USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 457 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 MET CE :methyl 150:sc= -0.323 (180deg=-1.3!) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.635! (180deg=-1.46!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 16:sc= -0.386 USER MOD Single : A 9 CYS SG : rot -140:sc= 0.19 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.167 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 152:sc= -0.105 (180deg=-0.505) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 148:sc= -0.0833 (180deg=-0.656) USER MOD Single : A 55 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.501 -12.605 5.702 1.00 0.00 N ATOM 2 CA MET A 1 -8.188 -12.036 5.300 1.00 0.00 C ATOM 3 C MET A 1 -8.151 -10.527 5.517 1.00 0.00 C ATOM 4 O MET A 1 -9.181 -9.899 5.759 1.00 0.00 O ATOM 5 CB MET A 1 -7.942 -12.364 3.826 1.00 0.00 C ATOM 6 CG MET A 1 -9.211 -12.421 2.990 1.00 0.00 C ATOM 7 SD MET A 1 -9.049 -13.501 1.556 1.00 0.00 S ATOM 8 CE MET A 1 -8.744 -15.076 2.351 1.00 0.00 C ATOM 0 H1 MET A 1 -9.610 -13.553 5.289 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.548 -12.672 6.739 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.266 -11.989 5.360 1.00 0.00 H new ATOM 0 HA MET A 1 -7.405 -12.476 5.918 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.273 -11.614 3.403 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.429 -13.324 3.758 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.036 -12.770 3.612 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.467 -11.416 2.656 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.135 -15.880 1.728 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.671 -15.212 2.489 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.240 -15.096 3.322 1.00 0.00 H new ATOM 20 N TYR A 2 -6.955 -9.954 5.428 1.00 0.00 N ATOM 21 CA TYR A 2 -6.778 -8.518 5.615 1.00 0.00 C ATOM 22 C TYR A 2 -6.471 -7.823 4.291 1.00 0.00 C ATOM 23 O TYR A 2 -6.031 -8.455 3.329 1.00 0.00 O ATOM 24 CB TYR A 2 -5.657 -8.248 6.624 1.00 0.00 C ATOM 25 CG TYR A 2 -6.156 -7.940 8.020 1.00 0.00 C ATOM 26 CD1 TYR A 2 -7.130 -8.727 8.624 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.648 -6.861 8.734 1.00 0.00 C ATOM 28 CE1 TYR A 2 -7.585 -8.446 9.898 1.00 0.00 C ATOM 29 CE2 TYR A 2 -6.099 -6.575 10.008 1.00 0.00 C ATOM 30 CZ TYR A 2 -7.066 -7.369 10.586 1.00 0.00 C ATOM 31 OH TYR A 2 -7.517 -7.086 11.855 1.00 0.00 O ATOM 0 H TYR A 2 -6.094 -10.462 5.227 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.712 -8.112 6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.001 -9.117 6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.055 -7.411 6.270 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.538 -9.572 8.089 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.889 -6.237 8.286 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -8.343 -9.066 10.353 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.695 -5.732 10.549 1.00 0.00 H new ATOM 0 HH TYR A 2 -7.049 -6.297 12.200 1.00 0.00 H new ATOM 41 N ILE A 3 -6.707 -6.516 4.256 1.00 0.00 N ATOM 42 CA ILE A 3 -6.479 -5.715 3.061 1.00 0.00 C ATOM 43 C ILE A 3 -5.614 -4.500 3.376 1.00 0.00 C ATOM 44 O ILE A 3 -5.623 -3.999 4.500 1.00 0.00 O ATOM 45 CB ILE A 3 -7.811 -5.223 2.460 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.628 -4.490 3.526 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.609 -6.382 1.886 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.497 -3.386 2.967 1.00 0.00 C ATOM 0 H ILE A 3 -7.060 -5.985 5.052 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.968 -6.354 2.341 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.587 -4.532 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.259 -5.210 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.949 -4.067 4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.544 -6.008 1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.030 -6.869 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.826 -7.101 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.047 -2.910 3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.870 -2.645 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.201 -3.806 2.248 1.00 0.00 H new ATOM 60 N ILE A 4 -4.886 -4.014 2.376 1.00 0.00 N ATOM 61 CA ILE A 4 -4.041 -2.841 2.553 1.00 0.00 C ATOM 62 C ILE A 4 -4.485 -1.721 1.610 1.00 0.00 C ATOM 63 O ILE A 4 -5.035 -1.978 0.540 1.00 0.00 O ATOM 64 CB ILE A 4 -2.550 -3.195 2.333 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.971 -3.821 3.603 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.732 -1.973 1.938 1.00 0.00 C ATOM 67 CD1 ILE A 4 -2.025 -5.333 3.615 1.00 0.00 C ATOM 0 H ILE A 4 -4.865 -4.414 1.438 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.149 -2.489 3.579 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.496 -3.911 1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.935 -3.502 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.516 -3.440 4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.691 -2.263 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.125 -1.556 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.793 -1.224 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.597 -5.705 4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.062 -5.661 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.455 -5.724 2.772 1.00 0.00 H new ATOM 79 N PHE A 5 -4.288 -0.478 2.031 1.00 0.00 N ATOM 80 CA PHE A 5 -4.700 0.670 1.231 1.00 0.00 C ATOM 81 C PHE A 5 -3.678 1.796 1.337 1.00 0.00 C ATOM 82 O PHE A 5 -2.570 1.590 1.830 1.00 0.00 O ATOM 83 CB PHE A 5 -6.076 1.173 1.678 1.00 0.00 C ATOM 84 CG PHE A 5 -6.502 0.702 3.040 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.063 -0.553 3.215 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.377 1.533 4.138 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.463 -0.978 4.468 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.783 1.117 5.388 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.320 -0.140 5.555 1.00 0.00 C ATOM 0 H PHE A 5 -3.847 -0.239 2.919 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.762 0.350 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.070 2.263 1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.820 0.853 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.189 -1.206 2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.956 2.520 4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.886 -1.963 4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.680 1.777 6.237 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.629 -0.470 6.536 1.00 0.00 H new ATOM 99 N ARG A 6 -4.045 2.984 0.858 1.00 0.00 N ATOM 100 CA ARG A 6 -3.134 4.124 0.886 1.00 0.00 C ATOM 101 C ARG A 6 -3.865 5.422 1.215 1.00 0.00 C ATOM 102 O ARG A 6 -4.872 5.755 0.592 1.00 0.00 O ATOM 103 CB ARG A 6 -2.427 4.267 -0.463 1.00 0.00 C ATOM 104 CG ARG A 6 -1.678 3.017 -0.901 1.00 0.00 C ATOM 105 CD ARG A 6 -0.364 3.356 -1.592 1.00 0.00 C ATOM 106 NE ARG A 6 -0.239 4.782 -1.880 1.00 0.00 N ATOM 107 CZ ARG A 6 -0.275 5.293 -3.107 1.00 0.00 C ATOM 108 NH1 ARG A 6 -0.434 4.496 -4.156 1.00 0.00 N ATOM 109 NH2 ARG A 6 -0.155 6.601 -3.286 1.00 0.00 N ATOM 0 H ARG A 6 -4.959 3.180 0.450 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.400 3.937 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.165 4.522 -1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.725 5.099 -0.408 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.480 2.389 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.305 2.436 -1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.467 3.041 -0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.289 2.792 -2.522 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.117 5.422 -1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.529 3.489 -4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.461 4.890 -5.096 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.035 7.217 -2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.183 6.992 -4.228 1.00 0.00 H new ATOM 123 N CYS A 7 -3.335 6.171 2.179 1.00 0.00 N ATOM 124 CA CYS A 7 -3.919 7.449 2.550 1.00 0.00 C ATOM 125 C CYS A 7 -3.542 8.512 1.527 1.00 0.00 C ATOM 126 O CYS A 7 -2.631 8.307 0.724 1.00 0.00 O ATOM 127 CB CYS A 7 -3.458 7.869 3.945 1.00 0.00 C ATOM 128 SG CYS A 7 -4.462 9.170 4.698 1.00 0.00 S ATOM 0 H CYS A 7 -2.505 5.913 2.713 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.004 7.342 2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.468 6.995 4.597 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.425 8.211 3.886 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.591 9.271 4.061 1.00 0.00 H new ATOM 134 N ASP A 8 -4.211 9.661 1.587 1.00 0.00 N ATOM 135 CA ASP A 8 -3.959 10.740 0.636 1.00 0.00 C ATOM 136 C ASP A 8 -2.531 11.253 0.764 1.00 0.00 C ATOM 137 O ASP A 8 -1.920 11.673 -0.219 1.00 0.00 O ATOM 138 CB ASP A 8 -4.947 11.887 0.859 1.00 0.00 C ATOM 139 CG ASP A 8 -5.994 11.972 -0.235 1.00 0.00 C ATOM 140 OD1 ASP A 8 -6.019 11.077 -1.106 1.00 0.00 O ATOM 141 OD2 ASP A 8 -6.789 12.936 -0.220 1.00 0.00 O ATOM 0 H ASP A 8 -4.929 9.868 2.281 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.095 10.343 -0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.441 11.755 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.400 12.829 0.908 1.00 0.00 H new ATOM 146 N CYS A 9 -1.995 11.192 1.977 1.00 0.00 N ATOM 147 CA CYS A 9 -0.620 11.607 2.226 1.00 0.00 C ATOM 148 C CYS A 9 0.355 10.585 1.650 1.00 0.00 C ATOM 149 O CYS A 9 1.569 10.703 1.822 1.00 0.00 O ATOM 150 CB CYS A 9 -0.382 11.759 3.727 1.00 0.00 C ATOM 151 SG CYS A 9 -1.295 13.124 4.485 1.00 0.00 S ATOM 0 H CYS A 9 -2.492 10.859 2.804 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.453 12.567 1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.660 10.830 4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.684 11.907 3.902 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.539 13.720 5.358 1.00 0.00 H new ATOM 157 N GLY A 10 -0.191 9.575 0.980 1.00 0.00 N ATOM 158 CA GLY A 10 0.630 8.521 0.419 1.00 0.00 C ATOM 159 C GLY A 10 0.954 7.461 1.450 1.00 0.00 C ATOM 160 O GLY A 10 1.948 6.743 1.328 1.00 0.00 O ATOM 0 H GLY A 10 -1.192 9.469 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.111 8.064 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.555 8.947 0.031 1.00 0.00 H new ATOM 164 N ARG A 11 0.140 7.405 2.501 1.00 0.00 N ATOM 165 CA ARG A 11 0.342 6.442 3.579 1.00 0.00 C ATOM 166 C ARG A 11 -0.178 5.059 3.193 1.00 0.00 C ATOM 167 O ARG A 11 -0.464 4.798 2.024 1.00 0.00 O ATOM 168 CB ARG A 11 -0.344 6.921 4.861 1.00 0.00 C ATOM 169 CG ARG A 11 0.016 8.347 5.249 1.00 0.00 C ATOM 170 CD ARG A 11 0.965 8.376 6.438 1.00 0.00 C ATOM 171 NE ARG A 11 1.148 9.727 6.962 1.00 0.00 N ATOM 172 CZ ARG A 11 1.958 10.629 6.413 1.00 0.00 C ATOM 173 NH1 ARG A 11 2.654 10.326 5.326 1.00 0.00 N ATOM 174 NH2 ARG A 11 2.069 11.835 6.952 1.00 0.00 N ATOM 0 H ARG A 11 -0.667 8.016 2.629 1.00 0.00 H new ATOM 0 HA ARG A 11 1.415 6.364 3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.424 6.850 4.733 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.075 6.252 5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.478 8.851 4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.891 8.900 5.492 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.577 7.731 7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.931 7.969 6.140 1.00 0.00 H new ATOM 0 HE ARG A 11 0.625 9.994 7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.569 9.399 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.274 11.020 4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.534 12.071 7.787 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.690 12.526 6.531 1.00 0.00 H new ATOM 188 N ALA A 12 -0.265 4.170 4.180 1.00 0.00 N ATOM 189 CA ALA A 12 -0.756 2.815 3.955 1.00 0.00 C ATOM 190 C ALA A 12 -1.222 2.189 5.263 1.00 0.00 C ATOM 191 O ALA A 12 -0.534 2.281 6.280 1.00 0.00 O ATOM 192 CB ALA A 12 0.324 1.962 3.311 1.00 0.00 C ATOM 0 H ALA A 12 -0.001 4.366 5.146 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.608 2.865 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.057 0.954 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.611 2.399 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.194 1.920 3.967 1.00 0.00 H new ATOM 198 N LEU A 13 -2.392 1.557 5.241 1.00 0.00 N ATOM 199 CA LEU A 13 -2.947 0.945 6.441 1.00 0.00 C ATOM 200 C LEU A 13 -3.482 -0.458 6.152 1.00 0.00 C ATOM 201 O LEU A 13 -3.376 -0.953 5.029 1.00 0.00 O ATOM 202 CB LEU A 13 -4.063 1.825 7.003 1.00 0.00 C ATOM 203 CG LEU A 13 -3.606 3.032 7.827 1.00 0.00 C ATOM 204 CD1 LEU A 13 -2.665 2.600 8.944 1.00 0.00 C ATOM 205 CD2 LEU A 13 -2.949 4.081 6.942 1.00 0.00 C ATOM 0 H LEU A 13 -2.971 1.456 4.408 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.149 0.856 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.670 2.184 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.709 1.207 7.626 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.489 3.482 8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.354 3.474 9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.179 1.900 9.603 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.788 2.116 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.634 4.927 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.080 3.647 6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.662 4.421 6.191 1.00 0.00 H new ATOM 217 N TYR A 14 -4.048 -1.097 7.175 1.00 0.00 N ATOM 218 CA TYR A 14 -4.580 -2.453 7.039 1.00 0.00 C ATOM 219 C TYR A 14 -5.927 -2.596 7.747 1.00 0.00 C ATOM 220 O TYR A 14 -6.131 -2.048 8.830 1.00 0.00 O ATOM 221 CB TYR A 14 -3.584 -3.467 7.608 1.00 0.00 C ATOM 222 CG TYR A 14 -3.189 -3.197 9.043 1.00 0.00 C ATOM 223 CD1 TYR A 14 -2.195 -2.275 9.350 1.00 0.00 C ATOM 224 CD2 TYR A 14 -3.804 -3.870 10.091 1.00 0.00 C ATOM 225 CE1 TYR A 14 -1.830 -2.028 10.659 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.444 -3.630 11.404 1.00 0.00 C ATOM 227 CZ TYR A 14 -2.457 -2.708 11.682 1.00 0.00 C ATOM 228 OH TYR A 14 -2.096 -2.465 12.989 1.00 0.00 O ATOM 0 H TYR A 14 -4.150 -0.697 8.108 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.732 -2.649 5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.018 -4.465 7.542 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.687 -3.468 6.988 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.700 -1.743 8.551 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.577 -4.593 9.876 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.058 -1.306 10.880 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.933 -4.161 12.207 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.634 -3.025 13.587 1.00 0.00 H new ATOM 238 N SER A 15 -6.841 -3.340 7.127 1.00 0.00 N ATOM 239 CA SER A 15 -8.166 -3.577 7.700 1.00 0.00 C ATOM 240 C SER A 15 -8.761 -4.870 7.154 1.00 0.00 C ATOM 241 O SER A 15 -8.084 -5.625 6.463 1.00 0.00 O ATOM 242 CB SER A 15 -9.100 -2.406 7.391 1.00 0.00 C ATOM 243 OG SER A 15 -10.272 -2.465 8.185 1.00 0.00 O ATOM 0 H SER A 15 -6.688 -3.791 6.225 1.00 0.00 H new ATOM 0 HA SER A 15 -8.058 -3.667 8.781 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.581 -1.465 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.371 -2.422 6.335 1.00 0.00 H new ATOM 0 HG SER A 15 -10.852 -1.705 7.970 1.00 0.00 H new ATOM 249 N ARG A 16 -10.024 -5.131 7.477 1.00 0.00 N ATOM 250 CA ARG A 16 -10.695 -6.331 6.991 1.00 0.00 C ATOM 251 C ARG A 16 -11.107 -6.175 5.530 1.00 0.00 C ATOM 252 O ARG A 16 -11.320 -5.062 5.050 1.00 0.00 O ATOM 253 CB ARG A 16 -11.920 -6.653 7.842 1.00 0.00 C ATOM 254 CG ARG A 16 -13.019 -5.614 7.742 1.00 0.00 C ATOM 255 CD ARG A 16 -13.436 -5.126 9.116 1.00 0.00 C ATOM 256 NE ARG A 16 -14.465 -5.974 9.711 1.00 0.00 N ATOM 257 CZ ARG A 16 -14.606 -6.156 11.020 1.00 0.00 C ATOM 258 NH1 ARG A 16 -13.786 -5.549 11.869 1.00 0.00 N ATOM 259 NH2 ARG A 16 -15.566 -6.946 11.482 1.00 0.00 N ATOM 0 H ARG A 16 -10.600 -4.532 8.069 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.987 -7.156 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.318 -7.621 7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.614 -6.747 8.884 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.674 -4.771 7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.880 -6.040 7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.565 -5.100 9.771 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.808 -4.104 9.040 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.113 -6.454 9.086 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.046 -4.942 11.517 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.896 -5.690 12.873 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.197 -7.415 10.832 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.673 -7.085 12.487 1.00 0.00 H new ATOM 273 N GLU A 17 -11.205 -7.299 4.831 1.00 0.00 N ATOM 274 CA GLU A 17 -11.605 -7.301 3.427 1.00 0.00 C ATOM 275 C GLU A 17 -12.978 -6.663 3.240 1.00 0.00 C ATOM 276 O GLU A 17 -13.997 -7.247 3.610 1.00 0.00 O ATOM 277 CB GLU A 17 -11.622 -8.730 2.882 1.00 0.00 C ATOM 278 CG GLU A 17 -11.340 -8.816 1.391 1.00 0.00 C ATOM 279 CD GLU A 17 -12.171 -9.878 0.698 1.00 0.00 C ATOM 280 OE1 GLU A 17 -11.738 -11.050 0.678 1.00 0.00 O ATOM 281 OE2 GLU A 17 -13.252 -9.539 0.176 1.00 0.00 O ATOM 0 H GLU A 17 -11.012 -8.225 5.214 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.875 -6.711 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.881 -9.323 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.596 -9.176 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.539 -7.848 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.282 -9.031 1.237 1.00 0.00 H new ATOM 288 N GLY A 18 -13.003 -5.471 2.649 1.00 0.00 N ATOM 289 CA GLY A 18 -14.265 -4.794 2.408 1.00 0.00 C ATOM 290 C GLY A 18 -14.180 -3.295 2.613 1.00 0.00 C ATOM 291 O GLY A 18 -15.128 -2.569 2.313 1.00 0.00 O ATOM 0 H GLY A 18 -12.176 -4.964 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.592 -4.998 1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.024 -5.204 3.074 1.00 0.00 H new ATOM 295 N ALA A 19 -13.052 -2.830 3.139 1.00 0.00 N ATOM 296 CA ALA A 19 -12.855 -1.407 3.378 1.00 0.00 C ATOM 297 C ALA A 19 -12.602 -0.664 2.072 1.00 0.00 C ATOM 298 O ALA A 19 -11.557 -0.833 1.444 1.00 0.00 O ATOM 299 CB ALA A 19 -11.707 -1.183 4.351 1.00 0.00 C ATOM 0 H ALA A 19 -12.262 -3.417 3.407 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.768 -1.009 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.575 -0.114 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.932 -1.673 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.791 -1.602 3.935 1.00 0.00 H new ATOM 305 N LYS A 20 -13.570 0.148 1.662 1.00 0.00 N ATOM 306 CA LYS A 20 -13.447 0.925 0.434 1.00 0.00 C ATOM 307 C LYS A 20 -12.796 2.274 0.714 1.00 0.00 C ATOM 308 O LYS A 20 -11.938 2.732 -0.041 1.00 0.00 O ATOM 309 CB LYS A 20 -14.822 1.128 -0.205 1.00 0.00 C ATOM 310 CG LYS A 20 -15.458 -0.162 -0.697 1.00 0.00 C ATOM 311 CD LYS A 20 -16.643 -0.565 0.165 1.00 0.00 C ATOM 312 CE LYS A 20 -17.082 -1.992 -0.123 1.00 0.00 C ATOM 313 NZ LYS A 20 -18.565 -2.116 -0.187 1.00 0.00 N ATOM 0 H LYS A 20 -14.448 0.285 2.162 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.813 0.372 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.486 1.597 0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.726 1.819 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.784 -0.037 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.715 -0.960 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.377 -0.471 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.474 0.116 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.649 -2.321 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.696 -2.654 0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.823 -3.104 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.977 -1.827 0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.932 -1.504 -0.944 1.00 0.00 H new ATOM 327 N THR A 21 -13.208 2.904 1.810 1.00 0.00 N ATOM 328 CA THR A 21 -12.657 4.194 2.205 1.00 0.00 C ATOM 329 C THR A 21 -12.555 4.296 3.723 1.00 0.00 C ATOM 330 O THR A 21 -13.568 4.365 4.421 1.00 0.00 O ATOM 331 CB THR A 21 -13.522 5.335 1.666 1.00 0.00 C ATOM 332 OG1 THR A 21 -14.850 4.892 1.441 1.00 0.00 O ATOM 333 CG2 THR A 21 -13.003 5.918 0.370 1.00 0.00 C ATOM 0 H THR A 21 -13.923 2.541 2.441 1.00 0.00 H new ATOM 0 HA THR A 21 -11.657 4.277 1.780 1.00 0.00 H new ATOM 0 HB THR A 21 -13.490 6.111 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.389 5.635 1.098 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.662 6.722 0.043 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.999 6.312 0.525 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.974 5.140 -0.393 1.00 0.00 H new ATOM 341 N ARG A 22 -11.327 4.299 4.227 1.00 0.00 N ATOM 342 CA ARG A 22 -11.090 4.394 5.661 1.00 0.00 C ATOM 343 C ARG A 22 -10.962 5.850 6.090 1.00 0.00 C ATOM 344 O ARG A 22 -11.132 6.762 5.281 1.00 0.00 O ATOM 345 CB ARG A 22 -9.823 3.626 6.040 1.00 0.00 C ATOM 346 CG ARG A 22 -10.083 2.183 6.441 1.00 0.00 C ATOM 347 CD ARG A 22 -10.718 2.094 7.817 1.00 0.00 C ATOM 348 NE ARG A 22 -11.804 1.118 7.859 1.00 0.00 N ATOM 349 CZ ARG A 22 -12.964 1.332 8.470 1.00 0.00 C ATOM 350 NH1 ARG A 22 -13.188 2.482 9.093 1.00 0.00 N ATOM 351 NH2 ARG A 22 -13.903 0.397 8.462 1.00 0.00 N ATOM 0 H ARG A 22 -10.480 4.237 3.663 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.942 3.953 6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.133 3.641 5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.330 4.140 6.865 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.736 1.712 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.145 1.628 6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.958 1.822 8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.100 3.074 8.103 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.664 0.222 7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.468 3.205 9.104 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.080 2.643 9.561 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.736 -0.490 7.986 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.793 0.564 8.932 1.00 0.00 H new ATOM 365 N LYS A 23 -10.661 6.063 7.366 1.00 0.00 N ATOM 366 CA LYS A 23 -10.511 7.411 7.896 1.00 0.00 C ATOM 367 C LYS A 23 -9.512 7.433 9.046 1.00 0.00 C ATOM 368 O LYS A 23 -9.400 6.470 9.805 1.00 0.00 O ATOM 369 CB LYS A 23 -11.864 7.948 8.369 1.00 0.00 C ATOM 370 CG LYS A 23 -11.798 9.363 8.920 1.00 0.00 C ATOM 371 CD LYS A 23 -12.496 10.354 8.002 1.00 0.00 C ATOM 372 CE LYS A 23 -12.922 11.605 8.753 1.00 0.00 C ATOM 373 NZ LYS A 23 -13.302 12.707 7.827 1.00 0.00 N ATOM 0 H LYS A 23 -10.517 5.321 8.050 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.133 8.050 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.566 7.924 7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.260 7.285 9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.261 9.392 9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.756 9.656 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.828 10.628 7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.370 9.882 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.765 11.369 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.108 11.937 9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.586 13.542 8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.490 12.950 7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.096 12.400 7.230 1.00 0.00 H new ATOM 387 N CYS A 24 -8.789 8.538 9.164 1.00 0.00 N ATOM 388 CA CYS A 24 -7.813 8.704 10.227 1.00 0.00 C ATOM 389 C CYS A 24 -8.414 9.510 11.370 1.00 0.00 C ATOM 390 O CYS A 24 -8.968 10.590 11.158 1.00 0.00 O ATOM 391 CB CYS A 24 -6.557 9.398 9.699 1.00 0.00 C ATOM 392 SG CYS A 24 -5.089 9.144 10.722 1.00 0.00 S ATOM 0 H CYS A 24 -8.862 9.335 8.532 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.535 7.717 10.597 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.352 9.037 8.691 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.752 10.468 9.621 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.078 9.767 10.193 1.00 0.00 H new ATOM 398 N VAL A 25 -8.317 8.973 12.577 1.00 0.00 N ATOM 399 CA VAL A 25 -8.866 9.631 13.753 1.00 0.00 C ATOM 400 C VAL A 25 -8.102 10.913 14.058 1.00 0.00 C ATOM 401 O VAL A 25 -8.633 11.830 14.686 1.00 0.00 O ATOM 402 CB VAL A 25 -8.828 8.702 14.979 1.00 0.00 C ATOM 403 CG1 VAL A 25 -9.850 9.138 16.018 1.00 0.00 C ATOM 404 CG2 VAL A 25 -9.067 7.260 14.554 1.00 0.00 C ATOM 0 H VAL A 25 -7.862 8.080 12.768 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.905 9.878 13.536 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.840 8.768 15.434 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.806 8.467 16.876 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.629 10.155 16.341 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.849 9.104 15.583 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.038 6.613 15.431 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.043 7.179 14.075 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.292 6.955 13.851 1.00 0.00 H new ATOM 414 N CYS A 26 -6.860 10.975 13.591 1.00 0.00 N ATOM 415 CA CYS A 26 -6.027 12.155 13.784 1.00 0.00 C ATOM 416 C CYS A 26 -6.537 13.320 12.941 1.00 0.00 C ATOM 417 O CYS A 26 -6.325 14.485 13.279 1.00 0.00 O ATOM 418 CB CYS A 26 -4.573 11.844 13.420 1.00 0.00 C ATOM 419 SG CYS A 26 -3.355 12.737 14.414 1.00 0.00 S ATOM 0 H CYS A 26 -6.408 10.220 13.075 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.077 12.439 14.835 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.403 10.773 13.532 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.414 12.084 12.369 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.157 12.406 14.033 1.00 0.00 H new ATOM 425 N GLY A 27 -7.210 12.995 11.840 1.00 0.00 N ATOM 426 CA GLY A 27 -7.742 14.022 10.962 1.00 0.00 C ATOM 427 C GLY A 27 -7.316 13.831 9.518 1.00 0.00 C ATOM 428 O GLY A 27 -6.520 14.611 8.994 1.00 0.00 O ATOM 0 H GLY A 27 -7.396 12.038 11.541 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.830 14.017 11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.409 15.000 11.309 1.00 0.00 H new ATOM 432 N ARG A 28 -7.869 12.807 8.870 1.00 0.00 N ATOM 433 CA ARG A 28 -7.546 12.504 7.478 1.00 0.00 C ATOM 434 C ARG A 28 -8.456 11.405 6.937 1.00 0.00 C ATOM 435 O ARG A 28 -9.372 10.950 7.622 1.00 0.00 O ATOM 436 CB ARG A 28 -6.084 12.063 7.356 1.00 0.00 C ATOM 437 CG ARG A 28 -5.162 13.153 6.837 1.00 0.00 C ATOM 438 CD ARG A 28 -3.705 12.715 6.870 1.00 0.00 C ATOM 439 NE ARG A 28 -3.331 12.149 8.164 1.00 0.00 N ATOM 440 CZ ARG A 28 -2.073 12.019 8.577 1.00 0.00 C ATOM 441 NH1 ARG A 28 -1.071 12.414 7.803 1.00 0.00 N ATOM 442 NH2 ARG A 28 -1.816 11.493 9.767 1.00 0.00 N ATOM 0 H ARG A 28 -8.546 12.170 9.290 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.701 13.409 6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.730 11.734 8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.027 11.202 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.442 13.412 5.816 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.286 14.053 7.439 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.531 11.976 6.088 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.065 13.569 6.650 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.076 11.836 8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.263 12.819 6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.108 12.312 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.583 11.188 10.366 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.851 11.394 10.083 1.00 0.00 H new ATOM 456 N THR A 29 -8.194 10.982 5.703 1.00 0.00 N ATOM 457 CA THR A 29 -8.976 9.927 5.069 1.00 0.00 C ATOM 458 C THR A 29 -8.076 9.019 4.236 1.00 0.00 C ATOM 459 O THR A 29 -7.256 9.495 3.450 1.00 0.00 O ATOM 460 CB THR A 29 -10.069 10.530 4.184 1.00 0.00 C ATOM 461 OG1 THR A 29 -10.937 11.348 4.949 1.00 0.00 O ATOM 462 CG2 THR A 29 -10.917 9.491 3.481 1.00 0.00 C ATOM 0 H THR A 29 -7.444 11.356 5.122 1.00 0.00 H new ATOM 0 HA THR A 29 -9.444 9.333 5.853 1.00 0.00 H new ATOM 0 HB THR A 29 -9.540 11.111 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.628 11.726 4.366 1.00 0.00 H new ATOM 0 HG21 THR A 29 -11.671 9.989 2.871 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.283 8.875 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.408 8.860 4.222 1.00 0.00 H new ATOM 470 N VAL A 30 -8.218 7.712 4.429 1.00 0.00 N ATOM 471 CA VAL A 30 -7.408 6.746 3.696 1.00 0.00 C ATOM 472 C VAL A 30 -8.206 6.086 2.580 1.00 0.00 C ATOM 473 O VAL A 30 -9.136 5.322 2.831 1.00 0.00 O ATOM 474 CB VAL A 30 -6.832 5.669 4.627 1.00 0.00 C ATOM 475 CG1 VAL A 30 -5.743 4.879 3.918 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.293 6.308 5.893 1.00 0.00 C ATOM 0 H VAL A 30 -8.883 7.299 5.083 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.580 7.301 3.254 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.630 4.978 4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.346 4.120 4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.160 4.396 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.941 5.553 3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.887 5.535 6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.506 7.017 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.099 6.832 6.408 1.00 0.00 H new ATOM 486 N ASN A 31 -7.845 6.412 1.346 1.00 0.00 N ATOM 487 CA ASN A 31 -8.527 5.867 0.176 1.00 0.00 C ATOM 488 C ASN A 31 -7.828 4.615 -0.345 1.00 0.00 C ATOM 489 O ASN A 31 -6.679 4.670 -0.781 1.00 0.00 O ATOM 490 CB ASN A 31 -8.594 6.920 -0.931 1.00 0.00 C ATOM 491 CG ASN A 31 -10.006 7.143 -1.432 1.00 0.00 C ATOM 492 OD1 ASN A 31 -10.632 8.159 -1.128 1.00 0.00 O ATOM 493 ND2 ASN A 31 -10.517 6.190 -2.202 1.00 0.00 N ATOM 0 H ASN A 31 -7.082 7.053 1.127 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.537 5.591 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.191 7.862 -0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.961 6.610 -1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.465 6.283 -2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.962 5.365 -2.428 1.00 0.00 H new ATOM 500 N VAL A 32 -8.527 3.485 -0.300 1.00 0.00 N ATOM 501 CA VAL A 32 -7.968 2.233 -0.800 1.00 0.00 C ATOM 502 C VAL A 32 -7.730 2.310 -2.307 1.00 0.00 C ATOM 503 O VAL A 32 -7.858 3.378 -2.907 1.00 0.00 O ATOM 504 CB VAL A 32 -8.864 1.022 -0.454 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.428 1.165 0.952 1.00 0.00 C ATOM 506 CG2 VAL A 32 -9.988 0.839 -1.466 1.00 0.00 C ATOM 0 H VAL A 32 -9.473 3.410 0.074 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.010 2.085 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.241 0.129 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.057 0.305 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.609 1.217 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.023 2.076 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.594 -0.023 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.613 1.732 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.563 0.677 -2.456 1.00 0.00 H new ATOM 516 N LYS A 33 -7.376 1.180 -2.911 1.00 0.00 N ATOM 517 CA LYS A 33 -7.121 1.130 -4.346 1.00 0.00 C ATOM 518 C LYS A 33 -8.333 1.621 -5.134 1.00 0.00 C ATOM 519 O LYS A 33 -9.357 1.986 -4.556 1.00 0.00 O ATOM 520 CB LYS A 33 -6.772 -0.298 -4.771 1.00 0.00 C ATOM 521 CG LYS A 33 -5.727 -0.369 -5.872 1.00 0.00 C ATOM 522 CD LYS A 33 -5.688 -1.747 -6.513 1.00 0.00 C ATOM 523 CE LYS A 33 -6.325 -1.740 -7.893 1.00 0.00 C ATOM 524 NZ LYS A 33 -5.590 -0.858 -8.842 1.00 0.00 N ATOM 0 H LYS A 33 -7.259 0.288 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.278 1.787 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.410 -0.848 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.679 -0.799 -5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.946 0.381 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.746 -0.130 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.654 -2.084 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.209 -2.461 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.349 -2.756 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.359 -1.405 -7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.717 -1.210 -9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.961 0.111 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.578 -0.858 -8.603 1.00 0.00 H new ATOM 538 N ASP A 34 -8.220 1.604 -6.457 1.00 0.00 N ATOM 539 CA ASP A 34 -9.311 2.042 -7.317 1.00 0.00 C ATOM 540 C ASP A 34 -10.228 0.873 -7.645 1.00 0.00 C ATOM 541 O ASP A 34 -11.452 0.993 -7.584 1.00 0.00 O ATOM 542 CB ASP A 34 -8.763 2.659 -8.604 1.00 0.00 C ATOM 543 CG ASP A 34 -9.413 3.990 -8.929 1.00 0.00 C ATOM 544 OD1 ASP A 34 -9.552 4.822 -8.008 1.00 0.00 O ATOM 545 OD2 ASP A 34 -9.785 4.198 -10.103 1.00 0.00 O ATOM 0 H ASP A 34 -7.386 1.293 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.886 2.800 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.686 2.798 -8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.923 1.968 -9.432 1.00 0.00 H new ATOM 550 N ARG A 35 -9.628 -0.265 -7.974 1.00 0.00 N ATOM 551 CA ARG A 35 -10.389 -1.470 -8.272 1.00 0.00 C ATOM 552 C ARG A 35 -10.713 -2.223 -6.982 1.00 0.00 C ATOM 553 O ARG A 35 -11.558 -1.789 -6.199 1.00 0.00 O ATOM 554 CB ARG A 35 -9.612 -2.365 -9.241 1.00 0.00 C ATOM 555 CG ARG A 35 -9.673 -1.895 -10.686 1.00 0.00 C ATOM 556 CD ARG A 35 -8.579 -2.533 -11.527 1.00 0.00 C ATOM 557 NE ARG A 35 -8.057 -1.610 -12.532 1.00 0.00 N ATOM 558 CZ ARG A 35 -6.778 -1.563 -12.897 1.00 0.00 C ATOM 559 NH1 ARG A 35 -5.895 -2.383 -12.343 1.00 0.00 N ATOM 560 NH2 ARG A 35 -6.383 -0.693 -13.817 1.00 0.00 N ATOM 0 H ARG A 35 -8.616 -0.377 -8.041 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.327 -1.184 -8.748 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.570 -2.409 -8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.006 -3.380 -9.181 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.647 -2.140 -11.108 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.574 -0.810 -10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.767 -2.861 -10.878 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.972 -3.422 -12.020 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.709 -0.966 -12.979 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.195 -3.053 -11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.916 -2.344 -12.625 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.059 -0.060 -14.244 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.403 -0.657 -14.097 1.00 0.00 H new ATOM 574 N ARG A 36 -10.037 -3.349 -6.759 1.00 0.00 N ATOM 575 CA ARG A 36 -10.253 -4.143 -5.555 1.00 0.00 C ATOM 576 C ARG A 36 -9.568 -3.510 -4.343 1.00 0.00 C ATOM 577 O ARG A 36 -10.129 -2.629 -3.692 1.00 0.00 O ATOM 578 CB ARG A 36 -9.748 -5.574 -5.763 1.00 0.00 C ATOM 579 CG ARG A 36 -10.000 -6.115 -7.161 1.00 0.00 C ATOM 580 CD ARG A 36 -9.101 -7.302 -7.467 1.00 0.00 C ATOM 581 NE ARG A 36 -9.810 -8.572 -7.339 1.00 0.00 N ATOM 582 CZ ARG A 36 -9.222 -9.760 -7.436 1.00 0.00 C ATOM 583 NH1 ARG A 36 -7.917 -9.842 -7.665 1.00 0.00 N ATOM 584 NH2 ARG A 36 -9.939 -10.868 -7.307 1.00 0.00 N ATOM 0 H ARG A 36 -9.337 -3.730 -7.396 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.325 -4.171 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.678 -5.605 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.230 -6.229 -5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.044 -6.414 -7.254 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.827 -5.327 -7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.707 -7.207 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.247 -7.294 -6.790 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.815 -8.546 -7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.363 -8.992 -7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.469 -10.755 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.942 -10.809 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.487 -11.779 -7.382 1.00 0.00 H new ATOM 598 N ILE A 37 -8.363 -3.985 -4.033 1.00 0.00 N ATOM 599 CA ILE A 37 -7.608 -3.487 -2.885 1.00 0.00 C ATOM 600 C ILE A 37 -6.111 -3.709 -3.085 1.00 0.00 C ATOM 601 O ILE A 37 -5.700 -4.629 -3.793 1.00 0.00 O ATOM 602 CB ILE A 37 -8.079 -4.180 -1.581 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.941 -3.217 -0.755 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.901 -4.697 -0.758 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.145 -2.217 0.055 1.00 0.00 C ATOM 0 H ILE A 37 -7.888 -4.716 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.792 -2.416 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.682 -5.045 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.608 -2.676 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.570 -3.797 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.272 -5.176 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.336 -5.421 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.252 -3.864 -0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.827 -1.573 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.497 -2.747 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.536 -1.609 -0.614 1.00 0.00 H new ATOM 617 N PHE A 38 -5.304 -2.877 -2.440 1.00 0.00 N ATOM 618 CA PHE A 38 -3.855 -3.002 -2.524 1.00 0.00 C ATOM 619 C PHE A 38 -3.336 -3.884 -1.393 1.00 0.00 C ATOM 620 O PHE A 38 -3.938 -3.952 -0.325 1.00 0.00 O ATOM 621 CB PHE A 38 -3.196 -1.623 -2.460 1.00 0.00 C ATOM 622 CG PHE A 38 -1.974 -1.499 -3.325 1.00 0.00 C ATOM 623 CD1 PHE A 38 -0.772 -2.067 -2.933 1.00 0.00 C ATOM 624 CD2 PHE A 38 -2.026 -0.813 -4.528 1.00 0.00 C ATOM 625 CE1 PHE A 38 0.354 -1.955 -3.726 1.00 0.00 C ATOM 626 CE2 PHE A 38 -0.904 -0.697 -5.324 1.00 0.00 C ATOM 627 CZ PHE A 38 0.289 -1.268 -4.923 1.00 0.00 C ATOM 0 H PHE A 38 -5.628 -2.108 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.602 -3.466 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.922 -0.868 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.923 -1.408 -1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.715 -2.603 -1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.955 -0.364 -4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.284 -2.404 -3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.959 -0.160 -6.260 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.168 -1.177 -5.544 1.00 0.00 H new ATOM 637 N GLY A 39 -2.233 -4.578 -1.647 1.00 0.00 N ATOM 638 CA GLY A 39 -1.647 -5.452 -0.645 1.00 0.00 C ATOM 639 C GLY A 39 -2.672 -6.340 0.038 1.00 0.00 C ATOM 640 O GLY A 39 -3.267 -5.951 1.042 1.00 0.00 O ATOM 0 H GLY A 39 -1.730 -4.551 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.888 -6.077 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.140 -4.846 0.106 1.00 0.00 H new ATOM 644 N ARG A 40 -2.881 -7.533 -0.504 1.00 0.00 N ATOM 645 CA ARG A 40 -3.826 -8.474 0.081 1.00 0.00 C ATOM 646 C ARG A 40 -3.113 -9.395 1.060 1.00 0.00 C ATOM 647 O ARG A 40 -2.570 -10.430 0.673 1.00 0.00 O ATOM 648 CB ARG A 40 -4.519 -9.294 -1.005 1.00 0.00 C ATOM 649 CG ARG A 40 -6.027 -9.369 -0.829 1.00 0.00 C ATOM 650 CD ARG A 40 -6.423 -10.494 0.113 1.00 0.00 C ATOM 651 NE ARG A 40 -7.795 -10.941 -0.111 1.00 0.00 N ATOM 652 CZ ARG A 40 -8.181 -11.634 -1.178 1.00 0.00 C ATOM 653 NH1 ARG A 40 -7.301 -11.957 -2.118 1.00 0.00 N ATOM 654 NH2 ARG A 40 -9.448 -12.005 -1.308 1.00 0.00 N ATOM 0 H ARG A 40 -2.411 -7.870 -1.344 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.586 -7.906 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.295 -8.858 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.109 -10.304 -1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.396 -8.420 -0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.500 -9.522 -1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.742 -11.335 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.316 -10.157 1.144 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.497 -10.708 0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.326 -11.673 -2.023 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.600 -12.489 -2.935 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.128 -11.759 -0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.742 -12.537 -2.127 1.00 0.00 H new ATOM 668 N ALA A 41 -3.084 -8.987 2.320 1.00 0.00 N ATOM 669 CA ALA A 41 -2.413 -9.759 3.356 1.00 0.00 C ATOM 670 C ALA A 41 -3.393 -10.644 4.112 1.00 0.00 C ATOM 671 O ALA A 41 -4.329 -10.152 4.736 1.00 0.00 O ATOM 672 CB ALA A 41 -1.693 -8.831 4.319 1.00 0.00 C ATOM 0 H ALA A 41 -3.518 -8.125 2.650 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.683 -10.407 2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.195 -9.421 5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.952 -8.245 3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.414 -8.160 4.785 1.00 0.00 H new ATOM 678 N ASP A 42 -3.162 -11.950 4.064 1.00 0.00 N ATOM 679 CA ASP A 42 -4.016 -12.897 4.764 1.00 0.00 C ATOM 680 C ASP A 42 -3.612 -12.994 6.231 1.00 0.00 C ATOM 681 O ASP A 42 -4.462 -13.120 7.113 1.00 0.00 O ATOM 682 CB ASP A 42 -3.931 -14.277 4.109 1.00 0.00 C ATOM 683 CG ASP A 42 -4.839 -15.291 4.776 1.00 0.00 C ATOM 684 OD1 ASP A 42 -6.019 -14.962 5.018 1.00 0.00 O ATOM 685 OD2 ASP A 42 -4.369 -16.412 5.061 1.00 0.00 O ATOM 0 H ASP A 42 -2.392 -12.375 3.548 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.044 -12.541 4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.197 -14.193 3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.902 -14.633 4.150 1.00 0.00 H new ATOM 690 N ASP A 43 -2.307 -12.970 6.476 1.00 0.00 N ATOM 691 CA ASP A 43 -1.780 -13.043 7.833 1.00 0.00 C ATOM 692 C ASP A 43 -1.653 -11.654 8.446 1.00 0.00 C ATOM 693 O ASP A 43 -1.140 -10.732 7.810 1.00 0.00 O ATOM 694 CB ASP A 43 -0.417 -13.738 7.834 1.00 0.00 C ATOM 695 CG ASP A 43 -0.525 -15.225 8.105 1.00 0.00 C ATOM 696 OD1 ASP A 43 -1.032 -15.953 7.225 1.00 0.00 O ATOM 697 OD2 ASP A 43 -0.103 -15.663 9.195 1.00 0.00 O ATOM 0 H ASP A 43 -1.593 -12.900 5.751 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.479 -13.622 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.068 -13.582 6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.221 -13.279 8.590 1.00 0.00 H new ATOM 702 N PHE A 44 -2.118 -11.508 9.682 1.00 0.00 N ATOM 703 CA PHE A 44 -2.031 -10.231 10.384 1.00 0.00 C ATOM 704 C PHE A 44 -0.585 -9.753 10.446 1.00 0.00 C ATOM 705 O PHE A 44 -0.309 -8.558 10.332 1.00 0.00 O ATOM 706 CB PHE A 44 -2.602 -10.357 11.796 1.00 0.00 C ATOM 707 CG PHE A 44 -2.785 -9.037 12.491 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.970 -8.330 12.365 1.00 0.00 C ATOM 709 CD2 PHE A 44 -1.772 -8.505 13.273 1.00 0.00 C ATOM 710 CE1 PHE A 44 -4.140 -7.116 13.003 1.00 0.00 C ATOM 711 CE2 PHE A 44 -1.936 -7.291 13.914 1.00 0.00 C ATOM 712 CZ PHE A 44 -3.123 -6.597 13.779 1.00 0.00 C ATOM 0 H PHE A 44 -2.558 -12.256 10.218 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.619 -9.497 9.832 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.563 -10.868 11.746 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.939 -10.983 12.393 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.770 -8.732 11.761 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.843 -9.045 13.383 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.068 -6.574 12.895 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.138 -6.886 14.519 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.255 -5.649 14.280 1.00 0.00 H new ATOM 722 N GLU A 45 0.335 -10.697 10.629 1.00 0.00 N ATOM 723 CA GLU A 45 1.757 -10.378 10.691 1.00 0.00 C ATOM 724 C GLU A 45 2.248 -9.871 9.341 1.00 0.00 C ATOM 725 O GLU A 45 2.999 -8.899 9.264 1.00 0.00 O ATOM 726 CB GLU A 45 2.560 -11.611 11.110 1.00 0.00 C ATOM 727 CG GLU A 45 3.033 -11.566 12.553 1.00 0.00 C ATOM 728 CD GLU A 45 3.769 -12.826 12.964 1.00 0.00 C ATOM 729 OE1 GLU A 45 3.108 -13.871 13.138 1.00 0.00 O ATOM 730 OE2 GLU A 45 5.009 -12.768 13.113 1.00 0.00 O ATOM 0 H GLU A 45 0.120 -11.688 10.737 1.00 0.00 H new ATOM 0 HA GLU A 45 1.902 -9.593 11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.947 -12.500 10.965 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.426 -11.710 10.455 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.688 -10.706 12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.174 -11.421 13.209 1.00 0.00 H new ATOM 737 N GLU A 46 1.800 -10.530 8.277 1.00 0.00 N ATOM 738 CA GLU A 46 2.174 -10.141 6.924 1.00 0.00 C ATOM 739 C GLU A 46 1.566 -8.788 6.574 1.00 0.00 C ATOM 740 O GLU A 46 2.086 -8.062 5.727 1.00 0.00 O ATOM 741 CB GLU A 46 1.707 -11.197 5.921 1.00 0.00 C ATOM 742 CG GLU A 46 2.447 -12.517 6.040 1.00 0.00 C ATOM 743 CD GLU A 46 2.089 -13.487 4.932 1.00 0.00 C ATOM 744 OE1 GLU A 46 2.081 -13.068 3.756 1.00 0.00 O ATOM 745 OE2 GLU A 46 1.814 -14.665 5.241 1.00 0.00 O ATOM 0 H GLU A 46 1.177 -11.336 8.327 1.00 0.00 H new ATOM 0 HA GLU A 46 3.260 -10.062 6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.641 -11.374 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.835 -10.808 4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.521 -12.330 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.219 -12.972 7.004 1.00 0.00 H new ATOM 752 N ALA A 47 0.458 -8.460 7.234 1.00 0.00 N ATOM 753 CA ALA A 47 -0.221 -7.190 7.014 1.00 0.00 C ATOM 754 C ALA A 47 0.709 -6.018 7.312 1.00 0.00 C ATOM 755 O ALA A 47 0.858 -5.109 6.497 1.00 0.00 O ATOM 756 CB ALA A 47 -1.474 -7.107 7.874 1.00 0.00 C ATOM 0 H ALA A 47 0.012 -9.060 7.928 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.512 -7.134 5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.972 -6.153 7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.149 -7.922 7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.199 -7.186 8.926 1.00 0.00 H new ATOM 762 N SER A 48 1.330 -6.051 8.487 1.00 0.00 N ATOM 763 CA SER A 48 2.250 -4.997 8.900 1.00 0.00 C ATOM 764 C SER A 48 3.418 -4.877 7.925 1.00 0.00 C ATOM 765 O SER A 48 3.894 -3.777 7.644 1.00 0.00 O ATOM 766 CB SER A 48 2.776 -5.280 10.309 1.00 0.00 C ATOM 767 OG SER A 48 3.428 -4.143 10.848 1.00 0.00 O ATOM 0 H SER A 48 1.212 -6.798 9.171 1.00 0.00 H new ATOM 0 HA SER A 48 1.705 -4.053 8.901 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.950 -5.571 10.958 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.469 -6.121 10.280 1.00 0.00 H new ATOM 0 HG SER A 48 3.754 -4.349 11.749 1.00 0.00 H new ATOM 773 N GLU A 49 3.874 -6.016 7.415 1.00 0.00 N ATOM 774 CA GLU A 49 4.990 -6.043 6.476 1.00 0.00 C ATOM 775 C GLU A 49 4.591 -5.439 5.133 1.00 0.00 C ATOM 776 O GLU A 49 5.377 -4.735 4.500 1.00 0.00 O ATOM 777 CB GLU A 49 5.478 -7.478 6.276 1.00 0.00 C ATOM 778 CG GLU A 49 6.752 -7.801 7.040 1.00 0.00 C ATOM 779 CD GLU A 49 7.854 -8.326 6.141 1.00 0.00 C ATOM 780 OE1 GLU A 49 7.546 -9.112 5.220 1.00 0.00 O ATOM 781 OE2 GLU A 49 9.027 -7.952 6.357 1.00 0.00 O ATOM 0 H GLU A 49 3.488 -6.934 7.636 1.00 0.00 H new ATOM 0 HA GLU A 49 5.798 -5.444 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.693 -8.166 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.648 -7.650 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.102 -6.904 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.532 -8.541 7.809 1.00 0.00 H new ATOM 788 N LEU A 50 3.365 -5.724 4.704 1.00 0.00 N ATOM 789 CA LEU A 50 2.856 -5.208 3.438 1.00 0.00 C ATOM 790 C LEU A 50 2.667 -3.697 3.507 1.00 0.00 C ATOM 791 O LEU A 50 2.998 -2.974 2.568 1.00 0.00 O ATOM 792 CB LEU A 50 1.529 -5.888 3.092 1.00 0.00 C ATOM 793 CG LEU A 50 1.616 -6.959 2.001 1.00 0.00 C ATOM 794 CD1 LEU A 50 2.429 -8.149 2.484 1.00 0.00 C ATOM 795 CD2 LEU A 50 0.224 -7.399 1.575 1.00 0.00 C ATOM 0 H LEU A 50 2.705 -6.310 5.215 1.00 0.00 H new ATOM 0 HA LEU A 50 3.585 -5.427 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.125 -6.344 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.819 -5.125 2.775 1.00 0.00 H new ATOM 0 HG LEU A 50 2.120 -6.529 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.480 -8.899 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.437 -7.822 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.954 -8.580 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.305 -8.160 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.306 -7.811 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.326 -6.542 1.186 1.00 0.00 H new ATOM 807 N VAL A 51 2.151 -3.230 4.638 1.00 0.00 N ATOM 808 CA VAL A 51 1.919 -1.808 4.856 1.00 0.00 C ATOM 809 C VAL A 51 3.232 -1.030 4.893 1.00 0.00 C ATOM 810 O VAL A 51 3.332 0.059 4.329 1.00 0.00 O ATOM 811 CB VAL A 51 1.161 -1.572 6.175 1.00 0.00 C ATOM 812 CG1 VAL A 51 1.114 -0.091 6.516 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.242 -2.153 6.096 1.00 0.00 C ATOM 0 H VAL A 51 1.883 -3.822 5.424 1.00 0.00 H new ATOM 0 HA VAL A 51 1.317 -1.451 4.020 1.00 0.00 H new ATOM 0 HB VAL A 51 1.699 -2.084 6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.573 0.050 7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.130 0.290 6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.605 0.450 5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.762 -1.977 7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.789 -1.674 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.182 -3.225 5.910 1.00 0.00 H new ATOM 823 N ARG A 52 4.233 -1.590 5.568 1.00 0.00 N ATOM 824 CA ARG A 52 5.533 -0.936 5.678 1.00 0.00 C ATOM 825 C ARG A 52 6.152 -0.758 4.299 1.00 0.00 C ATOM 826 O ARG A 52 6.687 0.303 3.981 1.00 0.00 O ATOM 827 CB ARG A 52 6.471 -1.750 6.571 1.00 0.00 C ATOM 828 CG ARG A 52 7.550 -0.916 7.240 1.00 0.00 C ATOM 829 CD ARG A 52 7.151 -0.517 8.651 1.00 0.00 C ATOM 830 NE ARG A 52 8.268 0.062 9.394 1.00 0.00 N ATOM 831 CZ ARG A 52 8.652 1.331 9.282 1.00 0.00 C ATOM 832 NH1 ARG A 52 8.013 2.151 8.457 1.00 0.00 N ATOM 833 NH2 ARG A 52 9.676 1.779 9.994 1.00 0.00 N ATOM 0 H ARG A 52 4.169 -2.490 6.044 1.00 0.00 H new ATOM 0 HA ARG A 52 5.386 0.045 6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.883 -2.252 7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.944 -2.528 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.482 -1.481 7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.739 -0.021 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.334 0.203 8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.777 -1.392 9.183 1.00 0.00 H new ATOM 0 HE ARG A 52 8.783 -0.541 10.035 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.225 1.809 7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.310 3.123 8.373 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.170 1.151 10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.970 2.752 9.908 1.00 0.00 H new ATOM 847 N LYS A 53 6.064 -1.798 3.480 1.00 0.00 N ATOM 848 CA LYS A 53 6.566 -1.728 2.117 1.00 0.00 C ATOM 849 C LYS A 53 5.702 -0.774 1.301 1.00 0.00 C ATOM 850 O LYS A 53 6.190 -0.078 0.411 1.00 0.00 O ATOM 851 CB LYS A 53 6.569 -3.117 1.475 1.00 0.00 C ATOM 852 CG LYS A 53 7.890 -3.478 0.817 1.00 0.00 C ATOM 853 CD LYS A 53 7.760 -3.541 -0.696 1.00 0.00 C ATOM 854 CE LYS A 53 8.356 -4.824 -1.253 1.00 0.00 C ATOM 855 NZ LYS A 53 7.698 -6.033 -0.685 1.00 0.00 N ATOM 0 H LYS A 53 5.652 -2.695 3.735 1.00 0.00 H new ATOM 0 HA LYS A 53 7.591 -1.357 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.336 -3.861 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.776 -3.166 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.646 -2.741 1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.234 -4.441 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.708 -3.476 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.262 -2.682 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.254 -4.831 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.423 -4.854 -1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.696 -6.793 -1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.219 -6.348 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.718 -5.804 -0.421 1.00 0.00 H new ATOM 869 N LEU A 54 4.409 -0.760 1.616 1.00 0.00 N ATOM 870 CA LEU A 54 3.460 0.116 0.941 1.00 0.00 C ATOM 871 C LEU A 54 3.716 1.578 1.296 1.00 0.00 C ATOM 872 O LEU A 54 3.191 2.485 0.649 1.00 0.00 O ATOM 873 CB LEU A 54 2.028 -0.270 1.322 1.00 0.00 C ATOM 874 CG LEU A 54 1.173 -0.827 0.179 1.00 0.00 C ATOM 875 CD1 LEU A 54 0.945 0.235 -0.886 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.824 -2.063 -0.425 1.00 0.00 C ATOM 0 H LEU A 54 3.995 -1.349 2.338 1.00 0.00 H new ATOM 0 HA LEU A 54 3.592 -0.003 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.069 -1.013 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.529 0.608 1.732 1.00 0.00 H new ATOM 0 HG LEU A 54 0.204 -1.116 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.336 -0.180 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.431 1.089 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.905 0.558 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.201 -2.443 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.808 -1.802 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.930 -2.830 0.342 1.00 0.00 H new ATOM 888 N GLN A 55 4.520 1.799 2.333 1.00 0.00 N ATOM 889 CA GLN A 55 4.831 3.151 2.787 1.00 0.00 C ATOM 890 C GLN A 55 5.656 3.905 1.748 1.00 0.00 C ATOM 891 O GLN A 55 5.799 3.456 0.611 1.00 0.00 O ATOM 892 CB GLN A 55 5.588 3.105 4.116 1.00 0.00 C ATOM 893 CG GLN A 55 4.678 3.047 5.334 1.00 0.00 C ATOM 894 CD GLN A 55 3.751 4.244 5.426 1.00 0.00 C ATOM 895 OE1 GLN A 55 2.531 4.106 5.335 1.00 0.00 O ATOM 896 NE2 GLN A 55 4.328 5.426 5.607 1.00 0.00 N ATOM 0 H GLN A 55 4.968 1.059 2.874 1.00 0.00 H new ATOM 0 HA GLN A 55 3.889 3.681 2.928 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.244 2.234 4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.226 3.985 4.191 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.084 2.134 5.296 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.287 2.994 6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.343 5.492 5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.756 6.268 5.676 1.00 0.00 H new