USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 174:sc= -5.32! (180deg=-5.95!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 167:sc= -1.58! USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 82:sc= 0.107! USER MOD Single : A 22 ASN :FLIP amide:sc= -0.414 F(o=-1.7!,f=-0.41) USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.0258 (180deg=-0.259) USER MOD Single : A 29 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -29:sc= 0.721 USER MOD Single : A 41 ASN : amide:sc= -11.3! C(o=-11!,f=-11!) USER MOD Single : A 42 ASN :FLIP amide:sc= 0.608 F(o=-0.62,f=0.61) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -8:sc= 0.981 USER MOD Single : A 50 MET CE :methyl -123:sc= 0 (180deg=-1.06) USER MOD Single : A 52 THR OG1 : rot 78:sc= -1.03! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -2.413 8.248 3.516 1.00 0.00 N ATOM 2 CA ASP A 1 -2.379 7.286 4.636 1.00 0.00 C ATOM 3 C ASP A 1 -3.154 6.059 4.265 1.00 0.00 C ATOM 4 O ASP A 1 -3.944 5.509 5.043 1.00 0.00 O ATOM 5 CB ASP A 1 -2.906 7.951 5.915 1.00 0.00 C ATOM 6 CG ASP A 1 -2.034 9.102 6.387 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.846 8.864 6.692 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.541 10.242 6.452 1.00 0.00 O ATOM 0 H1 ASP A 1 -1.963 9.138 3.809 1.00 0.00 H new ATOM 0 H2 ASP A 1 -1.900 7.852 2.703 1.00 0.00 H new ATOM 0 H3 ASP A 1 -3.400 8.432 3.246 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.353 6.978 4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -3.917 8.317 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -2.972 7.204 6.706 1.00 0.00 H new ATOM 15 N PHE A 2 -2.838 5.610 3.045 1.00 0.00 N ATOM 16 CA PHE A 2 -3.375 4.405 2.418 1.00 0.00 C ATOM 17 C PHE A 2 -4.859 4.141 2.743 1.00 0.00 C ATOM 18 O PHE A 2 -5.308 2.991 2.824 1.00 0.00 O ATOM 19 CB PHE A 2 -2.450 3.219 2.770 1.00 0.00 C ATOM 20 CG PHE A 2 -2.274 2.904 4.237 1.00 0.00 C ATOM 21 CD1 PHE A 2 -1.474 3.696 5.046 1.00 0.00 C ATOM 22 CD2 PHE A 2 -2.870 1.784 4.783 1.00 0.00 C ATOM 23 CE1 PHE A 2 -1.281 3.372 6.378 1.00 0.00 C ATOM 24 CE2 PHE A 2 -2.687 1.452 6.104 1.00 0.00 C ATOM 25 CZ PHE A 2 -1.889 2.245 6.908 1.00 0.00 C ATOM 0 H PHE A 2 -2.173 6.099 2.446 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.380 4.547 1.337 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -2.837 2.328 2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -1.466 3.418 2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.997 4.573 4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.491 1.158 4.160 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.658 3.996 7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.165 0.574 6.513 1.00 0.00 H new ATOM 0 HZ PHE A 2 -1.740 1.987 7.946 1.00 0.00 H new ATOM 35 N CYS A 3 -5.608 5.239 2.921 1.00 0.00 N ATOM 36 CA CYS A 3 -7.034 5.188 3.234 1.00 0.00 C ATOM 37 C CYS A 3 -7.760 6.433 2.708 1.00 0.00 C ATOM 38 O CYS A 3 -8.950 6.358 2.386 1.00 0.00 O ATOM 39 CB CYS A 3 -7.249 5.015 4.739 1.00 0.00 C ATOM 40 SG CYS A 3 -6.551 3.461 5.396 1.00 0.00 S ATOM 0 H CYS A 3 -5.237 6.186 2.851 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.462 4.322 2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.797 5.858 5.262 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.318 5.043 4.952 1.00 0.00 H new ATOM 45 N LEU A 4 -7.039 7.573 2.596 1.00 0.00 N ATOM 46 CA LEU A 4 -7.622 8.821 2.077 1.00 0.00 C ATOM 47 C LEU A 4 -6.557 9.702 1.449 1.00 0.00 C ATOM 48 O LEU A 4 -6.762 10.299 0.388 1.00 0.00 O ATOM 49 CB LEU A 4 -8.363 9.615 3.170 1.00 0.00 C ATOM 50 CG LEU A 4 -7.801 9.483 4.588 1.00 0.00 C ATOM 51 CD1 LEU A 4 -7.936 10.797 5.344 1.00 0.00 C ATOM 52 CD2 LEU A 4 -8.543 8.376 5.315 1.00 0.00 C ATOM 0 H LEU A 4 -6.056 7.649 2.859 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.346 8.530 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.356 10.669 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.405 9.295 3.181 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.741 9.236 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.531 10.682 6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.386 11.577 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.988 11.074 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.148 8.276 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.604 8.620 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.410 7.436 4.779 1.00 0.00 H new ATOM 64 N GLU A 5 -5.428 9.768 2.135 1.00 0.00 N ATOM 65 CA GLU A 5 -4.278 10.547 1.733 1.00 0.00 C ATOM 66 C GLU A 5 -3.415 9.773 0.709 1.00 0.00 C ATOM 67 O GLU A 5 -3.591 8.559 0.568 1.00 0.00 O ATOM 68 CB GLU A 5 -3.489 10.862 2.997 1.00 0.00 C ATOM 69 CG GLU A 5 -4.096 11.958 3.882 1.00 0.00 C ATOM 70 CD GLU A 5 -3.997 13.373 3.311 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.440 13.550 2.205 1.00 0.00 O ATOM 72 OE2 GLU A 5 -4.480 14.309 3.981 1.00 0.00 O ATOM 0 H GLU A 5 -5.286 9.265 3.011 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.589 11.468 1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.396 9.950 3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.480 11.162 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.146 11.724 4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.600 11.938 4.852 1.00 0.00 H new ATOM 79 N PRO A 6 -2.486 10.449 -0.045 1.00 0.00 N ATOM 80 CA PRO A 6 -1.640 9.783 -1.069 1.00 0.00 C ATOM 81 C PRO A 6 -0.763 8.624 -0.530 1.00 0.00 C ATOM 82 O PRO A 6 0.223 8.864 0.175 1.00 0.00 O ATOM 83 CB PRO A 6 -0.759 10.920 -1.609 1.00 0.00 C ATOM 84 CG PRO A 6 -1.510 12.165 -1.300 1.00 0.00 C ATOM 85 CD PRO A 6 -2.202 11.903 0.005 1.00 0.00 C ATOM 0 HA PRO A 6 -2.265 9.300 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.221 10.921 -1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.592 10.815 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.838 13.020 -1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.229 12.395 -2.086 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.569 12.160 0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.117 12.488 0.100 1.00 0.00 H new ATOM 93 N PRO A 7 -1.132 7.335 -0.860 1.00 0.00 N ATOM 94 CA PRO A 7 -0.416 6.109 -0.435 1.00 0.00 C ATOM 95 C PRO A 7 1.111 6.240 -0.451 1.00 0.00 C ATOM 96 O PRO A 7 1.675 6.910 -1.320 1.00 0.00 O ATOM 97 CB PRO A 7 -0.865 5.051 -1.450 1.00 0.00 C ATOM 98 CG PRO A 7 -1.896 5.684 -2.313 1.00 0.00 C ATOM 99 CD PRO A 7 -2.305 6.971 -1.657 1.00 0.00 C ATOM 0 HA PRO A 7 -0.654 5.868 0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.021 4.707 -2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.272 4.177 -0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.499 5.871 -3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.755 5.024 -2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.544 7.739 -2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.189 6.841 -1.033 1.00 0.00 H new ATOM 107 N TYR A 8 1.759 5.617 0.541 1.00 0.00 N ATOM 108 CA TYR A 8 3.212 5.672 0.693 1.00 0.00 C ATOM 109 C TYR A 8 3.933 4.590 -0.122 1.00 0.00 C ATOM 110 O TYR A 8 3.756 3.391 0.115 1.00 0.00 O ATOM 111 CB TYR A 8 3.585 5.559 2.181 1.00 0.00 C ATOM 112 CG TYR A 8 3.198 6.771 3.020 1.00 0.00 C ATOM 113 CD1 TYR A 8 1.861 7.094 3.275 1.00 0.00 C ATOM 114 CD2 TYR A 8 4.180 7.597 3.554 1.00 0.00 C ATOM 115 CE1 TYR A 8 1.529 8.201 4.034 1.00 0.00 C ATOM 116 CE2 TYR A 8 3.851 8.702 4.314 1.00 0.00 C ATOM 117 CZ TYR A 8 2.526 9.000 4.551 1.00 0.00 C ATOM 118 OH TYR A 8 2.196 10.100 5.308 1.00 0.00 O ATOM 0 H TYR A 8 1.289 5.063 1.257 1.00 0.00 H new ATOM 0 HA TYR A 8 3.544 6.634 0.301 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.103 4.675 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.661 5.404 2.263 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.077 6.470 2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.220 7.370 3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.492 8.439 4.221 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.629 9.331 4.721 1.00 0.00 H new ATOM 0 HH TYR A 8 3.014 10.555 5.597 1.00 0.00 H new ATOM 128 N THR A 9 4.761 5.046 -1.083 1.00 0.00 N ATOM 129 CA THR A 9 5.556 4.168 -1.961 1.00 0.00 C ATOM 130 C THR A 9 6.713 4.982 -2.568 1.00 0.00 C ATOM 131 O THR A 9 6.575 5.579 -3.644 1.00 0.00 O ATOM 132 CB THR A 9 4.682 3.541 -3.083 1.00 0.00 C ATOM 133 OG1 THR A 9 3.494 2.992 -2.549 1.00 0.00 O ATOM 134 CG2 THR A 9 5.368 2.426 -3.855 1.00 0.00 C ATOM 0 H THR A 9 4.897 6.039 -1.272 1.00 0.00 H new ATOM 0 HA THR A 9 5.955 3.346 -1.367 1.00 0.00 H new ATOM 0 HB THR A 9 4.483 4.368 -3.764 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.869 2.793 -3.277 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.691 2.043 -4.619 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.269 2.813 -4.330 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.636 1.621 -3.171 1.00 0.00 H new ATOM 142 N GLY A 10 7.844 5.015 -1.855 1.00 0.00 N ATOM 143 CA GLY A 10 9.002 5.769 -2.322 1.00 0.00 C ATOM 144 C GLY A 10 10.287 5.504 -1.530 1.00 0.00 C ATOM 145 O GLY A 10 11.313 5.204 -2.146 1.00 0.00 O ATOM 0 H GLY A 10 7.978 4.534 -0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.179 5.529 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.772 6.833 -2.273 1.00 0.00 H new ATOM 149 N PRO A 11 10.289 5.632 -0.157 1.00 0.00 N ATOM 150 CA PRO A 11 11.502 5.423 0.682 1.00 0.00 C ATOM 151 C PRO A 11 12.273 4.122 0.407 1.00 0.00 C ATOM 152 O PRO A 11 13.495 4.082 0.580 1.00 0.00 O ATOM 153 CB PRO A 11 10.944 5.403 2.104 1.00 0.00 C ATOM 154 CG PRO A 11 9.739 6.272 2.040 1.00 0.00 C ATOM 155 CD PRO A 11 9.130 6.025 0.689 1.00 0.00 C ATOM 0 HA PRO A 11 12.236 6.202 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.688 4.391 2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.671 5.784 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 11 9.037 6.027 2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.006 7.322 2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.378 5.237 0.727 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.638 6.918 0.303 1.00 0.00 H new ATOM 163 N CYS A 12 11.560 3.069 -0.012 1.00 0.00 N ATOM 164 CA CYS A 12 12.193 1.776 -0.298 1.00 0.00 C ATOM 165 C CYS A 12 11.773 1.255 -1.679 1.00 0.00 C ATOM 166 O CYS A 12 10.722 1.641 -2.198 1.00 0.00 O ATOM 167 CB CYS A 12 11.819 0.751 0.779 1.00 0.00 C ATOM 168 SG CYS A 12 11.686 1.421 2.474 1.00 0.00 S ATOM 0 H CYS A 12 10.551 3.086 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 12 13.273 1.921 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.866 0.295 0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.565 -0.044 0.777 1.00 0.00 H new ATOM 173 N ARG A 13 12.614 0.370 -2.268 1.00 0.00 N ATOM 174 CA ARG A 13 12.383 -0.250 -3.606 1.00 0.00 C ATOM 175 C ARG A 13 11.925 0.769 -4.674 1.00 0.00 C ATOM 176 O ARG A 13 12.045 1.982 -4.472 1.00 0.00 O ATOM 177 CB ARG A 13 11.389 -1.433 -3.515 1.00 0.00 C ATOM 178 CG ARG A 13 11.950 -2.652 -2.792 1.00 0.00 C ATOM 179 CD ARG A 13 11.381 -3.966 -3.327 1.00 0.00 C ATOM 180 NE ARG A 13 9.946 -4.158 -3.040 1.00 0.00 N ATOM 181 CZ ARG A 13 9.286 -5.310 -3.244 1.00 0.00 C ATOM 182 NH1 ARG A 13 9.910 -6.384 -3.726 1.00 0.00 N ATOM 183 NH2 ARG A 13 7.994 -5.386 -2.961 1.00 0.00 N ATOM 0 H ARG A 13 13.481 0.061 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 13 13.350 -0.633 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.488 -1.100 -3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.092 -1.724 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.035 -2.662 -2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.730 -2.572 -1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.534 -4.004 -4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.942 -4.795 -2.896 1.00 0.00 H new ATOM 0 HE ARG A 13 9.423 -3.367 -2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.905 -6.340 -3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.393 -7.251 -3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.504 -4.572 -2.590 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.489 -6.259 -3.114 1.00 0.00 H new ATOM 197 N ALA A 14 11.411 0.264 -5.810 1.00 0.00 N ATOM 198 CA ALA A 14 10.946 1.109 -6.903 1.00 0.00 C ATOM 199 C ALA A 14 9.486 1.530 -6.705 1.00 0.00 C ATOM 200 O ALA A 14 9.216 2.666 -6.302 1.00 0.00 O ATOM 201 CB ALA A 14 11.152 0.404 -8.242 1.00 0.00 C ATOM 0 H ALA A 14 11.311 -0.736 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 14 11.541 2.023 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.800 1.046 -9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.212 0.192 -8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.591 -0.530 -8.251 1.00 0.00 H new ATOM 207 N ALA A 15 8.557 0.603 -6.981 1.00 0.00 N ATOM 208 CA ALA A 15 7.111 0.832 -6.840 1.00 0.00 C ATOM 209 C ALA A 15 6.331 -0.439 -7.168 1.00 0.00 C ATOM 210 O ALA A 15 6.318 -0.892 -8.319 1.00 0.00 O ATOM 211 CB ALA A 15 6.624 1.984 -7.728 1.00 0.00 C ATOM 0 H ALA A 15 8.790 -0.334 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 15 6.930 1.109 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.551 2.119 -7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.143 2.902 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.832 1.751 -8.772 1.00 0.00 H new ATOM 217 N ILE A 16 5.689 -1.013 -6.148 1.00 0.00 N ATOM 218 CA ILE A 16 4.903 -2.232 -6.310 1.00 0.00 C ATOM 219 C ILE A 16 3.420 -1.871 -6.124 1.00 0.00 C ATOM 220 O ILE A 16 3.104 -0.983 -5.323 1.00 0.00 O ATOM 221 CB ILE A 16 5.367 -3.332 -5.298 1.00 0.00 C ATOM 222 CG1 ILE A 16 6.905 -3.421 -5.237 1.00 0.00 C ATOM 223 CG2 ILE A 16 4.800 -4.704 -5.653 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.533 -2.502 -4.208 1.00 0.00 C ATOM 0 H ILE A 16 5.700 -0.648 -5.196 1.00 0.00 H new ATOM 0 HA ILE A 16 5.050 -2.648 -7.307 1.00 0.00 H new ATOM 0 HB ILE A 16 4.984 -3.037 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.191 -4.449 -5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.312 -3.182 -6.220 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.146 -5.440 -4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.711 -4.663 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.138 -4.991 -6.649 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.616 -2.622 -4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.279 -1.468 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.156 -2.754 -3.217 1.00 0.00 H new ATOM 236 N ILE A 17 2.525 -2.518 -6.893 1.00 0.00 N ATOM 237 CA ILE A 17 1.084 -2.206 -6.846 1.00 0.00 C ATOM 238 C ILE A 17 0.187 -3.373 -6.410 1.00 0.00 C ATOM 239 O ILE A 17 0.534 -4.553 -6.491 1.00 0.00 O ATOM 240 CB ILE A 17 0.632 -1.689 -8.256 1.00 0.00 C ATOM 241 CG1 ILE A 17 -0.708 -0.943 -8.232 1.00 0.00 C ATOM 242 CG2 ILE A 17 0.575 -2.810 -9.300 1.00 0.00 C ATOM 243 CD1 ILE A 17 -0.557 0.535 -7.995 1.00 0.00 C ATOM 0 H ILE A 17 2.772 -3.257 -7.551 1.00 0.00 H new ATOM 0 HA ILE A 17 0.960 -1.443 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 17 1.404 -0.976 -8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.223 -1.102 -9.180 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.339 -1.367 -7.451 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.257 -2.399 -10.258 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.563 -3.258 -9.407 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.135 -3.571 -8.978 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.540 1.005 -7.989 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.070 0.702 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.049 0.971 -8.789 1.00 0.00 H new ATOM 255 N ARG A 18 -1.004 -2.941 -5.997 1.00 0.00 N ATOM 256 CA ARG A 18 -2.136 -3.772 -5.555 1.00 0.00 C ATOM 257 C ARG A 18 -3.246 -2.821 -5.072 1.00 0.00 C ATOM 258 O ARG A 18 -3.438 -1.788 -5.701 1.00 0.00 O ATOM 259 CB ARG A 18 -1.767 -4.821 -4.489 1.00 0.00 C ATOM 260 CG ARG A 18 -2.633 -6.076 -4.533 1.00 0.00 C ATOM 261 CD ARG A 18 -2.230 -7.088 -3.458 1.00 0.00 C ATOM 262 NE ARG A 18 -0.890 -7.673 -3.677 1.00 0.00 N ATOM 263 CZ ARG A 18 -0.576 -8.554 -4.646 1.00 0.00 C ATOM 264 NH1 ARG A 18 -1.493 -8.978 -5.514 1.00 0.00 N ATOM 265 NH2 ARG A 18 0.666 -9.009 -4.741 1.00 0.00 N ATOM 0 H ARG A 18 -1.223 -1.945 -5.958 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.480 -4.371 -6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.723 -5.107 -4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.852 -4.367 -3.502 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.679 -5.800 -4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.551 -6.539 -5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.251 -6.600 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.968 -7.889 -3.429 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.144 -7.386 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.452 -8.635 -5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.237 -9.646 -6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.377 -8.692 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.910 -9.676 -5.473 1.00 0.00 H new ATOM 279 N TYR A 19 -4.000 -3.157 -4.004 1.00 0.00 N ATOM 280 CA TYR A 19 -5.112 -2.289 -3.571 1.00 0.00 C ATOM 281 C TYR A 19 -4.863 -1.448 -2.322 1.00 0.00 C ATOM 282 O TYR A 19 -4.426 -1.944 -1.274 1.00 0.00 O ATOM 283 CB TYR A 19 -6.400 -3.132 -3.411 1.00 0.00 C ATOM 284 CG TYR A 19 -7.003 -3.670 -4.714 1.00 0.00 C ATOM 285 CD1 TYR A 19 -6.223 -3.925 -5.846 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.366 -3.923 -4.803 1.00 0.00 C ATOM 287 CE1 TYR A 19 -6.779 -4.408 -7.012 1.00 0.00 C ATOM 288 CE2 TYR A 19 -8.932 -4.408 -5.970 1.00 0.00 C ATOM 289 CZ TYR A 19 -8.134 -4.648 -7.070 1.00 0.00 C ATOM 290 OH TYR A 19 -8.695 -5.130 -8.230 1.00 0.00 O ATOM 0 H TYR A 19 -3.865 -3.997 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.219 -1.552 -4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.182 -3.976 -2.756 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.151 -2.524 -2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.160 -3.739 -5.806 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.996 -3.738 -3.946 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.156 -4.597 -7.874 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.994 -4.598 -6.019 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.660 -5.246 -8.103 1.00 0.00 H new ATOM 300 N PHE A 20 -5.211 -0.150 -2.484 1.00 0.00 N ATOM 301 CA PHE A 20 -5.121 0.874 -1.442 1.00 0.00 C ATOM 302 C PHE A 20 -6.520 1.487 -1.243 1.00 0.00 C ATOM 303 O PHE A 20 -7.420 1.207 -2.027 1.00 0.00 O ATOM 304 CB PHE A 20 -4.024 1.904 -1.842 1.00 0.00 C ATOM 305 CG PHE A 20 -4.410 3.276 -2.329 1.00 0.00 C ATOM 306 CD1 PHE A 20 -4.920 4.228 -1.473 1.00 0.00 C ATOM 307 CD2 PHE A 20 -4.232 3.602 -3.648 1.00 0.00 C ATOM 308 CE1 PHE A 20 -5.264 5.481 -1.939 1.00 0.00 C ATOM 309 CE2 PHE A 20 -4.563 4.849 -4.125 1.00 0.00 C ATOM 310 CZ PHE A 20 -5.086 5.791 -3.271 1.00 0.00 C ATOM 0 H PHE A 20 -5.569 0.213 -3.367 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.817 0.462 -0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.377 2.040 -0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.418 1.443 -2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.052 3.991 -0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.824 2.866 -4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.672 6.217 -1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.412 5.087 -5.168 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.356 6.769 -3.641 1.00 0.00 H new ATOM 320 N TYR A 21 -6.704 2.301 -0.203 1.00 0.00 N ATOM 321 CA TYR A 21 -7.997 2.936 0.060 1.00 0.00 C ATOM 322 C TYR A 21 -7.905 4.442 -0.244 1.00 0.00 C ATOM 323 O TYR A 21 -7.088 5.139 0.354 1.00 0.00 O ATOM 324 CB TYR A 21 -8.406 2.696 1.532 1.00 0.00 C ATOM 325 CG TYR A 21 -9.830 3.103 1.905 1.00 0.00 C ATOM 326 CD1 TYR A 21 -10.904 2.921 1.036 1.00 0.00 C ATOM 327 CD2 TYR A 21 -10.087 3.667 3.145 1.00 0.00 C ATOM 328 CE1 TYR A 21 -12.186 3.291 1.400 1.00 0.00 C ATOM 329 CE2 TYR A 21 -11.362 4.036 3.515 1.00 0.00 C ATOM 330 CZ TYR A 21 -12.408 3.846 2.641 1.00 0.00 C ATOM 331 OH TYR A 21 -13.679 4.220 3.010 1.00 0.00 O ATOM 0 H TYR A 21 -5.975 2.536 0.471 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.759 2.498 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.282 1.636 1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.714 3.240 2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.733 2.484 0.063 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.271 3.820 3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.008 3.146 0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.540 4.472 4.487 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.172 3.435 3.327 1.00 0.00 H new ATOM 341 N ASN A 22 -8.728 4.932 -1.181 1.00 0.00 N ATOM 342 CA ASN A 22 -8.728 6.347 -1.549 1.00 0.00 C ATOM 343 C ASN A 22 -10.134 6.925 -1.296 1.00 0.00 C ATOM 344 O ASN A 22 -10.796 7.420 -2.215 1.00 0.00 O ATOM 345 CB ASN A 22 -8.295 6.504 -3.008 1.00 0.00 C ATOM 346 CG ASN A 22 -7.854 7.918 -3.356 1.00 0.00 C ATOM 347 OD1 ASN A 22 -8.435 8.472 -4.410 1.00 0.00 O flip ATOM 348 ND2 ASN A 22 -6.990 8.494 -2.694 1.00 0.00 N flip ATOM 0 H ASN A 22 -9.402 4.365 -1.696 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.015 6.902 -0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.476 5.815 -3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.122 6.218 -3.658 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.569 8.029 -1.890 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.695 9.436 -2.950 1.00 0.00 H new ATOM 355 N ALA A 23 -10.597 6.784 -0.032 1.00 0.00 N ATOM 356 CA ALA A 23 -11.954 7.194 0.439 1.00 0.00 C ATOM 357 C ALA A 23 -12.403 8.631 0.096 1.00 0.00 C ATOM 358 O ALA A 23 -13.364 9.149 0.681 1.00 0.00 O ATOM 359 CB ALA A 23 -12.032 6.991 1.944 1.00 0.00 C ATOM 0 H ALA A 23 -10.030 6.374 0.710 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.645 6.556 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.019 7.287 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.862 5.940 2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.272 7.600 2.433 1.00 0.00 H new ATOM 365 N LYS A 24 -11.715 9.250 -0.835 1.00 0.00 N ATOM 366 CA LYS A 24 -12.009 10.607 -1.264 1.00 0.00 C ATOM 367 C LYS A 24 -12.525 10.682 -2.708 1.00 0.00 C ATOM 368 O LYS A 24 -13.496 11.390 -2.986 1.00 0.00 O ATOM 369 CB LYS A 24 -10.742 11.443 -1.124 1.00 0.00 C ATOM 370 CG LYS A 24 -10.731 12.418 0.059 1.00 0.00 C ATOM 371 CD LYS A 24 -10.507 11.723 1.406 1.00 0.00 C ATOM 372 CE LYS A 24 -11.818 11.348 2.095 1.00 0.00 C ATOM 373 NZ LYS A 24 -12.597 12.546 2.523 1.00 0.00 N ATOM 0 H LYS A 24 -10.927 8.826 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.808 10.992 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.890 10.770 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.597 12.010 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.947 13.159 -0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.678 12.957 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.911 10.824 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.932 12.379 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.424 10.747 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.604 10.727 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.267 12.276 3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.946 13.272 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.122 12.927 1.710 1.00 0.00 H new ATOM 387 N ALA A 25 -11.846 9.973 -3.621 1.00 0.00 N ATOM 388 CA ALA A 25 -12.197 9.971 -5.048 1.00 0.00 C ATOM 389 C ALA A 25 -13.244 8.914 -5.391 1.00 0.00 C ATOM 390 O ALA A 25 -14.394 9.231 -5.708 1.00 0.00 O ATOM 391 CB ALA A 25 -10.935 9.750 -5.871 1.00 0.00 C ATOM 0 H ALA A 25 -11.042 9.388 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.639 10.938 -5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.188 9.747 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.224 10.551 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.488 8.793 -5.602 1.00 0.00 H new ATOM 397 N GLY A 26 -12.811 7.667 -5.312 1.00 0.00 N ATOM 398 CA GLY A 26 -13.656 6.519 -5.592 1.00 0.00 C ATOM 399 C GLY A 26 -13.396 5.429 -4.583 1.00 0.00 C ATOM 400 O GLY A 26 -13.859 4.294 -4.727 1.00 0.00 O ATOM 0 H GLY A 26 -11.856 7.421 -5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.705 6.813 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.459 6.149 -6.598 1.00 0.00 H new ATOM 404 N LEU A 27 -12.638 5.816 -3.543 1.00 0.00 N ATOM 405 CA LEU A 27 -12.244 4.960 -2.424 1.00 0.00 C ATOM 406 C LEU A 27 -11.220 3.896 -2.843 1.00 0.00 C ATOM 407 O LEU A 27 -10.159 4.277 -3.337 1.00 0.00 O ATOM 408 CB LEU A 27 -13.475 4.442 -1.663 1.00 0.00 C ATOM 409 CG LEU A 27 -14.297 5.577 -1.023 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.419 6.029 -1.948 1.00 0.00 C ATOM 411 CD2 LEU A 27 -14.854 5.148 0.324 1.00 0.00 C ATOM 0 H LEU A 27 -12.274 6.765 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.701 5.559 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.110 3.880 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.152 3.749 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.629 6.423 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.983 6.831 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.995 6.391 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.083 5.189 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.431 5.966 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.499 4.280 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.032 4.890 0.992 1.00 0.00 H new ATOM 423 N CYS A 28 -11.490 2.595 -2.645 1.00 0.00 N ATOM 424 CA CYS A 28 -10.532 1.536 -2.997 1.00 0.00 C ATOM 425 C CYS A 28 -9.812 1.794 -4.323 1.00 0.00 C ATOM 426 O CYS A 28 -10.414 1.832 -5.401 1.00 0.00 O ATOM 427 CB CYS A 28 -11.219 0.192 -2.997 1.00 0.00 C ATOM 428 SG CYS A 28 -11.929 -0.267 -1.384 1.00 0.00 S ATOM 0 H CYS A 28 -12.363 2.253 -2.244 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.756 1.538 -2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.012 0.199 -3.744 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.503 -0.572 -3.300 1.00 0.00 H new ATOM 433 N GLN A 29 -8.514 2.027 -4.171 1.00 0.00 N ATOM 434 CA GLN A 29 -7.608 2.360 -5.257 1.00 0.00 C ATOM 435 C GLN A 29 -6.433 1.352 -5.363 1.00 0.00 C ATOM 436 O GLN A 29 -6.631 0.160 -5.111 1.00 0.00 O ATOM 437 CB GLN A 29 -7.171 3.820 -5.046 1.00 0.00 C ATOM 438 CG GLN A 29 -7.426 4.726 -6.240 1.00 0.00 C ATOM 439 CD GLN A 29 -6.450 4.510 -7.386 1.00 0.00 C ATOM 440 OE1 GLN A 29 -5.242 4.697 -7.235 1.00 0.00 O ATOM 441 NE2 GLN A 29 -6.974 4.115 -8.541 1.00 0.00 N ATOM 0 H GLN A 29 -8.052 1.988 -3.262 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.103 2.277 -6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.696 4.223 -4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.107 3.839 -4.811 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.441 4.560 -6.602 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.369 5.765 -5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.981 3.972 -8.622 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.370 3.955 -9.347 1.00 0.00 H new ATOM 450 N THR A 30 -5.236 1.817 -5.783 1.00 0.00 N ATOM 451 CA THR A 30 -4.055 0.924 -5.985 1.00 0.00 C ATOM 452 C THR A 30 -2.693 1.565 -5.629 1.00 0.00 C ATOM 453 O THR A 30 -2.515 2.774 -5.792 1.00 0.00 O ATOM 454 CB THR A 30 -3.993 0.469 -7.456 1.00 0.00 C ATOM 455 OG1 THR A 30 -4.057 1.582 -8.332 1.00 0.00 O ATOM 456 CG2 THR A 30 -5.092 -0.496 -7.859 1.00 0.00 C ATOM 0 H THR A 30 -5.054 2.799 -5.990 1.00 0.00 H new ATOM 0 HA THR A 30 -4.207 0.090 -5.300 1.00 0.00 H new ATOM 0 HB THR A 30 -3.040 -0.054 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.014 1.271 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.973 -0.765 -8.909 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.030 -1.395 -7.245 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.063 -0.023 -7.713 1.00 0.00 H new ATOM 464 N PHE A 31 -1.714 0.710 -5.192 1.00 0.00 N ATOM 465 CA PHE A 31 -0.307 1.158 -4.845 1.00 0.00 C ATOM 466 C PHE A 31 0.534 0.065 -4.124 1.00 0.00 C ATOM 467 O PHE A 31 1.720 0.276 -3.871 1.00 0.00 O ATOM 468 CB PHE A 31 -0.310 2.367 -3.845 1.00 0.00 C ATOM 469 CG PHE A 31 -0.276 1.921 -2.397 1.00 0.00 C ATOM 470 CD1 PHE A 31 -1.295 1.141 -1.891 1.00 0.00 C ATOM 471 CD2 PHE A 31 0.785 2.243 -1.568 1.00 0.00 C ATOM 472 CE1 PHE A 31 -1.275 0.688 -0.606 1.00 0.00 C ATOM 473 CE2 PHE A 31 0.812 1.801 -0.260 1.00 0.00 C ATOM 474 CZ PHE A 31 -0.220 1.019 0.223 1.00 0.00 C ATOM 0 H PHE A 31 -1.865 -0.291 -5.069 1.00 0.00 H new ATOM 0 HA PHE A 31 0.125 1.410 -5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.552 3.003 -4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.200 2.973 -4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.128 0.883 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.598 2.845 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.081 0.072 -0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.638 2.066 0.384 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.202 0.668 1.244 1.00 0.00 H new ATOM 484 N VAL A 32 -0.161 -0.983 -3.653 1.00 0.00 N ATOM 485 CA VAL A 32 0.372 -2.055 -2.749 1.00 0.00 C ATOM 486 C VAL A 32 1.378 -1.524 -1.721 1.00 0.00 C ATOM 487 O VAL A 32 1.061 -1.474 -0.529 1.00 0.00 O ATOM 488 CB VAL A 32 0.886 -3.398 -3.394 1.00 0.00 C ATOM 489 CG1 VAL A 32 2.347 -3.392 -3.808 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.657 -4.560 -2.426 1.00 0.00 C ATOM 0 H VAL A 32 -1.143 -1.126 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.547 -2.361 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 32 0.307 -3.513 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.607 -4.358 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.513 -2.608 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.972 -3.206 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.014 -5.486 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.201 -4.375 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.408 -4.649 -2.210 1.00 0.00 H new ATOM 500 N TYR A 33 2.591 -1.182 -2.192 1.00 0.00 N ATOM 501 CA TYR A 33 3.679 -0.714 -1.325 1.00 0.00 C ATOM 502 C TYR A 33 5.014 -0.554 -2.079 1.00 0.00 C ATOM 503 O TYR A 33 5.086 -0.792 -3.292 1.00 0.00 O ATOM 504 CB TYR A 33 3.747 -1.720 -0.169 1.00 0.00 C ATOM 505 CG TYR A 33 4.961 -2.556 -0.016 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.128 -3.690 -0.769 1.00 0.00 C ATOM 507 CD2 TYR A 33 5.877 -2.251 0.933 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.215 -4.509 -0.572 1.00 0.00 C ATOM 509 CE2 TYR A 33 6.949 -3.048 1.158 1.00 0.00 C ATOM 510 CZ TYR A 33 7.128 -4.186 0.405 1.00 0.00 C ATOM 511 OH TYR A 33 8.216 -4.999 0.630 1.00 0.00 O ATOM 0 H TYR A 33 2.840 -1.223 -3.180 1.00 0.00 H new ATOM 0 HA TYR A 33 3.484 0.290 -0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.610 -1.165 0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.895 -2.392 -0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.398 -3.942 -1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.751 -1.355 1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.350 -5.394 -1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.662 -2.791 1.927 1.00 0.00 H new ATOM 0 HH TYR A 33 8.760 -4.624 1.354 1.00 0.00 H new ATOM 521 N GLY A 34 6.063 -0.143 -1.339 1.00 0.00 N ATOM 522 CA GLY A 34 7.368 0.051 -1.925 1.00 0.00 C ATOM 523 C GLY A 34 8.533 -0.322 -1.015 1.00 0.00 C ATOM 524 O GLY A 34 9.184 0.560 -0.463 1.00 0.00 O ATOM 0 H GLY A 34 6.014 0.056 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.433 -0.540 -2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.470 1.097 -2.214 1.00 0.00 H new ATOM 528 N GLY A 35 8.820 -1.636 -0.914 1.00 0.00 N ATOM 529 CA GLY A 35 9.962 -2.157 -0.134 1.00 0.00 C ATOM 530 C GLY A 35 9.945 -1.964 1.386 1.00 0.00 C ATOM 531 O GLY A 35 10.504 -2.796 2.107 1.00 0.00 O ATOM 0 H GLY A 35 8.269 -2.364 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.043 -3.226 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.869 -1.691 -0.519 1.00 0.00 H new ATOM 535 N CYS A 36 9.350 -0.869 1.875 1.00 0.00 N ATOM 536 CA CYS A 36 9.314 -0.564 3.321 1.00 0.00 C ATOM 537 C CYS A 36 8.441 -1.570 4.113 1.00 0.00 C ATOM 538 O CYS A 36 8.314 -2.727 3.705 1.00 0.00 O ATOM 539 CB CYS A 36 8.829 0.882 3.509 1.00 0.00 C ATOM 540 SG CYS A 36 9.779 2.134 2.569 1.00 0.00 S ATOM 0 H CYS A 36 8.884 -0.174 1.292 1.00 0.00 H new ATOM 0 HA CYS A 36 10.321 -0.665 3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.782 0.941 3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.874 1.131 4.569 1.00 0.00 H new ATOM 545 N ARG A 37 7.845 -1.133 5.248 1.00 0.00 N ATOM 546 CA ARG A 37 6.991 -2.001 6.083 1.00 0.00 C ATOM 547 C ARG A 37 5.603 -2.196 5.457 1.00 0.00 C ATOM 548 O ARG A 37 4.585 -2.304 6.153 1.00 0.00 O ATOM 549 CB ARG A 37 6.891 -1.447 7.525 1.00 0.00 C ATOM 550 CG ARG A 37 6.294 -0.042 7.638 1.00 0.00 C ATOM 551 CD ARG A 37 6.121 0.389 9.090 1.00 0.00 C ATOM 552 NE ARG A 37 5.088 -0.394 9.785 1.00 0.00 N ATOM 553 CZ ARG A 37 4.734 -0.223 11.068 1.00 0.00 C ATOM 554 NH1 ARG A 37 5.317 0.704 11.826 1.00 0.00 N ATOM 555 NH2 ARG A 37 3.787 -0.988 11.592 1.00 0.00 N ATOM 0 H ARG A 37 7.942 -0.182 5.604 1.00 0.00 H new ATOM 0 HA ARG A 37 7.460 -2.984 6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.286 -2.131 8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.888 -1.438 7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.940 0.669 7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.328 -0.017 7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.070 0.281 9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.857 1.446 9.124 1.00 0.00 H new ATOM 0 HE ARG A 37 4.606 -1.119 9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.046 1.299 11.433 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.034 0.819 12.799 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.333 -1.701 11.021 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.512 -0.864 12.566 1.00 0.00 H new ATOM 569 N ALA A 38 5.594 -2.222 4.114 1.00 0.00 N ATOM 570 CA ALA A 38 4.387 -2.373 3.284 1.00 0.00 C ATOM 571 C ALA A 38 3.271 -1.381 3.688 1.00 0.00 C ATOM 572 O ALA A 38 2.096 -1.566 3.354 1.00 0.00 O ATOM 573 CB ALA A 38 3.901 -3.827 3.273 1.00 0.00 C ATOM 0 H ALA A 38 6.447 -2.136 3.562 1.00 0.00 H new ATOM 0 HA ALA A 38 4.661 -2.117 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.009 -3.908 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.684 -4.469 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.665 -4.139 4.290 1.00 0.00 H new ATOM 579 N LYS A 39 3.688 -0.317 4.426 1.00 0.00 N ATOM 580 CA LYS A 39 2.830 0.761 4.946 1.00 0.00 C ATOM 581 C LYS A 39 1.488 0.235 5.502 1.00 0.00 C ATOM 582 O LYS A 39 0.451 0.904 5.428 1.00 0.00 O ATOM 583 CB LYS A 39 2.658 1.854 3.868 1.00 0.00 C ATOM 584 CG LYS A 39 2.066 3.178 4.370 1.00 0.00 C ATOM 585 CD LYS A 39 3.037 3.938 5.271 1.00 0.00 C ATOM 586 CE LYS A 39 2.360 5.113 5.959 1.00 0.00 C ATOM 587 NZ LYS A 39 3.301 5.859 6.838 1.00 0.00 N ATOM 0 H LYS A 39 4.668 -0.190 4.679 1.00 0.00 H new ATOM 0 HA LYS A 39 3.324 1.215 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.631 2.056 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.017 1.464 3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.800 3.802 3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.145 2.978 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.443 3.261 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.878 4.298 4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.953 5.789 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.519 4.752 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.801 6.652 7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.670 5.221 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.090 6.226 6.269 1.00 0.00 H new ATOM 601 N SER A 40 1.542 -0.981 6.088 1.00 0.00 N ATOM 602 CA SER A 40 0.368 -1.655 6.705 1.00 0.00 C ATOM 603 C SER A 40 -0.834 -1.842 5.736 1.00 0.00 C ATOM 604 O SER A 40 -1.874 -2.376 6.139 1.00 0.00 O ATOM 605 CB SER A 40 -0.073 -0.890 7.967 1.00 0.00 C ATOM 606 OG SER A 40 -1.098 -1.580 8.665 1.00 0.00 O ATOM 0 H SER A 40 2.401 -1.528 6.149 1.00 0.00 H new ATOM 0 HA SER A 40 0.695 -2.660 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.784 -0.748 8.625 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.427 0.102 7.687 1.00 0.00 H new ATOM 0 HG SER A 40 -1.629 -2.105 8.031 1.00 0.00 H new ATOM 612 N ASN A 41 -0.675 -1.429 4.470 1.00 0.00 N ATOM 613 CA ASN A 41 -1.717 -1.570 3.460 1.00 0.00 C ATOM 614 C ASN A 41 -1.292 -2.642 2.473 1.00 0.00 C ATOM 615 O ASN A 41 -0.104 -2.733 2.143 1.00 0.00 O ATOM 616 CB ASN A 41 -1.916 -0.259 2.702 1.00 0.00 C ATOM 617 CG ASN A 41 -3.173 -0.240 1.832 1.00 0.00 C ATOM 618 OD1 ASN A 41 -3.404 -1.146 1.031 1.00 0.00 O ATOM 619 ND2 ASN A 41 -3.971 0.809 1.961 1.00 0.00 N ATOM 0 H ASN A 41 0.179 -0.990 4.125 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.652 -1.839 3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.968 0.561 3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.045 -0.078 2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.810 0.886 1.386 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.747 1.540 2.636 1.00 0.00 H new ATOM 626 N ASN A 42 -2.257 -3.439 1.992 1.00 0.00 N ATOM 627 CA ASN A 42 -1.985 -4.509 1.027 1.00 0.00 C ATOM 628 C ASN A 42 -3.269 -5.315 0.790 1.00 0.00 C ATOM 629 O ASN A 42 -3.389 -6.467 1.227 1.00 0.00 O ATOM 630 CB ASN A 42 -0.813 -5.402 1.533 1.00 0.00 C ATOM 631 CG ASN A 42 -0.405 -6.514 0.575 1.00 0.00 C ATOM 632 OD1 ASN A 42 0.848 -6.478 0.137 1.00 0.00 O flip ATOM 633 ND2 ASN A 42 -1.199 -7.391 0.239 1.00 0.00 N flip ATOM 0 H ASN A 42 -3.238 -3.360 2.259 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.674 -4.084 0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.053 -4.768 1.724 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.098 -5.848 2.486 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.153 -7.381 0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.903 -8.129 -0.400 1.00 0.00 H new ATOM 640 N PHE A 43 -4.233 -4.696 0.092 1.00 0.00 N ATOM 641 CA PHE A 43 -5.494 -5.363 -0.202 1.00 0.00 C ATOM 642 C PHE A 43 -5.494 -5.881 -1.634 1.00 0.00 C ATOM 643 O PHE A 43 -4.668 -5.470 -2.450 1.00 0.00 O ATOM 644 CB PHE A 43 -6.732 -4.475 -0.002 1.00 0.00 C ATOM 645 CG PHE A 43 -6.585 -3.208 0.812 1.00 0.00 C ATOM 646 CD1 PHE A 43 -5.981 -3.205 2.062 1.00 0.00 C ATOM 647 CD2 PHE A 43 -7.096 -2.017 0.320 1.00 0.00 C ATOM 648 CE1 PHE A 43 -5.886 -2.040 2.793 1.00 0.00 C ATOM 649 CE2 PHE A 43 -7.010 -0.853 1.055 1.00 0.00 C ATOM 650 CZ PHE A 43 -6.403 -0.864 2.292 1.00 0.00 C ATOM 0 H PHE A 43 -4.158 -3.746 -0.272 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.565 -6.182 0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.102 -4.195 -0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.505 -5.084 0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.582 -4.124 2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.568 -2.000 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.406 -2.048 3.760 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.418 0.066 0.661 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.332 0.047 2.868 1.00 0.00 H new ATOM 660 N LYS A 44 -6.423 -6.794 -1.920 1.00 0.00 N ATOM 661 CA LYS A 44 -6.548 -7.400 -3.235 1.00 0.00 C ATOM 662 C LYS A 44 -8.009 -7.455 -3.727 1.00 0.00 C ATOM 663 O LYS A 44 -8.277 -7.973 -4.817 1.00 0.00 O ATOM 664 CB LYS A 44 -5.946 -8.814 -3.200 1.00 0.00 C ATOM 665 CG LYS A 44 -6.364 -9.683 -2.012 1.00 0.00 C ATOM 666 CD LYS A 44 -5.715 -11.056 -2.070 1.00 0.00 C ATOM 667 CE LYS A 44 -6.129 -11.919 -0.890 1.00 0.00 C ATOM 668 NZ LYS A 44 -5.498 -13.267 -0.938 1.00 0.00 N ATOM 0 H LYS A 44 -7.107 -7.130 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.003 -6.775 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.223 -9.330 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.860 -8.727 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.086 -9.187 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.448 -9.792 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.993 -11.552 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.631 -10.947 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.851 -11.421 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.214 -12.026 -0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.806 -13.824 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.783 -13.753 -1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.463 -13.167 -0.920 1.00 0.00 H new ATOM 682 N SER A 45 -8.946 -6.928 -2.916 1.00 0.00 N ATOM 683 CA SER A 45 -10.386 -6.929 -3.258 1.00 0.00 C ATOM 684 C SER A 45 -11.162 -5.917 -2.399 1.00 0.00 C ATOM 685 O SER A 45 -10.559 -5.091 -1.708 1.00 0.00 O ATOM 686 CB SER A 45 -10.986 -8.341 -3.070 1.00 0.00 C ATOM 687 OG SER A 45 -10.408 -9.276 -3.965 1.00 0.00 O ATOM 0 H SER A 45 -8.733 -6.495 -2.017 1.00 0.00 H new ATOM 0 HA SER A 45 -10.478 -6.637 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.826 -8.672 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.064 -8.303 -3.228 1.00 0.00 H new ATOM 0 HG SER A 45 -9.841 -8.804 -4.610 1.00 0.00 H new ATOM 693 N ALA A 46 -12.509 -5.997 -2.450 1.00 0.00 N ATOM 694 CA ALA A 46 -13.389 -5.111 -1.687 1.00 0.00 C ATOM 695 C ALA A 46 -13.449 -5.503 -0.210 1.00 0.00 C ATOM 696 O ALA A 46 -13.382 -4.643 0.673 1.00 0.00 O ATOM 697 CB ALA A 46 -14.785 -5.096 -2.296 1.00 0.00 C ATOM 0 H ALA A 46 -13.008 -6.679 -3.022 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.971 -4.106 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.427 -4.432 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.729 -4.740 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.199 -6.104 -2.282 1.00 0.00 H new ATOM 703 N GLU A 47 -13.548 -6.815 0.039 1.00 0.00 N ATOM 704 CA GLU A 47 -13.594 -7.377 1.390 1.00 0.00 C ATOM 705 C GLU A 47 -12.302 -7.068 2.158 1.00 0.00 C ATOM 706 O GLU A 47 -12.323 -6.772 3.355 1.00 0.00 O ATOM 707 CB GLU A 47 -13.857 -8.892 1.320 1.00 0.00 C ATOM 708 CG GLU A 47 -12.891 -9.683 0.434 1.00 0.00 C ATOM 709 CD GLU A 47 -13.199 -11.170 0.405 1.00 0.00 C ATOM 710 OE1 GLU A 47 -13.121 -11.818 1.471 1.00 0.00 O ATOM 711 OE2 GLU A 47 -13.522 -11.686 -0.686 1.00 0.00 O ATOM 0 H GLU A 47 -13.599 -7.519 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.414 -6.911 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.813 -9.299 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.872 -9.052 0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.932 -9.289 -0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.873 -9.535 0.793 1.00 0.00 H new ATOM 718 N ASP A 48 -11.199 -7.099 1.408 1.00 0.00 N ATOM 719 CA ASP A 48 -9.855 -6.797 1.893 1.00 0.00 C ATOM 720 C ASP A 48 -9.766 -5.334 2.325 1.00 0.00 C ATOM 721 O ASP A 48 -9.463 -4.999 3.467 1.00 0.00 O ATOM 722 CB ASP A 48 -8.889 -7.027 0.749 1.00 0.00 C ATOM 723 CG ASP A 48 -8.705 -8.492 0.393 1.00 0.00 C ATOM 724 OD1 ASP A 48 -8.243 -9.263 1.258 1.00 0.00 O ATOM 725 OD2 ASP A 48 -9.030 -8.868 -0.753 1.00 0.00 O ATOM 0 H ASP A 48 -11.219 -7.342 0.418 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.617 -7.432 2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.246 -6.490 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.921 -6.601 1.011 1.00 0.00 H new ATOM 730 N CYS A 49 -10.069 -4.491 1.352 1.00 0.00 N ATOM 731 CA CYS A 49 -10.099 -3.036 1.472 1.00 0.00 C ATOM 732 C CYS A 49 -10.960 -2.579 2.660 1.00 0.00 C ATOM 733 O CYS A 49 -10.630 -1.609 3.359 1.00 0.00 O ATOM 734 CB CYS A 49 -10.708 -2.536 0.174 1.00 0.00 C ATOM 735 SG CYS A 49 -10.319 -0.816 -0.273 1.00 0.00 S ATOM 0 H CYS A 49 -10.312 -4.812 0.415 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.098 -2.642 1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.375 -3.186 -0.635 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.791 -2.638 0.240 1.00 0.00 H new ATOM 740 N MET A 50 -12.068 -3.308 2.858 1.00 0.00 N ATOM 741 CA MET A 50 -13.031 -3.044 3.919 1.00 0.00 C ATOM 742 C MET A 50 -12.509 -3.416 5.308 1.00 0.00 C ATOM 743 O MET A 50 -12.579 -2.601 6.232 1.00 0.00 O ATOM 744 CB MET A 50 -14.321 -3.798 3.628 1.00 0.00 C ATOM 745 CG MET A 50 -15.211 -3.134 2.585 1.00 0.00 C ATOM 746 SD MET A 50 -16.731 -4.056 2.254 1.00 0.00 S ATOM 747 CE MET A 50 -17.683 -3.748 3.744 1.00 0.00 C ATOM 0 H MET A 50 -12.317 -4.106 2.274 1.00 0.00 H new ATOM 0 HA MET A 50 -13.212 -1.969 3.932 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.072 -4.804 3.290 1.00 0.00 H new ATOM 0 HB3 MET A 50 -14.884 -3.904 4.555 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.469 -2.130 2.923 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.651 -3.024 1.656 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.949 -4.697 4.209 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.088 -3.157 4.440 1.00 0.00 H new ATOM 0 HE3 MET A 50 -18.591 -3.202 3.489 1.00 0.00 H new ATOM 757 N ARG A 51 -11.993 -4.649 5.452 1.00 0.00 N ATOM 758 CA ARG A 51 -11.474 -5.138 6.739 1.00 0.00 C ATOM 759 C ARG A 51 -10.320 -4.286 7.285 1.00 0.00 C ATOM 760 O ARG A 51 -10.142 -4.181 8.502 1.00 0.00 O ATOM 761 CB ARG A 51 -11.067 -6.627 6.662 1.00 0.00 C ATOM 762 CG ARG A 51 -10.211 -7.050 5.467 1.00 0.00 C ATOM 763 CD ARG A 51 -8.728 -6.737 5.666 1.00 0.00 C ATOM 764 NE ARG A 51 -7.881 -7.272 4.581 1.00 0.00 N ATOM 765 CZ ARG A 51 -7.459 -8.547 4.491 1.00 0.00 C ATOM 766 NH1 ARG A 51 -7.803 -9.452 5.405 1.00 0.00 N ATOM 767 NH2 ARG A 51 -6.688 -8.912 3.477 1.00 0.00 N ATOM 0 H ARG A 51 -11.925 -5.325 4.691 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.298 -5.044 7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.524 -6.878 7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.977 -7.227 6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.333 -8.120 5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.569 -6.543 4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.594 -5.657 5.727 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.398 -7.153 6.618 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.594 -6.627 3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.396 -9.184 6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.473 -10.414 5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.417 -8.228 2.770 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.365 -9.877 3.403 1.00 0.00 H new ATOM 781 N THR A 52 -9.547 -3.694 6.373 1.00 0.00 N ATOM 782 CA THR A 52 -8.406 -2.860 6.743 1.00 0.00 C ATOM 783 C THR A 52 -8.826 -1.408 7.062 1.00 0.00 C ATOM 784 O THR A 52 -8.541 -0.923 8.162 1.00 0.00 O ATOM 785 CB THR A 52 -7.332 -2.883 5.653 1.00 0.00 C ATOM 786 OG1 THR A 52 -7.188 -4.179 5.104 1.00 0.00 O ATOM 787 CG2 THR A 52 -5.958 -2.456 6.142 1.00 0.00 C ATOM 0 H THR A 52 -9.693 -3.779 5.367 1.00 0.00 H new ATOM 0 HA THR A 52 -7.985 -3.285 7.654 1.00 0.00 H new ATOM 0 HB THR A 52 -7.683 -2.168 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.915 -4.348 4.469 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.249 -2.497 5.315 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.009 -1.437 6.526 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.630 -3.127 6.936 1.00 0.00 H new ATOM 795 N CYS A 53 -9.485 -0.716 6.108 1.00 0.00 N ATOM 796 CA CYS A 53 -9.903 0.678 6.339 1.00 0.00 C ATOM 797 C CYS A 53 -11.389 0.925 6.035 1.00 0.00 C ATOM 798 O CYS A 53 -11.903 2.014 6.316 1.00 0.00 O ATOM 799 CB CYS A 53 -9.021 1.656 5.544 1.00 0.00 C ATOM 800 SG CYS A 53 -7.999 2.729 6.615 1.00 0.00 S ATOM 0 H CYS A 53 -9.733 -1.091 5.192 1.00 0.00 H new ATOM 0 HA CYS A 53 -9.768 0.861 7.405 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.369 1.090 4.878 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -9.656 2.279 4.914 1.00 0.00 H new ATOM 805 N GLY A 54 -12.078 -0.084 5.484 1.00 0.00 N ATOM 806 CA GLY A 54 -13.500 0.049 5.177 1.00 0.00 C ATOM 807 C GLY A 54 -13.760 0.619 3.797 1.00 0.00 C ATOM 808 O GLY A 54 -14.247 1.745 3.671 1.00 0.00 O ATOM 0 H GLY A 54 -11.675 -0.990 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.975 -0.929 5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.968 0.691 5.923 1.00 0.00 H new ATOM 812 N GLY A 55 -13.435 -0.168 2.762 1.00 0.00 N ATOM 813 CA GLY A 55 -13.628 0.255 1.371 1.00 0.00 C ATOM 814 C GLY A 55 -15.087 0.491 0.983 1.00 0.00 C ATOM 815 O GLY A 55 -15.369 1.299 0.093 1.00 0.00 O ATOM 0 H GLY A 55 -13.037 -1.102 2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.066 1.173 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.207 -0.503 0.711 1.00 0.00 H new ATOM 819 N ALA A 56 -16.005 -0.216 1.652 1.00 0.00 N ATOM 820 CA ALA A 56 -17.437 -0.089 1.383 1.00 0.00 C ATOM 821 C ALA A 56 -18.212 0.203 2.663 1.00 0.00 C ATOM 822 O ALA A 56 -17.929 -0.452 3.689 1.00 0.00 O ATOM 823 CB ALA A 56 -17.965 -1.352 0.721 1.00 0.00 C ATOM 824 OXT ALA A 56 -19.096 1.085 2.631 1.00 0.00 O ATOM 0 H ALA A 56 -15.777 -0.885 2.387 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.580 0.751 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -19.032 -1.242 0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.440 -1.516 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.802 -2.204 1.381 1.00 0.00 H new TER 830 ALA A 56