS A 3 -5.301 5.827 6.075 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.193 3.577 6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.379 5.372 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.613 3.851 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.732 3.886 2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.864 2.728 3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.951 4.460 5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.819 5.618 4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.071 4.645 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.253 4.205 2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.466 2.370 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.851 2.034 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.263 2.434 5.043 1.00 0.00 H new ATOM 66 N LYS A 4 -4.699 2.790 7.226 1.00 0.00 N ATOM 67 CA LYS A 4 -3.635 1.843 7.550 1.00 0.00 C ATOM 68 C LYS A 4 -4.017 0.405 7.196 1.00 0.00 C ATOM 69 O LYS A 4 -4.414 -0.375 8.063 1.00 0.00 O ATOM 70 CB LYS A 4 -3.262 1.948 9.031 1.00 0.00 C ATOM 71 CG LYS A 4 -4.422 1.690 10.004 1.00 0.00 C ATOM 72 CD LYS A 4 -5.422 2.835 10.014 1.00 0.00 C ATOM 73 CE LYS A 4 -6.568 2.572 10.979 1.00 0.00 C ATOM 74 NZ LYS A 4 -7.306 1.324 10.637 1.00 0.00 N ATOM 0 H LYS A 4 -5.049 3.315 8.028 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.769 2.106 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.463 1.237 9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.861 2.943 9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.930 0.767 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.027 1.545 11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.915 3.759 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.818 2.981 9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.178 2.497 11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.257 3.417 10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.207 1.300 11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.494 1.301 9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.732 0.498 10.902 1.00 0.00 H new ATOM 88 N LEU A 5 -3.875 0.049 5.920 1.00 0.00 N ATOM 89 CA LEU A 5 -4.183 -1.297 5.469 1.00 0.00 C ATOM 90 C LEU A 5 -2.925 -1.990 4.967 1.00 0.00 C ATOM 91 O LEU A 5 -2.532 -1.816 3.814 1.00 0.00 O ATOM 92 CB LEU A 5 -5.234 -1.272 4.356 1.00 0.00 C ATOM 93 CG LEU A 5 -6.647 -0.887 4.799 1.00 0.00 C ATOM 94 CD1 LEU A 5 -7.541 -0.638 3.585 1.00 0.00 C ATOM 95 CD2 LEU A 5 -7.234 -1.977 5.682 1.00 0.00 C ATOM 0 H LEU A 5 -3.549 0.677 5.185 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.584 -1.851 6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.908 -0.571 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.272 -2.258 3.893 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.592 0.036 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.542 -0.365 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.125 0.173 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.595 -1.544 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.240 -1.692 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.277 -2.913 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.607 -2.108 6.564 1.00 0.00 H new ATOM 107 N ASP A 6 -2.297 -2.778 5.836 1.00 0.00 N ATOM 108 CA ASP A 6 -1.085 -3.496 5.463 1.00 0.00 C ATOM 109 C ASP A 6 -1.317 -4.273 4.171 1.00 0.00 C ATOM 110 O ASP A 6 -2.459 -4.554 3.814 1.00 0.00 O ATOM 111 CB ASP A 6 -0.663 -4.451 6.582 1.00 0.00 C ATOM 112 CG ASP A 6 -1.726 -5.486 6.891 1.00 0.00 C ATOM 113 OD1 ASP A 6 -2.848 -5.091 7.272 1.00 0.00 O ATOM 114 OD2 ASP A 6 -1.438 -6.694 6.752 1.00 0.00 O ATOM 0 H ASP A 6 -2.605 -2.934 6.796 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.285 -2.772 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.260 -4.956 6.296 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.446 -3.877 7.483 1.00 0.00 H new ATOM 119 N LEU A 7 -0.244 -4.614 3.463 1.00 0.00 N ATOM 120 CA LEU A 7 -0.376 -5.350 2.214 1.00 0.00 C ATOM 121 C LEU A 7 -0.949 -6.739 2.446 1.00 0.00 C ATOM 122 O LEU A 7 -1.789 -7.202 1.687 1.00 0.00 O ATOM 123 CB LEU A 7 0.973 -5.457 1.494 1.00 0.00 C ATOM 124 CG LEU A 7 1.432 -4.185 0.767 1.00 0.00 C ATOM 125 CD1 LEU A 7 0.436 -3.791 -0.317 1.00 0.00 C ATOM 126 CD2 LEU A 7 1.621 -3.040 1.750 1.00 0.00 C ATOM 0 H LEU A 7 0.716 -4.395 3.730 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.069 -4.793 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.734 -5.733 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.916 -6.269 0.769 1.00 0.00 H new ATOM 0 HG LEU A 7 2.391 -4.397 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.782 -2.887 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.351 -4.599 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.538 -3.605 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.946 -2.149 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.677 -2.835 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.375 -3.314 2.488 1.00 0.00 H new ATOM 138 N LYS A 8 -0.498 -7.408 3.490 1.00 0.00 N ATOM 139 CA LYS A 8 -0.990 -8.747 3.773 1.00 0.00 C ATOM 140 C LYS A 8 -2.513 -8.773 3.781 1.00 0.00 C ATOM 141 O LYS A 8 -3.121 -9.717 3.303 1.00 0.00 O ATOM 142 CB LYS A 8 -0.439 -9.262 5.107 1.00 0.00 C ATOM 143 CG LYS A 8 -1.051 -10.582 5.577 1.00 0.00 C ATOM 144 CD LYS A 8 -0.844 -11.730 4.596 1.00 0.00 C ATOM 145 CE LYS A 8 0.630 -12.052 4.413 1.00 0.00 C ATOM 146 NZ LYS A 8 0.841 -13.149 3.428 1.00 0.00 N ATOM 0 H LYS A 8 0.197 -7.056 4.148 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.639 -9.407 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.640 -9.388 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.608 -8.505 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.616 -10.853 6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.120 -10.441 5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.368 -12.615 4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.282 -11.469 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.158 -11.159 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.061 -12.338 5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.851 -13.396 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.290 -13.983 3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.530 -12.835 2.487 1.00 0.00 H new ATOM 160 N LYS A 9 -3.121 -7.728 4.324 1.00 0.00 N ATOM 161 CA LYS A 9 -4.583 -7.639 4.391 1.00 0.00 C ATOM 162 C LYS A 9 -5.176 -7.026 3.122 1.00 0.00 C ATOM 163 O LYS A 9 -6.162 -7.530 2.585 1.00 0.00 O ATOM 164 CB LYS A 9 -5.008 -6.811 5.617 1.00 0.00 C ATOM 165 CG LYS A 9 -6.454 -6.323 5.598 1.00 0.00 C ATOM 166 CD LYS A 9 -7.443 -7.427 5.946 1.00 0.00 C ATOM 167 CE LYS A 9 -8.029 -8.078 4.706 1.00 0.00 C ATOM 168 NZ LYS A 9 -8.992 -9.163 5.049 1.00 0.00 N ATOM 0 H LYS A 9 -2.631 -6.929 4.725 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.968 -8.655 4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.855 -7.413 6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.350 -5.946 5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.567 -5.501 6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.688 -5.927 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.943 -8.184 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.248 -7.014 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.533 -7.323 4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.224 -8.487 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.369 -9.582 4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.505 -9.897 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.774 -8.769 5.609 1.00 0.00 H new ATOM 182 N PHE A 10 -4.592 -5.927 2.656 1.00 0.00 N ATOM 183 CA PHE A 10 -5.099 -5.248 1.468 1.00 0.00 C ATOM 184 C PHE A 10 -4.948 -6.102 0.208 1.00 0.00 C ATOM 185 O PHE A 10 -5.859 -6.151 -0.619 1.00 0.00 O ATOM 186 CB PHE A 10 -4.419 -3.885 1.292 1.00 0.00 C ATOM 187 CG PHE A 10 -4.842 -3.137 0.045 1.00 0.00 C ATOM 188 CD1 PHE A 10 -6.189 -2.971 -0.259 1.00 0.00 C ATOM 189 CD2 PHE A 10 -3.897 -2.592 -0.821 1.00 0.00 C ATOM 190 CE1 PHE A 10 -6.582 -2.285 -1.391 1.00 0.00 C ATOM 191 CE2 PHE A 10 -4.291 -1.904 -1.954 1.00 0.00 C ATOM 192 CZ PHE A 10 -5.633 -1.751 -2.238 1.00 0.00 C ATOM 0 H PHE A 10 -3.773 -5.490 3.079 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.167 -5.086 1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.636 -3.268 2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.339 -4.031 1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.938 -3.385 0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.845 -2.708 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.632 -2.166 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.548 -1.486 -2.617 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.940 -1.213 -3.123 1.00 0.00 H new ATOM 202 N VAL A 11 -3.812 -6.780 0.062 1.00 0.00 N ATOM 203 CA VAL A 11 -3.594 -7.627 -1.106 1.00 0.00 C ATOM 204 C VAL A 11 -4.425 -8.905 -0.980 1.00 0.00 C ATOM 205 O VAL A 11 -4.958 -9.414 -1.966 1.00 0.00 O ATOM 206 CB VAL A 11 -2.096 -8.023 -1.307 1.00 0.00 C ATOM 207 CG1 VAL A 11 -1.140 -6.902 -0.932 1.00 0.00 C ATOM 208 CG2 VAL A 11 -1.750 -9.260 -0.510 1.00 0.00 C ATOM 0 H VAL A 11 -3.039 -6.760 0.727 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.900 -7.042 -1.973 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.977 -8.226 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.113 -7.231 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.341 -6.029 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.279 -6.641 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.702 -9.513 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.922 -9.070 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.377 -10.090 -0.836 1.00 0.00 H new ATOM 218 N GLU A 12 -4.510 -9.423 0.247 1.00 0.00 N ATOM 219 CA GLU A 12 -5.254 -10.656 0.524 1.00 0.00 C ATOM 220 C GLU A 12 -6.685 -10.614 -0.009 1.00 0.00 C ATOM 221 O GLU A 12 -7.318 -11.660 -0.161 1.00 0.00 O ATOM 222 CB GLU A 12 -5.272 -10.987 2.027 1.00 0.00 C ATOM 223 CG GLU A 12 -4.216 -12.007 2.434 1.00 0.00 C ATOM 224 CD GLU A 12 -4.361 -13.335 1.712 1.00 0.00 C ATOM 225 OE1 GLU A 12 -4.218 -13.360 0.472 1.00 0.00 O ATOM 226 OE2 GLU A 12 -4.615 -14.353 2.391 1.00 0.00 O ATOM 0 H GLU A 12 -4.071 -9.007 1.068 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.721 -11.445 -0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.119 -10.070 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.257 -11.368 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.226 -11.597 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.278 -12.176 3.509 1.00 0.00 H new ATOM 233 N ASP A 13 -7.198 -9.419 -0.296 1.00 0.00 N ATOM 234 CA ASP A 13 -8.558 -9.289 -0.818 1.00 0.00 C ATOM 235 C ASP A 13 -8.757 -10.249 -1.988 1.00 0.00 C ATOM 236 O ASP A 13 -9.804 -10.884 -2.119 1.00 0.00 O ATOM 237 CB ASP A 13 -8.832 -7.849 -1.259 1.00 0.00 C ATOM 238 CG ASP A 13 -10.274 -7.636 -1.683 1.00 0.00 C ATOM 239 OD1 ASP A 13 -11.063 -8.601 -1.621 1.00 0.00 O ATOM 240 OD2 ASP A 13 -10.615 -6.499 -2.073 1.00 0.00 O ATOM 0 H ASP A 13 -6.700 -8.537 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.263 -9.542 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.593 -7.170 -0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.171 -7.594 -2.088 1.00 0.00 H new ATOM 245 N LYS A 14 -7.726 -10.363 -2.816 1.00 0.00 N ATOM 246 CA LYS A 14 -7.743 -11.260 -3.966 1.00 0.00 C ATOM 247 C LYS A 14 -6.371 -11.903 -4.133 1.00 0.00 C ATOM 248 O LYS A 14 -6.249 -13.120 -4.281 1.00 0.00 O ATOM 249 CB LYS A 14 -8.100 -10.509 -5.253 1.00 0.00 C ATOM 250 CG LYS A 14 -9.408 -9.720 -5.179 1.00 0.00 C ATOM 251 CD LYS A 14 -9.900 -9.323 -6.566 1.00 0.00 C ATOM 252 CE LYS A 14 -8.811 -8.642 -7.386 1.00 0.00 C ATOM 253 NZ LYS A 14 -9.360 -7.979 -8.600 1.00 0.00 N ATOM 0 H LYS A 14 -6.857 -9.839 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.501 -12.023 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.289 -9.823 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.168 -11.226 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.169 -10.320 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.261 -8.825 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.250 -10.210 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.754 -8.652 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.301 -7.903 -6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.065 -9.380 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.586 -7.528 -9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.825 -8.688 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.053 -7.257 -8.318 1.00 0.00 H new ATOM 267 N ASN A 15 -5.345 -11.054 -4.106 1.00 0.00 N ATOM 268 CA ASN A 15 -3.957 -11.474 -4.252 1.00 0.00 C ATOM 269 C ASN A 15 -3.070 -10.236 -4.336 1.00 0.00 C ATOM 270 O ASN A 15 -3.578 -9.120 -4.452 1.00 0.00 O ATOM 271 CB ASN A 15 -3.786 -12.326 -5.514 1.00 0.00 C ATOM 272 CG ASN A 15 -2.386 -12.903 -5.645 1.00 0.00 C ATOM 273 OD1 ASN A 15 -1.637 -12.465 -6.657 1.00 0.00 O flip ATOM 274 ND2 ASN A 15 -1.971 -13.729 -4.832 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.457 -10.048 -3.981 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.670 -12.076 -3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.511 -13.140 -5.499 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.008 -11.718 -6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.573 -14.041 -4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.025 -14.101 -4.920 1.00 0.00 H new ATOM 281 N GLN A 16 -1.755 -10.420 -4.287 1.00 0.00 N ATOM 282 CA GLN A 16 -0.841 -9.285 -4.373 1.00 0.00 C ATOM 283 C GLN A 16 -1.047 -8.522 -5.675 1.00 0.00 C ATOM 284 O GLN A 16 -0.543 -7.413 -5.846 1.00 0.00 O ATOM 285 CB GLN A 16 0.623 -9.732 -4.224 1.00 0.00 C ATOM 286 CG GLN A 16 0.906 -11.177 -4.636 1.00 0.00 C ATOM 287 CD GLN A 16 0.910 -11.453 -6.141 1.00 0.00 C ATOM 288 OE1 GLN A 16 0.457 -10.505 -6.956 1.00 0.00 O flip ATOM 289 NE2 GLN A 16 1.304 -12.538 -6.567 1.00 0.00 N flip ATOM 0 H GLN A 16 -1.303 -11.329 -4.190 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.067 -8.613 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.251 -9.071 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.922 -9.602 -3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.875 -11.467 -4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.160 -11.820 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.646 -13.247 -5.918 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.288 -12.729 -7.569 1.00 0.00 H new ATOM 298 N GLU A 17 -1.793 -9.133 -6.591 1.00 0.00 N ATOM 299 CA GLU A 17 -2.076 -8.530 -7.879 1.00 0.00 C ATOM 300 C GLU A 17 -3.062 -7.378 -7.726 1.00 0.00 C ATOM 301 O GLU A 17 -2.878 -6.308 -8.304 1.00 0.00 O ATOM 302 CB GLU A 17 -2.653 -9.582 -8.825 1.00 0.00 C ATOM 303 CG GLU A 17 -2.776 -9.094 -10.252 1.00 0.00 C ATOM 304 CD GLU A 17 -3.434 -10.107 -11.168 1.00 0.00 C ATOM 305 OE1 GLU A 17 -3.797 -11.200 -10.683 1.00 0.00 O ATOM 306 OE2 GLU A 17 -3.585 -9.809 -12.371 1.00 0.00 O ATOM 0 H GLU A 17 -2.213 -10.053 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.146 -8.139 -8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.018 -10.468 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.636 -9.885 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.354 -8.170 -10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.784 -8.855 -10.636 1.00 0.00 H new ATOM 313 N TYR A 18 -4.110 -7.613 -6.942 1.00 0.00 N ATOM 314 CA TYR A 18 -5.139 -6.603 -6.701 1.00 0.00 C ATOM 315 C TYR A 18 -4.551 -5.355 -6.062 1.00 0.00 C ATOM 316 O TYR A 18 -4.776 -4.238 -6.526 1.00 0.00 O ATOM 317 CB TYR A 18 -6.242 -7.162 -5.794 1.00 0.00 C ATOM 318 CG TYR A 18 -7.198 -6.114 -5.256 1.00 0.00 C ATOM 319 CD1 TYR A 18 -7.831 -5.210 -6.104 1.00 0.00 C ATOM 320 CD2 TYR A 18 -7.469 -6.029 -3.893 1.00 0.00 C ATOM 321 CE1 TYR A 18 -8.699 -4.256 -5.610 1.00 0.00 C ATOM 322 CE2 TYR A 18 -8.336 -5.079 -3.396 1.00 0.00 C ATOM 323 CZ TYR A 18 -8.948 -4.195 -4.257 1.00 0.00 C ATOM 324 OH TYR A 18 -9.813 -3.245 -3.763 1.00 0.00 O ATOM 0 H TYR A 18 -4.271 -8.498 -6.460 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.563 -6.335 -7.669 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.812 -7.906 -6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.778 -7.679 -4.954 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.640 -5.255 -7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.992 -6.719 -3.213 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.180 -3.561 -6.282 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.534 -5.028 -2.336 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.880 -3.338 -2.790 1.00 0.00 H new ATOM 334 N ALA A 19 -3.805 -5.559 -4.990 1.00 0.00 N ATOM 335 CA ALA A 19 -3.187 -4.464 -4.271 1.00 0.00 C ATOM 336 C ALA A 19 -2.204 -3.727 -5.165 1.00 0.00 C ATOM 337 O ALA A 19 -2.118 -2.498 -5.138 1.00 0.00 O ATOM 338 CB ALA A 19 -2.499 -5.006 -3.034 1.00 0.00 C ATOM 0 H ALA A 19 -3.613 -6.481 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.952 -3.750 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.032 -4.186 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.233 -5.495 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.736 -5.727 -3.328 1.00 0.00 H new ATOM 344 N ALA A 20 -1.480 -4.489 -5.971 1.00 0.00 N ATOM 345 CA ALA A 20 -0.513 -3.917 -6.899 1.00 0.00 C ATOM 346 C ALA A 20 -1.234 -3.297 -8.090 1.00 0.00 C ATOM 347 O ALA A 20 -0.673 -2.477 -8.818 1.00 0.00 O ATOM 348 CB ALA A 20 0.472 -4.980 -7.363 1.00 0.00 C ATOM 0 H ALA A 20 -1.543 -5.507 -6.002 1.00 0.00 H new ATOM 0 HA ALA A 20 0.046 -3.135 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.187 -4.536 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.004 -5.384 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.068 -5.783 -7.865 1.00 0.00 H new ATOM 354 N ARG A 21 -2.488 -3.697 -8.269 1.00 0.00 N ATOM 355 CA ARG A 21 -3.319 -3.200 -9.348 1.00 0.00 C ATOM 356 C ARG A 21 -3.825 -1.801 -9.034 1.00 0.00 C ATOM 357 O ARG A 21 -3.826 -0.917 -9.892 1.00 0.00 O ATOM 358 CB ARG A 21 -4.503 -4.132 -9.550 1.00 0.00 C ATOM 359 CG ARG A 21 -5.377 -3.715 -10.701 1.00 0.00 C ATOM 360 CD ARG A 21 -6.485 -4.721 -10.958 1.00 0.00 C ATOM 361 NE ARG A 21 -7.490 -4.721 -9.898 1.00 0.00 N ATOM 362 CZ ARG A 21 -8.269 -3.679 -9.618 1.00 0.00 C ATOM 363 NH1 ARG A 21 -8.165 -2.558 -10.320 1.00 0.00 N ATOM 364 NH2 ARG A 21 -9.157 -3.759 -8.637 1.00 0.00 N ATOM 0 H ARG A 21 -2.953 -4.376 -7.667 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.720 -3.160 -10.258 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.138 -5.144 -9.724 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.099 -4.160 -8.638 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.814 -2.738 -10.491 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.769 -3.606 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.965 -4.495 -11.910 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.054 -5.718 -11.047 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.601 -5.568 -9.341 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.486 -2.492 -11.078 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.764 -1.762 -10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.243 -4.620 -8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.754 -2.960 -8.423 1.00 0.00 H new ATOM 378 N ALA A 22 -4.264 -1.615 -7.795 1.00 0.00 N ATOM 379 CA ALA A 22 -4.785 -0.336 -7.349 1.00 0.00 C ATOM 380 C ALA A 22 -3.656 0.657 -7.094 1.00 0.00 C ATOM 381 O ALA A 22 -3.654 1.759 -7.643 1.00 0.00 O ATOM 382 CB ALA A 22 -5.626 -0.534 -6.098 1.00 0.00 C ATOM 0 H ALA A 22 -4.268 -2.342 -7.079 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.415 0.079 -8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.016 0.428 -5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.456 -1.205 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.010 -0.968 -5.310 1.00 0.00 H new ATOM 388 N LEU A 23 -2.691 0.257 -6.270 1.00 0.00 N ATOM 389 CA LEU A 23 -1.551 1.116 -5.961 1.00 0.00 C ATOM 390 C LEU A 23 -0.665 1.286 -7.194 1.00 0.00 C ATOM 391 O LEU A 23 -1.007 0.814 -8.278 1.00 0.00 O ATOM 392 CB LEU A 23 -0.733 0.545 -4.794 1.00 0.00 C ATOM 393 CG LEU A 23 -1.445 0.515 -3.436 1.00 0.00 C ATOM 394 CD1 LEU A 23 -0.481 0.092 -2.316 1.00 0.00 C ATOM 395 CD2 LEU A 23 -2.051 1.891 -3.119 1.00 0.00 C ATOM 0 H LEU A 23 -2.675 -0.651 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.933 2.093 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.432 -0.471 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.180 1.132 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.247 -0.221 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.012 0.079 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.092 -0.904 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.346 0.800 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.553 1.854 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.259 2.639 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.772 2.158 -3.892 1.00 0.00 H new ATOM 407 N GLY A 24 0.467 1.969 -7.032 1.00 0.00 N ATOM 408 CA GLY A 24 1.358 2.185 -8.159 1.00 0.00 C ATOM 409 C GLY A 24 2.700 1.504 -8.005 1.00 0.00 C ATOM 410 O GLY A 24 3.486 1.445 -8.950 1.00 0.00 O ATOM 0 H GLY A 24 0.780 2.373 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.877 1.822 -9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.515 3.256 -8.288 1.00 0.00 H new ATOM 414 N LEU A 25 2.961 0.985 -6.817 1.00 0.00 N ATOM 415 CA LEU A 25 4.224 0.296 -6.543 1.00 0.00 C ATOM 416 C LEU A 25 4.308 -0.984 -7.374 1.00 0.00 C ATOM 417 O LEU A 25 3.289 -1.490 -7.845 1.00 0.00 O ATOM 418 CB LEU A 25 4.361 -0.040 -5.046 1.00 0.00 C ATOM 419 CG LEU A 25 3.528 -1.229 -4.543 1.00 0.00 C ATOM 420 CD1 LEU A 25 3.710 -1.392 -3.035 1.00 0.00 C ATOM 421 CD2 LEU A 25 2.048 -1.048 -4.870 1.00 0.00 C ATOM 0 H LEU A 25 2.321 1.024 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 25 5.042 0.962 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.411 -0.242 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.083 0.842 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 25 3.880 -2.126 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.116 -2.237 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.762 -1.571 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.382 -0.484 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.486 -1.906 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.678 -0.140 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.921 -0.968 -5.950 1.00 0.00 H new ATOM 433 N SER A 26 5.518 -1.509 -7.554 1.00 0.00 N ATOM 434 CA SER A 26 5.704 -2.732 -8.330 1.00 0.00 C ATOM 435 C SER A 26 5.504 -3.959 -7.446 1.00 0.00 C ATOM 436 O SER A 26 5.363 -3.840 -6.230 1.00 0.00 O ATOM 437 CB SER A 26 7.097 -2.762 -8.958 1.00 0.00 C ATOM 438 OG SER A 26 7.221 -3.838 -9.874 1.00 0.00 O ATOM 0 H SER A 26 6.378 -1.110 -7.176 1.00 0.00 H new ATOM 0 HA SER A 26 4.961 -2.747 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.288 -1.820 -9.471 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.850 -2.858 -8.176 1.00 0.00 H new ATOM 0 HG SER A 26 8.120 -3.834 -10.263 1.00 0.00 H new ATOM 444 N GLN A 27 5.493 -5.137 -8.062 1.00 0.00 N ATOM 445 CA GLN A 27 5.309 -6.378 -7.321 1.00 0.00 C ATOM 446 C GLN A 27 6.480 -6.643 -6.383 1.00 0.00 C ATOM 447 O GLN A 27 6.326 -7.323 -5.369 1.00 0.00 O ATOM 448 CB GLN A 27 5.113 -7.556 -8.272 1.00 0.00 C ATOM 449 CG GLN A 27 3.743 -7.577 -8.938 1.00 0.00 C ATOM 450 CD GLN A 27 2.567 -7.622 -7.964 1.00 0.00 C ATOM 451 OE1 GLN A 27 2.838 -7.605 -6.657 1.00 0.00 O flip ATOM 452 NE2 GLN A 27 1.413 -7.671 -8.389 1.00 0.00 N flip ATOM 0 H GLN A 27 5.609 -5.257 -9.068 1.00 0.00 H new ATOM 0 HA GLN A 27 4.409 -6.268 -6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.883 -7.522 -9.043 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.255 -8.486 -7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.645 -6.692 -9.566 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.686 -8.443 -9.597 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.240 -7.683 -9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.630 -7.700 -7.736 1.00 0.00 H new ATOM 461 N LYS A 28 7.647 -6.100 -6.716 1.00 0.00 N ATOM 462 CA LYS A 28 8.824 -6.288 -5.876 1.00 0.00 C ATOM 463 C LYS A 28 8.754 -5.369 -4.665 1.00 0.00 C ATOM 464 O LYS A 28 9.306 -5.679 -3.621 1.00 0.00 O ATOM 465 CB LYS A 28 10.114 -6.012 -6.651 1.00 0.00 C ATOM 466 CG LYS A 28 10.133 -6.584 -8.063 1.00 0.00 C ATOM 467 CD LYS A 28 10.279 -8.102 -8.084 1.00 0.00 C ATOM 468 CE LYS A 28 11.659 -8.554 -7.621 1.00 0.00 C ATOM 469 NZ LYS A 28 11.914 -8.232 -6.190 1.00 0.00 N ATOM 0 H LYS A 28 7.802 -5.534 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 28 8.835 -7.328 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.267 -4.934 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.954 -6.425 -6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.212 -6.305 -8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.956 -6.137 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.519 -8.547 -7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.098 -8.469 -9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.755 -9.629 -7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.420 -8.077 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.523 -7.391 -6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.011 -8.042 -5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.387 -9.037 -5.732 1.00 0.00 H new ATOM 483 N LEU A 29 8.053 -4.247 -4.794 1.00 0.00 N ATOM 484 CA LEU A 29 7.910 -3.335 -3.668 1.00 0.00 C ATOM 485 C LEU A 29 6.908 -3.929 -2.699 1.00 0.00 C ATOM 486 O LEU A 29 7.031 -3.779 -1.485 1.00 0.00 O ATOM 487 CB LEU A 29 7.440 -1.941 -4.111 1.00 0.00 C ATOM 488 CG LEU A 29 8.410 -1.115 -4.975 1.00 0.00 C ATOM 489 CD1 LEU A 29 9.717 -0.842 -4.231 1.00 0.00 C ATOM 490 CD2 LEU A 29 8.693 -1.815 -6.297 1.00 0.00 C ATOM 0 H LEU A 29 7.584 -3.952 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 29 8.884 -3.211 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.509 -2.059 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.207 -1.363 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 29 7.930 -0.159 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.382 -0.257 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.506 -0.286 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.196 -1.788 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.381 -1.211 -6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.140 -2.790 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.761 -1.946 -6.846 1.00 0.00 H new ATOM 502 N ILE A 30 5.931 -4.633 -3.255 1.00 0.00 N ATOM 503 CA ILE A 30 4.921 -5.283 -2.466 1.00 0.00 C ATOM 504 C ILE A 30 5.517 -6.449 -1.711 1.00 0.00 C ATOM 505 O ILE A 30 5.440 -6.507 -0.489 1.00 0.00 O ATOM 506 CB ILE A 30 3.774 -5.779 -3.352 1.00 0.00 C ATOM 507 CG1 ILE A 30 2.759 -4.655 -3.571 1.00 0.00 C ATOM 508 CG2 ILE A 30 3.134 -7.009 -2.744 1.00 0.00 C ATOM 509 CD1 ILE A 30 1.478 -5.112 -4.217 1.00 0.00 C ATOM 0 H ILE A 30 5.826 -4.763 -4.261 1.00 0.00 H new ATOM 0 HA ILE A 30 4.527 -4.556 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 30 4.167 -6.066 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.527 -4.195 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.213 -3.883 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.321 -7.350 -3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.879 -7.799 -2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.741 -6.764 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.809 -4.261 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.697 -5.545 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.000 -5.862 -3.587 1.00 0.00 H new ATOM 521 N GLU A 31 6.124 -7.366 -2.449 1.00 0.00 N ATOM 522 CA GLU A 31 6.756 -8.522 -1.845 1.00 0.00 C ATOM 523 C GLU A 31 7.521 -8.077 -0.610 1.00 0.00 C ATOM 524 O GLU A 31 7.549 -8.759 0.410 1.00 0.00 O ATOM 525 CB GLU A 31 7.701 -9.173 -2.837 1.00 0.00 C ATOM 526 CG GLU A 31 8.817 -8.277 -3.237 1.00 0.00 C ATOM 527 CD GLU A 31 9.886 -8.980 -4.049 1.00 0.00 C ATOM 528 OE1 GLU A 31 9.557 -9.502 -5.136 1.00 0.00 O ATOM 529 OE2 GLU A 31 11.051 -9.009 -3.600 1.00 0.00 O ATOM 0 H GLU A 31 6.191 -7.329 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 31 5.996 -9.250 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.110 -10.083 -2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.142 -9.469 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.417 -7.446 -3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.271 -7.851 -2.342 1.00 0.00 H new ATOM 536 N GLU A 32 8.117 -6.898 -0.731 1.00 0.00 N ATOM 537 CA GLU A 32 8.880 -6.290 0.359 1.00 0.00 C ATOM 538 C GLU A 32 7.987 -6.027 1.565 1.00 0.00 C ATOM 539 O GLU A 32 8.121 -6.665 2.605 1.00 0.00 O ATOM 540 CB GLU A 32 9.501 -4.957 -0.083 1.00 0.00 C ATOM 541 CG GLU A 32 10.539 -5.072 -1.182 1.00 0.00 C ATOM 542 CD GLU A 32 11.299 -3.779 -1.400 1.00 0.00 C ATOM 543 OE1 GLU A 32 11.952 -3.304 -0.447 1.00 0.00 O ATOM 544 OE2 GLU A 32 11.241 -3.240 -2.526 1.00 0.00 O ATOM 0 H GLU A 32 8.088 -6.336 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 32 9.669 -6.991 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.704 -4.296 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.961 -4.482 0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.243 -5.866 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.049 -5.363 -2.111 1.00 0.00 H new ATOM 551 N VAL A 33 7.091 -5.059 1.414 1.00 0.00 N ATOM 552 CA VAL A 33 6.181 -4.667 2.484 1.00 0.00 C ATOM 553 C VAL A 33 5.388 -5.858 3.017 1.00 0.00 C ATOM 554 O VAL A 33 5.234 -6.026 4.227 1.00 0.00 O ATOM 555 CB VAL A 33 5.193 -3.591 1.999 1.00 0.00 C ATOM 556 CG1 VAL A 33 4.592 -2.848 3.182 1.00 0.00 C ATOM 557 CG2 VAL A 33 5.873 -2.633 1.032 1.00 0.00 C ATOM 0 H VAL A 33 6.975 -4.526 0.552 1.00 0.00 H new ATOM 0 HA VAL A 33 6.798 -4.265 3.288 1.00 0.00 H new ATOM 0 HB VAL A 33 4.381 -4.082 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.896 -2.091 2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.062 -3.552 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.387 -2.367 3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.157 -1.881 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.709 -2.144 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.241 -3.188 0.169 1.00 0.00 H new ATOM 567 N LEU A 34 4.877 -6.672 2.102 1.00 0.00 N ATOM 568 CA LEU A 34 4.089 -7.837 2.448 1.00 0.00 C ATOM 569 C LEU A 34 4.892 -8.853 3.267 1.00 0.00 C ATOM 570 O LEU A 34 4.367 -9.449 4.207 1.00 0.00 O ATOM 571 CB LEU A 34 3.560 -8.479 1.163 1.00 0.00 C ATOM 572 CG LEU A 34 3.007 -9.877 1.325 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.802 -9.865 2.248 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.653 -10.473 -0.028 1.00 0.00 C ATOM 0 H LEU A 34 5.000 -6.538 1.098 1.00 0.00 H new ATOM 0 HA LEU A 34 3.257 -7.517 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.778 -7.841 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.367 -8.507 0.430 1.00 0.00 H new ATOM 0 HG LEU A 34 3.775 -10.505 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.415 -10.878 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.097 -9.484 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.028 -9.224 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.257 -11.479 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.902 -9.851 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.546 -10.517 -0.651 1.00 0.00 H new ATOM 586 N LYS A 35 6.157 -9.055 2.905 1.00 0.00 N ATOM 587 CA LYS A 35 7.009 -10.009 3.610 1.00 0.00 C ATOM 588 C LYS A 35 7.564 -9.409 4.899 1.00 0.00 C ATOM 589 O LYS A 35 7.863 -10.128 5.853 1.00 0.00 O ATOM 590 CB LYS A 35 8.178 -10.434 2.725 1.00 0.00 C ATOM 591 CG LYS A 35 9.280 -9.398 2.658 1.00 0.00 C ATOM 592 CD LYS A 35 10.452 -9.846 1.803 1.00 0.00 C ATOM 593 CE LYS A 35 11.636 -8.902 1.954 1.00 0.00 C ATOM 594 NZ LYS A 35 12.208 -8.945 3.328 1.00 0.00 N ATOM 0 H LYS A 35 6.613 -8.573 2.131 1.00 0.00 H new ATOM 0 HA LYS A 35 6.394 -10.874 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.590 -11.370 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.811 -10.631 1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.876 -8.469 2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.632 -9.182 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.749 -10.855 2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.148 -9.888 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.407 -9.168 1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.321 -7.884 1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.354 -7.975 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.551 -9.443 3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.119 -9.447 3.309 1.00 0.00 H new ATOM 608 N ARG A 36 7.730 -8.091 4.904 1.00 0.00 N ATOM 609 CA ARG A 36 8.286 -7.393 6.053 1.00 0.00 C ATOM 610 C ARG A 36 7.192 -6.889 6.990 1.00 0.00 C ATOM 611 O ARG A 36 7.481 -6.325 8.047 1.00 0.00 O ATOM 612 CB ARG A 36 9.153 -6.237 5.573 1.00 0.00 C ATOM 613 CG ARG A 36 10.240 -6.694 4.631 1.00 0.00 C ATOM 614 CD ARG A 36 11.132 -5.558 4.198 1.00 0.00 C ATOM 615 NE ARG A 36 10.391 -4.503 3.512 1.00 0.00 N ATOM 616 CZ ARG A 36 10.957 -3.404 3.023 1.00 0.00 C ATOM 617 NH1 ARG A 36 12.264 -3.213 3.147 1.00 0.00 N ATOM 618 NH2 ARG A 36 10.215 -2.492 2.408 1.00 0.00 N ATOM 0 H ARG A 36 7.486 -7.484 4.121 1.00 0.00 H new ATOM 0 HA ARG A 36 8.897 -8.096 6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.527 -5.499 5.072 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.604 -5.742 6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.842 -7.461 5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.788 -7.154 3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.633 -5.139 5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.910 -5.941 3.538 1.00 0.00 H new ATOM 0 HE ARG A 36 9.383 -4.616 3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.839 -3.911 3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.694 -2.368 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.210 -2.634 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.650 -1.649 2.033 1.00 0.00 H new ATOM 632 N GLY A 37 5.937 -7.095 6.598 1.00 0.00 N ATOM 633 CA GLY A 37 4.818 -6.657 7.412 1.00 0.00 C ATOM 634 C GLY A 37 4.944 -5.212 7.849 1.00 0.00 C ATOM 635 O GLY A 37 4.799 -4.901 9.032 1.00 0.00 O ATOM 0 H GLY A 37 5.676 -7.559 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.893 -6.783 6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.744 -7.294 8.293 1.00 0.00 H new ATOM 639 N LEU A 38 5.215 -4.322 6.897 1.00 0.00 N ATOM 640 CA LEU A 38 5.359 -2.906 7.204 1.00 0.00 C ATOM 641 C LEU A 38 3.997 -2.209 7.161 1.00 0.00 C ATOM 642 O LEU A 38 3.136 -2.574 6.363 1.00 0.00 O ATOM 643 CB LEU A 38 6.310 -2.234 6.203 1.00 0.00 C ATOM 644 CG LEU A 38 7.670 -2.918 5.982 1.00 0.00 C ATOM 645 CD1 LEU A 38 8.482 -2.105 4.997 1.00 0.00 C ATOM 646 CD2 LEU A 38 8.452 -3.106 7.277 1.00 0.00 C ATOM 0 H LEU A 38 5.338 -4.557 5.912 1.00 0.00 H new ATOM 0 HA LEU A 38 5.775 -2.816 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.801 -2.168 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.492 -1.213 6.538 1.00 0.00 H new ATOM 0 HG LEU A 38 7.478 -3.915 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.447 -2.586 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.947 -2.041 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.638 -1.102 5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.403 -3.593 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.638 -2.134 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.875 -3.725 7.964 1.00 0.00 H new ATOM 658 N PRO A 39 3.781 -1.192 8.020 1.00 0.00 N ATOM 659 CA PRO A 39 2.512 -0.457 8.062 1.00 0.00 C ATOM 660 C PRO A 39 2.393 0.575 6.945 1.00 0.00 C ATOM 661 O PRO A 39 3.241 1.458 6.813 1.00 0.00 O ATOM 662 CB PRO A 39 2.570 0.244 9.418 1.00 0.00 C ATOM 663 CG PRO A 39 4.020 0.507 9.625 1.00 0.00 C ATOM 664 CD PRO A 39 4.744 -0.675 9.019 1.00 0.00 C ATOM 0 HA PRO A 39 1.654 -1.117 7.930 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.993 1.169 9.414 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.161 -0.384 10.210 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.321 1.438 9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.252 0.606 10.685 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.683 -0.376 8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.986 -1.427 9.771 1.00 0.00 H new ATOM 672 N VAL A 40 1.333 0.468 6.150 1.00 0.00 N ATOM 673 CA VAL A 40 1.104 1.406 5.056 1.00 0.00 C ATOM 674 C VAL A 40 -0.333 1.926 5.087 1.00 0.00 C ATOM 675 O VAL A 40 -1.206 1.303 5.691 1.00 0.00 O ATOM 676 CB VAL A 40 1.386 0.767 3.684 1.00 0.00 C ATOM 677 CG1 VAL A 40 2.800 0.188 3.644 1.00 0.00 C ATOM 678 CG2 VAL A 40 0.355 -0.303 3.364 1.00 0.00 C ATOM 0 H VAL A 40 0.621 -0.256 6.242 1.00 0.00 H new ATOM 0 HA VAL A 40 1.797 2.235 5.196 1.00 0.00 H new ATOM 0 HB VAL A 40 1.312 1.544 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.982 -0.260 2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.524 0.984 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.903 -0.573 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.575 -0.740 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.389 -1.081 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.639 0.144 3.345 1.00 0.00 H new ATOM 688 N TYR A 41 -0.580 3.071 4.447 1.00 0.00 N ATOM 689 CA TYR A 41 -1.920 3.656 4.426 1.00 0.00 C ATOM 690 C TYR A 41 -2.333 4.021 3.003 1.00 0.00 C ATOM 691 O TYR A 41 -1.909 5.049 2.475 1.00 0.00 O ATOM 692 CB TYR A 41 -1.984 4.923 5.304 1.00 0.00 C ATOM 693 CG TYR A 41 -1.670 4.734 6.782 1.00 0.00 C ATOM 694 CD1 TYR A 41 -0.536 4.043 7.194 1.00 0.00 C ATOM 695 CD2 TYR A 41 -2.493 5.279 7.770 1.00 0.00 C ATOM 696 CE1 TYR A 41 -0.235 3.892 8.535 1.00 0.00 C ATOM 697 CE2 TYR A 41 -2.192 5.135 9.108 1.00 0.00 C ATOM 698 CZ TYR A 41 -1.065 4.440 9.486 1.00 0.00 C ATOM 699 OH TYR A 41 -0.765 4.296 10.822 1.00 0.00 O ATOM 0 H TYR A 41 0.125 3.607 3.941 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.606 2.907 4.822 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.288 5.657 4.897 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.984 5.349 5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.123 3.616 6.452 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.380 5.823 7.481 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.648 3.346 8.835 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.839 5.566 9.858 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.451 4.742 11.361 1.00 0.00 H new ATOM 709 N VAL A 42 -3.173 3.193 2.385 1.00 0.00 N ATOM 710 CA VAL A 42 -3.636 3.473 1.025 1.00 0.00 C ATOM 711 C VAL A 42 -4.906 4.328 1.056 1.00 0.00 C ATOM 712 O VAL A 42 -5.979 3.867 1.439 1.00 0.00 O ATOM 713 CB VAL A 42 -3.880 2.184 0.180 1.00 0.00 C ATOM 714 CG1 VAL A 42 -2.622 1.323 0.089 1.00 0.00 C ATOM 715 CG2 VAL A 42 -5.039 1.359 0.731 1.00 0.00 C ATOM 0 H VAL A 42 -3.543 2.335 2.795 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.833 4.024 0.536 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.143 2.516 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.831 0.435 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.823 1.895 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.313 1.023 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.178 0.470 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.818 1.060 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.951 1.956 0.716 1.00 0.00 H new ATOM 725 N GLU A 43 -4.763 5.588 0.657 1.00 0.00 N ATOM 726 CA GLU A 43 -5.886 6.539 0.640 1.00 0.00 C ATOM 727 C GLU A 43 -6.377 6.803 -0.786 1.00 0.00 C ATOM 728 O GLU A 43 -5.804 7.625 -1.502 1.00 0.00 O ATOM 729 CB GLU A 43 -5.451 7.850 1.293 1.00 0.00 C ATOM 730 CG GLU A 43 -6.448 8.986 1.135 1.00 0.00 C ATOM 731 CD GLU A 43 -7.803 8.664 1.735 1.00 0.00 C ATOM 732 OE1 GLU A 43 -7.867 8.405 2.955 1.00 0.00 O ATOM 733 OE2 GLU A 43 -8.801 8.670 0.983 1.00 0.00 O ATOM 0 H GLU A 43 -3.878 5.982 0.338 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.713 6.102 1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.282 7.675 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.497 8.157 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.049 9.883 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.569 9.213 0.076 1.00 0.00 H new ATOM 740 N THR A 44 -7.420 6.081 -1.207 1.00 0.00 N ATOM 741 CA THR A 44 -7.954 6.224 -2.561 1.00 0.00 C ATOM 742 C THR A 44 -8.649 7.566 -2.753 1.00 0.00 C ATOM 743 O THR A 44 -9.120 8.178 -1.793 1.00 0.00 O ATOM 744 CB THR A 44 -8.920 5.079 -2.877 1.00 0.00 C ATOM 745 OG1 THR A 44 -8.706 3.986 -2.002 1.00 0.00 O ATOM 746 CG2 THR A 44 -8.778 4.553 -4.293 1.00 0.00 C ATOM 0 H THR A 44 -7.908 5.395 -0.631 1.00 0.00 H new ATOM 0 HA THR A 44 -7.112 6.183 -3.253 1.00 0.00 H new ATOM 0 HB THR A 44 -9.917 5.501 -2.753 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.334 3.266 -2.219 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.490 3.743 -4.454 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.977 5.357 -5.001 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.765 4.180 -4.443 1.00 0.00 H new ATOM 754 N ASN A 45 -8.705 8.019 -4.003 1.00 0.00 N ATOM 755 CA ASN A 45 -9.336 9.289 -4.331 1.00 0.00 C ATOM 756 C ASN A 45 -10.767 9.075 -4.825 1.00 0.00 C ATOM 757 O ASN A 45 -11.709 9.074 -4.033 1.00 0.00 O ATOM 758 CB ASN A 45 -8.513 10.025 -5.393 1.00 0.00 C ATOM 759 CG ASN A 45 -7.085 10.284 -4.937 1.00 0.00 C ATOM 760 OD1 ASN A 45 -6.112 9.646 -5.589 1.00 0.00 O flip ATOM 761 ND2 ASN A 45 -6.857 11.044 -3.996 1.00 0.00 N flip ATOM 0 H ASN A 45 -8.319 7.522 -4.806 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.376 9.897 -3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.498 9.437 -6.311 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.994 10.974 -5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.628 11.514 -3.522 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.897 11.204 -3.690 1.00 0.00 H new ATOM 768 N LYS A 46 -10.923 8.893 -6.136 1.00 0.00 N ATOM 769 CA LYS A 46 -12.244 8.681 -6.726 1.00 0.00 C ATOM 770 C LYS A 46 -12.165 7.778 -7.954 1.00 0.00 C ATOM 771 O LYS A 46 -12.651 6.647 -7.940 1.00 0.00 O ATOM 772 CB LYS A 46 -12.876 10.020 -7.117 1.00 0.00 C ATOM 773 CG LYS A 46 -13.082 10.973 -5.948 1.00 0.00 C ATOM 774 CD LYS A 46 -13.696 12.292 -6.398 1.00 0.00 C ATOM 775 CE LYS A 46 -15.086 12.096 -6.982 1.00 0.00 C ATOM 776 NZ LYS A 46 -16.019 11.476 -6.002 1.00 0.00 N ATOM 0 H LYS A 46 -10.155 8.888 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.865 8.192 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.244 10.505 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.839 9.831 -7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.729 10.505 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.126 11.164 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.751 12.976 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.051 12.758 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.484 13.059 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.021 11.466 -7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.997 11.574 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.790 10.467 -5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.924 11.952 -5.083 1.00 0.00 H new ATOM 790 N ASP A 47 -11.562 8.295 -9.021 1.00 0.00 N ATOM 791 CA ASP A 47 -11.427 7.553 -10.272 1.00 0.00 C ATOM 792 C ASP A 47 -10.750 6.200 -10.059 1.00 0.00 C ATOM 793 O ASP A 47 -10.905 5.288 -10.870 1.00 0.00 O ATOM 794 CB ASP A 47 -10.632 8.377 -11.288 1.00 0.00 C ATOM 795 CG ASP A 47 -11.295 9.703 -11.608 1.00 0.00 C ATOM 796 OD1 ASP A 47 -12.376 9.979 -11.048 1.00 0.00 O ATOM 797 OD2 ASP A 47 -10.732 10.465 -12.423 1.00 0.00 O ATOM 0 H ASP A 47 -11.157 9.231 -9.044 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.431 7.368 -10.655 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.631 8.560 -10.898 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.516 7.802 -12.206 1.00 0.00 H new ATOM 802 N GLY A 48 -10.000 6.078 -8.970 1.00 0.00 N ATOM 803 CA GLY A 48 -9.314 4.833 -8.680 1.00 0.00 C ATOM 804 C GLY A 48 -7.887 5.056 -8.225 1.00 0.00 C ATOM 805 O GLY A 48 -7.268 4.171 -7.634 1.00 0.00 O ATOM 0 H GLY A 48 -9.855 6.818 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.859 4.292 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.315 4.204 -9.570 1.00 0.00 H new ATOM 809 N ASN A 49 -7.369 6.250 -8.492 1.00 0.00 N ATOM 810 CA ASN A 49 -6.014 6.606 -8.101 1.00 0.00 C ATOM 811 C ASN A 49 -5.916 6.643 -6.584 1.00 0.00 C ATOM 812 O ASN A 49 -6.848 7.084 -5.912 1.00 0.00 O ATOM 813 CB ASN A 49 -5.642 7.975 -8.681 1.00 0.00 C ATOM 814 CG ASN A 49 -4.192 8.348 -8.449 1.00 0.00 C ATOM 815 OD1 ASN A 49 -3.421 7.419 -7.903 1.00 0.00 O flip ATOM 816 ND2 ASN A 49 -3.766 9.457 -8.772 1.00 0.00 N flip ATOM 0 H ASN A 49 -7.872 6.990 -8.981 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.321 5.860 -8.490 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.843 7.975 -9.752 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.282 8.737 -8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.395 10.143 -9.190 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.784 9.690 -8.622 1.00 0.00 H new ATOM 823 N ILE A 50 -4.801 6.177 -6.038 1.00 0.00 N ATOM 824 CA ILE A 50 -4.625 6.166 -4.618 1.00 0.00 C ATOM 825 C ILE A 50 -3.167 6.364 -4.218 1.00 0.00 C ATOM 826 O ILE A 50 -2.253 6.141 -5.011 1.00 0.00 O ATOM 827 CB ILE A 50 -5.158 4.859 -4.009 1.00 0.00 C ATOM 828 CG1 ILE A 50 -4.966 4.874 -2.518 1.00 0.00 C ATOM 829 CG2 ILE A 50 -4.451 3.654 -4.585 1.00 0.00 C ATOM 830 CD1 ILE A 50 -5.766 3.823 -1.786 1.00 0.00 C ATOM 0 H ILE A 50 -4.013 5.805 -6.568 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.198 7.006 -4.225 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.219 4.788 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.908 4.731 -2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.241 5.857 -2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.852 2.747 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.607 3.622 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.384 3.723 -4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.573 3.899 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.828 3.977 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.475 2.833 -2.138 1.00 0.00 H new ATOM 842 N LYS A 51 -2.968 6.784 -2.972 1.00 0.00 N ATOM 843 CA LYS A 51 -1.640 7.015 -2.436 1.00 0.00 C ATOM 844 C LYS A 51 -1.323 5.953 -1.389 1.00 0.00 C ATOM 845 O LYS A 51 -2.235 5.370 -0.805 1.00 0.00 O ATOM 846 CB LYS A 51 -1.578 8.410 -1.804 1.00 0.00 C ATOM 847 CG LYS A 51 -2.063 9.514 -2.735 1.00 0.00 C ATOM 848 CD LYS A 51 -2.160 10.854 -2.016 1.00 0.00 C ATOM 849 CE LYS A 51 -0.783 11.364 -1.587 1.00 0.00 C ATOM 850 NZ LYS A 51 -0.860 12.717 -0.974 1.00 0.00 N ATOM 0 H LYS A 51 -3.722 6.972 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.906 6.955 -3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.182 8.418 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.551 8.621 -1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.381 9.603 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.039 9.246 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.632 11.586 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.800 10.752 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.343 10.667 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.121 11.394 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.018 13.238 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.667 13.235 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.985 12.626 0.054 1.00 0.00 H new ATOM 864 N VAL A 52 -0.043 5.700 -1.143 1.00 0.00 N ATOM 865 CA VAL A 52 0.345 4.703 -0.153 1.00 0.00 C ATOM 866 C VAL A 52 1.191 5.332 0.948 1.00 0.00 C ATOM 867 O VAL A 52 2.415 5.204 0.941 1.00 0.00 O ATOM 868 CB VAL A 52 1.146 3.544 -0.785 1.00 0.00 C ATOM 869 CG1 VAL A 52 0.936 2.260 -0.001 1.00 0.00 C ATOM 870 CG2 VAL A 52 0.783 3.358 -2.250 1.00 0.00 C ATOM 0 H VAL A 52 0.736 6.165 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.580 4.307 0.266 1.00 0.00 H new ATOM 0 HB VAL A 52 2.204 3.800 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.508 1.455 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.271 2.402 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.123 2.001 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.363 2.535 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.280 3.132 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.005 4.273 -2.799 1.00 0.00 H new ATOM 880 N TYR A 53 0.540 6.014 1.892 1.00 0.00 N ATOM 881 CA TYR A 53 1.259 6.654 2.995 1.00 0.00 C ATOM 882 C TYR A 53 1.978 5.615 3.853 1.00 0.00 C ATOM 883 O TYR A 53 1.488 5.222 4.912 1.00 0.00 O ATOM 884 CB TYR A 53 0.309 7.475 3.875 1.00 0.00 C ATOM 885 CG TYR A 53 -0.213 8.739 3.219 1.00 0.00 C ATOM 886 CD1 TYR A 53 0.474 9.945 3.337 1.00 0.00 C ATOM 887 CD2 TYR A 53 -1.393 8.728 2.484 1.00 0.00 C ATOM 888 CE1 TYR A 53 -0.003 11.097 2.744 1.00 0.00 C ATOM 889 CE2 TYR A 53 -1.874 9.880 1.891 1.00 0.00 C ATOM 890 CZ TYR A 53 -1.177 11.060 2.024 1.00 0.00 C ATOM 891 OH TYR A 53 -1.657 12.208 1.438 1.00 0.00 O ATOM 0 H TYR A 53 -0.472 6.137 1.916 1.00 0.00 H new ATOM 0 HA TYR A 53 1.997 7.325 2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.538 6.850 4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.827 7.744 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.394 9.979 3.901 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.942 7.805 2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.542 12.024 2.844 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.794 9.855 1.325 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.430 11.990 0.876 1.00 0.00 H new ATOM 901 N ILE A 54 3.143 5.174 3.387 1.00 0.00 N ATOM 902 CA ILE A 54 3.931 4.181 4.109 1.00 0.00 C ATOM 903 C ILE A 54 4.368 4.724 5.475 1.00 0.00 C ATOM 904 O ILE A 54 4.441 5.936 5.671 1.00 0.00 O ATOM 905 CB ILE A 54 5.178 3.749 3.298 1.00 0.00 C ATOM 906 CG1 ILE A 54 5.909 2.603 4.009 1.00 0.00 C ATOM 907 CG2 ILE A 54 6.110 4.934 3.067 1.00 0.00 C ATOM 908 CD1 ILE A 54 7.101 2.049 3.225 1.00 0.00 C ATOM 0 H ILE A 54 3.562 5.489 2.512 1.00 0.00 H new ATOM 0 HA ILE A 54 3.296 3.308 4.257 1.00 0.00 H new ATOM 0 HB ILE A 54 4.848 3.389 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.257 2.954 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.202 1.795 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.979 4.608 2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.582 5.710 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.436 5.333 4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.566 1.242 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.758 1.666 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.829 2.843 3.060 1.00 0.00 H new ATOM 920 N THR A 55 4.661 3.822 6.414 1.00 0.00 N ATOM 921 CA THR A 55 5.092 4.212 7.752 1.00 0.00 C ATOM 922 C THR A 55 6.435 3.561 8.084 1.00 0.00 C ATOM 923 O THR A 55 6.490 2.382 8.439 1.00 0.00 O ATOM 924 CB THR A 55 4.045 3.811 8.792 1.00 0.00 C ATOM 925 OG1 THR A 55 2.807 4.447 8.527 1.00 0.00 O ATOM 926 CG2 THR A 55 4.445 4.160 10.211 1.00 0.00 C ATOM 0 H THR A 55 4.606 2.814 6.269 1.00 0.00 H new ATOM 0 HA THR A 55 5.207 5.296 7.775 1.00 0.00 H new ATOM 0 HB THR A 55 3.959 2.727 8.712 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.243 3.854 7.988 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.658 3.848 10.898 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.372 3.646 10.464 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.593 5.237 10.293 1.00 0.00 H new ATOM 934 N GLN A 56 7.515 4.324 7.944 1.00 0.00 N ATOM 935 CA GLN A 56 8.853 3.819 8.204 1.00 0.00 C ATOM 936 C GLN A 56 9.716 4.906 8.836 1.00 0.00 C ATOM 937 O GLN A 56 9.518 6.092 8.574 1.00 0.00 O ATOM 938 CB GLN A 56 9.484 3.312 6.899 1.00 0.00 C ATOM 939 CG GLN A 56 9.568 4.356 5.787 1.00 0.00 C ATOM 940 CD GLN A 56 8.298 5.163 5.637 1.00 0.00 C ATOM 941 OE1 GLN A 56 7.214 4.606 5.516 1.00 0.00 O ATOM 942 NE2 GLN A 56 8.421 6.482 5.646 1.00 0.00 N ATOM 0 H GLN A 56 7.485 5.300 7.650 1.00 0.00 H new ATOM 0 HA GLN A 56 8.789 2.986 8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.488 2.947 7.114 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.906 2.461 6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.399 5.031 5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.788 3.857 4.843 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.342 6.908 5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.594 7.072 5.550 1.00 0.00 H new ATOM 951 N ASP A 57 10.655 4.494 9.682 1.00 0.00 N ATOM 952 CA ASP A 57 11.538 5.433 10.369 1.00 0.00 C ATOM 953 C ASP A 57 10.752 6.271 11.374 1.00 0.00 C ATOM 954 O ASP A 57 11.284 7.211 11.967 1.00 0.00 O ATOM 955 CB ASP A 57 12.250 6.344 9.363 1.00 0.00 C ATOM 956 CG ASP A 57 13.111 5.567 8.388 1.00 0.00 C ATOM 957 OD1 ASP A 57 14.041 4.867 8.842 1.00 0.00 O ATOM 958 OD2 ASP A 57 12.855 5.656 7.168 1.00 0.00 O ATOM 0 H ASP A 57 10.825 3.514 9.909 1.00 0.00 H new ATOM 0 HA ASP A 57 12.291 4.858 10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.508 6.919 8.809 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.871 7.060 9.902 1.00 0.00 H new ATOM 963 N GLY A 58 9.483 5.916 11.568 1.00 0.00 N ATOM 964 CA GLY A 58 8.640 6.634 12.510 1.00 0.00 C ATOM 965 C GLY A 58 7.887 7.793 11.882 1.00 0.00 C ATOM 966 O GLY A 58 7.386 8.666 12.593 1.00 0.00 O ATOM 0 H GLY A 58 9.023 5.142 11.088 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.923 5.939 12.948 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.258 7.011 13.325 1.00 0.00 H new ATOM 970 N ILE A 59 7.800 7.808 10.555 1.00 0.00 N ATOM 971 CA ILE A 59 7.094 8.876 9.851 1.00 0.00 C ATOM 972 C ILE A 59 6.317 8.326 8.657 1.00 0.00 C ATOM 973 O ILE A 59 6.697 7.311 8.072 1.00 0.00 O ATOM 974 CB ILE A 59 8.070 9.967 9.356 1.00 0.00 C ATOM 975 CG1 ILE A 59 8.741 10.660 10.548 1.00 0.00 C ATOM 976 CG2 ILE A 59 7.347 10.986 8.477 1.00 0.00 C ATOM 977 CD1 ILE A 59 9.773 11.694 10.150 1.00 0.00 C ATOM 0 H ILE A 59 8.207 7.097 9.947 1.00 0.00 H new ATOM 0 HA ILE A 59 6.398 9.318 10.564 1.00 0.00 H new ATOM 0 HB ILE A 59 8.842 9.490 8.752 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.974 11.140 11.156 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.218 9.906 11.174 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.055 11.744 8.141 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.918 10.481 7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.551 11.462 9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.204 12.141 11.046 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.561 11.216 9.568 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.298 12.470 9.550 1.00 0.00 H new ATOM 989 N THR A 60 5.233 9.009 8.294 1.00 0.00 N ATOM 990 CA THR A 60 4.414 8.594 7.165 1.00 0.00 C ATOM 991 C THR A 60 4.802 9.382 5.909 1.00 0.00 C ATOM 992 O THR A 60 5.072 10.580 5.989 1.00 0.00 O ATOM 993 CB THR A 60 2.936 8.814 7.478 1.00 0.00 C ATOM 994 OG1 THR A 60 2.125 8.395 6.395 1.00 0.00 O ATOM 995 CG2 THR A 60 2.604 10.260 7.768 1.00 0.00 C ATOM 0 H THR A 60 4.905 9.851 8.767 1.00 0.00 H new ATOM 0 HA THR A 60 4.585 7.533 6.984 1.00 0.00 H new ATOM 0 HB THR A 60 2.734 8.221 8.370 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.647 7.816 5.800 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.539 10.353 7.983 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.179 10.600 8.629 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.854 10.872 6.901 1.00 0.00 H new ATOM 1003 N GLN A 61 4.830 8.713 4.754 1.00 0.00 N ATOM 1004 CA GLN A 61 5.188 9.363 3.498 1.00 0.00 C ATOM 1005 C GLN A 61 4.586 8.607 2.316 1.00 0.00 C ATOM 1006 O GLN A 61 4.288 7.418 2.424 1.00 0.00 O ATOM 1007 CB GLN A 61 6.712 9.431 3.352 1.00 0.00 C ATOM 1008 CG GLN A 61 7.373 10.462 4.252 1.00 0.00 C ATOM 1009 CD GLN A 61 8.890 10.399 4.211 1.00 0.00 C ATOM 1010 OE1 GLN A 61 9.431 9.441 3.465 1.00 0.00 O flip ATOM 1011 NE2 GLN A 61 9.571 11.203 4.850 1.00 0.00 N flip ATOM 0 H GLN A 61 4.608 7.721 4.666 1.00 0.00 H new ATOM 0 HA GLN A 61 4.787 10.376 3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.132 8.449 3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.958 9.658 2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.048 11.459 3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.036 10.311 5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.117 11.924 5.411 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.589 11.148 4.818 1.00 0.00 H new ATOM 1020 N PRO A 62 4.400 9.281 1.167 1.00 0.00 N ATOM 1021 CA PRO A 62 3.836 8.650 -0.026 1.00 0.00 C ATOM 1022 C PRO A 62 4.870 7.796 -0.745 1.00 0.00 C ATOM 1023 O PRO A 62 6.021 8.206 -0.901 1.00 0.00 O ATOM 1024 CB PRO A 62 3.443 9.849 -0.889 1.00 0.00 C ATOM 1025 CG PRO A 62 4.458 10.870 -0.555 1.00 0.00 C ATOM 1026 CD PRO A 62 4.731 10.701 0.928 1.00 0.00 C ATOM 0 HA PRO A 62 3.008 7.979 0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.459 9.601 -1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.436 10.195 -0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.366 10.726 -1.140 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.093 11.873 -0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.770 10.920 1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.113 11.366 1.531 1.00 0.00 H new ATOM 1034 N PHE A 63 4.464 6.613 -1.187 1.00 0.00 N ATOM 1035 CA PHE A 63 5.388 5.726 -1.894 1.00 0.00 C ATOM 1036 C PHE A 63 5.837 6.422 -3.190 1.00 0.00 C ATOM 1037 O PHE A 63 5.109 7.276 -3.695 1.00 0.00 O ATOM 1038 CB PHE A 63 4.737 4.364 -2.206 1.00 0.00 C ATOM 1039 CG PHE A 63 5.708 3.211 -2.197 1.00 0.00 C ATOM 1040 CD1 PHE A 63 6.403 2.887 -1.037 1.00 0.00 C ATOM 1041 CD2 PHE A 63 5.928 2.449 -3.335 1.00 0.00 C ATOM 1042 CE1 PHE A 63 7.293 1.831 -1.018 1.00 0.00 C ATOM 1043 CE2 PHE A 63 6.818 1.395 -3.317 1.00 0.00 C ATOM 1044 CZ PHE A 63 7.502 1.085 -2.159 1.00 0.00 C ATOM 0 H PHE A 63 3.519 6.247 -1.073 1.00 0.00 H new ATOM 0 HA PHE A 63 6.251 5.528 -1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.951 4.171 -1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.258 4.416 -3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.245 3.468 -0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.397 2.683 -4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.825 1.589 -0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.980 0.811 -4.211 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.199 0.260 -2.146 1.00 0.00 H new ATOM 1054 N PRO A 64 7.026 6.104 -3.763 1.00 0.00 N ATOM 1055 CA PRO A 64 7.474 6.766 -4.994 1.00 0.00 C ATOM 1056 C PRO A 64 6.569 6.456 -6.194 1.00 0.00 C ATOM 1057 O PRO A 64 5.977 7.372 -6.764 1.00 0.00 O ATOM 1058 CB PRO A 64 8.902 6.244 -5.217 1.00 0.00 C ATOM 1059 CG PRO A 64 9.291 5.584 -3.937 1.00 0.00 C ATOM 1060 CD PRO A 64 8.015 5.116 -3.295 1.00 0.00 C ATOM 0 HA PRO A 64 7.436 7.851 -4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.937 5.539 -6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.584 7.059 -5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.963 4.746 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.820 6.280 -3.286 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.754 4.105 -3.607 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.091 5.105 -2.208 1.00 0.00 H new ATOM 1068 N PRO A 65 6.429 5.167 -6.600 1.00 0.00 N ATOM 1069 CA PRO A 65 5.572 4.780 -7.727 1.00 0.00 C ATOM 1070 C PRO A 65 4.256 5.553 -7.765 1.00 0.00 C ATOM 1071 O PRO A 65 3.533 5.538 -6.747 1.00 0.00 O ATOM 1072 CB PRO A 65 5.323 3.306 -7.420 1.00 0.00 C ATOM 1073 CG PRO A 65 6.626 2.848 -6.909 1.00 0.00 C ATOM 1074 CD PRO A 65 7.071 3.970 -6.001 1.00 0.00 C ATOM 1075 OXT PRO A 65 3.961 6.166 -8.812 1.00 0.00 O ATOM 0 HA PRO A 65 6.026 4.981 -8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.532 3.176 -6.682 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.022 2.754 -8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.535 1.907 -6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.337 2.682 -7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.744 3.810 -4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.157 4.064 -5.979 1.00 0.00 H new TER 1083 PRO A 65