USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 LYS NZ :NH3+ 163:sc= 0.00426 (180deg=0) USER MOD Set 1.2: A 55 THR OG1 : rot 96:sc= 1.29 USER MOD Set 2.1: A 39 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.0016) USER MOD Set 2.2: A 41 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0482) USER MOD Set 3.2: A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.0352 (180deg=-0.327) USER MOD Single : A 8 ASN : amide:sc= 0.262 X(o=0.26,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.384 X(o=0.38,f=-0.01) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0779 K(o=-0.078,f=-1.2) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 71:sc= 0.556 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.633 7.889 -2.090 1.00 0.00 N ATOM 2 CA MET A 1 12.415 7.153 -1.706 1.00 0.00 C ATOM 3 C MET A 1 12.677 6.465 -0.366 1.00 0.00 C ATOM 4 O MET A 1 12.978 5.270 -0.304 1.00 0.00 O ATOM 5 CB MET A 1 11.986 6.170 -2.805 1.00 0.00 C ATOM 6 CG MET A 1 11.450 6.894 -4.047 1.00 0.00 C ATOM 7 SD MET A 1 11.465 5.905 -5.569 1.00 0.00 S ATOM 8 CE MET A 1 9.998 4.868 -5.345 1.00 0.00 C ATOM 0 H1 MET A 1 13.381 8.663 -2.738 1.00 0.00 H new ATOM 0 H2 MET A 1 14.083 8.283 -1.239 1.00 0.00 H new ATOM 0 H3 MET A 1 14.295 7.242 -2.564 1.00 0.00 H new ATOM 0 HA MET A 1 11.578 7.841 -1.590 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.836 5.548 -3.087 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.218 5.503 -2.415 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.428 7.216 -3.850 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.042 7.794 -4.209 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.883 4.209 -6.206 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.111 4.269 -4.442 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.116 5.501 -5.253 1.00 0.00 H new ATOM 18 N LYS A 2 12.625 7.228 0.730 1.00 0.00 N ATOM 19 CA LYS A 2 12.990 6.759 2.067 1.00 0.00 C ATOM 20 C LYS A 2 11.796 6.090 2.744 1.00 0.00 C ATOM 21 O LYS A 2 10.660 6.274 2.301 1.00 0.00 O ATOM 22 CB LYS A 2 13.519 7.958 2.868 1.00 0.00 C ATOM 23 CG LYS A 2 14.476 7.537 3.980 1.00 0.00 C ATOM 24 CD LYS A 2 15.204 8.732 4.607 1.00 0.00 C ATOM 25 CE LYS A 2 16.588 8.333 5.131 1.00 0.00 C ATOM 26 NZ LYS A 2 16.518 7.261 6.138 1.00 0.00 N ATOM 0 H LYS A 2 12.324 8.202 0.711 1.00 0.00 H new ATOM 0 HA LYS A 2 13.773 6.003 2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.030 8.645 2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.679 8.501 3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.920 7.007 4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.210 6.838 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.309 9.525 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.607 9.136 5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 2 17.209 8.005 4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.074 9.206 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.461 7.108 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.854 7.534 6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.189 6.383 5.688 1.00 0.00 H new ATOM 40 N ALA A 3 12.034 5.275 3.772 1.00 0.00 N ATOM 41 CA ALA A 3 11.028 4.807 4.717 1.00 0.00 C ATOM 42 C ALA A 3 11.461 5.223 6.124 1.00 0.00 C ATOM 43 O ALA A 3 11.042 6.246 6.655 1.00 0.00 O ATOM 44 CB ALA A 3 10.824 3.299 4.549 1.00 0.00 C ATOM 0 H ALA A 3 12.966 4.912 3.974 1.00 0.00 H new ATOM 0 HA ALA A 3 10.055 5.261 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.071 2.953 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.491 3.088 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.765 2.781 4.737 1.00 0.00 H new ATOM 50 N SER A 4 12.285 4.372 6.737 1.00 0.00 N ATOM 51 CA SER A 4 12.495 4.159 8.163 1.00 0.00 C ATOM 52 C SER A 4 11.206 3.666 8.802 1.00 0.00 C ATOM 53 O SER A 4 11.164 2.543 9.294 1.00 0.00 O ATOM 54 CB SER A 4 13.114 5.384 8.849 1.00 0.00 C ATOM 55 OG SER A 4 14.310 5.744 8.175 1.00 0.00 O ATOM 0 H SER A 4 12.881 3.753 6.187 1.00 0.00 H new ATOM 0 HA SER A 4 13.239 3.375 8.304 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.411 6.217 8.836 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.325 5.162 9.895 1.00 0.00 H new ATOM 0 HG SER A 4 14.707 6.527 8.610 1.00 0.00 H new ATOM 61 N GLU A 5 10.148 4.448 8.653 1.00 0.00 N ATOM 62 CA GLU A 5 8.796 4.249 9.170 1.00 0.00 C ATOM 63 C GLU A 5 8.235 2.897 8.703 1.00 0.00 C ATOM 64 O GLU A 5 8.007 1.968 9.472 1.00 0.00 O ATOM 65 CB GLU A 5 7.947 5.475 8.746 1.00 0.00 C ATOM 66 CG GLU A 5 7.784 5.697 7.223 1.00 0.00 C ATOM 67 CD GLU A 5 7.650 7.158 6.780 1.00 0.00 C ATOM 68 OE1 GLU A 5 7.047 7.983 7.504 1.00 0.00 O ATOM 69 OE2 GLU A 5 8.058 7.474 5.635 1.00 0.00 O ATOM 0 H GLU A 5 10.216 5.315 8.121 1.00 0.00 H new ATOM 0 HA GLU A 5 8.781 4.194 10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.955 5.374 9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.397 6.369 9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.644 5.259 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.903 5.151 6.886 1.00 0.00 H new ATOM 76 N LEU A 6 8.118 2.750 7.389 1.00 0.00 N ATOM 77 CA LEU A 6 7.531 1.606 6.700 1.00 0.00 C ATOM 78 C LEU A 6 8.485 0.431 6.625 1.00 0.00 C ATOM 79 O LEU A 6 8.068 -0.689 6.358 1.00 0.00 O ATOM 80 CB LEU A 6 7.169 2.071 5.282 1.00 0.00 C ATOM 81 CG LEU A 6 5.772 2.710 5.250 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.664 3.542 3.978 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.665 1.661 5.297 1.00 0.00 C ATOM 0 H LEU A 6 8.448 3.464 6.740 1.00 0.00 H new ATOM 0 HA LEU A 6 6.655 1.263 7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.909 2.790 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.200 1.223 4.598 1.00 0.00 H new ATOM 0 HG LEU A 6 5.645 3.338 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.680 4.008 3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.432 4.316 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.803 2.898 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.694 2.155 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.756 0.997 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.753 1.080 6.215 1.00 0.00 H new ATOM 95 N ARG A 7 9.772 0.670 6.854 1.00 0.00 N ATOM 96 CA ARG A 7 10.742 -0.376 7.026 1.00 0.00 C ATOM 97 C ARG A 7 10.628 -0.983 8.420 1.00 0.00 C ATOM 98 O ARG A 7 11.086 -2.097 8.622 1.00 0.00 O ATOM 99 CB ARG A 7 12.107 0.263 6.763 1.00 0.00 C ATOM 100 CG ARG A 7 13.199 -0.781 6.617 1.00 0.00 C ATOM 101 CD ARG A 7 13.941 -1.115 7.912 1.00 0.00 C ATOM 102 NE ARG A 7 13.846 -2.547 8.228 1.00 0.00 N ATOM 103 CZ ARG A 7 14.863 -3.401 8.359 1.00 0.00 C ATOM 104 NH1 ARG A 7 16.118 -2.967 8.446 1.00 0.00 N ATOM 105 NH2 ARG A 7 14.597 -4.692 8.399 1.00 0.00 N ATOM 0 H ARG A 7 10.163 1.609 6.924 1.00 0.00 H new ATOM 0 HA ARG A 7 10.584 -1.205 6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.057 0.866 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.356 0.938 7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.758 -1.696 6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.922 -0.431 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.989 -0.830 7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.525 -0.531 8.733 1.00 0.00 H new ATOM 0 HE ARG A 7 12.908 -2.926 8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.315 -1.967 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.883 -3.635 8.546 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.632 -5.016 8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.356 -5.366 8.499 1.00 0.00 H new ATOM 119 N ASN A 8 10.044 -0.262 9.377 1.00 0.00 N ATOM 120 CA ASN A 8 10.127 -0.631 10.789 1.00 0.00 C ATOM 121 C ASN A 8 9.213 -1.800 11.148 1.00 0.00 C ATOM 122 O ASN A 8 9.209 -2.205 12.310 1.00 0.00 O ATOM 123 CB ASN A 8 9.794 0.563 11.705 1.00 0.00 C ATOM 124 CG ASN A 8 10.644 0.577 12.968 1.00 0.00 C ATOM 125 OD1 ASN A 8 11.588 1.358 13.062 1.00 0.00 O ATOM 126 ND2 ASN A 8 10.378 -0.259 13.951 1.00 0.00 N ATOM 0 H ASN A 8 9.506 0.586 9.198 1.00 0.00 H new ATOM 0 HA ASN A 8 11.159 -0.941 10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.947 1.492 11.157 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.740 0.525 11.980 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.956 -0.258 14.791 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.594 -0.907 13.872 1.00 0.00 H new ATOM 133 N TYR A 9 8.384 -2.319 10.237 1.00 0.00 N ATOM 134 CA TYR A 9 7.493 -3.399 10.566 1.00 0.00 C ATOM 135 C TYR A 9 8.307 -4.709 10.605 1.00 0.00 C ATOM 136 O TYR A 9 9.448 -4.736 10.129 1.00 0.00 O ATOM 137 CB TYR A 9 6.225 -3.220 9.716 1.00 0.00 C ATOM 138 CG TYR A 9 5.336 -2.111 10.255 1.00 0.00 C ATOM 139 CD1 TYR A 9 5.554 -0.784 9.823 1.00 0.00 C ATOM 140 CD2 TYR A 9 4.321 -2.376 11.192 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.724 0.259 10.266 1.00 0.00 C ATOM 142 CE2 TYR A 9 3.464 -1.344 11.610 1.00 0.00 C ATOM 143 CZ TYR A 9 3.654 -0.024 11.145 1.00 0.00 C ATOM 144 OH TYR A 9 2.806 0.965 11.532 1.00 0.00 O ATOM 0 H TYR A 9 8.323 -1.998 9.271 1.00 0.00 H new ATOM 0 HA TYR A 9 7.066 -3.423 11.569 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.506 -2.993 8.688 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.666 -4.156 9.695 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.367 -0.569 9.145 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.200 -3.373 11.590 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.903 1.272 9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.655 -1.562 12.291 1.00 0.00 H new ATOM 0 HH TYR A 9 2.128 0.597 12.136 1.00 0.00 H new ATOM 154 N THR A 10 7.800 -5.761 11.245 1.00 0.00 N ATOM 155 CA THR A 10 8.412 -7.090 11.205 1.00 0.00 C ATOM 156 C THR A 10 7.995 -7.732 9.882 1.00 0.00 C ATOM 157 O THR A 10 6.926 -7.401 9.409 1.00 0.00 O ATOM 158 CB THR A 10 7.891 -7.922 12.393 1.00 0.00 C ATOM 159 OG1 THR A 10 6.482 -8.030 12.367 1.00 0.00 O ATOM 160 CG2 THR A 10 8.230 -7.264 13.731 1.00 0.00 C ATOM 0 H THR A 10 6.951 -5.717 11.808 1.00 0.00 H new ATOM 0 HA THR A 10 9.498 -7.035 11.276 1.00 0.00 H new ATOM 0 HB THR A 10 8.368 -8.898 12.299 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.181 -8.564 13.131 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.847 -7.878 14.546 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.312 -7.168 13.826 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.773 -6.275 13.776 1.00 0.00 H new ATOM 168 N ASP A 11 8.763 -8.618 9.256 1.00 0.00 N ATOM 169 CA ASP A 11 8.474 -9.403 8.054 1.00 0.00 C ATOM 170 C ASP A 11 7.008 -9.815 8.033 1.00 0.00 C ATOM 171 O ASP A 11 6.327 -9.632 7.021 1.00 0.00 O ATOM 172 CB ASP A 11 9.424 -10.613 7.973 1.00 0.00 C ATOM 173 CG ASP A 11 10.914 -10.275 7.826 1.00 0.00 C ATOM 174 OD1 ASP A 11 11.340 -9.184 8.268 1.00 0.00 O ATOM 175 OD2 ASP A 11 11.708 -11.076 7.280 1.00 0.00 O ATOM 0 H ASP A 11 9.696 -8.827 9.611 1.00 0.00 H new ATOM 0 HA ASP A 11 8.648 -8.792 7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.293 -11.216 8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.125 -11.232 7.127 1.00 0.00 H new ATOM 180 N GLU A 12 6.499 -10.295 9.167 1.00 0.00 N ATOM 181 CA GLU A 12 5.109 -10.675 9.309 1.00 0.00 C ATOM 182 C GLU A 12 4.114 -9.510 9.306 1.00 0.00 C ATOM 183 O GLU A 12 3.003 -9.661 8.798 1.00 0.00 O ATOM 184 CB GLU A 12 4.918 -11.453 10.611 1.00 0.00 C ATOM 185 CG GLU A 12 5.210 -12.945 10.461 1.00 0.00 C ATOM 186 CD GLU A 12 5.151 -13.630 11.824 1.00 0.00 C ATOM 187 OE1 GLU A 12 4.164 -13.417 12.569 1.00 0.00 O ATOM 188 OE2 GLU A 12 6.110 -14.356 12.175 1.00 0.00 O ATOM 0 H GLU A 12 7.050 -10.429 10.015 1.00 0.00 H new ATOM 0 HA GLU A 12 4.891 -11.278 8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.571 -11.035 11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.894 -11.322 10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.485 -13.399 9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.195 -13.088 10.016 1.00 0.00 H new ATOM 195 N GLU A 13 4.462 -8.376 9.903 1.00 0.00 N ATOM 196 CA GLU A 13 3.695 -7.148 9.807 1.00 0.00 C ATOM 197 C GLU A 13 3.792 -6.569 8.408 1.00 0.00 C ATOM 198 O GLU A 13 2.774 -6.127 7.912 1.00 0.00 O ATOM 199 CB GLU A 13 4.207 -6.083 10.777 1.00 0.00 C ATOM 200 CG GLU A 13 3.655 -6.201 12.191 1.00 0.00 C ATOM 201 CD GLU A 13 2.190 -5.764 12.297 1.00 0.00 C ATOM 202 OE1 GLU A 13 1.289 -6.524 11.872 1.00 0.00 O ATOM 203 OE2 GLU A 13 1.893 -4.709 12.896 1.00 0.00 O ATOM 0 H GLU A 13 5.301 -8.287 10.477 1.00 0.00 H new ATOM 0 HA GLU A 13 2.665 -7.406 10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.295 -6.140 10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.955 -5.099 10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.746 -7.234 12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.260 -5.593 12.864 1.00 0.00 H new ATOM 210 N LEU A 14 4.980 -6.524 7.786 1.00 0.00 N ATOM 211 CA LEU A 14 5.223 -5.884 6.499 1.00 0.00 C ATOM 212 C LEU A 14 4.148 -6.404 5.554 1.00 0.00 C ATOM 213 O LEU A 14 3.309 -5.633 5.104 1.00 0.00 O ATOM 214 CB LEU A 14 6.645 -6.134 5.917 1.00 0.00 C ATOM 215 CG LEU A 14 7.896 -5.302 6.325 1.00 0.00 C ATOM 216 CD1 LEU A 14 7.720 -3.811 6.643 1.00 0.00 C ATOM 217 CD2 LEU A 14 8.751 -5.858 7.421 1.00 0.00 C ATOM 0 H LEU A 14 5.819 -6.947 8.183 1.00 0.00 H new ATOM 0 HA LEU A 14 5.176 -4.803 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.886 -7.176 6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.555 -6.043 4.835 1.00 0.00 H new ATOM 0 HG LEU A 14 8.391 -5.396 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.685 -3.379 6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.321 -3.297 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.029 -3.696 7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.587 -5.184 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.157 -5.960 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.132 -6.835 7.125 1.00 0.00 H new ATOM 229 N LYS A 15 4.079 -7.713 5.312 1.00 0.00 N ATOM 230 CA LYS A 15 3.018 -8.278 4.503 1.00 0.00 C ATOM 231 C LYS A 15 1.667 -7.817 4.997 1.00 0.00 C ATOM 232 O LYS A 15 0.982 -7.154 4.244 1.00 0.00 O ATOM 233 CB LYS A 15 3.099 -9.799 4.402 1.00 0.00 C ATOM 234 CG LYS A 15 3.250 -10.638 5.686 1.00 0.00 C ATOM 235 CD LYS A 15 1.960 -11.310 6.202 1.00 0.00 C ATOM 236 CE LYS A 15 1.312 -12.306 5.230 1.00 0.00 C ATOM 237 NZ LYS A 15 2.102 -13.540 5.068 1.00 0.00 N ATOM 0 H LYS A 15 4.748 -8.395 5.668 1.00 0.00 H new ATOM 0 HA LYS A 15 3.153 -7.905 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.198 -10.141 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.942 -10.039 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.995 -11.413 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.643 -9.995 6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.187 -11.830 7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.234 -10.533 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.316 -12.562 5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.187 -11.829 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.619 -14.176 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.045 -13.303 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.200 -14.013 5.989 1.00 0.00 H new ATOM 251 N ASN A 16 1.311 -8.072 6.245 1.00 0.00 N ATOM 252 CA ASN A 16 -0.033 -7.857 6.770 1.00 0.00 C ATOM 253 C ASN A 16 -0.478 -6.390 6.765 1.00 0.00 C ATOM 254 O ASN A 16 -1.670 -6.088 6.851 1.00 0.00 O ATOM 255 CB ASN A 16 0.002 -8.410 8.203 1.00 0.00 C ATOM 256 CG ASN A 16 -1.214 -8.100 9.061 1.00 0.00 C ATOM 257 OD1 ASN A 16 -2.343 -8.399 8.686 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.004 -7.566 10.254 1.00 0.00 N ATOM 0 H ASN A 16 1.960 -8.442 6.939 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.763 -8.359 6.134 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.121 -9.492 8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.886 -8.015 8.703 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.790 -7.396 10.882 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.057 -7.325 10.545 1.00 0.00 H new ATOM 265 N LEU A 17 0.466 -5.472 6.597 1.00 0.00 N ATOM 266 CA LEU A 17 0.212 -4.037 6.575 1.00 0.00 C ATOM 267 C LEU A 17 0.096 -3.630 5.114 1.00 0.00 C ATOM 268 O LEU A 17 -0.850 -2.962 4.695 1.00 0.00 O ATOM 269 CB LEU A 17 1.389 -3.293 7.238 1.00 0.00 C ATOM 270 CG LEU A 17 1.314 -2.939 8.730 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.562 -1.632 8.953 1.00 0.00 C ATOM 272 CD2 LEU A 17 0.705 -4.017 9.615 1.00 0.00 C ATOM 0 H LEU A 17 1.450 -5.709 6.470 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.699 -3.789 7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.283 -3.899 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.539 -2.364 6.689 1.00 0.00 H new ATOM 0 HG LEU A 17 2.357 -2.838 9.031 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.527 -1.410 10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.074 -0.824 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.453 -1.726 8.568 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.695 -3.675 10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.315 -4.221 9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.299 -4.928 9.539 1.00 0.00 H new ATOM 284 N LEU A 18 1.093 -4.014 4.324 1.00 0.00 N ATOM 285 CA LEU A 18 1.269 -3.544 2.967 1.00 0.00 C ATOM 286 C LEU A 18 0.270 -4.252 2.062 1.00 0.00 C ATOM 287 O LEU A 18 -0.146 -3.687 1.045 1.00 0.00 O ATOM 288 CB LEU A 18 2.727 -3.785 2.492 1.00 0.00 C ATOM 289 CG LEU A 18 3.930 -3.354 3.385 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.049 -2.649 2.643 1.00 0.00 C ATOM 291 CD2 LEU A 18 3.628 -2.539 4.645 1.00 0.00 C ATOM 0 H LEU A 18 1.812 -4.674 4.621 1.00 0.00 H new ATOM 0 HA LEU A 18 1.086 -2.470 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.832 -4.854 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.841 -3.280 1.533 1.00 0.00 H new ATOM 0 HG LEU A 18 4.247 -4.344 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.842 -2.387 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.449 -3.310 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.662 -1.743 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.559 -2.313 5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.132 -1.609 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.977 -3.114 5.303 1.00 0.00 H new ATOM 303 N GLU A 19 -0.115 -5.477 2.413 1.00 0.00 N ATOM 304 CA GLU A 19 -1.206 -6.207 1.786 1.00 0.00 C ATOM 305 C GLU A 19 -2.558 -5.524 2.025 1.00 0.00 C ATOM 306 O GLU A 19 -3.428 -5.647 1.162 1.00 0.00 O ATOM 307 CB GLU A 19 -1.203 -7.675 2.253 1.00 0.00 C ATOM 308 CG GLU A 19 -1.906 -7.979 3.576 1.00 0.00 C ATOM 309 CD GLU A 19 -1.701 -9.458 3.972 1.00 0.00 C ATOM 310 OE1 GLU A 19 -0.737 -10.121 3.504 1.00 0.00 O ATOM 311 OE2 GLU A 19 -2.535 -10.001 4.729 1.00 0.00 O ATOM 0 H GLU A 19 0.338 -6.000 3.162 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.049 -6.200 0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.668 -8.280 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.167 -8.003 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.516 -7.329 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.971 -7.765 3.486 1.00 0.00 H new ATOM 318 N GLU A 20 -2.737 -4.807 3.145 1.00 0.00 N ATOM 319 CA GLU A 20 -3.971 -4.096 3.476 1.00 0.00 C ATOM 320 C GLU A 20 -4.137 -2.901 2.543 1.00 0.00 C ATOM 321 O GLU A 20 -5.162 -2.764 1.880 1.00 0.00 O ATOM 322 CB GLU A 20 -3.983 -3.642 4.944 1.00 0.00 C ATOM 323 CG GLU A 20 -5.357 -3.114 5.387 1.00 0.00 C ATOM 324 CD GLU A 20 -6.373 -4.241 5.561 1.00 0.00 C ATOM 325 OE1 GLU A 20 -6.172 -5.082 6.467 1.00 0.00 O ATOM 326 OE2 GLU A 20 -7.377 -4.277 4.813 1.00 0.00 O ATOM 0 H GLU A 20 -2.012 -4.706 3.856 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.809 -4.779 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.696 -4.478 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.235 -2.862 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.252 -2.572 6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.727 -2.402 4.649 1.00 0.00 H new ATOM 333 N LYS A 21 -3.110 -2.054 2.425 1.00 0.00 N ATOM 334 CA LYS A 21 -3.077 -0.968 1.472 1.00 0.00 C ATOM 335 C LYS A 21 -3.349 -1.564 0.090 1.00 0.00 C ATOM 336 O LYS A 21 -4.338 -1.191 -0.543 1.00 0.00 O ATOM 337 CB LYS A 21 -1.735 -0.217 1.624 1.00 0.00 C ATOM 338 CG LYS A 21 -1.489 0.410 3.009 1.00 0.00 C ATOM 339 CD LYS A 21 -2.567 1.338 3.590 1.00 0.00 C ATOM 340 CE LYS A 21 -2.651 2.739 2.955 1.00 0.00 C ATOM 341 NZ LYS A 21 -3.300 3.692 3.887 1.00 0.00 N ATOM 0 H LYS A 21 -2.271 -2.114 3.003 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.846 -0.214 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.922 -0.910 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.691 0.571 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.332 -0.402 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.557 0.973 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.536 0.851 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.385 1.453 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.651 3.091 2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.216 2.690 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.349 4.632 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.262 3.362 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.745 3.751 4.765 1.00 0.00 H new ATOM 355 N LYS A 22 -2.503 -2.477 -0.412 1.00 0.00 N ATOM 356 CA LYS A 22 -2.687 -3.081 -1.730 1.00 0.00 C ATOM 357 C LYS A 22 -4.119 -3.575 -1.982 1.00 0.00 C ATOM 358 O LYS A 22 -4.618 -3.296 -3.080 1.00 0.00 O ATOM 359 CB LYS A 22 -1.646 -4.194 -1.907 1.00 0.00 C ATOM 360 CG LYS A 22 -1.700 -4.812 -3.306 1.00 0.00 C ATOM 361 CD LYS A 22 -0.736 -5.991 -3.456 1.00 0.00 C ATOM 362 CE LYS A 22 -1.173 -6.759 -4.704 1.00 0.00 C ATOM 363 NZ LYS A 22 -0.285 -7.888 -5.018 1.00 0.00 N ATOM 0 H LYS A 22 -1.678 -2.812 0.085 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.531 -2.311 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.650 -3.790 -1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.815 -4.970 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.716 -5.147 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.458 -4.050 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.291 -5.641 -3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.769 -6.632 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.188 -7.130 -4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.200 -6.077 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.628 -8.372 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.679 -7.536 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.277 -8.556 -4.221 1.00 0.00 H new ATOM 377 N ARG A 23 -4.772 -4.272 -1.035 1.00 0.00 N ATOM 378 CA ARG A 23 -6.178 -4.636 -1.219 1.00 0.00 C ATOM 379 C ARG A 23 -7.046 -3.395 -1.278 1.00 0.00 C ATOM 380 O ARG A 23 -7.746 -3.241 -2.271 1.00 0.00 O ATOM 381 CB ARG A 23 -6.720 -5.677 -0.220 1.00 0.00 C ATOM 382 CG ARG A 23 -6.800 -5.290 1.260 1.00 0.00 C ATOM 383 CD ARG A 23 -7.306 -6.420 2.157 1.00 0.00 C ATOM 384 NE ARG A 23 -8.713 -6.762 1.898 1.00 0.00 N ATOM 385 CZ ARG A 23 -9.371 -7.776 2.460 1.00 0.00 C ATOM 386 NH1 ARG A 23 -8.821 -8.461 3.448 1.00 0.00 N ATOM 387 NH2 ARG A 23 -10.578 -8.089 2.022 1.00 0.00 N ATOM 0 H ARG A 23 -4.357 -4.585 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.225 -5.149 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.722 -5.959 -0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.097 -6.568 -0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.812 -4.980 1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.459 -4.428 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.687 -7.304 2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.193 -6.128 3.201 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.225 -6.178 1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.890 -8.214 3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.328 -9.236 3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.998 -7.556 1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.089 -8.863 2.446 1.00 0.00 H new ATOM 401 N GLN A 24 -6.998 -2.518 -0.273 1.00 0.00 N ATOM 402 CA GLN A 24 -7.879 -1.380 -0.130 1.00 0.00 C ATOM 403 C GLN A 24 -7.991 -0.625 -1.440 1.00 0.00 C ATOM 404 O GLN A 24 -9.100 -0.396 -1.886 1.00 0.00 O ATOM 405 CB GLN A 24 -7.385 -0.436 0.971 1.00 0.00 C ATOM 406 CG GLN A 24 -7.929 -0.744 2.382 1.00 0.00 C ATOM 407 CD GLN A 24 -8.325 0.502 3.185 1.00 0.00 C ATOM 408 OE1 GLN A 24 -8.031 1.647 2.826 1.00 0.00 O ATOM 409 NE2 GLN A 24 -9.033 0.331 4.287 1.00 0.00 N ATOM 0 H GLN A 24 -6.318 -2.592 0.484 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.863 -1.755 0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.296 -0.474 1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.661 0.585 0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.798 -1.396 2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.173 -1.297 2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.281 -0.610 4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.331 1.140 4.832 1.00 0.00 H new ATOM 418 N LEU A 25 -6.890 -0.278 -2.111 1.00 0.00 N ATOM 419 CA LEU A 25 -6.979 0.411 -3.401 1.00 0.00 C ATOM 420 C LEU A 25 -7.914 -0.319 -4.365 1.00 0.00 C ATOM 421 O LEU A 25 -8.833 0.290 -4.913 1.00 0.00 O ATOM 422 CB LEU A 25 -5.569 0.547 -3.963 1.00 0.00 C ATOM 423 CG LEU A 25 -5.375 1.046 -5.409 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.607 -0.009 -6.496 1.00 0.00 C ATOM 425 CD2 LEU A 25 -6.195 2.308 -5.684 1.00 0.00 C ATOM 0 H LEU A 25 -5.939 -0.459 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.411 1.402 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.019 1.223 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.091 -0.430 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.315 1.290 -5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.447 0.438 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.910 -0.835 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.629 -0.381 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.033 2.630 -6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.253 2.094 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.884 3.100 -5.002 1.00 0.00 H new ATOM 437 N MET A 26 -7.686 -1.615 -4.568 1.00 0.00 N ATOM 438 CA MET A 26 -8.451 -2.449 -5.465 1.00 0.00 C ATOM 439 C MET A 26 -9.918 -2.607 -5.008 1.00 0.00 C ATOM 440 O MET A 26 -10.800 -2.814 -5.846 1.00 0.00 O ATOM 441 CB MET A 26 -7.662 -3.761 -5.553 1.00 0.00 C ATOM 442 CG MET A 26 -8.429 -4.939 -6.115 1.00 0.00 C ATOM 443 SD MET A 26 -8.876 -4.818 -7.869 1.00 0.00 S ATOM 444 CE MET A 26 -9.912 -6.302 -7.987 1.00 0.00 C ATOM 0 H MET A 26 -6.938 -2.120 -4.093 1.00 0.00 H new ATOM 0 HA MET A 26 -8.560 -2.010 -6.457 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.780 -3.595 -6.171 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.308 -4.021 -4.555 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.832 -5.840 -5.972 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.342 -5.066 -5.534 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.287 -6.404 -9.005 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.320 -7.180 -7.729 1.00 0.00 H new ATOM 0 HE3 MET A 26 -10.752 -6.215 -7.298 1.00 0.00 H new ATOM 454 N GLU A 27 -10.204 -2.459 -3.715 1.00 0.00 N ATOM 455 CA GLU A 27 -11.545 -2.661 -3.155 1.00 0.00 C ATOM 456 C GLU A 27 -12.318 -1.343 -3.177 1.00 0.00 C ATOM 457 O GLU A 27 -13.490 -1.280 -3.522 1.00 0.00 O ATOM 458 CB GLU A 27 -11.461 -3.192 -1.712 1.00 0.00 C ATOM 459 CG GLU A 27 -10.503 -4.384 -1.544 1.00 0.00 C ATOM 460 CD GLU A 27 -11.133 -5.589 -0.864 1.00 0.00 C ATOM 461 OE1 GLU A 27 -11.982 -6.264 -1.490 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.777 -5.888 0.293 1.00 0.00 O ATOM 0 H GLU A 27 -9.508 -2.193 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.066 -3.399 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.139 -2.384 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.457 -3.490 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.136 -4.684 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.638 -4.063 -0.964 1.00 0.00 H new ATOM 469 N LEU A 28 -11.655 -0.238 -2.867 1.00 0.00 N ATOM 470 CA LEU A 28 -12.221 1.090 -2.920 1.00 0.00 C ATOM 471 C LEU A 28 -12.587 1.425 -4.365 1.00 0.00 C ATOM 472 O LEU A 28 -13.677 1.934 -4.624 1.00 0.00 O ATOM 473 CB LEU A 28 -11.204 2.067 -2.326 1.00 0.00 C ATOM 474 CG LEU A 28 -10.894 1.913 -0.825 1.00 0.00 C ATOM 475 CD1 LEU A 28 -9.725 2.847 -0.504 1.00 0.00 C ATOM 476 CD2 LEU A 28 -12.046 2.178 0.141 1.00 0.00 C ATOM 0 H LEU A 28 -10.681 -0.248 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.138 1.159 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.270 1.964 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.566 3.081 -2.497 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.665 0.859 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.475 2.766 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.859 2.566 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.007 3.875 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.702 2.037 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.399 3.201 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.861 1.485 -0.066 1.00 0.00 H new ATOM 488 N ARG A 29 -11.746 1.078 -5.344 1.00 0.00 N ATOM 489 CA ARG A 29 -12.119 1.283 -6.752 1.00 0.00 C ATOM 490 C ARG A 29 -13.366 0.464 -7.094 1.00 0.00 C ATOM 491 O ARG A 29 -14.182 0.930 -7.883 1.00 0.00 O ATOM 492 CB ARG A 29 -10.959 1.039 -7.740 1.00 0.00 C ATOM 493 CG ARG A 29 -10.474 -0.414 -7.768 1.00 0.00 C ATOM 494 CD ARG A 29 -9.370 -0.694 -8.790 1.00 0.00 C ATOM 495 NE ARG A 29 -9.914 -0.928 -10.134 1.00 0.00 N ATOM 496 CZ ARG A 29 -9.222 -1.329 -11.204 1.00 0.00 C ATOM 497 NH1 ARG A 29 -7.913 -1.533 -11.132 1.00 0.00 N ATOM 498 NH2 ARG A 29 -9.857 -1.533 -12.352 1.00 0.00 N ATOM 0 H ARG A 29 -10.825 0.664 -5.197 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.361 2.339 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.279 1.326 -8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.124 1.687 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.110 -0.682 -6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.323 -1.063 -7.982 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.680 0.149 -8.819 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.795 -1.565 -8.474 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.913 -0.770 -10.262 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.421 -1.384 -10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.398 -1.839 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.864 -1.383 -12.411 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.338 -1.839 -13.175 1.00 0.00 H new ATOM 512 N PHE A 30 -13.560 -0.697 -6.462 1.00 0.00 N ATOM 513 CA PHE A 30 -14.772 -1.487 -6.602 1.00 0.00 C ATOM 514 C PHE A 30 -15.976 -0.771 -5.966 1.00 0.00 C ATOM 515 O PHE A 30 -17.066 -0.898 -6.520 1.00 0.00 O ATOM 516 CB PHE A 30 -14.541 -2.907 -6.042 1.00 0.00 C ATOM 517 CG PHE A 30 -15.761 -3.803 -5.951 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.590 -3.741 -4.812 1.00 0.00 C ATOM 519 CD2 PHE A 30 -16.031 -4.747 -6.959 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.675 -4.625 -4.680 1.00 0.00 C ATOM 521 CE2 PHE A 30 -17.123 -5.625 -6.832 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.935 -5.570 -5.687 1.00 0.00 C ATOM 0 H PHE A 30 -12.871 -1.113 -5.835 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.015 -1.595 -7.659 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.798 -3.404 -6.666 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.110 -2.815 -5.045 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.391 -3.013 -4.040 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.398 -4.798 -7.833 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.308 -4.578 -3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.337 -6.340 -7.613 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.762 -6.256 -5.580 1.00 0.00 H new ATOM 532 N GLN A 31 -15.841 0.013 -4.884 1.00 0.00 N ATOM 533 CA GLN A 31 -16.942 0.726 -4.267 1.00 0.00 C ATOM 534 C GLN A 31 -17.291 1.895 -5.168 1.00 0.00 C ATOM 535 O GLN A 31 -18.458 2.182 -5.378 1.00 0.00 O ATOM 536 CB GLN A 31 -16.557 1.230 -2.864 1.00 0.00 C ATOM 537 CG GLN A 31 -16.282 0.071 -1.896 1.00 0.00 C ATOM 538 CD GLN A 31 -16.251 0.495 -0.429 1.00 0.00 C ATOM 539 OE1 GLN A 31 -15.976 1.644 -0.088 1.00 0.00 O ATOM 540 NE2 GLN A 31 -16.551 -0.425 0.475 1.00 0.00 N ATOM 0 H GLN A 31 -14.947 0.163 -4.416 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.797 0.061 -4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.671 1.862 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.360 1.851 -2.468 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.049 -0.692 -2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.327 -0.388 -2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.777 -1.375 0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -16.556 -0.184 1.466 1.00 0.00 H new ATOM 549 N LEU A 32 -16.296 2.564 -5.741 1.00 0.00 N ATOM 550 CA LEU A 32 -16.497 3.675 -6.656 1.00 0.00 C ATOM 551 C LEU A 32 -17.270 3.216 -7.879 1.00 0.00 C ATOM 552 O LEU A 32 -18.283 3.804 -8.245 1.00 0.00 O ATOM 553 CB LEU A 32 -15.118 4.217 -7.029 1.00 0.00 C ATOM 554 CG LEU A 32 -15.118 5.403 -7.997 1.00 0.00 C ATOM 555 CD1 LEU A 32 -15.517 5.133 -9.452 1.00 0.00 C ATOM 556 CD2 LEU A 32 -15.895 6.585 -7.405 1.00 0.00 C ATOM 0 H LEU A 32 -15.313 2.344 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.086 4.465 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.605 4.516 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.536 3.409 -7.472 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.061 5.651 -8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.472 6.062 -10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.831 4.407 -9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.532 4.738 -9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.883 7.417 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.926 6.285 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.430 6.894 -6.469 1.00 0.00 H new ATOM 568 N ALA A 33 -16.789 2.139 -8.485 1.00 0.00 N ATOM 569 CA ALA A 33 -17.427 1.481 -9.605 1.00 0.00 C ATOM 570 C ALA A 33 -18.807 0.931 -9.232 1.00 0.00 C ATOM 571 O ALA A 33 -19.627 0.727 -10.127 1.00 0.00 O ATOM 572 CB ALA A 33 -16.510 0.368 -10.118 1.00 0.00 C ATOM 0 H ALA A 33 -15.919 1.690 -8.199 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.588 2.213 -10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.983 -0.133 -10.962 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.560 0.797 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.333 -0.354 -9.321 1.00 0.00 H new ATOM 578 N MET A 34 -19.099 0.664 -7.952 1.00 0.00 N ATOM 579 CA MET A 34 -20.439 0.357 -7.496 1.00 0.00 C ATOM 580 C MET A 34 -21.286 1.620 -7.276 1.00 0.00 C ATOM 581 O MET A 34 -22.510 1.521 -7.209 1.00 0.00 O ATOM 582 CB MET A 34 -20.375 -0.452 -6.195 1.00 0.00 C ATOM 583 CG MET A 34 -20.099 -1.943 -6.388 1.00 0.00 C ATOM 584 SD MET A 34 -21.232 -3.022 -5.484 1.00 0.00 S ATOM 585 CE MET A 34 -22.675 -2.896 -6.576 1.00 0.00 C ATOM 0 H MET A 34 -18.400 0.658 -7.209 1.00 0.00 H new ATOM 0 HA MET A 34 -20.920 -0.229 -8.279 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.597 -0.031 -5.558 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.319 -0.336 -5.663 1.00 0.00 H new ATOM 0 HG2 MET A 34 -20.159 -2.179 -7.451 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.078 -2.157 -6.071 1.00 0.00 H new ATOM 0 HE1 MET A 34 -23.487 -3.503 -6.177 1.00 0.00 H new ATOM 0 HE2 MET A 34 -22.995 -1.856 -6.637 1.00 0.00 H new ATOM 0 HE3 MET A 34 -22.410 -3.253 -7.571 1.00 0.00 H new ATOM 595 N GLY A 35 -20.658 2.789 -7.148 1.00 0.00 N ATOM 596 CA GLY A 35 -21.282 4.072 -6.897 1.00 0.00 C ATOM 597 C GLY A 35 -21.371 4.356 -5.404 1.00 0.00 C ATOM 598 O GLY A 35 -22.437 4.763 -4.940 1.00 0.00 O ATOM 0 H GLY A 35 -19.643 2.861 -7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.710 4.860 -7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.281 4.085 -7.333 1.00 0.00 H new ATOM 602 N GLN A 36 -20.314 4.075 -4.619 1.00 0.00 N ATOM 603 CA GLN A 36 -20.404 4.132 -3.155 1.00 0.00 C ATOM 604 C GLN A 36 -19.276 4.961 -2.541 1.00 0.00 C ATOM 605 O GLN A 36 -19.453 5.579 -1.493 1.00 0.00 O ATOM 606 CB GLN A 36 -20.454 2.718 -2.555 1.00 0.00 C ATOM 607 CG GLN A 36 -21.269 1.751 -3.420 1.00 0.00 C ATOM 608 CD GLN A 36 -21.419 0.367 -2.808 1.00 0.00 C ATOM 609 OE1 GLN A 36 -20.450 -0.218 -2.324 1.00 0.00 O ATOM 610 NE2 GLN A 36 -22.614 -0.190 -2.832 1.00 0.00 N ATOM 0 H GLN A 36 -19.396 3.808 -4.974 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.336 4.639 -2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.439 2.336 -2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.888 2.764 -1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -22.259 2.174 -3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.791 1.658 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -23.403 0.313 -3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -22.749 -1.124 -2.445 1.00 0.00 H new ATOM 619 N LEU A 37 -18.119 4.991 -3.198 1.00 0.00 N ATOM 620 CA LEU A 37 -16.949 5.766 -2.801 1.00 0.00 C ATOM 621 C LEU A 37 -17.301 7.252 -2.684 1.00 0.00 C ATOM 622 O LEU A 37 -17.709 7.850 -3.680 1.00 0.00 O ATOM 623 CB LEU A 37 -15.879 5.504 -3.846 1.00 0.00 C ATOM 624 CG LEU A 37 -14.422 5.812 -3.498 1.00 0.00 C ATOM 625 CD1 LEU A 37 -14.144 7.174 -2.867 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.854 4.687 -2.641 1.00 0.00 C ATOM 0 H LEU A 37 -17.966 4.456 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.585 5.470 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.937 4.451 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.136 6.081 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.911 5.873 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.077 7.272 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.459 7.963 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.697 7.262 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.816 4.907 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.435 4.600 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.904 3.748 -3.193 1.00 0.00 H new ATOM 638 N LYS A 38 -17.154 7.861 -1.499 1.00 0.00 N ATOM 639 CA LYS A 38 -17.537 9.261 -1.283 1.00 0.00 C ATOM 640 C LYS A 38 -16.854 10.203 -2.278 1.00 0.00 C ATOM 641 O LYS A 38 -17.550 10.921 -2.990 1.00 0.00 O ATOM 642 CB LYS A 38 -17.295 9.703 0.171 1.00 0.00 C ATOM 643 CG LYS A 38 -17.933 11.087 0.417 1.00 0.00 C ATOM 644 CD LYS A 38 -17.541 11.719 1.754 1.00 0.00 C ATOM 645 CE LYS A 38 -18.173 11.017 2.960 1.00 0.00 C ATOM 646 NZ LYS A 38 -17.839 11.723 4.212 1.00 0.00 N ATOM 0 H LYS A 38 -16.771 7.402 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.610 9.325 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.720 8.971 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.225 9.746 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.643 11.759 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.018 10.989 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.456 11.696 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.839 12.767 1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.255 10.977 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.820 9.987 3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.277 11.230 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.807 11.739 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.197 12.698 4.167 1.00 0.00 H new ATOM 660 N ASN A 39 -15.517 10.249 -2.306 1.00 0.00 N ATOM 661 CA ASN A 39 -14.794 11.194 -3.154 1.00 0.00 C ATOM 662 C ASN A 39 -13.495 10.589 -3.682 1.00 0.00 C ATOM 663 O ASN A 39 -12.648 10.182 -2.885 1.00 0.00 O ATOM 664 CB ASN A 39 -14.499 12.468 -2.355 1.00 0.00 C ATOM 665 CG ASN A 39 -14.049 13.536 -3.326 1.00 0.00 C ATOM 666 OD1 ASN A 39 -14.855 14.032 -4.103 1.00 0.00 O ATOM 667 ND2 ASN A 39 -12.793 13.936 -3.314 1.00 0.00 N ATOM 0 H ASN A 39 -14.917 9.641 -1.749 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.418 11.435 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -15.388 12.794 -1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.726 12.280 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.484 14.666 -3.956 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.130 13.516 -2.662 1.00 0.00 H new ATOM 674 N THR A 40 -13.291 10.521 -5.001 1.00 0.00 N ATOM 675 CA THR A 40 -12.141 9.821 -5.580 1.00 0.00 C ATOM 676 C THR A 40 -10.779 10.436 -5.231 1.00 0.00 C ATOM 677 O THR A 40 -9.762 9.770 -5.450 1.00 0.00 O ATOM 678 CB THR A 40 -12.269 9.658 -7.104 1.00 0.00 C ATOM 679 OG1 THR A 40 -12.463 10.896 -7.747 1.00 0.00 O ATOM 680 CG2 THR A 40 -13.409 8.730 -7.500 1.00 0.00 C ATOM 0 H THR A 40 -13.911 10.945 -5.691 1.00 0.00 H new ATOM 0 HA THR A 40 -12.166 8.837 -5.111 1.00 0.00 H new ATOM 0 HB THR A 40 -11.326 9.217 -7.426 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.538 10.754 -8.714 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.453 8.651 -8.586 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.240 7.742 -7.071 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.351 9.131 -7.126 1.00 0.00 H new ATOM 688 N SER A 41 -10.696 11.654 -4.682 1.00 0.00 N ATOM 689 CA SER A 41 -9.417 12.163 -4.187 1.00 0.00 C ATOM 690 C SER A 41 -8.926 11.368 -2.964 1.00 0.00 C ATOM 691 O SER A 41 -7.715 11.294 -2.761 1.00 0.00 O ATOM 692 CB SER A 41 -9.475 13.673 -3.938 1.00 0.00 C ATOM 693 OG SER A 41 -9.934 14.318 -5.119 1.00 0.00 O ATOM 0 H SER A 41 -11.484 12.292 -4.572 1.00 0.00 H new ATOM 0 HA SER A 41 -8.670 12.010 -4.966 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.143 13.892 -3.105 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.489 14.048 -3.663 1.00 0.00 H new ATOM 0 HG SER A 41 -9.976 15.285 -4.968 1.00 0.00 H new ATOM 699 N LEU A 42 -9.815 10.683 -2.221 1.00 0.00 N ATOM 700 CA LEU A 42 -9.409 9.599 -1.326 1.00 0.00 C ATOM 701 C LEU A 42 -8.770 8.501 -2.160 1.00 0.00 C ATOM 702 O LEU A 42 -7.612 8.235 -1.914 1.00 0.00 O ATOM 703 CB LEU A 42 -10.568 9.070 -0.468 1.00 0.00 C ATOM 704 CG LEU A 42 -10.225 7.782 0.318 1.00 0.00 C ATOM 705 CD1 LEU A 42 -8.961 7.860 1.188 1.00 0.00 C ATOM 706 CD2 LEU A 42 -11.408 7.451 1.228 1.00 0.00 C ATOM 0 H LEU A 42 -10.818 10.866 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.683 9.986 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.870 9.845 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.425 8.874 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.027 7.017 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.810 6.908 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.098 8.076 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.077 8.652 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.190 6.545 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.579 8.277 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.300 7.294 0.622 1.00 0.00 H new ATOM 718 N ILE A 43 -9.424 7.909 -3.171 1.00 0.00 N ATOM 719 CA ILE A 43 -8.798 6.826 -3.949 1.00 0.00 C ATOM 720 C ILE A 43 -7.403 7.238 -4.428 1.00 0.00 C ATOM 721 O ILE A 43 -6.484 6.435 -4.330 1.00 0.00 O ATOM 722 CB ILE A 43 -9.692 6.310 -5.113 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.304 4.924 -4.803 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.956 6.260 -6.472 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.318 3.748 -4.902 1.00 0.00 C ATOM 0 H ILE A 43 -10.369 8.155 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.686 5.976 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.495 7.042 -5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.724 4.944 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -11.131 4.745 -5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.636 5.892 -7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.615 7.261 -6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.098 5.593 -6.397 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.836 2.818 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.916 3.695 -5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.502 3.897 -4.194 1.00 0.00 H new ATOM 737 N LYS A 44 -7.213 8.466 -4.925 1.00 0.00 N ATOM 738 CA LYS A 44 -5.915 8.969 -5.341 1.00 0.00 C ATOM 739 C LYS A 44 -4.927 8.872 -4.191 1.00 0.00 C ATOM 740 O LYS A 44 -3.807 8.401 -4.359 1.00 0.00 O ATOM 741 CB LYS A 44 -6.087 10.411 -5.848 1.00 0.00 C ATOM 742 CG LYS A 44 -4.751 11.134 -6.069 1.00 0.00 C ATOM 743 CD LYS A 44 -4.198 11.849 -4.821 1.00 0.00 C ATOM 744 CE LYS A 44 -2.841 11.304 -4.357 1.00 0.00 C ATOM 745 NZ LYS A 44 -1.724 11.910 -5.115 1.00 0.00 N ATOM 0 H LYS A 44 -7.969 9.139 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.510 8.367 -6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.645 10.397 -6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.684 10.974 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.013 10.410 -6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.876 11.866 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.100 12.913 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.917 11.752 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.712 11.505 -3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.821 10.221 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.822 11.519 -4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.835 11.697 -6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.729 12.941 -4.976 1.00 0.00 H new ATOM 759 N LEU A 45 -5.285 9.369 -3.019 1.00 0.00 N ATOM 760 CA LEU A 45 -4.492 9.414 -1.848 1.00 0.00 C ATOM 761 C LEU A 45 -4.200 7.983 -1.413 1.00 0.00 C ATOM 762 O LEU A 45 -3.063 7.667 -1.079 1.00 0.00 O ATOM 763 CB LEU A 45 -5.313 10.259 -0.881 1.00 0.00 C ATOM 764 CG LEU A 45 -4.698 10.313 0.492 1.00 0.00 C ATOM 765 CD1 LEU A 45 -3.215 10.605 0.409 1.00 0.00 C ATOM 766 CD2 LEU A 45 -5.407 11.409 1.269 1.00 0.00 C ATOM 0 H LEU A 45 -6.209 9.776 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.506 9.867 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.407 11.271 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.321 9.850 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.812 9.351 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.794 10.639 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.721 9.821 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.060 11.566 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.985 11.476 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.276 12.362 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.470 11.177 1.338 1.00 0.00 H new ATOM 778 N THR A 46 -5.164 7.078 -1.545 1.00 0.00 N ATOM 779 CA THR A 46 -4.956 5.693 -1.211 1.00 0.00 C ATOM 780 C THR A 46 -3.922 5.149 -2.184 1.00 0.00 C ATOM 781 O THR A 46 -2.880 4.674 -1.767 1.00 0.00 O ATOM 782 CB THR A 46 -6.313 4.971 -1.236 1.00 0.00 C ATOM 783 OG1 THR A 46 -7.299 5.746 -0.598 1.00 0.00 O ATOM 784 CG2 THR A 46 -6.257 3.647 -0.497 1.00 0.00 C ATOM 0 H THR A 46 -6.102 7.292 -1.885 1.00 0.00 H new ATOM 0 HA THR A 46 -4.563 5.541 -0.206 1.00 0.00 H new ATOM 0 HB THR A 46 -6.553 4.809 -2.287 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.508 6.529 -1.150 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.235 3.167 -0.537 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.515 3.000 -0.965 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.981 3.822 0.543 1.00 0.00 H new ATOM 792 N LYS A 47 -4.127 5.321 -3.485 1.00 0.00 N ATOM 793 CA LYS A 47 -3.242 4.925 -4.567 1.00 0.00 C ATOM 794 C LYS A 47 -1.810 5.410 -4.374 1.00 0.00 C ATOM 795 O LYS A 47 -0.905 4.612 -4.611 1.00 0.00 O ATOM 796 CB LYS A 47 -3.863 5.484 -5.863 1.00 0.00 C ATOM 797 CG LYS A 47 -3.115 5.153 -7.147 1.00 0.00 C ATOM 798 CD LYS A 47 -3.446 3.706 -7.521 1.00 0.00 C ATOM 799 CE LYS A 47 -2.674 3.197 -8.744 1.00 0.00 C ATOM 800 NZ LYS A 47 -3.169 3.783 -10.007 1.00 0.00 N ATOM 0 H LYS A 47 -4.974 5.771 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.160 3.839 -4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.882 5.106 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.932 6.568 -5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.411 5.832 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.041 5.275 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.229 3.061 -6.670 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.515 3.626 -7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.616 3.434 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.754 2.111 -8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.616 3.408 -10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.171 3.536 -10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.069 4.818 -9.972 1.00 0.00 H new ATOM 814 N ARG A 48 -1.582 6.665 -3.966 1.00 0.00 N ATOM 815 CA ARG A 48 -0.224 7.186 -3.778 1.00 0.00 C ATOM 816 C ARG A 48 0.479 6.308 -2.757 1.00 0.00 C ATOM 817 O ARG A 48 1.571 5.797 -3.014 1.00 0.00 O ATOM 818 CB ARG A 48 -0.228 8.690 -3.410 1.00 0.00 C ATOM 819 CG ARG A 48 -0.151 9.101 -1.921 1.00 0.00 C ATOM 820 CD ARG A 48 -0.464 10.576 -1.629 1.00 0.00 C ATOM 821 NE ARG A 48 0.625 11.490 -2.022 1.00 0.00 N ATOM 822 CZ ARG A 48 1.091 12.534 -1.316 1.00 0.00 C ATOM 823 NH1 ARG A 48 0.462 12.979 -0.233 1.00 0.00 N ATOM 824 NH2 ARG A 48 2.228 13.124 -1.661 1.00 0.00 N ATOM 0 H ARG A 48 -2.321 7.337 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 48 0.333 7.140 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.613 9.156 -3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.136 9.127 -3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.845 8.481 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.850 8.879 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.375 10.859 -2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.663 10.695 -0.564 1.00 0.00 H new ATOM 0 HE ARG A 48 1.070 11.311 -2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.396 12.526 0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.838 13.774 0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.754 12.786 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.576 13.916 -1.121 1.00 0.00 H new ATOM 838 N ASP A 49 -0.188 6.071 -1.631 1.00 0.00 N ATOM 839 CA ASP A 49 0.333 5.267 -0.553 1.00 0.00 C ATOM 840 C ASP A 49 0.430 3.840 -1.018 1.00 0.00 C ATOM 841 O ASP A 49 1.461 3.228 -0.799 1.00 0.00 O ATOM 842 CB ASP A 49 -0.571 5.387 0.679 1.00 0.00 C ATOM 843 CG ASP A 49 -0.127 6.478 1.648 1.00 0.00 C ATOM 844 OD1 ASP A 49 0.981 7.044 1.497 1.00 0.00 O ATOM 845 OD2 ASP A 49 -0.909 6.752 2.582 1.00 0.00 O ATOM 0 H ASP A 49 -1.120 6.443 -1.448 1.00 0.00 H new ATOM 0 HA ASP A 49 1.326 5.617 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.591 5.592 0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.589 4.431 1.202 1.00 0.00 H new ATOM 850 N ILE A 50 -0.559 3.300 -1.725 1.00 0.00 N ATOM 851 CA ILE A 50 -0.509 1.910 -2.151 1.00 0.00 C ATOM 852 C ILE A 50 0.734 1.714 -2.960 1.00 0.00 C ATOM 853 O ILE A 50 1.514 0.840 -2.638 1.00 0.00 O ATOM 854 CB ILE A 50 -1.756 1.430 -2.931 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.686 0.778 -1.916 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.509 0.367 -4.028 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.466 1.808 -1.118 1.00 0.00 C ATOM 0 H ILE A 50 -1.399 3.803 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.498 1.295 -1.251 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.146 2.313 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.381 0.117 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.103 0.157 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.455 0.109 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.824 0.767 -4.775 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.074 -0.526 -3.578 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.117 1.300 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.772 2.453 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.070 2.412 -1.795 1.00 0.00 H new ATOM 869 N ALA A 51 0.945 2.527 -3.980 1.00 0.00 N ATOM 870 CA ALA A 51 2.052 2.319 -4.869 1.00 0.00 C ATOM 871 C ALA A 51 3.397 2.577 -4.174 1.00 0.00 C ATOM 872 O ALA A 51 4.421 2.161 -4.706 1.00 0.00 O ATOM 873 CB ALA A 51 1.807 3.197 -6.088 1.00 0.00 C ATOM 0 H ALA A 51 0.361 3.332 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 51 2.118 1.278 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.626 3.073 -6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.870 2.907 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.750 4.241 -5.779 1.00 0.00 H new ATOM 879 N ARG A 52 3.409 3.212 -2.993 1.00 0.00 N ATOM 880 CA ARG A 52 4.572 3.400 -2.129 1.00 0.00 C ATOM 881 C ARG A 52 4.757 2.153 -1.259 1.00 0.00 C ATOM 882 O ARG A 52 5.762 1.456 -1.362 1.00 0.00 O ATOM 883 CB ARG A 52 4.377 4.717 -1.340 1.00 0.00 C ATOM 884 CG ARG A 52 5.621 5.286 -0.649 1.00 0.00 C ATOM 885 CD ARG A 52 5.897 4.669 0.723 1.00 0.00 C ATOM 886 NE ARG A 52 6.992 5.383 1.405 1.00 0.00 N ATOM 887 CZ ARG A 52 6.884 6.308 2.372 1.00 0.00 C ATOM 888 NH1 ARG A 52 5.703 6.703 2.832 1.00 0.00 N ATOM 889 NH2 ARG A 52 7.976 6.819 2.924 1.00 0.00 N ATOM 0 H ARG A 52 2.564 3.627 -2.600 1.00 0.00 H new ATOM 0 HA ARG A 52 5.499 3.506 -2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.991 5.472 -2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.611 4.552 -0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.488 5.126 -1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.502 6.364 -0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.995 4.709 1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.158 3.617 0.608 1.00 0.00 H new ATOM 0 HE ARG A 52 7.939 5.147 1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.847 6.302 2.450 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.652 7.408 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.897 6.509 2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.895 7.522 3.659 1.00 0.00 H new ATOM 903 N ILE A 53 3.771 1.839 -0.426 1.00 0.00 N ATOM 904 CA ILE A 53 3.701 0.683 0.451 1.00 0.00 C ATOM 905 C ILE A 53 3.875 -0.620 -0.318 1.00 0.00 C ATOM 906 O ILE A 53 4.791 -1.380 -0.027 1.00 0.00 O ATOM 907 CB ILE A 53 2.402 0.810 1.281 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.577 1.841 2.424 1.00 0.00 C ATOM 909 CG2 ILE A 53 1.983 -0.513 1.897 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.941 3.197 2.148 1.00 0.00 C ATOM 0 H ILE A 53 2.943 2.429 -0.342 1.00 0.00 H new ATOM 0 HA ILE A 53 4.534 0.656 1.154 1.00 0.00 H new ATOM 0 HB ILE A 53 1.628 1.139 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.147 1.430 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.642 1.983 2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.066 -0.373 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.809 -1.243 1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.772 -0.873 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.110 3.858 2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.388 3.633 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.869 3.072 1.994 1.00 0.00 H new ATOM 922 N LYS A 54 3.067 -0.902 -1.329 1.00 0.00 N ATOM 923 CA LYS A 54 3.196 -2.148 -2.070 1.00 0.00 C ATOM 924 C LYS A 54 4.590 -2.269 -2.694 1.00 0.00 C ATOM 925 O LYS A 54 5.123 -3.374 -2.819 1.00 0.00 O ATOM 926 CB LYS A 54 2.013 -2.317 -3.052 1.00 0.00 C ATOM 927 CG LYS A 54 2.187 -1.511 -4.358 1.00 0.00 C ATOM 928 CD LYS A 54 3.015 -2.215 -5.445 1.00 0.00 C ATOM 929 CE LYS A 54 3.048 -1.325 -6.693 1.00 0.00 C ATOM 930 NZ LYS A 54 4.251 -1.490 -7.539 1.00 0.00 N ATOM 0 H LYS A 54 2.319 -0.289 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 54 3.124 -2.998 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.900 -3.373 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.093 -2.004 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.201 -1.284 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.661 -0.559 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.028 -2.401 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.578 -3.185 -5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.165 -1.536 -7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.980 -0.283 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.071 -1.086 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.055 -0.998 -7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.473 -2.502 -7.633 1.00 0.00 H new ATOM 944 N THR A 55 5.203 -1.141 -3.062 1.00 0.00 N ATOM 945 CA THR A 55 6.569 -1.119 -3.537 1.00 0.00 C ATOM 946 C THR A 55 7.537 -1.465 -2.406 1.00 0.00 C ATOM 947 O THR A 55 8.450 -2.221 -2.687 1.00 0.00 O ATOM 948 CB THR A 55 6.859 0.224 -4.208 1.00 0.00 C ATOM 949 OG1 THR A 55 6.135 0.279 -5.425 1.00 0.00 O ATOM 950 CG2 THR A 55 8.346 0.475 -4.478 1.00 0.00 C ATOM 0 H THR A 55 4.758 -0.224 -3.035 1.00 0.00 H new ATOM 0 HA THR A 55 6.715 -1.887 -4.296 1.00 0.00 H new ATOM 0 HB THR A 55 6.546 1.007 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.292 0.758 -5.283 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.470 1.447 -4.955 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.894 0.460 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.733 -0.304 -5.135 1.00 0.00 H new ATOM 958 N ILE A 56 7.370 -1.002 -1.159 1.00 0.00 N ATOM 959 CA ILE A 56 8.226 -1.421 -0.036 1.00 0.00 C ATOM 960 C ILE A 56 8.308 -2.943 0.004 1.00 0.00 C ATOM 961 O ILE A 56 9.413 -3.475 0.067 1.00 0.00 O ATOM 962 CB ILE A 56 7.759 -0.832 1.315 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.036 0.682 1.362 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.302 -1.563 2.565 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.353 1.102 2.022 1.00 0.00 C ATOM 0 H ILE A 56 6.645 -0.333 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 56 9.226 -1.020 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 56 6.683 -0.999 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.025 1.065 0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.216 1.165 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.921 -1.079 3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.977 -2.603 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.391 -1.523 2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.442 2.188 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.367 0.759 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.189 0.658 1.481 1.00 0.00 H new ATOM 977 N LEU A 57 7.165 -3.629 -0.063 1.00 0.00 N ATOM 978 CA LEU A 57 7.112 -5.089 -0.111 1.00 0.00 C ATOM 979 C LEU A 57 7.965 -5.590 -1.277 1.00 0.00 C ATOM 980 O LEU A 57 8.902 -6.351 -1.081 1.00 0.00 O ATOM 981 CB LEU A 57 5.641 -5.545 -0.147 1.00 0.00 C ATOM 982 CG LEU A 57 5.417 -7.020 -0.524 1.00 0.00 C ATOM 983 CD1 LEU A 57 6.319 -7.961 0.261 1.00 0.00 C ATOM 984 CD2 LEU A 57 3.956 -7.397 -0.271 1.00 0.00 C ATOM 0 H LEU A 57 6.247 -3.184 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 57 7.542 -5.536 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.199 -5.367 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.102 -4.920 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 57 5.664 -7.127 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.123 -8.990 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.362 -7.717 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.119 -7.852 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.798 -8.442 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.720 -7.253 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.307 -6.765 -0.878 1.00 0.00 H new ATOM 996 N ARG A 58 7.703 -5.092 -2.478 1.00 0.00 N ATOM 997 CA ARG A 58 8.470 -5.394 -3.693 1.00 0.00 C ATOM 998 C ARG A 58 9.975 -5.266 -3.449 1.00 0.00 C ATOM 999 O ARG A 58 10.750 -6.129 -3.836 1.00 0.00 O ATOM 1000 CB ARG A 58 8.042 -4.476 -4.848 1.00 0.00 C ATOM 1001 CG ARG A 58 7.998 -5.162 -6.227 1.00 0.00 C ATOM 1002 CD ARG A 58 9.259 -5.994 -6.515 1.00 0.00 C ATOM 1003 NE ARG A 58 9.416 -6.339 -7.936 1.00 0.00 N ATOM 1004 CZ ARG A 58 8.795 -7.343 -8.561 1.00 0.00 C ATOM 1005 NH1 ARG A 58 7.901 -8.086 -7.925 1.00 0.00 N ATOM 1006 NH2 ARG A 58 9.076 -7.599 -9.832 1.00 0.00 N ATOM 0 H ARG A 58 6.930 -4.448 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 58 8.257 -6.427 -3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.055 -4.071 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.729 -3.632 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.121 -5.808 -6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.882 -4.404 -7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.136 -5.438 -6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.223 -6.911 -5.927 1.00 0.00 H new ATOM 0 HE ARG A 58 10.051 -5.764 -8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.681 -7.894 -6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.433 -8.850 -8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.763 -7.030 -10.327 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.605 -8.364 -10.314 1.00 0.00 H new ATOM 1020 N GLU A 59 10.402 -4.178 -2.824 1.00 0.00 N ATOM 1021 CA GLU A 59 11.805 -3.871 -2.540 1.00 0.00 C ATOM 1022 C GLU A 59 12.426 -4.834 -1.522 1.00 0.00 C ATOM 1023 O GLU A 59 13.640 -4.814 -1.337 1.00 0.00 O ATOM 1024 CB GLU A 59 11.937 -2.440 -1.995 1.00 0.00 C ATOM 1025 CG GLU A 59 11.274 -1.369 -2.862 1.00 0.00 C ATOM 1026 CD GLU A 59 12.221 -0.274 -3.327 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.618 0.556 -2.478 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.516 -0.204 -4.544 1.00 0.00 O ATOM 0 H GLU A 59 9.763 -3.458 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 59 12.340 -3.978 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.501 -2.403 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.995 -2.201 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.831 -1.847 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.458 -0.915 -2.299 1.00 0.00 H new ATOM 1035 N ARG A 60 11.604 -5.623 -0.828 1.00 0.00 N ATOM 1036 CA ARG A 60 12.036 -6.726 0.030 1.00 0.00 C ATOM 1037 C ARG A 60 11.985 -8.073 -0.693 1.00 0.00 C ATOM 1038 O ARG A 60 12.654 -9.005 -0.245 1.00 0.00 O ATOM 1039 CB ARG A 60 11.184 -6.789 1.314 1.00 0.00 C ATOM 1040 CG ARG A 60 11.225 -5.516 2.165 1.00 0.00 C ATOM 1041 CD ARG A 60 10.914 -5.809 3.637 1.00 0.00 C ATOM 1042 NE ARG A 60 12.138 -6.165 4.359 1.00 0.00 N ATOM 1043 CZ ARG A 60 12.289 -6.925 5.445 1.00 0.00 C ATOM 1044 NH1 ARG A 60 11.289 -7.635 5.947 1.00 0.00 N ATOM 1045 NH2 ARG A 60 13.484 -6.955 6.012 1.00 0.00 N ATOM 0 H ARG A 60 10.591 -5.508 -0.848 1.00 0.00 H new ATOM 0 HA ARG A 60 13.074 -6.529 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.149 -6.994 1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.525 -7.628 1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.210 -5.056 2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.505 -4.795 1.777 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.454 -4.935 4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.193 -6.624 3.707 1.00 0.00 H new ATOM 0 HE ARG A 60 12.999 -5.775 3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.372 -7.610 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.437 -8.207 6.779 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.250 -6.409 5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.640 -7.524 6.844 1.00 0.00 H new ATOM 1059 N GLU A 61 11.219 -8.188 -1.784 1.00 0.00 N ATOM 1060 CA GLU A 61 11.130 -9.400 -2.582 1.00 0.00 C ATOM 1061 C GLU A 61 12.513 -9.647 -3.181 1.00 0.00 C ATOM 1062 O GLU A 61 13.175 -10.614 -2.800 1.00 0.00 O ATOM 1063 CB GLU A 61 10.056 -9.317 -3.686 1.00 0.00 C ATOM 1064 CG GLU A 61 8.604 -9.164 -3.223 1.00 0.00 C ATOM 1065 CD GLU A 61 7.619 -9.357 -4.384 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.392 -8.417 -5.181 1.00 0.00 O ATOM 1067 OE2 GLU A 61 7.068 -10.480 -4.520 1.00 0.00 O ATOM 0 H GLU A 61 10.638 -7.427 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 61 10.821 -10.228 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.298 -8.474 -4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.125 -10.217 -4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.392 -9.892 -2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.463 -8.176 -2.786 1.00 0.00 H new ATOM 1074 N LEU A 62 12.979 -8.782 -4.091 1.00 0.00 N ATOM 1075 CA LEU A 62 14.345 -8.807 -4.567 1.00 0.00 C ATOM 1076 C LEU A 62 15.203 -8.095 -3.516 1.00 0.00 C ATOM 1077 O LEU A 62 14.681 -7.388 -2.655 1.00 0.00 O ATOM 1078 CB LEU A 62 14.514 -8.149 -5.951 1.00 0.00 C ATOM 1079 CG LEU A 62 13.291 -7.797 -6.822 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.123 -8.786 -6.839 1.00 0.00 C ATOM 1081 CD2 LEU A 62 12.824 -6.372 -6.546 1.00 0.00 C ATOM 0 H LEU A 62 12.409 -8.048 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 62 14.658 -9.843 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.073 -7.226 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.147 -8.810 -6.543 1.00 0.00 H new ATOM 0 HG LEU A 62 13.674 -7.880 -7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.336 -8.409 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.469 -9.751 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.731 -8.903 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.960 -6.145 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.547 -6.277 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.630 -5.674 -6.773 1.00 0.00 H new ATOM 1093 N GLY A 63 16.523 -8.183 -3.629 1.00 0.00 N ATOM 1094 CA GLY A 63 17.465 -7.675 -2.642 1.00 0.00 C ATOM 1095 C GLY A 63 17.620 -6.157 -2.652 1.00 0.00 C ATOM 1096 O GLY A 63 18.669 -5.665 -2.242 1.00 0.00 O ATOM 0 H GLY A 63 16.978 -8.621 -4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.140 -7.990 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.440 -8.130 -2.818 1.00 0.00 H new ATOM 1100 N ILE A 64 16.642 -5.392 -3.137 1.00 0.00 N ATOM 1101 CA ILE A 64 16.691 -3.947 -3.259 1.00 0.00 C ATOM 1102 C ILE A 64 16.814 -3.294 -1.878 1.00 0.00 C ATOM 1103 O ILE A 64 17.320 -2.177 -1.748 1.00 0.00 O ATOM 1104 CB ILE A 64 15.434 -3.513 -4.040 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.423 -4.059 -5.483 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.244 -2.001 -4.052 1.00 0.00 C ATOM 1107 CD1 ILE A 64 16.308 -3.297 -6.469 1.00 0.00 C ATOM 0 H ILE A 64 15.761 -5.785 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 64 17.573 -3.616 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 64 14.593 -3.952 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.741 -5.101 -5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.398 -4.045 -5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.345 -1.752 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.143 -1.639 -3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.108 -1.529 -4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.233 -3.756 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 64 15.980 -2.259 -6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.344 -3.332 -6.130 1.00 0.00 H new ATOM 1119 N ARG A 65 16.374 -3.982 -0.829 1.00 0.00 N ATOM 1120 CA ARG A 65 16.511 -3.569 0.568 1.00 0.00 C ATOM 1121 C ARG A 65 16.988 -4.709 1.468 1.00 0.00 C ATOM 1122 O ARG A 65 16.963 -4.548 2.691 1.00 0.00 O ATOM 1123 CB ARG A 65 15.165 -3.005 1.059 1.00 0.00 C ATOM 1124 CG ARG A 65 14.671 -1.723 0.365 1.00 0.00 C ATOM 1125 CD ARG A 65 15.093 -0.441 1.085 1.00 0.00 C ATOM 1126 NE ARG A 65 16.484 -0.050 0.822 1.00 0.00 N ATOM 1127 CZ ARG A 65 17.155 0.888 1.502 1.00 0.00 C ATOM 1128 NH1 ARG A 65 16.618 1.493 2.556 1.00 0.00 N ATOM 1129 NH2 ARG A 65 18.372 1.238 1.114 1.00 0.00 N ATOM 0 H ARG A 65 15.894 -4.876 -0.930 1.00 0.00 H new ATOM 0 HA ARG A 65 17.277 -2.796 0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.405 -3.776 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.246 -2.806 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.054 -1.701 -0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.583 -1.752 0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.432 0.371 0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.959 -0.576 2.158 1.00 0.00 H new ATOM 0 HE ARG A 65 16.975 -0.528 0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 65 15.677 1.245 2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 65 17.147 2.205 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.795 0.793 0.299 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.886 1.952 1.630 1.00 0.00 H new ATOM 1143 N ARG A 66 17.492 -5.792 0.876 1.00 0.00 N ATOM 1144 CA ARG A 66 17.806 -7.071 1.494 1.00 0.00 C ATOM 1145 C ARG A 66 16.659 -7.648 2.317 1.00 0.00 C ATOM 1146 O ARG A 66 16.911 -8.639 3.038 1.00 0.00 O ATOM 1147 CB ARG A 66 19.094 -6.918 2.304 1.00 0.00 C ATOM 1148 CG ARG A 66 20.349 -6.773 1.451 1.00 0.00 C ATOM 1149 CD ARG A 66 21.499 -6.357 2.366 1.00 0.00 C ATOM 1150 NE ARG A 66 22.778 -6.342 1.652 1.00 0.00 N ATOM 1151 CZ ARG A 66 23.536 -5.287 1.361 1.00 0.00 C ATOM 1152 NH1 ARG A 66 23.105 -4.054 1.594 1.00 0.00 N ATOM 1153 NH2 ARG A 66 24.728 -5.501 0.824 1.00 0.00 N ATOM 0 H ARG A 66 17.705 -5.793 -0.121 1.00 0.00 H new ATOM 0 HA ARG A 66 17.960 -7.807 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.003 -6.045 2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 66 19.207 -7.785 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 66 20.581 -7.714 0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 66 20.195 -6.028 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 66 21.299 -5.367 2.776 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.561 -7.045 3.210 1.00 0.00 H new ATOM 0 HE ARG A 66 23.130 -7.248 1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 66 22.182 -3.905 2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 66 23.697 -3.255 1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 66 25.043 -6.454 0.644 1.00 0.00 H new ATOM 0 HH22 ARG A 66 25.331 -4.712 0.590 1.00 0.00 H new TER 1167 ARG A 66