USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 559 hydrogens (19 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 NoAdj-H: B 9 M3L H2 : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD NoAdj-H: B 9 M3L H : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -0.424 K(o=0.28,f=-4.1) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 164:sc= 0.702 (180deg=0) USER MOD Set 2.1: A 23 LYS NZ :NH3+ -128:sc= 0.0206 (180deg=-0.277) USER MOD Set 2.2: A 32 ASN : amide:sc= -3.18! K(o=-3.2!,f=-4.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 135:sc= 0.277 (180deg=0.0277) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.0188 (180deg=-0.256) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 109:sc= 0.286 USER MOD Single : A 39 ASN : amide:sc= -3.3! X(o=-3.3!,f=-3.8) USER MOD Single : A 42 CYS SG : rot 45:sc= -1.2 USER MOD Single : A 51 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 52 SER OG : rot 85:sc= 0.626 USER MOD Single : B 1 ALA N :NH3+ 136:sc= 0.00487 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -0.854 K(o=-0.85,f=-3.4) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 140:sc=-0.00389 USER MOD Single : B 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0349) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.531 1.398 -4.411 1.00 0.00 N ATOM 2 CA GLY A 1 2.017 0.655 -3.228 1.00 0.00 C ATOM 3 C GLY A 1 3.317 1.234 -2.680 1.00 0.00 C ATOM 4 O GLY A 1 3.292 2.044 -1.749 1.00 0.00 O ATOM 0 H1 GLY A 1 0.646 0.970 -4.750 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.359 2.390 -4.151 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.246 1.357 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.255 0.676 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.171 -0.390 -3.495 1.00 0.00 H new ATOM 10 N GLU A 2 4.457 0.830 -3.275 1.00 0.00 N ATOM 11 CA GLU A 2 5.804 1.268 -2.844 1.00 0.00 C ATOM 12 C GLU A 2 6.068 2.688 -3.361 1.00 0.00 C ATOM 13 O GLU A 2 5.580 3.067 -4.436 1.00 0.00 O ATOM 14 CB GLU A 2 6.908 0.301 -3.371 1.00 0.00 C ATOM 15 CG GLU A 2 6.832 -1.156 -2.850 1.00 0.00 C ATOM 16 CD GLU A 2 5.569 -1.919 -3.296 1.00 0.00 C ATOM 17 OE1 GLU A 2 5.294 -1.964 -4.518 1.00 0.00 O ATOM 18 OE2 GLU A 2 4.836 -2.459 -2.439 1.00 0.00 O ATOM 0 H GLU A 2 4.472 0.190 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 2 5.838 1.257 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.857 0.281 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.882 0.712 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.712 -1.700 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.870 -1.143 -1.761 1.00 0.00 H new ATOM 25 N PHE A 3 6.841 3.457 -2.590 1.00 0.00 N ATOM 26 CA PHE A 3 7.196 4.840 -2.925 1.00 0.00 C ATOM 27 C PHE A 3 8.475 4.827 -3.764 1.00 0.00 C ATOM 28 O PHE A 3 9.530 4.402 -3.273 1.00 0.00 O ATOM 29 CB PHE A 3 7.435 5.657 -1.630 1.00 0.00 C ATOM 30 CG PHE A 3 6.275 5.650 -0.651 1.00 0.00 C ATOM 31 CD1 PHE A 3 6.132 4.618 0.282 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.326 6.663 -0.662 1.00 0.00 C ATOM 33 CE1 PHE A 3 5.072 4.610 1.166 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.270 6.652 0.225 1.00 0.00 C ATOM 35 CZ PHE A 3 4.144 5.626 1.136 1.00 0.00 C ATOM 0 H PHE A 3 7.242 3.136 -1.709 1.00 0.00 H new ATOM 0 HA PHE A 3 6.383 5.301 -3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 3 8.319 5.265 -1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.655 6.689 -1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 3 6.858 3.819 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 3 5.416 7.470 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.971 3.807 1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.541 7.449 0.206 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.315 5.619 1.828 1.00 0.00 H new ATOM 45 N VAL A 4 8.385 5.282 -5.022 1.00 0.00 N ATOM 46 CA VAL A 4 9.558 5.388 -5.888 1.00 0.00 C ATOM 47 C VAL A 4 10.405 6.592 -5.450 1.00 0.00 C ATOM 48 O VAL A 4 9.900 7.717 -5.303 1.00 0.00 O ATOM 49 CB VAL A 4 9.176 5.455 -7.414 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.336 6.714 -7.769 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.441 5.311 -8.305 1.00 0.00 C ATOM 0 H VAL A 4 7.512 5.581 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 4 10.152 4.481 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 4 8.526 4.606 -7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.102 6.707 -8.834 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.410 6.708 -7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.906 7.611 -7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.154 5.360 -9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.138 6.119 -8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.920 4.353 -8.104 1.00 0.00 H new ATOM 61 N VAL A 5 11.684 6.326 -5.183 1.00 0.00 N ATOM 62 CA VAL A 5 12.634 7.329 -4.691 1.00 0.00 C ATOM 63 C VAL A 5 13.616 7.705 -5.813 1.00 0.00 C ATOM 64 O VAL A 5 14.093 6.842 -6.557 1.00 0.00 O ATOM 65 CB VAL A 5 13.364 6.848 -3.367 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.765 5.360 -3.428 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.584 7.742 -3.016 1.00 0.00 C ATOM 0 H VAL A 5 12.095 5.400 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 5 12.087 8.229 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 5 12.637 6.955 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.261 5.078 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.873 4.748 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.445 5.200 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.053 7.376 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.306 7.710 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.251 8.769 -2.866 1.00 0.00 H new ATOM 77 N GLU A 6 13.838 9.023 -5.947 1.00 0.00 N ATOM 78 CA GLU A 6 14.769 9.617 -6.917 1.00 0.00 C ATOM 79 C GLU A 6 16.219 9.247 -6.569 1.00 0.00 C ATOM 80 O GLU A 6 16.926 8.622 -7.370 1.00 0.00 O ATOM 81 CB GLU A 6 14.608 11.168 -6.919 1.00 0.00 C ATOM 82 CG GLU A 6 15.492 11.931 -7.925 1.00 0.00 C ATOM 83 CD GLU A 6 15.095 11.722 -9.400 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.528 10.729 -10.021 1.00 0.00 O ATOM 85 OE2 GLU A 6 14.353 12.566 -9.952 1.00 0.00 O ATOM 0 H GLU A 6 13.364 9.719 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 6 14.537 9.226 -7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.565 11.406 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.826 11.539 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.448 12.996 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.528 11.619 -7.791 1.00 0.00 H new ATOM 92 N LYS A 7 16.631 9.620 -5.339 1.00 0.00 N ATOM 93 CA LYS A 7 18.033 9.544 -4.896 1.00 0.00 C ATOM 94 C LYS A 7 18.131 9.656 -3.367 1.00 0.00 C ATOM 95 O LYS A 7 17.165 10.036 -2.690 1.00 0.00 O ATOM 96 CB LYS A 7 18.857 10.691 -5.555 1.00 0.00 C ATOM 97 CG LYS A 7 18.335 12.114 -5.223 1.00 0.00 C ATOM 98 CD LYS A 7 19.138 13.243 -5.904 1.00 0.00 C ATOM 99 CE LYS A 7 20.601 13.320 -5.427 1.00 0.00 C ATOM 100 NZ LYS A 7 21.315 14.478 -6.016 1.00 0.00 N ATOM 0 H LYS A 7 15.997 9.982 -4.627 1.00 0.00 H new ATOM 0 HA LYS A 7 18.437 8.578 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.895 10.611 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.849 10.555 -6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.291 12.189 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.364 12.260 -4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.122 13.091 -6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.648 14.197 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.625 13.394 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.119 12.399 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.296 14.494 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.315 14.395 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.836 15.359 -5.739 1.00 0.00 H new ATOM 114 N VAL A 8 19.323 9.333 -2.848 1.00 0.00 N ATOM 115 CA VAL A 8 19.698 9.591 -1.454 1.00 0.00 C ATOM 116 C VAL A 8 20.439 10.941 -1.390 1.00 0.00 C ATOM 117 O VAL A 8 21.223 11.267 -2.286 1.00 0.00 O ATOM 118 CB VAL A 8 20.611 8.453 -0.873 1.00 0.00 C ATOM 119 CG1 VAL A 8 21.005 8.739 0.596 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.953 7.052 -1.019 1.00 0.00 C ATOM 0 H VAL A 8 20.060 8.881 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 8 18.792 9.619 -0.848 1.00 0.00 H new ATOM 0 HB VAL A 8 21.526 8.443 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.637 7.932 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.551 9.681 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.105 8.806 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.617 6.293 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.005 7.037 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.775 6.842 -2.074 1.00 0.00 H new ATOM 130 N LEU A 9 20.176 11.712 -0.326 1.00 0.00 N ATOM 131 CA LEU A 9 20.715 13.067 -0.137 1.00 0.00 C ATOM 132 C LEU A 9 21.763 13.094 0.993 1.00 0.00 C ATOM 133 O LEU A 9 22.790 13.784 0.886 1.00 0.00 O ATOM 134 CB LEU A 9 19.554 14.052 0.182 1.00 0.00 C ATOM 135 CG LEU A 9 18.422 14.151 -0.897 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.295 15.104 -0.449 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.994 14.568 -2.266 1.00 0.00 C ATOM 0 H LEU A 9 19.574 11.408 0.439 1.00 0.00 H new ATOM 0 HA LEU A 9 21.208 13.375 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.102 13.755 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.977 15.046 0.329 1.00 0.00 H new ATOM 0 HG LEU A 9 17.985 13.158 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.527 15.148 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.856 14.737 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.705 16.101 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.186 14.629 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.476 15.541 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.725 13.829 -2.595 1.00 0.00 H new ATOM 149 N ASP A 10 21.502 12.319 2.069 1.00 0.00 N ATOM 150 CA ASP A 10 22.318 12.352 3.298 1.00 0.00 C ATOM 151 C ASP A 10 22.146 11.035 4.089 1.00 0.00 C ATOM 152 O ASP A 10 21.225 10.261 3.818 1.00 0.00 O ATOM 153 CB ASP A 10 21.933 13.593 4.151 1.00 0.00 C ATOM 154 CG ASP A 10 22.986 13.940 5.216 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.970 14.632 4.888 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.845 13.524 6.385 1.00 0.00 O ATOM 0 H ASP A 10 20.726 11.659 2.108 1.00 0.00 H new ATOM 0 HA ASP A 10 23.372 12.440 3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.794 14.451 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.977 13.408 4.640 1.00 0.00 H new ATOM 161 N ARG A 11 23.060 10.788 5.044 1.00 0.00 N ATOM 162 CA ARG A 11 23.103 9.562 5.870 1.00 0.00 C ATOM 163 C ARG A 11 23.236 9.935 7.367 1.00 0.00 C ATOM 164 O ARG A 11 23.988 10.854 7.721 1.00 0.00 O ATOM 165 CB ARG A 11 24.308 8.695 5.417 1.00 0.00 C ATOM 166 CG ARG A 11 24.500 7.364 6.187 1.00 0.00 C ATOM 167 CD ARG A 11 25.702 6.554 5.667 1.00 0.00 C ATOM 168 NE ARG A 11 25.882 5.282 6.401 1.00 0.00 N ATOM 169 CZ ARG A 11 26.496 4.185 5.915 1.00 0.00 C ATOM 170 NH1 ARG A 11 26.985 4.168 4.682 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.603 3.106 6.671 1.00 0.00 N ATOM 0 H ARG A 11 23.806 11.446 5.270 1.00 0.00 H new ATOM 0 HA ARG A 11 22.180 8.996 5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.192 8.468 4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 11 25.217 9.287 5.518 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.640 7.577 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.595 6.763 6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.563 6.343 4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.608 7.154 5.757 1.00 0.00 H new ATOM 0 HE ARG A 11 25.512 5.231 7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 11 26.899 4.993 4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 11 27.447 3.330 4.328 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.222 3.106 7.617 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.067 2.273 6.308 1.00 0.00 H new ATOM 185 N ARG A 12 22.494 9.212 8.226 1.00 0.00 N ATOM 186 CA ARG A 12 22.565 9.338 9.703 1.00 0.00 C ATOM 187 C ARG A 12 22.656 7.932 10.325 1.00 0.00 C ATOM 188 O ARG A 12 22.353 6.927 9.661 1.00 0.00 O ATOM 189 CB ARG A 12 21.306 10.083 10.259 1.00 0.00 C ATOM 190 CG ARG A 12 20.030 9.202 10.373 1.00 0.00 C ATOM 191 CD ARG A 12 18.737 9.990 10.620 1.00 0.00 C ATOM 192 NE ARG A 12 18.744 10.772 11.856 1.00 0.00 N ATOM 193 CZ ARG A 12 17.668 11.001 12.620 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.514 10.371 12.394 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.773 11.820 13.645 1.00 0.00 N ATOM 0 H ARG A 12 21.818 8.514 7.915 1.00 0.00 H new ATOM 0 HA ARG A 12 23.449 9.919 9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.543 10.485 11.244 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.088 10.933 9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.919 8.624 9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.167 8.488 11.185 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.566 10.661 9.778 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.899 9.294 10.647 1.00 0.00 H new ATOM 0 HE ARG A 12 19.632 11.172 12.158 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.440 9.701 11.628 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.706 10.559 12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.665 12.271 13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.962 12.004 14.236 1.00 0.00 H new ATOM 209 N VAL A 13 23.076 7.868 11.599 1.00 0.00 N ATOM 210 CA VAL A 13 23.045 6.634 12.406 1.00 0.00 C ATOM 211 C VAL A 13 22.387 6.954 13.768 1.00 0.00 C ATOM 212 O VAL A 13 22.962 7.680 14.587 1.00 0.00 O ATOM 213 CB VAL A 13 24.472 5.997 12.630 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.355 4.630 13.367 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.245 5.843 11.294 1.00 0.00 C ATOM 0 H VAL A 13 23.449 8.674 12.102 1.00 0.00 H new ATOM 0 HA VAL A 13 22.467 5.892 11.855 1.00 0.00 H new ATOM 0 HB VAL A 13 25.043 6.679 13.260 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.350 4.208 13.511 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.880 4.779 14.337 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.754 3.945 12.770 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.222 5.401 11.488 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.682 5.197 10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.374 6.822 10.834 1.00 0.00 H new ATOM 225 N VAL A 14 21.157 6.445 13.973 1.00 0.00 N ATOM 226 CA VAL A 14 20.391 6.610 15.218 1.00 0.00 C ATOM 227 C VAL A 14 20.103 5.242 15.862 1.00 0.00 C ATOM 228 O VAL A 14 19.558 4.342 15.214 1.00 0.00 O ATOM 229 CB VAL A 14 19.046 7.390 14.963 1.00 0.00 C ATOM 230 CG1 VAL A 14 19.316 8.902 14.822 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.278 6.837 13.723 1.00 0.00 C ATOM 0 H VAL A 14 20.663 5.900 13.267 1.00 0.00 H new ATOM 0 HA VAL A 14 20.997 7.200 15.906 1.00 0.00 H new ATOM 0 HB VAL A 14 18.404 7.234 15.830 1.00 0.00 H new ATOM 0 HG11 VAL A 14 18.376 9.425 14.646 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.774 9.277 15.737 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.989 9.075 13.982 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.357 7.403 13.583 1.00 0.00 H new ATOM 0 HG22 VAL A 14 18.902 6.935 12.835 1.00 0.00 H new ATOM 0 HG23 VAL A 14 18.037 5.786 13.883 1.00 0.00 H new ATOM 241 N ASN A 15 20.503 5.105 17.147 1.00 0.00 N ATOM 242 CA ASN A 15 20.310 3.877 17.968 1.00 0.00 C ATOM 243 C ASN A 15 20.978 2.634 17.331 1.00 0.00 C ATOM 244 O ASN A 15 20.568 1.493 17.584 1.00 0.00 O ATOM 245 CB ASN A 15 18.800 3.627 18.241 1.00 0.00 C ATOM 246 CG ASN A 15 18.129 4.738 19.058 1.00 0.00 C ATOM 247 OD1 ASN A 15 18.074 4.675 20.285 1.00 0.00 O ATOM 248 ND2 ASN A 15 17.634 5.771 18.383 1.00 0.00 N ATOM 0 H ASN A 15 20.976 5.853 17.654 1.00 0.00 H new ATOM 0 HA ASN A 15 20.808 4.046 18.923 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.280 3.524 17.289 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.687 2.681 18.770 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.192 6.542 18.883 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.696 5.792 17.365 1.00 0.00 H new ATOM 255 N GLY A 16 22.022 2.877 16.523 1.00 0.00 N ATOM 256 CA GLY A 16 22.742 1.818 15.813 1.00 0.00 C ATOM 257 C GLY A 16 22.194 1.550 14.409 1.00 0.00 C ATOM 258 O GLY A 16 22.868 0.922 13.583 1.00 0.00 O ATOM 0 H GLY A 16 22.387 3.813 16.346 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.795 2.091 15.739 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.691 0.899 16.397 1.00 0.00 H new ATOM 262 N LYS A 17 20.966 2.026 14.140 1.00 0.00 N ATOM 263 CA LYS A 17 20.305 1.899 12.842 1.00 0.00 C ATOM 264 C LYS A 17 20.771 3.035 11.918 1.00 0.00 C ATOM 265 O LYS A 17 21.071 4.133 12.377 1.00 0.00 O ATOM 266 CB LYS A 17 18.746 1.879 13.042 1.00 0.00 C ATOM 267 CG LYS A 17 17.931 2.640 11.977 1.00 0.00 C ATOM 268 CD LYS A 17 16.425 2.291 11.996 1.00 0.00 C ATOM 269 CE LYS A 17 15.709 2.802 13.235 1.00 0.00 C ATOM 270 NZ LYS A 17 15.588 4.285 13.242 1.00 0.00 N ATOM 0 H LYS A 17 20.401 2.516 14.833 1.00 0.00 H new ATOM 0 HA LYS A 17 20.578 0.959 12.364 1.00 0.00 H new ATOM 0 HB2 LYS A 17 18.412 0.841 13.057 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.517 2.302 14.020 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.051 3.712 12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.337 2.416 10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.950 2.712 11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.308 1.209 11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.715 2.358 13.287 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.250 2.479 14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.623 4.553 13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.269 4.686 13.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.788 4.654 12.290 1.00 0.00 H new ATOM 284 N VAL A 18 20.797 2.753 10.609 1.00 0.00 N ATOM 285 CA VAL A 18 21.350 3.661 9.583 1.00 0.00 C ATOM 286 C VAL A 18 20.225 4.103 8.637 1.00 0.00 C ATOM 287 O VAL A 18 19.654 3.275 7.916 1.00 0.00 O ATOM 288 CB VAL A 18 22.510 2.972 8.768 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.073 3.923 7.679 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.632 2.479 9.722 1.00 0.00 C ATOM 0 H VAL A 18 20.433 1.882 10.224 1.00 0.00 H new ATOM 0 HA VAL A 18 21.773 4.532 10.084 1.00 0.00 H new ATOM 0 HB VAL A 18 22.095 2.102 8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.871 3.420 7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.276 4.195 6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.467 4.823 8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.423 2.006 9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.042 3.327 10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.219 1.757 10.427 1.00 0.00 H new ATOM 300 N GLU A 19 19.900 5.410 8.654 1.00 0.00 N ATOM 301 CA GLU A 19 18.832 5.978 7.814 1.00 0.00 C ATOM 302 C GLU A 19 19.420 6.872 6.724 1.00 0.00 C ATOM 303 O GLU A 19 20.526 7.409 6.864 1.00 0.00 O ATOM 304 CB GLU A 19 17.794 6.751 8.672 1.00 0.00 C ATOM 305 CG GLU A 19 17.247 5.948 9.872 1.00 0.00 C ATOM 306 CD GLU A 19 16.058 6.613 10.587 1.00 0.00 C ATOM 307 OE1 GLU A 19 16.157 7.809 10.938 1.00 0.00 O ATOM 308 OE2 GLU A 19 15.034 5.928 10.843 1.00 0.00 O ATOM 0 H GLU A 19 20.368 6.096 9.246 1.00 0.00 H new ATOM 0 HA GLU A 19 18.310 5.153 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.254 7.668 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.960 7.047 8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.942 4.961 9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.052 5.798 10.592 1.00 0.00 H new ATOM 315 N TYR A 20 18.662 7.016 5.636 1.00 0.00 N ATOM 316 CA TYR A 20 19.052 7.791 4.457 1.00 0.00 C ATOM 317 C TYR A 20 17.928 8.779 4.112 1.00 0.00 C ATOM 318 O TYR A 20 16.755 8.389 4.055 1.00 0.00 O ATOM 319 CB TYR A 20 19.330 6.842 3.262 1.00 0.00 C ATOM 320 CG TYR A 20 20.567 5.937 3.445 1.00 0.00 C ATOM 321 CD1 TYR A 20 21.845 6.370 3.073 1.00 0.00 C ATOM 322 CD2 TYR A 20 20.462 4.659 4.005 1.00 0.00 C ATOM 323 CE1 TYR A 20 22.959 5.571 3.243 1.00 0.00 C ATOM 324 CE2 TYR A 20 21.580 3.862 4.178 1.00 0.00 C ATOM 325 CZ TYR A 20 22.820 4.320 3.795 1.00 0.00 C ATOM 326 OH TYR A 20 23.927 3.519 3.964 1.00 0.00 O ATOM 0 H TYR A 20 17.740 6.588 5.548 1.00 0.00 H new ATOM 0 HA TYR A 20 19.966 8.346 4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.455 6.213 3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.462 7.441 2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 20 21.963 7.353 2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 20 19.493 4.289 4.307 1.00 0.00 H new ATOM 0 HE1 TYR A 20 23.934 5.927 2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 20 21.479 2.879 4.614 1.00 0.00 H new ATOM 0 HH TYR A 20 23.656 2.668 4.368 1.00 0.00 H new ATOM 336 N PHE A 21 18.292 10.061 3.918 1.00 0.00 N ATOM 337 CA PHE A 21 17.338 11.128 3.583 1.00 0.00 C ATOM 338 C PHE A 21 17.005 11.025 2.102 1.00 0.00 C ATOM 339 O PHE A 21 17.845 11.314 1.251 1.00 0.00 O ATOM 340 CB PHE A 21 17.950 12.514 3.930 1.00 0.00 C ATOM 341 CG PHE A 21 16.968 13.681 3.894 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.770 13.619 4.608 1.00 0.00 C ATOM 343 CD2 PHE A 21 17.241 14.844 3.174 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.882 14.675 4.597 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.348 15.899 3.161 1.00 0.00 C ATOM 346 CZ PHE A 21 15.170 15.814 3.873 1.00 0.00 C ATOM 0 H PHE A 21 19.257 10.383 3.990 1.00 0.00 H new ATOM 0 HA PHE A 21 16.422 11.019 4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.391 12.461 4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.762 12.721 3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.535 12.732 5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 21 18.164 14.921 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.960 14.610 5.156 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.573 16.790 2.593 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.473 16.639 3.864 1.00 0.00 H new ATOM 356 N LEU A 22 15.795 10.569 1.801 1.00 0.00 N ATOM 357 CA LEU A 22 15.387 10.251 0.440 1.00 0.00 C ATOM 358 C LEU A 22 14.647 11.416 -0.195 1.00 0.00 C ATOM 359 O LEU A 22 13.714 11.959 0.404 1.00 0.00 O ATOM 360 CB LEU A 22 14.484 9.002 0.426 1.00 0.00 C ATOM 361 CG LEU A 22 15.115 7.680 0.954 1.00 0.00 C ATOM 362 CD1 LEU A 22 14.185 6.497 0.667 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.528 7.435 0.376 1.00 0.00 C ATOM 0 H LEU A 22 15.067 10.409 2.497 1.00 0.00 H new ATOM 0 HA LEU A 22 16.289 10.052 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.596 9.217 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.149 8.835 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 22 15.233 7.778 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.638 5.579 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.228 6.658 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.026 6.411 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.927 6.502 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.471 7.372 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 22 17.184 8.259 0.657 1.00 0.00 H new ATOM 375 N LYS A 23 15.085 11.793 -1.405 1.00 0.00 N ATOM 376 CA LYS A 23 14.300 12.615 -2.297 1.00 0.00 C ATOM 377 C LYS A 23 13.370 11.652 -3.039 1.00 0.00 C ATOM 378 O LYS A 23 13.839 10.784 -3.768 1.00 0.00 O ATOM 379 CB LYS A 23 15.209 13.422 -3.280 1.00 0.00 C ATOM 380 CG LYS A 23 14.541 14.673 -3.906 1.00 0.00 C ATOM 381 CD LYS A 23 13.350 14.356 -4.841 1.00 0.00 C ATOM 382 CE LYS A 23 12.548 15.605 -5.238 1.00 0.00 C ATOM 383 NZ LYS A 23 11.904 16.240 -4.048 1.00 0.00 N ATOM 0 H LYS A 23 15.996 11.529 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 23 13.730 13.366 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.107 13.735 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.530 12.759 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.195 15.326 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.292 15.229 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.723 13.869 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.686 13.647 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.208 16.324 -5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.783 15.332 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.890 16.377 -4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.024 15.624 -3.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.349 17.161 -3.863 1.00 0.00 H new ATOM 397 N TRP A 24 12.067 11.795 -2.821 1.00 0.00 N ATOM 398 CA TRP A 24 11.058 10.957 -3.474 1.00 0.00 C ATOM 399 C TRP A 24 10.806 11.458 -4.904 1.00 0.00 C ATOM 400 O TRP A 24 10.560 12.646 -5.100 1.00 0.00 O ATOM 401 CB TRP A 24 9.762 10.980 -2.651 1.00 0.00 C ATOM 402 CG TRP A 24 9.940 10.548 -1.219 1.00 0.00 C ATOM 403 CD1 TRP A 24 9.950 11.344 -0.116 1.00 0.00 C ATOM 404 CD2 TRP A 24 10.169 9.220 -0.755 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.132 10.589 1.009 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.277 9.278 0.643 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.279 7.984 -1.385 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.486 8.153 1.420 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.496 6.864 -0.611 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.593 6.954 0.778 1.00 0.00 C ATOM 0 H TRP A 24 11.677 12.493 -2.188 1.00 0.00 H new ATOM 0 HA TRP A 24 11.417 9.930 -3.531 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.351 11.989 -2.667 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.029 10.330 -3.128 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.831 12.417 -0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.156 10.944 1.965 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.196 7.904 -2.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.562 8.221 2.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.593 5.900 -1.088 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.756 6.057 1.356 1.00 0.00 H new ATOM 421 N LYS A 25 10.843 10.538 -5.882 1.00 0.00 N ATOM 422 CA LYS A 25 10.879 10.884 -7.314 1.00 0.00 C ATOM 423 C LYS A 25 9.559 11.531 -7.780 1.00 0.00 C ATOM 424 O LYS A 25 9.567 12.557 -8.466 1.00 0.00 O ATOM 425 CB LYS A 25 11.199 9.614 -8.150 1.00 0.00 C ATOM 426 CG LYS A 25 11.814 9.905 -9.534 1.00 0.00 C ATOM 427 CD LYS A 25 12.186 8.627 -10.321 1.00 0.00 C ATOM 428 CE LYS A 25 10.956 7.865 -10.835 1.00 0.00 C ATOM 429 NZ LYS A 25 10.139 8.682 -11.770 1.00 0.00 N ATOM 0 H LYS A 25 10.849 9.534 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 25 11.666 11.622 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.886 8.985 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.281 9.042 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.108 10.492 -10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.707 10.517 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.819 8.898 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.773 7.969 -9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.280 6.954 -11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.340 7.560 -9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.477 8.065 -12.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.603 9.393 -11.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.764 9.160 -12.450 1.00 0.00 H new ATOM 443 N GLY A 26 8.437 10.917 -7.379 1.00 0.00 N ATOM 444 CA GLY A 26 7.100 11.391 -7.752 1.00 0.00 C ATOM 445 C GLY A 26 6.451 12.279 -6.688 1.00 0.00 C ATOM 446 O GLY A 26 5.221 12.431 -6.673 1.00 0.00 O ATOM 0 H GLY A 26 8.432 10.084 -6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.168 11.947 -8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.457 10.531 -7.939 1.00 0.00 H new ATOM 450 N PHE A 27 7.276 12.863 -5.783 1.00 0.00 N ATOM 451 CA PHE A 27 6.799 13.700 -4.648 1.00 0.00 C ATOM 452 C PHE A 27 7.718 14.927 -4.434 1.00 0.00 C ATOM 453 O PHE A 27 8.791 15.032 -5.038 1.00 0.00 O ATOM 454 CB PHE A 27 6.710 12.863 -3.346 1.00 0.00 C ATOM 455 CG PHE A 27 5.776 11.646 -3.408 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.393 11.803 -3.338 1.00 0.00 C ATOM 457 CD2 PHE A 27 6.281 10.347 -3.543 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.544 10.707 -3.398 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.432 9.256 -3.603 1.00 0.00 C ATOM 460 CZ PHE A 27 4.065 9.435 -3.531 1.00 0.00 C ATOM 0 H PHE A 27 8.291 12.768 -5.818 1.00 0.00 H new ATOM 0 HA PHE A 27 5.801 14.060 -4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.711 12.519 -3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.377 13.514 -2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.975 12.794 -3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.349 10.194 -3.601 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.475 10.849 -3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.840 8.261 -3.706 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.404 8.582 -3.579 1.00 0.00 H new ATOM 470 N THR A 28 7.275 15.848 -3.551 1.00 0.00 N ATOM 471 CA THR A 28 7.951 17.139 -3.294 1.00 0.00 C ATOM 472 C THR A 28 9.157 17.003 -2.335 1.00 0.00 C ATOM 473 O THR A 28 9.409 15.935 -1.760 1.00 0.00 O ATOM 474 CB THR A 28 6.931 18.178 -2.709 1.00 0.00 C ATOM 475 OG1 THR A 28 6.365 17.663 -1.489 1.00 0.00 O ATOM 476 CG2 THR A 28 5.797 18.505 -3.708 1.00 0.00 C ATOM 0 H THR A 28 6.432 15.716 -2.992 1.00 0.00 H new ATOM 0 HA THR A 28 8.334 17.488 -4.253 1.00 0.00 H new ATOM 0 HB THR A 28 7.475 19.102 -2.513 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.729 18.313 -1.123 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.115 19.228 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.224 18.925 -4.619 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.251 17.593 -3.950 1.00 0.00 H new ATOM 484 N ASP A 29 9.904 18.114 -2.203 1.00 0.00 N ATOM 485 CA ASP A 29 11.059 18.243 -1.283 1.00 0.00 C ATOM 486 C ASP A 29 10.604 18.310 0.185 1.00 0.00 C ATOM 487 O ASP A 29 11.356 17.960 1.096 1.00 0.00 O ATOM 488 CB ASP A 29 11.886 19.508 -1.631 1.00 0.00 C ATOM 489 CG ASP A 29 11.075 20.810 -1.509 1.00 0.00 C ATOM 490 OD1 ASP A 29 10.289 21.105 -2.428 1.00 0.00 O ATOM 491 OD2 ASP A 29 11.200 21.520 -0.493 1.00 0.00 O ATOM 0 H ASP A 29 9.723 18.963 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 29 11.681 17.357 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.751 19.562 -0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.267 19.418 -2.648 1.00 0.00 H new ATOM 496 N ALA A 30 9.378 18.812 0.397 1.00 0.00 N ATOM 497 CA ALA A 30 8.739 18.853 1.730 1.00 0.00 C ATOM 498 C ALA A 30 8.337 17.437 2.193 1.00 0.00 C ATOM 499 O ALA A 30 8.175 17.181 3.396 1.00 0.00 O ATOM 500 CB ALA A 30 7.516 19.777 1.692 1.00 0.00 C ATOM 0 H ALA A 30 8.799 19.201 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 30 9.458 19.246 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.049 19.803 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.829 20.783 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.800 19.403 0.961 1.00 0.00 H new ATOM 506 N ASP A 31 8.173 16.531 1.209 1.00 0.00 N ATOM 507 CA ASP A 31 7.779 15.131 1.429 1.00 0.00 C ATOM 508 C ASP A 31 9.016 14.250 1.740 1.00 0.00 C ATOM 509 O ASP A 31 8.866 13.158 2.305 1.00 0.00 O ATOM 510 CB ASP A 31 7.011 14.613 0.180 1.00 0.00 C ATOM 511 CG ASP A 31 6.303 13.264 0.411 1.00 0.00 C ATOM 512 OD1 ASP A 31 5.304 13.233 1.165 1.00 0.00 O ATOM 513 OD2 ASP A 31 6.714 12.244 -0.173 1.00 0.00 O ATOM 0 H ASP A 31 8.314 16.758 0.225 1.00 0.00 H new ATOM 0 HA ASP A 31 7.120 15.073 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.271 15.357 -0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.710 14.510 -0.650 1.00 0.00 H new ATOM 518 N ASN A 32 10.228 14.741 1.358 1.00 0.00 N ATOM 519 CA ASN A 32 11.533 14.078 1.644 1.00 0.00 C ATOM 520 C ASN A 32 11.651 13.672 3.123 1.00 0.00 C ATOM 521 O ASN A 32 11.546 14.524 4.015 1.00 0.00 O ATOM 522 CB ASN A 32 12.708 15.025 1.277 1.00 0.00 C ATOM 523 CG ASN A 32 12.922 15.243 -0.221 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.040 15.007 -1.055 1.00 0.00 O ATOM 525 ND2 ASN A 32 14.091 15.751 -0.562 1.00 0.00 N ATOM 0 H ASN A 32 10.328 15.614 0.840 1.00 0.00 H new ATOM 0 HA ASN A 32 11.581 13.175 1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.535 15.993 1.748 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.626 14.622 1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.290 15.962 -1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.796 15.933 0.152 1.00 0.00 H new ATOM 532 N THR A 33 11.858 12.364 3.369 1.00 0.00 N ATOM 533 CA THR A 33 11.893 11.792 4.728 1.00 0.00 C ATOM 534 C THR A 33 13.050 10.791 4.903 1.00 0.00 C ATOM 535 O THR A 33 13.583 10.248 3.925 1.00 0.00 O ATOM 536 CB THR A 33 10.526 11.100 5.080 1.00 0.00 C ATOM 537 OG1 THR A 33 10.089 10.271 3.990 1.00 0.00 O ATOM 538 CG2 THR A 33 9.422 12.115 5.422 1.00 0.00 C ATOM 0 H THR A 33 12.006 11.675 2.631 1.00 0.00 H new ATOM 0 HA THR A 33 12.060 12.620 5.417 1.00 0.00 H new ATOM 0 HB THR A 33 10.703 10.490 5.966 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.179 9.328 4.240 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.500 11.584 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.728 12.709 6.283 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.255 12.772 4.569 1.00 0.00 H new ATOM 546 N TRP A 34 13.438 10.580 6.175 1.00 0.00 N ATOM 547 CA TRP A 34 14.478 9.617 6.567 1.00 0.00 C ATOM 548 C TRP A 34 13.899 8.197 6.638 1.00 0.00 C ATOM 549 O TRP A 34 13.041 7.908 7.488 1.00 0.00 O ATOM 550 CB TRP A 34 15.080 9.995 7.943 1.00 0.00 C ATOM 551 CG TRP A 34 15.897 11.261 7.938 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.483 12.530 8.242 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.280 11.362 7.603 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.537 13.401 8.137 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.649 12.709 7.738 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.243 10.432 7.203 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.945 13.145 7.490 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.524 10.863 6.954 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.867 12.209 7.097 1.00 0.00 C ATOM 0 H TRP A 34 13.032 11.080 6.966 1.00 0.00 H new ATOM 0 HA TRP A 34 15.264 9.646 5.812 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.269 10.103 8.663 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.707 9.174 8.290 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.477 12.804 8.523 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.499 14.403 8.326 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.984 9.389 7.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 19.216 14.184 7.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.275 10.152 6.644 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.881 12.520 6.894 1.00 0.00 H new ATOM 570 N GLU A 35 14.351 7.322 5.729 1.00 0.00 N ATOM 571 CA GLU A 35 13.991 5.897 5.735 1.00 0.00 C ATOM 572 C GLU A 35 15.269 5.057 5.944 1.00 0.00 C ATOM 573 O GLU A 35 16.259 5.271 5.231 1.00 0.00 O ATOM 574 CB GLU A 35 13.320 5.484 4.407 1.00 0.00 C ATOM 575 CG GLU A 35 12.102 6.316 3.965 1.00 0.00 C ATOM 576 CD GLU A 35 11.017 6.488 5.048 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.492 5.471 5.553 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.670 7.641 5.394 1.00 0.00 O ATOM 0 H GLU A 35 14.978 7.583 4.968 1.00 0.00 H new ATOM 0 HA GLU A 35 13.282 5.722 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.070 5.530 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.009 4.443 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.446 7.302 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.653 5.844 3.091 1.00 0.00 H new ATOM 585 N PRO A 36 15.282 4.102 6.919 1.00 0.00 N ATOM 586 CA PRO A 36 16.446 3.207 7.145 1.00 0.00 C ATOM 587 C PRO A 36 16.699 2.232 5.981 1.00 0.00 C ATOM 588 O PRO A 36 15.796 1.950 5.195 1.00 0.00 O ATOM 589 CB PRO A 36 16.084 2.471 8.448 1.00 0.00 C ATOM 590 CG PRO A 36 14.591 2.534 8.533 1.00 0.00 C ATOM 591 CD PRO A 36 14.194 3.844 7.896 1.00 0.00 C ATOM 0 HA PRO A 36 17.381 3.764 7.213 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.434 1.439 8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.548 2.948 9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.134 1.692 8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.257 2.487 9.569 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.223 3.773 7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.121 4.643 8.634 1.00 0.00 H new ATOM 599 N GLU A 37 17.940 1.716 5.901 1.00 0.00 N ATOM 600 CA GLU A 37 18.382 0.804 4.820 1.00 0.00 C ATOM 601 C GLU A 37 17.597 -0.531 4.819 1.00 0.00 C ATOM 602 O GLU A 37 17.401 -1.146 3.766 1.00 0.00 O ATOM 603 CB GLU A 37 19.935 0.595 4.882 1.00 0.00 C ATOM 604 CG GLU A 37 20.546 0.256 6.269 1.00 0.00 C ATOM 605 CD GLU A 37 20.291 -1.187 6.737 1.00 0.00 C ATOM 606 OE1 GLU A 37 20.864 -2.119 6.136 1.00 0.00 O ATOM 607 OE2 GLU A 37 19.542 -1.405 7.712 1.00 0.00 O ATOM 0 H GLU A 37 18.669 1.918 6.585 1.00 0.00 H new ATOM 0 HA GLU A 37 18.152 1.276 3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.197 -0.207 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.414 1.502 4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.622 0.429 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.139 0.943 7.010 1.00 0.00 H new ATOM 614 N GLU A 38 17.122 -0.938 6.012 1.00 0.00 N ATOM 615 CA GLU A 38 16.260 -2.133 6.203 1.00 0.00 C ATOM 616 C GLU A 38 14.863 -1.922 5.578 1.00 0.00 C ATOM 617 O GLU A 38 14.138 -2.879 5.292 1.00 0.00 O ATOM 618 CB GLU A 38 16.128 -2.413 7.725 1.00 0.00 C ATOM 619 CG GLU A 38 15.529 -1.236 8.515 1.00 0.00 C ATOM 620 CD GLU A 38 15.477 -1.470 10.028 1.00 0.00 C ATOM 621 OE1 GLU A 38 16.502 -1.229 10.712 1.00 0.00 O ATOM 622 OE2 GLU A 38 14.421 -1.902 10.540 1.00 0.00 O ATOM 0 H GLU A 38 17.325 -0.445 6.882 1.00 0.00 H new ATOM 0 HA GLU A 38 16.719 -2.986 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.503 -3.294 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.112 -2.649 8.130 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.117 -0.340 8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.520 -1.043 8.152 1.00 0.00 H new ATOM 629 N ASN A 39 14.506 -0.650 5.380 1.00 0.00 N ATOM 630 CA ASN A 39 13.188 -0.219 4.897 1.00 0.00 C ATOM 631 C ASN A 39 13.271 0.195 3.405 1.00 0.00 C ATOM 632 O ASN A 39 12.250 0.469 2.769 1.00 0.00 O ATOM 633 CB ASN A 39 12.744 0.959 5.803 1.00 0.00 C ATOM 634 CG ASN A 39 11.289 1.369 5.678 1.00 0.00 C ATOM 635 OD1 ASN A 39 10.412 0.545 5.413 1.00 0.00 O ATOM 636 ND2 ASN A 39 11.026 2.645 5.880 1.00 0.00 N ATOM 0 H ASN A 39 15.140 0.129 5.555 1.00 0.00 H new ATOM 0 HA ASN A 39 12.457 -1.025 4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.939 0.689 6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.367 1.824 5.576 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.066 2.984 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.783 3.294 6.097 1.00 0.00 H new ATOM 643 N LEU A 40 14.507 0.242 2.855 1.00 0.00 N ATOM 644 CA LEU A 40 14.751 0.587 1.432 1.00 0.00 C ATOM 645 C LEU A 40 14.724 -0.662 0.559 1.00 0.00 C ATOM 646 O LEU A 40 15.277 -1.700 0.931 1.00 0.00 O ATOM 647 CB LEU A 40 16.114 1.324 1.245 1.00 0.00 C ATOM 648 CG LEU A 40 16.318 2.605 2.112 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.524 3.449 1.654 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.037 3.440 2.172 1.00 0.00 C ATOM 0 H LEU A 40 15.359 0.044 3.380 1.00 0.00 H new ATOM 0 HA LEU A 40 13.950 1.259 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 40 16.918 0.624 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.216 1.599 0.195 1.00 0.00 H new ATOM 0 HG LEU A 40 16.548 2.267 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.617 4.327 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.433 2.852 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 40 17.375 3.766 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.209 4.326 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.753 3.743 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.236 2.846 2.612 1.00 0.00 H new ATOM 662 N ASP A 41 14.072 -0.549 -0.607 1.00 0.00 N ATOM 663 CA ASP A 41 14.113 -1.578 -1.663 1.00 0.00 C ATOM 664 C ASP A 41 15.123 -1.153 -2.758 1.00 0.00 C ATOM 665 O ASP A 41 15.374 -1.887 -3.714 1.00 0.00 O ATOM 666 CB ASP A 41 12.690 -1.792 -2.253 1.00 0.00 C ATOM 667 CG ASP A 41 12.612 -2.972 -3.243 1.00 0.00 C ATOM 668 OD1 ASP A 41 12.762 -4.132 -2.801 1.00 0.00 O ATOM 669 OD2 ASP A 41 12.418 -2.752 -4.456 1.00 0.00 O ATOM 0 H ASP A 41 13.499 0.260 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 41 14.444 -2.527 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.988 -1.964 -1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.373 -0.880 -2.759 1.00 0.00 H new ATOM 674 N CYS A 42 15.708 0.053 -2.594 1.00 0.00 N ATOM 675 CA CYS A 42 16.693 0.626 -3.524 1.00 0.00 C ATOM 676 C CYS A 42 18.117 0.579 -2.909 1.00 0.00 C ATOM 677 O CYS A 42 18.509 1.497 -2.181 1.00 0.00 O ATOM 678 CB CYS A 42 16.281 2.083 -3.846 1.00 0.00 C ATOM 679 SG CYS A 42 16.089 3.139 -2.388 1.00 0.00 S ATOM 0 H CYS A 42 15.504 0.660 -1.800 1.00 0.00 H new ATOM 0 HA CYS A 42 16.713 0.042 -4.444 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.030 2.524 -4.504 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.341 2.070 -4.397 1.00 0.00 H new ATOM 0 HG CYS A 42 17.086 2.945 -1.577 1.00 0.00 H new ATOM 685 N PRO A 43 18.915 -0.510 -3.160 1.00 0.00 N ATOM 686 CA PRO A 43 20.321 -0.585 -2.705 1.00 0.00 C ATOM 687 C PRO A 43 21.302 0.063 -3.707 1.00 0.00 C ATOM 688 O PRO A 43 22.455 0.340 -3.368 1.00 0.00 O ATOM 689 CB PRO A 43 20.540 -2.104 -2.567 1.00 0.00 C ATOM 690 CG PRO A 43 19.697 -2.707 -3.654 1.00 0.00 C ATOM 691 CD PRO A 43 18.515 -1.769 -3.861 1.00 0.00 C ATOM 0 HA PRO A 43 20.505 -0.036 -1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.591 -2.366 -2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.234 -2.461 -1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.271 -2.815 -4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.356 -3.703 -3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.328 -1.592 -4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.599 -2.184 -3.441 1.00 0.00 H new ATOM 699 N GLU A 44 20.811 0.318 -4.938 1.00 0.00 N ATOM 700 CA GLU A 44 21.575 0.990 -6.002 1.00 0.00 C ATOM 701 C GLU A 44 21.766 2.465 -5.651 1.00 0.00 C ATOM 702 O GLU A 44 22.845 2.998 -5.817 1.00 0.00 O ATOM 703 CB GLU A 44 20.832 0.878 -7.354 1.00 0.00 C ATOM 704 CG GLU A 44 21.509 1.608 -8.537 1.00 0.00 C ATOM 705 CD GLU A 44 20.686 1.555 -9.832 1.00 0.00 C ATOM 706 OE1 GLU A 44 20.755 0.538 -10.553 1.00 0.00 O ATOM 707 OE2 GLU A 44 19.966 2.532 -10.138 1.00 0.00 O ATOM 0 H GLU A 44 19.865 0.060 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 44 22.547 0.505 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.730 -0.177 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.824 1.275 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 44 21.678 2.650 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 44 22.488 1.163 -8.718 1.00 0.00 H new ATOM 714 N LEU A 45 20.680 3.103 -5.173 1.00 0.00 N ATOM 715 CA LEU A 45 20.683 4.526 -4.760 1.00 0.00 C ATOM 716 C LEU A 45 21.593 4.744 -3.540 1.00 0.00 C ATOM 717 O LEU A 45 22.220 5.800 -3.408 1.00 0.00 O ATOM 718 CB LEU A 45 19.234 5.019 -4.473 1.00 0.00 C ATOM 719 CG LEU A 45 18.396 5.478 -5.712 1.00 0.00 C ATOM 720 CD1 LEU A 45 18.389 4.437 -6.851 1.00 0.00 C ATOM 721 CD2 LEU A 45 16.962 5.838 -5.278 1.00 0.00 C ATOM 0 H LEU A 45 19.774 2.649 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 45 21.084 5.117 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.693 4.216 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.289 5.851 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 45 18.880 6.367 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 45 17.792 4.811 -7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.410 4.260 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.960 3.503 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 45 16.388 6.156 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.488 4.965 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.995 6.648 -4.549 1.00 0.00 H new ATOM 733 N ILE A 46 21.651 3.727 -2.657 1.00 0.00 N ATOM 734 CA ILE A 46 22.567 3.723 -1.504 1.00 0.00 C ATOM 735 C ILE A 46 24.020 3.701 -2.010 1.00 0.00 C ATOM 736 O ILE A 46 24.798 4.600 -1.703 1.00 0.00 O ATOM 737 CB ILE A 46 22.313 2.487 -0.559 1.00 0.00 C ATOM 738 CG1 ILE A 46 20.842 2.486 -0.029 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.324 2.455 0.613 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.459 1.264 0.805 1.00 0.00 C ATOM 0 H ILE A 46 21.068 2.893 -2.724 1.00 0.00 H new ATOM 0 HA ILE A 46 22.384 4.626 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 46 22.463 1.582 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.688 3.381 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.165 2.554 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.121 1.591 1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.337 2.385 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.227 3.367 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.422 1.354 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.575 0.362 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.107 1.203 1.680 1.00 0.00 H new ATOM 752 N GLU A 47 24.335 2.692 -2.844 1.00 0.00 N ATOM 753 CA GLU A 47 25.678 2.491 -3.433 1.00 0.00 C ATOM 754 C GLU A 47 26.143 3.741 -4.210 1.00 0.00 C ATOM 755 O GLU A 47 27.268 4.198 -4.044 1.00 0.00 O ATOM 756 CB GLU A 47 25.648 1.266 -4.385 1.00 0.00 C ATOM 757 CG GLU A 47 26.944 1.016 -5.184 1.00 0.00 C ATOM 758 CD GLU A 47 26.858 -0.209 -6.119 1.00 0.00 C ATOM 759 OE1 GLU A 47 26.150 -0.132 -7.152 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.494 -1.245 -5.836 1.00 0.00 O ATOM 0 H GLU A 47 23.659 1.985 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 47 26.384 2.315 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.427 0.376 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.826 1.395 -5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.174 1.901 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.771 0.875 -4.488 1.00 0.00 H new ATOM 767 N ALA A 48 25.230 4.287 -5.022 1.00 0.00 N ATOM 768 CA ALA A 48 25.484 5.452 -5.894 1.00 0.00 C ATOM 769 C ALA A 48 25.846 6.690 -5.059 1.00 0.00 C ATOM 770 O ALA A 48 26.767 7.429 -5.396 1.00 0.00 O ATOM 771 CB ALA A 48 24.255 5.734 -6.771 1.00 0.00 C ATOM 0 H ALA A 48 24.277 3.930 -5.097 1.00 0.00 H new ATOM 0 HA ALA A 48 26.331 5.221 -6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.454 6.595 -7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.043 4.863 -7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.395 5.945 -6.135 1.00 0.00 H new ATOM 777 N PHE A 49 25.103 6.871 -3.955 1.00 0.00 N ATOM 778 CA PHE A 49 25.356 7.925 -2.957 1.00 0.00 C ATOM 779 C PHE A 49 26.762 7.763 -2.336 1.00 0.00 C ATOM 780 O PHE A 49 27.546 8.715 -2.318 1.00 0.00 O ATOM 781 CB PHE A 49 24.254 7.874 -1.863 1.00 0.00 C ATOM 782 CG PHE A 49 24.492 8.764 -0.645 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.424 10.151 -0.747 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.787 8.207 0.607 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.641 10.951 0.359 1.00 0.00 C ATOM 786 CE2 PHE A 49 25.001 9.012 1.709 1.00 0.00 C ATOM 787 CZ PHE A 49 24.929 10.382 1.585 1.00 0.00 C ATOM 0 H PHE A 49 24.301 6.284 -3.727 1.00 0.00 H new ATOM 0 HA PHE A 49 25.323 8.899 -3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.304 8.156 -2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.152 6.843 -1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.199 10.606 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.848 7.134 0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.585 12.025 0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.225 8.567 2.667 1.00 0.00 H new ATOM 0 HZ PHE A 49 25.098 11.012 2.446 1.00 0.00 H new ATOM 797 N LEU A 50 27.065 6.532 -1.871 1.00 0.00 N ATOM 798 CA LEU A 50 28.338 6.199 -1.184 1.00 0.00 C ATOM 799 C LEU A 50 29.551 6.419 -2.115 1.00 0.00 C ATOM 800 O LEU A 50 30.610 6.872 -1.675 1.00 0.00 O ATOM 801 CB LEU A 50 28.314 4.731 -0.678 1.00 0.00 C ATOM 802 CG LEU A 50 27.153 4.336 0.293 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.247 2.856 0.702 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.084 5.260 1.523 1.00 0.00 C ATOM 0 H LEU A 50 26.433 5.736 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 50 28.440 6.868 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.269 4.074 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.260 4.530 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 50 26.219 4.471 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.426 2.612 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.185 2.228 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.197 2.677 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.263 4.947 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.022 5.201 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 50 26.918 6.287 1.198 1.00 0.00 H new ATOM 816 N ASN A 51 29.356 6.110 -3.408 1.00 0.00 N ATOM 817 CA ASN A 51 30.391 6.254 -4.457 1.00 0.00 C ATOM 818 C ASN A 51 30.588 7.738 -4.816 1.00 0.00 C ATOM 819 O ASN A 51 31.719 8.197 -4.998 1.00 0.00 O ATOM 820 CB ASN A 51 30.016 5.433 -5.733 1.00 0.00 C ATOM 821 CG ASN A 51 30.152 3.901 -5.593 1.00 0.00 C ATOM 822 OD1 ASN A 51 29.919 3.358 -4.403 1.00 0.00 O flip ATOM 823 ND2 ASN A 51 30.458 3.206 -6.564 1.00 0.00 N flip ATOM 0 H ASN A 51 28.470 5.750 -3.762 1.00 0.00 H new ATOM 0 HA ASN A 51 31.328 5.860 -4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 51 28.987 5.667 -6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.648 5.764 -6.557 1.00 0.00 H new ATOM 0 HD21 ASN A 51 30.633 3.643 -7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 51 30.536 2.194 -6.462 1.00 0.00 H new ATOM 830 N SER A 52 29.471 8.486 -4.885 1.00 0.00 N ATOM 831 CA SER A 52 29.474 9.919 -5.247 1.00 0.00 C ATOM 832 C SER A 52 29.854 10.828 -4.061 1.00 0.00 C ATOM 833 O SER A 52 29.852 12.059 -4.207 1.00 0.00 O ATOM 834 CB SER A 52 28.096 10.321 -5.824 1.00 0.00 C ATOM 835 OG SER A 52 27.793 9.575 -6.993 1.00 0.00 O ATOM 0 H SER A 52 28.540 8.116 -4.692 1.00 0.00 H new ATOM 0 HA SER A 52 30.241 10.062 -6.008 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.322 10.157 -5.074 1.00 0.00 H new ATOM 0 HB3 SER A 52 28.093 11.386 -6.058 1.00 0.00 H new ATOM 0 HG SER A 52 27.396 8.716 -6.739 1.00 0.00 H new ATOM 841 N GLN A 53 30.170 10.236 -2.892 1.00 0.00 N ATOM 842 CA GLN A 53 30.741 10.987 -1.763 1.00 0.00 C ATOM 843 C GLN A 53 32.179 11.420 -2.119 1.00 0.00 C ATOM 844 O GLN A 53 32.507 12.614 -2.059 1.00 0.00 O ATOM 845 CB GLN A 53 30.719 10.153 -0.459 1.00 0.00 C ATOM 846 CG GLN A 53 29.301 9.854 0.082 1.00 0.00 C ATOM 847 CD GLN A 53 29.289 9.139 1.435 1.00 0.00 C ATOM 848 OE1 GLN A 53 30.186 9.325 2.260 1.00 0.00 O ATOM 849 NE2 GLN A 53 28.264 8.332 1.678 1.00 0.00 N ATOM 0 H GLN A 53 30.039 9.241 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 53 30.131 11.872 -1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 53 31.234 9.209 -0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 53 31.283 10.684 0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.753 10.792 0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.767 9.242 -0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.539 8.201 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.201 7.842 2.571 1.00 0.00 H new ATOM 858 N LYS A 54 33.034 10.443 -2.506 1.00 0.00 N ATOM 859 CA LYS A 54 34.430 10.709 -2.916 1.00 0.00 C ATOM 860 C LYS A 54 34.569 10.417 -4.427 1.00 0.00 C ATOM 861 O LYS A 54 34.734 9.237 -4.802 1.00 0.00 O ATOM 862 CB LYS A 54 35.464 9.865 -2.082 1.00 0.00 C ATOM 863 CG LYS A 54 35.427 10.069 -0.543 1.00 0.00 C ATOM 864 CD LYS A 54 34.264 9.307 0.147 1.00 0.00 C ATOM 865 CE LYS A 54 34.152 9.605 1.651 1.00 0.00 C ATOM 866 NZ LYS A 54 32.985 8.916 2.272 1.00 0.00 N ATOM 867 OXT LYS A 54 34.482 11.360 -5.245 1.00 0.00 O ATOM 0 H LYS A 54 32.776 9.457 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 54 34.658 11.756 -2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 54 35.294 8.809 -2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 54 36.467 10.104 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 54 36.374 9.738 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 54 35.335 11.133 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 54 33.325 9.572 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 54 34.406 8.236 0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 54 35.067 9.290 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 54 34.060 10.681 1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 33.093 8.914 3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 32.110 9.416 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 32.937 7.936 1.927 1.00 0.00 H new TER 881 LYS A 54 ATOM 882 N ALA B 1 8.081 0.778 -17.691 1.00 0.00 N ATOM 883 CA ALA B 1 9.051 1.371 -16.750 1.00 0.00 C ATOM 884 C ALA B 1 9.785 0.264 -15.993 1.00 0.00 C ATOM 885 O ALA B 1 9.155 -0.685 -15.500 1.00 0.00 O ATOM 886 CB ALA B 1 8.345 2.324 -15.775 1.00 0.00 C ATOM 0 H1 ALA B 1 7.182 1.298 -17.637 1.00 0.00 H new ATOM 0 H2 ALA B 1 8.457 0.836 -18.659 1.00 0.00 H new ATOM 0 H3 ALA B 1 7.920 -0.219 -17.441 1.00 0.00 H new ATOM 0 HA ALA B 1 9.781 1.950 -17.315 1.00 0.00 H new ATOM 0 HB1 ALA B 1 9.077 2.751 -15.089 1.00 0.00 H new ATOM 0 HB2 ALA B 1 7.862 3.125 -16.335 1.00 0.00 H new ATOM 0 HB3 ALA B 1 7.594 1.774 -15.208 1.00 0.00 H new ATOM 894 N ARG B 2 11.120 0.372 -15.919 1.00 0.00 N ATOM 895 CA ARG B 2 11.952 -0.551 -15.127 1.00 0.00 C ATOM 896 C ARG B 2 12.046 0.014 -13.696 1.00 0.00 C ATOM 897 O ARG B 2 13.043 0.632 -13.308 1.00 0.00 O ATOM 898 CB ARG B 2 13.349 -0.747 -15.813 1.00 0.00 C ATOM 899 CG ARG B 2 14.149 -2.034 -15.446 1.00 0.00 C ATOM 900 CD ARG B 2 14.627 -2.092 -13.983 1.00 0.00 C ATOM 901 NE ARG B 2 15.654 -3.131 -13.765 1.00 0.00 N ATOM 902 CZ ARG B 2 16.876 -2.910 -13.264 1.00 0.00 C ATOM 903 NH1 ARG B 2 17.270 -1.679 -12.954 1.00 0.00 N ATOM 904 NH2 ARG B 2 17.715 -3.917 -13.095 1.00 0.00 N ATOM 0 H ARG B 2 11.652 1.096 -16.402 1.00 0.00 H new ATOM 0 HA ARG B 2 11.509 -1.545 -15.074 1.00 0.00 H new ATOM 0 HB2 ARG B 2 13.199 -0.739 -16.893 1.00 0.00 H new ATOM 0 HB3 ARG B 2 13.968 0.116 -15.571 1.00 0.00 H new ATOM 0 HG2 ARG B 2 13.524 -2.905 -15.646 1.00 0.00 H new ATOM 0 HG3 ARG B 2 15.017 -2.107 -16.102 1.00 0.00 H new ATOM 0 HD2 ARG B 2 15.031 -1.121 -13.697 1.00 0.00 H new ATOM 0 HD3 ARG B 2 13.774 -2.286 -13.333 1.00 0.00 H new ATOM 0 HE ARG B 2 15.414 -4.090 -14.015 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.639 -0.890 -13.097 1.00 0.00 H new ATOM 0 HH12 ARG B 2 18.203 -1.523 -12.573 1.00 0.00 H new ATOM 0 HH21 ARG B 2 17.432 -4.864 -13.346 1.00 0.00 H new ATOM 0 HH22 ARG B 2 18.645 -3.747 -12.713 1.00 0.00 H new ATOM 918 N THR B 3 10.956 -0.157 -12.940 1.00 0.00 N ATOM 919 CA THR B 3 10.834 0.356 -11.574 1.00 0.00 C ATOM 920 C THR B 3 11.185 -0.748 -10.566 1.00 0.00 C ATOM 921 O THR B 3 10.391 -1.668 -10.334 1.00 0.00 O ATOM 922 CB THR B 3 9.392 0.903 -11.312 1.00 0.00 C ATOM 923 OG1 THR B 3 9.022 1.806 -12.368 1.00 0.00 O ATOM 924 CG2 THR B 3 9.283 1.639 -9.962 1.00 0.00 C ATOM 0 H THR B 3 10.129 -0.659 -13.263 1.00 0.00 H new ATOM 0 HA THR B 3 11.534 1.182 -11.449 1.00 0.00 H new ATOM 0 HB THR B 3 8.719 0.046 -11.282 1.00 0.00 H new ATOM 0 HG1 THR B 3 8.118 2.147 -12.205 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.264 2.000 -9.826 1.00 0.00 H new ATOM 0 HG22 THR B 3 9.537 0.954 -9.153 1.00 0.00 H new ATOM 0 HG23 THR B 3 9.972 2.484 -9.952 1.00 0.00 H new ATOM 932 N LYS B 4 12.415 -0.701 -10.046 1.00 0.00 N ATOM 933 CA LYS B 4 12.845 -1.511 -8.885 1.00 0.00 C ATOM 934 C LYS B 4 13.385 -0.595 -7.777 1.00 0.00 C ATOM 935 O LYS B 4 13.414 -0.976 -6.603 1.00 0.00 O ATOM 936 CB LYS B 4 13.913 -2.582 -9.276 1.00 0.00 C ATOM 937 CG LYS B 4 13.401 -3.763 -10.137 1.00 0.00 C ATOM 938 CD LYS B 4 12.181 -4.510 -9.522 1.00 0.00 C ATOM 939 CE LYS B 4 12.414 -5.034 -8.087 1.00 0.00 C ATOM 940 NZ LYS B 4 13.531 -6.013 -8.009 1.00 0.00 N ATOM 0 H LYS B 4 13.150 -0.099 -10.416 1.00 0.00 H new ATOM 0 HA LYS B 4 11.971 -2.049 -8.517 1.00 0.00 H new ATOM 0 HB2 LYS B 4 14.717 -2.084 -9.818 1.00 0.00 H new ATOM 0 HB3 LYS B 4 14.347 -2.986 -8.361 1.00 0.00 H new ATOM 0 HG2 LYS B 4 13.126 -3.388 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS B 4 14.215 -4.474 -10.282 1.00 0.00 H new ATOM 0 HD2 LYS B 4 11.323 -3.837 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS B 4 11.922 -5.351 -10.166 1.00 0.00 H new ATOM 0 HE2 LYS B 4 12.627 -4.193 -7.427 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.500 -5.502 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 13.645 -6.332 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 13.319 -6.830 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 14.411 -5.562 -8.330 1.00 0.00 H new ATOM 954 N GLN B 5 13.801 0.630 -8.161 1.00 0.00 N ATOM 955 CA GLN B 5 14.385 1.609 -7.230 1.00 0.00 C ATOM 956 C GLN B 5 13.273 2.316 -6.439 1.00 0.00 C ATOM 957 O GLN B 5 12.868 3.451 -6.745 1.00 0.00 O ATOM 958 CB GLN B 5 15.290 2.608 -7.996 1.00 0.00 C ATOM 959 CG GLN B 5 16.389 1.936 -8.852 1.00 0.00 C ATOM 960 CD GLN B 5 17.272 0.949 -8.072 1.00 0.00 C ATOM 961 OE1 GLN B 5 17.524 1.113 -6.874 1.00 0.00 O ATOM 962 NE2 GLN B 5 17.756 -0.083 -8.745 1.00 0.00 N ATOM 0 H GLN B 5 13.740 0.964 -9.123 1.00 0.00 H new ATOM 0 HA GLN B 5 15.017 1.091 -6.509 1.00 0.00 H new ATOM 0 HB2 GLN B 5 14.666 3.224 -8.644 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.763 3.278 -7.278 1.00 0.00 H new ATOM 0 HG2 GLN B 5 15.918 1.409 -9.681 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.022 2.710 -9.285 1.00 0.00 H new ATOM 0 HE21 GLN B 5 17.533 -0.197 -9.734 1.00 0.00 H new ATOM 0 HE22 GLN B 5 18.351 -0.765 -8.275 1.00 0.00 H new ATOM 971 N THR B 6 12.763 1.591 -5.438 1.00 0.00 N ATOM 972 CA THR B 6 11.657 2.018 -4.583 1.00 0.00 C ATOM 973 C THR B 6 12.070 1.921 -3.110 1.00 0.00 C ATOM 974 O THR B 6 13.184 1.495 -2.776 1.00 0.00 O ATOM 975 CB THR B 6 10.369 1.147 -4.853 1.00 0.00 C ATOM 976 OG1 THR B 6 10.679 -0.256 -4.752 1.00 0.00 O ATOM 977 CG2 THR B 6 9.749 1.430 -6.235 1.00 0.00 C ATOM 0 H THR B 6 13.120 0.667 -5.196 1.00 0.00 H new ATOM 0 HA THR B 6 11.417 3.055 -4.817 1.00 0.00 H new ATOM 0 HB THR B 6 9.639 1.424 -4.092 1.00 0.00 H new ATOM 0 HG1 THR B 6 9.870 -0.783 -4.921 1.00 0.00 H new ATOM 0 HG21 THR B 6 8.866 0.806 -6.372 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.464 2.480 -6.298 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.477 1.204 -7.014 1.00 0.00 H new ATOM 985 N ALA B 7 11.161 2.332 -2.240 1.00 0.00 N ATOM 986 CA ALA B 7 11.350 2.294 -0.798 1.00 0.00 C ATOM 987 C ALA B 7 9.994 2.103 -0.120 1.00 0.00 C ATOM 988 O ALA B 7 8.936 2.169 -0.763 1.00 0.00 O ATOM 989 CB ALA B 7 12.061 3.568 -0.311 1.00 0.00 C ATOM 0 H ALA B 7 10.255 2.708 -2.521 1.00 0.00 H new ATOM 0 HA ALA B 7 11.990 1.453 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.193 3.520 0.770 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.036 3.647 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.459 4.440 -0.565 1.00 0.00 H new ATOM 995 N ARG B 8 10.055 1.884 1.179 1.00 0.00 N ATOM 996 CA ARG B 8 8.905 1.549 2.019 1.00 0.00 C ATOM 997 C ARG B 8 8.903 2.524 3.206 1.00 0.00 C ATOM 998 O ARG B 8 9.856 3.297 3.370 1.00 0.00 O ATOM 999 CB ARG B 8 9.089 0.067 2.455 1.00 0.00 C ATOM 1000 CG ARG B 8 7.865 -0.669 3.028 1.00 0.00 C ATOM 1001 CD ARG B 8 8.168 -2.165 3.239 1.00 0.00 C ATOM 1002 NE ARG B 8 7.017 -2.910 3.770 1.00 0.00 N ATOM 1003 CZ ARG B 8 7.019 -4.218 4.057 1.00 0.00 C ATOM 1004 NH1 ARG B 8 8.100 -4.959 3.844 1.00 0.00 N ATOM 1005 NH2 ARG B 8 5.937 -4.781 4.554 1.00 0.00 N ATOM 0 H ARG B 8 10.929 1.934 1.702 1.00 0.00 H new ATOM 0 HA ARG B 8 7.946 1.643 1.510 1.00 0.00 H new ATOM 0 HB2 ARG B 8 9.444 -0.495 1.591 1.00 0.00 H new ATOM 0 HB3 ARG B 8 9.881 0.034 3.204 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.575 -0.216 3.976 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.019 -0.558 2.350 1.00 0.00 H new ATOM 0 HD2 ARG B 8 8.474 -2.606 2.291 1.00 0.00 H new ATOM 0 HD3 ARG B 8 9.009 -2.268 3.925 1.00 0.00 H new ATOM 0 HE ARG B 8 6.153 -2.392 3.932 1.00 0.00 H new ATOM 0 HH11 ARG B 8 8.942 -4.533 3.457 1.00 0.00 H new ATOM 0 HH12 ARG B 8 8.088 -5.954 4.067 1.00 0.00 H new ATOM 0 HH21 ARG B 8 5.101 -4.221 4.719 1.00 0.00 H new ATOM 0 HH22 ARG B 8 5.935 -5.777 4.774 1.00 0.00 H new HETATM 1019 N M3L B 9 7.835 2.519 4.022 1.00 0.00 N HETATM 1020 CA M3L B 9 7.751 3.366 5.242 1.00 0.00 C HETATM 1021 CB M3L B 9 6.774 4.538 5.030 1.00 0.00 C HETATM 1022 CG M3L B 9 7.288 5.582 4.020 1.00 0.00 C HETATM 1023 CD M3L B 9 6.464 6.878 4.054 1.00 0.00 C HETATM 1024 CE M3L B 9 7.060 7.988 3.160 1.00 0.00 C HETATM 1025 NZ M3L B 9 6.356 9.347 3.335 1.00 0.00 N HETATM 1026 C M3L B 9 7.395 2.549 6.482 1.00 0.00 C HETATM 1027 O M3L B 9 7.005 3.110 7.520 1.00 0.00 O HETATM 1028 CM1 M3L B 9 6.492 9.829 4.787 1.00 0.00 C HETATM 1029 CM2 M3L B 9 4.868 9.217 2.975 1.00 0.00 C HETATM 1030 CM3 M3L B 9 7.027 10.364 2.410 1.00 0.00 C HETATM 0 HM33 M3L B 9 8.081 10.455 2.673 1.00 0.00 H new HETATM 0 HM32 M3L B 9 6.938 10.030 1.376 1.00 0.00 H new HETATM 0 HM31 M3L B 9 6.541 11.333 2.521 1.00 0.00 H new HETATM 0 HM23 M3L B 9 4.771 8.894 1.939 1.00 0.00 H new HETATM 0 HM22 M3L B 9 4.398 8.483 3.629 1.00 0.00 H new HETATM 0 HM21 M3L B 9 4.377 10.182 3.101 1.00 0.00 H new HETATM 0 HM13 M3L B 9 6.034 9.101 5.457 1.00 0.00 H new HETATM 0 HM12 M3L B 9 7.547 9.938 5.037 1.00 0.00 H new HETATM 0 HM11 M3L B 9 5.991 10.790 4.900 1.00 0.00 H new HETATM 0 HG3 M3L B 9 8.331 5.811 4.236 1.00 0.00 H new HETATM 0 HG2 M3L B 9 7.256 5.160 3.016 1.00 0.00 H new HETATM 0 HE3 M3L B 9 8.119 8.102 3.390 1.00 0.00 H new HETATM 0 HE2 M3L B 9 6.992 7.682 2.116 1.00 0.00 H new HETATM 0 HD3 M3L B 9 5.445 6.664 3.730 1.00 0.00 H new HETATM 0 HD2 M3L B 9 6.403 7.238 5.081 1.00 0.00 H new HETATM 0 HB3 M3L B 9 5.817 4.147 4.683 1.00 0.00 H new HETATM 0 HB2 M3L B 9 6.591 5.027 5.987 1.00 0.00 H new HETATM 0 HA M3L B 9 8.741 3.786 5.420 1.00 0.00 H new ATOM 1050 N SER B 10 7.579 1.233 6.377 1.00 0.00 N ATOM 1051 CA SER B 10 7.391 0.297 7.483 1.00 0.00 C ATOM 1052 C SER B 10 7.978 -1.061 7.083 1.00 0.00 C ATOM 1053 O SER B 10 7.343 -1.808 6.337 1.00 0.00 O ATOM 1054 CB SER B 10 5.887 0.157 7.870 1.00 0.00 C ATOM 1055 OG SER B 10 5.712 -0.665 9.022 1.00 0.00 O ATOM 0 H SER B 10 7.867 0.782 5.509 1.00 0.00 H new ATOM 0 HA SER B 10 7.908 0.680 8.363 1.00 0.00 H new ATOM 0 HB2 SER B 10 5.467 1.145 8.061 1.00 0.00 H new ATOM 0 HB3 SER B 10 5.334 -0.268 7.032 1.00 0.00 H new ATOM 0 HG SER B 10 4.758 -0.729 9.236 1.00 0.00 H new ATOM 1061 N THR B 11 9.209 -1.348 7.572 1.00 0.00 N ATOM 1062 CA THR B 11 9.934 -2.618 7.343 1.00 0.00 C ATOM 1063 C THR B 11 9.046 -3.847 7.667 1.00 0.00 C ATOM 1064 O THR B 11 9.061 -4.857 6.948 1.00 0.00 O ATOM 1065 CB THR B 11 11.235 -2.647 8.225 1.00 0.00 C ATOM 1066 OG1 THR B 11 12.003 -1.450 8.003 1.00 0.00 O ATOM 1067 CG2 THR B 11 12.124 -3.872 7.934 1.00 0.00 C ATOM 0 H THR B 11 9.734 -0.689 8.147 1.00 0.00 H new ATOM 0 HA THR B 11 10.202 -2.672 6.288 1.00 0.00 H new ATOM 0 HB THR B 11 10.910 -2.710 9.264 1.00 0.00 H new ATOM 0 HG1 THR B 11 12.370 -1.134 8.855 1.00 0.00 H new ATOM 0 HG21 THR B 11 13.008 -3.840 8.571 1.00 0.00 H new ATOM 0 HG22 THR B 11 11.563 -4.785 8.136 1.00 0.00 H new ATOM 0 HG23 THR B 11 12.430 -3.859 6.888 1.00 0.00 H new ATOM 1075 N GLY B 12 8.249 -3.705 8.734 1.00 0.00 N ATOM 1076 CA GLY B 12 7.323 -4.733 9.184 1.00 0.00 C ATOM 1077 C GLY B 12 6.744 -4.366 10.540 1.00 0.00 C ATOM 1078 O GLY B 12 5.526 -4.219 10.692 1.00 0.00 O ATOM 0 H GLY B 12 8.234 -2.863 9.309 1.00 0.00 H new ATOM 0 HA2 GLY B 12 6.519 -4.851 8.458 1.00 0.00 H new ATOM 0 HA3 GLY B 12 7.837 -5.692 9.248 1.00 0.00 H new ATOM 1082 N GLY B 13 7.645 -4.168 11.516 1.00 0.00 N ATOM 1083 CA GLY B 13 7.275 -3.813 12.888 1.00 0.00 C ATOM 1084 C GLY B 13 8.223 -4.440 13.899 1.00 0.00 C ATOM 1085 O GLY B 13 7.830 -5.339 14.658 1.00 0.00 O ATOM 0 H GLY B 13 8.651 -4.251 11.371 1.00 0.00 H new ATOM 0 HA2 GLY B 13 7.286 -2.729 13.000 1.00 0.00 H new ATOM 0 HA3 GLY B 13 6.256 -4.144 13.089 1.00 0.00 H new ATOM 1089 N LYS B 14 9.494 -3.981 13.884 1.00 0.00 N ATOM 1090 CA LYS B 14 10.518 -4.437 14.842 1.00 0.00 C ATOM 1091 C LYS B 14 10.194 -3.874 16.246 1.00 0.00 C ATOM 1092 O LYS B 14 10.540 -2.728 16.565 1.00 0.00 O ATOM 1093 CB LYS B 14 11.947 -4.010 14.369 1.00 0.00 C ATOM 1094 CG LYS B 14 13.117 -4.576 15.216 1.00 0.00 C ATOM 1095 CD LYS B 14 13.144 -6.123 15.236 1.00 0.00 C ATOM 1096 CE LYS B 14 14.362 -6.704 15.976 1.00 0.00 C ATOM 1097 NZ LYS B 14 15.652 -6.378 15.306 1.00 0.00 N ATOM 0 H LYS B 14 9.834 -3.291 13.214 1.00 0.00 H new ATOM 0 HA LYS B 14 10.507 -5.526 14.893 1.00 0.00 H new ATOM 0 HB2 LYS B 14 12.081 -4.328 13.335 1.00 0.00 H new ATOM 0 HB3 LYS B 14 12.006 -2.922 14.378 1.00 0.00 H new ATOM 0 HG2 LYS B 14 14.061 -4.205 14.818 1.00 0.00 H new ATOM 0 HG3 LYS B 14 13.034 -4.205 16.237 1.00 0.00 H new ATOM 0 HD2 LYS B 14 12.233 -6.489 15.709 1.00 0.00 H new ATOM 0 HD3 LYS B 14 13.141 -6.492 14.210 1.00 0.00 H new ATOM 0 HE2 LYS B 14 14.380 -6.319 16.996 1.00 0.00 H new ATOM 0 HE3 LYS B 14 14.257 -7.787 16.046 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 16.426 -6.890 15.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 15.606 -6.662 14.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 15.826 -5.355 15.367 1.00 0.00 H new ATOM 1111 N ALA B 15 9.471 -4.676 17.047 1.00 0.00 N ATOM 1112 CA ALA B 15 9.006 -4.305 18.391 1.00 0.00 C ATOM 1113 C ALA B 15 9.568 -5.302 19.432 1.00 0.00 C ATOM 1114 O ALA B 15 10.551 -4.961 20.124 1.00 0.00 O ATOM 1115 CB ALA B 15 7.465 -4.260 18.408 1.00 0.00 C ATOM 1116 OXT ALA B 15 9.052 -6.438 19.521 1.00 0.00 O ATOM 0 H ALA B 15 9.189 -5.617 16.772 1.00 0.00 H new ATOM 0 HA ALA B 15 9.372 -3.313 18.655 1.00 0.00 H new ATOM 0 HB1 ALA B 15 7.120 -3.985 19.405 1.00 0.00 H new ATOM 0 HB2 ALA B 15 7.115 -3.522 17.686 1.00 0.00 H new ATOM 0 HB3 ALA B 15 7.069 -5.241 18.145 1.00 0.00 H new TER 1122 ALA B 15