USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 889 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 58 ASN : amide:sc= 0 K(o=0.98,f=-0.51) USER MOD Set 1.2: A 64 LYS NZ :NH3+ -139:sc= 0.982 (180deg=-0.128) USER MOD Set 2.1: A 1 MET CE :methyl -165:sc= -0.014 (180deg=-0.272) USER MOD Set 2.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0693 (180deg=-0.137) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0974 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 163:sc= -0.0686 (180deg=-0.481) USER MOD Single : A 29 LYS NZ :NH3+ -125:sc= -0.789 (180deg=-2.12!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 65 SER OG : rot -11:sc= 0.579 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0565 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= 2.5 (180deg=2.41) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.26 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.891 0.457 -1.847 1.00 0.00 N ATOM 2 CA MET A 1 6.249 0.459 -1.271 1.00 0.00 C ATOM 3 C MET A 1 7.288 0.137 -2.342 1.00 0.00 C ATOM 4 O MET A 1 6.938 -0.329 -3.424 1.00 0.00 O ATOM 5 CB MET A 1 6.353 -0.520 -0.095 1.00 0.00 C ATOM 6 CG MET A 1 6.120 -1.966 -0.537 1.00 0.00 C ATOM 7 SD MET A 1 6.203 -3.187 0.802 1.00 0.00 S ATOM 8 CE MET A 1 7.953 -3.044 1.246 1.00 0.00 C ATOM 0 H1 MET A 1 4.237 -0.018 -1.193 1.00 0.00 H new ATOM 0 H2 MET A 1 4.577 1.437 -2.000 1.00 0.00 H new ATOM 0 H3 MET A 1 4.900 -0.049 -2.755 1.00 0.00 H new ATOM 0 HA MET A 1 6.451 1.459 -0.888 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.338 -0.434 0.363 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.622 -0.251 0.668 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.142 -2.034 -1.013 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.861 -2.225 -1.294 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.244 -3.897 1.860 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.558 -3.026 0.340 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.112 -2.123 1.806 1.00 0.00 H new ATOM 20 N SER A 2 8.564 0.387 -2.031 1.00 0.00 N ATOM 21 CA SER A 2 9.688 0.128 -2.930 1.00 0.00 C ATOM 22 C SER A 2 9.524 0.788 -4.307 1.00 0.00 C ATOM 23 O SER A 2 10.146 0.356 -5.277 1.00 0.00 O ATOM 24 CB SER A 2 9.937 -1.379 -3.043 1.00 0.00 C ATOM 25 OG SER A 2 10.103 -1.943 -1.757 1.00 0.00 O ATOM 0 H SER A 2 8.847 0.781 -1.134 1.00 0.00 H new ATOM 0 HA SER A 2 10.570 0.594 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.100 -1.856 -3.552 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.825 -1.564 -3.647 1.00 0.00 H new ATOM 0 HG SER A 2 10.260 -2.907 -1.840 1.00 0.00 H new ATOM 31 N ALA A 3 8.693 1.829 -4.399 1.00 0.00 N ATOM 32 CA ALA A 3 8.435 2.538 -5.641 1.00 0.00 C ATOM 33 C ALA A 3 8.041 3.986 -5.352 1.00 0.00 C ATOM 34 O ALA A 3 7.733 4.336 -4.215 1.00 0.00 O ATOM 35 CB ALA A 3 7.315 1.821 -6.398 1.00 0.00 C ATOM 0 H ALA A 3 8.178 2.202 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 3 9.338 2.548 -6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.114 2.345 -7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.620 0.797 -6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.413 1.809 -5.787 1.00 0.00 H new ATOM 41 N LEU A 4 8.060 4.827 -6.390 1.00 0.00 N ATOM 42 CA LEU A 4 7.717 6.233 -6.273 1.00 0.00 C ATOM 43 C LEU A 4 6.952 6.686 -7.517 1.00 0.00 C ATOM 44 O LEU A 4 7.487 7.371 -8.386 1.00 0.00 O ATOM 45 CB LEU A 4 8.968 7.084 -5.996 1.00 0.00 C ATOM 46 CG LEU A 4 10.142 6.910 -6.973 1.00 0.00 C ATOM 47 CD1 LEU A 4 11.061 8.118 -6.828 1.00 0.00 C ATOM 48 CD2 LEU A 4 10.984 5.668 -6.675 1.00 0.00 C ATOM 0 H LEU A 4 8.316 4.543 -7.336 1.00 0.00 H new ATOM 0 HA LEU A 4 7.058 6.376 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.675 8.134 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.322 6.854 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 4 9.721 6.809 -7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.904 8.018 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.507 9.027 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.430 8.174 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 4 11.797 5.598 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.397 5.741 -5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.358 4.778 -6.746 1.00 0.00 H new ATOM 60 N THR A 5 5.677 6.298 -7.600 1.00 0.00 N ATOM 61 CA THR A 5 4.802 6.685 -8.696 1.00 0.00 C ATOM 62 C THR A 5 4.297 8.112 -8.530 1.00 0.00 C ATOM 63 O THR A 5 3.647 8.629 -9.436 1.00 0.00 O ATOM 64 CB THR A 5 3.604 5.731 -8.768 1.00 0.00 C ATOM 65 OG1 THR A 5 3.231 5.309 -7.472 1.00 0.00 O ATOM 66 CG2 THR A 5 3.958 4.519 -9.623 1.00 0.00 C ATOM 0 H THR A 5 5.226 5.705 -6.904 1.00 0.00 H new ATOM 0 HA THR A 5 5.381 6.630 -9.618 1.00 0.00 H new ATOM 0 HB THR A 5 2.764 6.259 -9.220 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.464 4.702 -7.534 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.103 3.845 -9.670 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.218 4.847 -10.630 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.807 3.997 -9.181 1.00 0.00 H new ATOM 74 N GLN A 6 4.582 8.751 -7.394 1.00 0.00 N ATOM 75 CA GLN A 6 4.064 10.079 -7.112 1.00 0.00 C ATOM 76 C GLN A 6 5.170 11.100 -6.936 1.00 0.00 C ATOM 77 O GLN A 6 5.916 11.060 -5.958 1.00 0.00 O ATOM 78 CB GLN A 6 3.146 9.993 -5.897 1.00 0.00 C ATOM 79 CG GLN A 6 2.047 8.988 -6.251 1.00 0.00 C ATOM 80 CD GLN A 6 0.881 8.966 -5.282 1.00 0.00 C ATOM 81 OE1 GLN A 6 0.832 9.696 -4.295 1.00 0.00 O ATOM 82 NE2 GLN A 6 -0.083 8.100 -5.583 1.00 0.00 N ATOM 0 H GLN A 6 5.171 8.364 -6.656 1.00 0.00 H new ATOM 0 HA GLN A 6 3.488 10.432 -7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.699 9.668 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.719 10.968 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.670 9.216 -7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.485 7.991 -6.296 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.000 7.513 -6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.905 8.023 -4.984 1.00 0.00 H new ATOM 91 N ILE A 7 5.258 12.018 -7.907 1.00 0.00 N ATOM 92 CA ILE A 7 6.327 12.999 -7.989 1.00 0.00 C ATOM 93 C ILE A 7 5.765 14.418 -7.934 1.00 0.00 C ATOM 94 O ILE A 7 4.769 14.717 -8.593 1.00 0.00 O ATOM 95 CB ILE A 7 7.119 12.779 -9.288 1.00 0.00 C ATOM 96 CG1 ILE A 7 7.501 11.306 -9.509 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.385 13.644 -9.274 1.00 0.00 C ATOM 98 CD1 ILE A 7 8.312 10.728 -8.352 1.00 0.00 C ATOM 0 H ILE A 7 4.577 12.094 -8.662 1.00 0.00 H new ATOM 0 HA ILE A 7 6.994 12.873 -7.136 1.00 0.00 H new ATOM 0 HB ILE A 7 6.470 13.070 -10.114 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.594 10.716 -9.642 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.077 11.218 -10.430 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.944 13.486 -10.196 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.107 14.695 -9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.005 13.367 -8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.554 9.686 -8.562 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.234 11.298 -8.233 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.728 10.787 -7.433 1.00 0.00 H new ATOM 110 N LEU A 8 6.407 15.289 -7.151 1.00 0.00 N ATOM 111 CA LEU A 8 6.058 16.704 -7.079 1.00 0.00 C ATOM 112 C LEU A 8 6.969 17.498 -8.022 1.00 0.00 C ATOM 113 O LEU A 8 8.169 17.234 -8.089 1.00 0.00 O ATOM 114 CB LEU A 8 6.189 17.176 -5.625 1.00 0.00 C ATOM 115 CG LEU A 8 5.211 18.283 -5.217 1.00 0.00 C ATOM 116 CD1 LEU A 8 5.586 18.777 -3.822 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.222 19.495 -6.140 1.00 0.00 C ATOM 0 H LEU A 8 7.187 15.028 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 8 5.028 16.866 -7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.043 16.320 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.206 17.532 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 8 4.216 17.840 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.898 19.566 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.525 17.950 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.603 19.168 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.503 20.232 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.219 19.936 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.952 19.186 -7.150 1.00 0.00 H new ATOM 129 N ILE A 9 6.402 18.464 -8.745 1.00 0.00 N ATOM 130 CA ILE A 9 7.128 19.307 -9.684 1.00 0.00 C ATOM 131 C ILE A 9 7.389 20.674 -9.054 1.00 0.00 C ATOM 132 O ILE A 9 6.456 21.330 -8.588 1.00 0.00 O ATOM 133 CB ILE A 9 6.308 19.441 -10.974 1.00 0.00 C ATOM 134 CG1 ILE A 9 6.103 18.069 -11.629 1.00 0.00 C ATOM 135 CG2 ILE A 9 7.008 20.388 -11.952 1.00 0.00 C ATOM 136 CD1 ILE A 9 5.009 18.115 -12.696 1.00 0.00 C ATOM 0 H ILE A 9 5.407 18.683 -8.691 1.00 0.00 H new ATOM 0 HA ILE A 9 8.091 18.857 -9.926 1.00 0.00 H new ATOM 0 HB ILE A 9 5.332 19.854 -10.718 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.038 17.736 -12.079 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.838 17.337 -10.866 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.415 20.474 -12.863 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.114 21.371 -11.494 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.994 19.994 -12.197 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.891 17.126 -13.139 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.068 18.423 -12.240 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.287 18.829 -13.471 1.00 0.00 H new ATOM 148 N VAL A 10 8.653 21.107 -9.032 1.00 0.00 N ATOM 149 CA VAL A 10 9.031 22.405 -8.484 1.00 0.00 C ATOM 150 C VAL A 10 9.954 23.126 -9.456 1.00 0.00 C ATOM 151 O VAL A 10 11.102 22.718 -9.635 1.00 0.00 O ATOM 152 CB VAL A 10 9.734 22.223 -7.132 1.00 0.00 C ATOM 153 CG1 VAL A 10 9.932 23.586 -6.468 1.00 0.00 C ATOM 154 CG2 VAL A 10 8.938 21.322 -6.190 1.00 0.00 C ATOM 0 H VAL A 10 9.439 20.566 -9.394 1.00 0.00 H new ATOM 0 HA VAL A 10 8.131 23.002 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 10 10.696 21.748 -7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.431 23.454 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.544 24.219 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.962 24.058 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.472 21.221 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.958 21.762 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.815 20.339 -6.644 1.00 0.00 H new ATOM 164 N GLU A 11 9.465 24.198 -10.086 1.00 0.00 N ATOM 165 CA GLU A 11 10.241 24.934 -11.076 1.00 0.00 C ATOM 166 C GLU A 11 9.956 26.436 -11.013 1.00 0.00 C ATOM 167 O GLU A 11 8.956 26.868 -10.444 1.00 0.00 O ATOM 168 CB GLU A 11 9.938 24.404 -12.483 1.00 0.00 C ATOM 169 CG GLU A 11 10.391 22.953 -12.646 1.00 0.00 C ATOM 170 CD GLU A 11 10.239 22.500 -14.094 1.00 0.00 C ATOM 171 OE1 GLU A 11 9.259 21.776 -14.370 1.00 0.00 O ATOM 172 OE2 GLU A 11 11.110 22.887 -14.909 1.00 0.00 O ATOM 0 H GLU A 11 8.530 24.573 -9.924 1.00 0.00 H new ATOM 0 HA GLU A 11 11.296 24.783 -10.849 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.868 24.476 -12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.439 25.028 -13.223 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.431 22.855 -12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.802 22.308 -11.994 1.00 0.00 H new ATOM 179 N ASP A 12 10.855 27.224 -11.609 1.00 0.00 N ATOM 180 CA ASP A 12 10.758 28.679 -11.656 1.00 0.00 C ATOM 181 C ASP A 12 10.169 29.156 -12.990 1.00 0.00 C ATOM 182 O ASP A 12 10.013 30.357 -13.202 1.00 0.00 O ATOM 183 CB ASP A 12 12.151 29.265 -11.404 1.00 0.00 C ATOM 184 CG ASP A 12 12.137 30.791 -11.346 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.872 31.408 -12.147 1.00 0.00 O ATOM 186 OD2 ASP A 12 11.389 31.329 -10.498 1.00 0.00 O ATOM 0 H ASP A 12 11.683 26.859 -12.079 1.00 0.00 H new ATOM 0 HA ASP A 12 10.076 29.029 -10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.544 28.872 -10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.828 28.940 -12.194 1.00 0.00 H new ATOM 191 N GLU A 13 9.840 28.223 -13.894 1.00 0.00 N ATOM 192 CA GLU A 13 9.287 28.551 -15.203 1.00 0.00 C ATOM 193 C GLU A 13 8.039 27.709 -15.458 1.00 0.00 C ATOM 194 O GLU A 13 8.152 26.514 -15.736 1.00 0.00 O ATOM 195 CB GLU A 13 10.343 28.305 -16.285 1.00 0.00 C ATOM 196 CG GLU A 13 11.540 29.240 -16.111 1.00 0.00 C ATOM 197 CD GLU A 13 12.545 29.051 -17.244 1.00 0.00 C ATOM 198 OE1 GLU A 13 12.518 29.877 -18.184 1.00 0.00 O ATOM 199 OE2 GLU A 13 13.336 28.085 -17.163 1.00 0.00 O ATOM 0 H GLU A 13 9.952 27.222 -13.733 1.00 0.00 H new ATOM 0 HA GLU A 13 9.005 29.603 -15.230 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.678 27.269 -16.241 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.901 28.455 -17.270 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.199 30.275 -16.091 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.023 29.045 -15.154 1.00 0.00 H new ATOM 206 N PRO A 14 6.844 28.311 -15.372 1.00 0.00 N ATOM 207 CA PRO A 14 5.576 27.623 -15.566 1.00 0.00 C ATOM 208 C PRO A 14 5.450 26.946 -16.930 1.00 0.00 C ATOM 209 O PRO A 14 4.659 26.017 -17.073 1.00 0.00 O ATOM 210 CB PRO A 14 4.505 28.706 -15.411 1.00 0.00 C ATOM 211 CG PRO A 14 5.182 29.760 -14.538 1.00 0.00 C ATOM 212 CD PRO A 14 6.624 29.703 -15.025 1.00 0.00 C ATOM 0 HA PRO A 14 5.478 26.813 -14.843 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.207 29.116 -16.376 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.604 28.314 -14.940 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.744 30.748 -14.679 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.101 29.523 -13.477 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.777 30.354 -15.886 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.316 30.032 -14.250 1.00 0.00 H new ATOM 220 N LEU A 15 6.212 27.389 -17.933 1.00 0.00 N ATOM 221 CA LEU A 15 6.130 26.815 -19.266 1.00 0.00 C ATOM 222 C LEU A 15 6.712 25.402 -19.275 1.00 0.00 C ATOM 223 O LEU A 15 6.156 24.502 -19.905 1.00 0.00 O ATOM 224 CB LEU A 15 6.874 27.730 -20.244 1.00 0.00 C ATOM 225 CG LEU A 15 6.841 27.204 -21.682 1.00 0.00 C ATOM 226 CD1 LEU A 15 5.404 27.090 -22.194 1.00 0.00 C ATOM 227 CD2 LEU A 15 7.608 28.164 -22.587 1.00 0.00 C ATOM 0 H LEU A 15 6.891 28.144 -17.841 1.00 0.00 H new ATOM 0 HA LEU A 15 5.087 26.739 -19.574 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.430 28.725 -20.215 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.910 27.834 -19.922 1.00 0.00 H new ATOM 0 HG LEU A 15 7.298 26.215 -21.694 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.411 26.714 -23.217 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.845 26.403 -21.559 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.931 28.072 -22.171 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.587 27.793 -23.612 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.144 29.150 -22.548 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.642 28.236 -22.248 1.00 0.00 H new ATOM 239 N ILE A 16 7.830 25.201 -18.575 1.00 0.00 N ATOM 240 CA ILE A 16 8.467 23.892 -18.523 1.00 0.00 C ATOM 241 C ILE A 16 7.719 23.011 -17.531 1.00 0.00 C ATOM 242 O ILE A 16 7.739 21.788 -17.651 1.00 0.00 O ATOM 243 CB ILE A 16 9.950 24.046 -18.158 1.00 0.00 C ATOM 244 CG1 ILE A 16 10.653 25.029 -19.109 1.00 0.00 C ATOM 245 CG2 ILE A 16 10.653 22.684 -18.206 1.00 0.00 C ATOM 246 CD1 ILE A 16 10.536 24.639 -20.585 1.00 0.00 C ATOM 0 H ILE A 16 8.308 25.926 -18.040 1.00 0.00 H new ATOM 0 HA ILE A 16 8.424 23.411 -19.500 1.00 0.00 H new ATOM 0 HB ILE A 16 10.008 24.445 -17.145 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.229 26.023 -18.969 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.707 25.091 -18.840 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.704 22.808 -17.945 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.180 22.005 -17.496 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.575 22.270 -19.211 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.054 25.376 -21.198 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.986 23.658 -20.739 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.484 24.605 -20.870 1.00 0.00 H new ATOM 258 N ALA A 17 7.053 23.623 -16.550 1.00 0.00 N ATOM 259 CA ALA A 17 6.266 22.881 -15.580 1.00 0.00 C ATOM 260 C ALA A 17 5.048 22.244 -16.255 1.00 0.00 C ATOM 261 O ALA A 17 4.542 21.225 -15.786 1.00 0.00 O ATOM 262 CB ALA A 17 5.848 23.828 -14.456 1.00 0.00 C ATOM 0 H ALA A 17 7.047 24.634 -16.411 1.00 0.00 H new ATOM 0 HA ALA A 17 6.863 22.072 -15.158 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.256 23.282 -13.721 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.737 24.236 -13.975 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.252 24.642 -14.869 1.00 0.00 H new ATOM 268 N MET A 18 4.574 22.839 -17.356 1.00 0.00 N ATOM 269 CA MET A 18 3.488 22.265 -18.136 1.00 0.00 C ATOM 270 C MET A 18 4.026 21.175 -19.061 1.00 0.00 C ATOM 271 O MET A 18 3.285 20.268 -19.434 1.00 0.00 O ATOM 272 CB MET A 18 2.786 23.365 -18.940 1.00 0.00 C ATOM 273 CG MET A 18 2.015 24.304 -18.014 1.00 0.00 C ATOM 274 SD MET A 18 0.647 23.514 -17.125 1.00 0.00 S ATOM 275 CE MET A 18 0.066 24.939 -16.173 1.00 0.00 C ATOM 0 H MET A 18 4.932 23.721 -17.722 1.00 0.00 H new ATOM 0 HA MET A 18 2.761 21.813 -17.462 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.522 23.932 -19.509 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.103 22.916 -19.661 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.708 24.729 -17.288 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.621 25.133 -18.602 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.784 24.643 -15.557 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.870 25.301 -15.532 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.239 25.732 -16.855 1.00 0.00 H new ATOM 285 N MET A 19 5.308 21.245 -19.432 1.00 0.00 N ATOM 286 CA MET A 19 5.928 20.166 -20.191 1.00 0.00 C ATOM 287 C MET A 19 6.166 18.963 -19.282 1.00 0.00 C ATOM 288 O MET A 19 6.128 17.827 -19.744 1.00 0.00 O ATOM 289 CB MET A 19 7.245 20.636 -20.813 1.00 0.00 C ATOM 290 CG MET A 19 6.993 21.712 -21.869 1.00 0.00 C ATOM 291 SD MET A 19 8.495 22.349 -22.657 1.00 0.00 S ATOM 292 CE MET A 19 9.093 20.838 -23.454 1.00 0.00 C ATOM 0 H MET A 19 5.926 22.028 -19.220 1.00 0.00 H new ATOM 0 HA MET A 19 5.256 19.871 -20.997 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.900 21.030 -20.035 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.761 19.789 -21.266 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.338 21.303 -22.639 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.460 22.542 -21.405 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.826 21.096 -24.219 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.558 20.193 -22.709 1.00 0.00 H new ATOM 0 HE3 MET A 19 8.256 20.314 -23.915 1.00 0.00 H new ATOM 302 N LEU A 20 6.406 19.196 -17.987 1.00 0.00 N ATOM 303 CA LEU A 20 6.558 18.109 -17.030 1.00 0.00 C ATOM 304 C LEU A 20 5.222 17.403 -16.824 1.00 0.00 C ATOM 305 O LEU A 20 5.195 16.199 -16.580 1.00 0.00 O ATOM 306 CB LEU A 20 7.092 18.653 -15.701 1.00 0.00 C ATOM 307 CG LEU A 20 8.598 18.442 -15.518 1.00 0.00 C ATOM 308 CD1 LEU A 20 8.893 16.958 -15.322 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.397 18.988 -16.701 1.00 0.00 C ATOM 0 H LEU A 20 6.498 20.128 -17.584 1.00 0.00 H new ATOM 0 HA LEU A 20 7.274 17.386 -17.421 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.872 19.719 -15.639 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.563 18.169 -14.880 1.00 0.00 H new ATOM 0 HG LEU A 20 8.908 18.996 -14.631 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.966 16.814 -15.192 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.369 16.597 -14.437 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.555 16.401 -16.196 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.460 18.818 -16.531 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.089 18.478 -17.614 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.212 20.057 -16.802 1.00 0.00 H new ATOM 321 N GLU A 21 4.110 18.134 -16.921 1.00 0.00 N ATOM 322 CA GLU A 21 2.793 17.528 -16.829 1.00 0.00 C ATOM 323 C GLU A 21 2.468 16.774 -18.117 1.00 0.00 C ATOM 324 O GLU A 21 1.638 15.867 -18.105 1.00 0.00 O ATOM 325 CB GLU A 21 1.750 18.613 -16.561 1.00 0.00 C ATOM 326 CG GLU A 21 1.833 19.132 -15.125 1.00 0.00 C ATOM 327 CD GLU A 21 1.251 18.119 -14.139 1.00 0.00 C ATOM 328 OE1 GLU A 21 0.069 18.294 -13.766 1.00 0.00 O ATOM 329 OE2 GLU A 21 1.986 17.179 -13.764 1.00 0.00 O ATOM 0 H GLU A 21 4.102 19.144 -17.063 1.00 0.00 H new ATOM 0 HA GLU A 21 2.780 16.814 -16.005 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.897 19.440 -17.256 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.753 18.214 -16.747 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.872 19.338 -14.869 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.292 20.075 -15.044 1.00 0.00 H new ATOM 336 N ASP A 22 3.111 17.138 -19.229 1.00 0.00 N ATOM 337 CA ASP A 22 2.863 16.492 -20.505 1.00 0.00 C ATOM 338 C ASP A 22 3.623 15.173 -20.611 1.00 0.00 C ATOM 339 O ASP A 22 3.063 14.182 -21.076 1.00 0.00 O ATOM 340 CB ASP A 22 3.239 17.446 -21.641 1.00 0.00 C ATOM 341 CG ASP A 22 2.883 16.849 -22.999 1.00 0.00 C ATOM 342 OD1 ASP A 22 1.672 16.797 -23.307 1.00 0.00 O ATOM 343 OD2 ASP A 22 3.825 16.450 -23.720 1.00 0.00 O ATOM 0 H ASP A 22 3.809 17.881 -19.264 1.00 0.00 H new ATOM 0 HA ASP A 22 1.802 16.255 -20.583 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.720 18.395 -21.510 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.307 17.659 -21.603 1.00 0.00 H new ATOM 348 N PHE A 23 4.892 15.134 -20.191 1.00 0.00 N ATOM 349 CA PHE A 23 5.662 13.905 -20.284 1.00 0.00 C ATOM 350 C PHE A 23 5.236 12.889 -19.227 1.00 0.00 C ATOM 351 O PHE A 23 5.382 11.689 -19.444 1.00 0.00 O ATOM 352 CB PHE A 23 7.154 14.211 -20.169 1.00 0.00 C ATOM 353 CG PHE A 23 7.765 14.738 -21.448 1.00 0.00 C ATOM 354 CD1 PHE A 23 8.144 16.084 -21.557 1.00 0.00 C ATOM 355 CD2 PHE A 23 7.959 13.871 -22.532 1.00 0.00 C ATOM 356 CE1 PHE A 23 8.705 16.562 -22.749 1.00 0.00 C ATOM 357 CE2 PHE A 23 8.531 14.346 -23.720 1.00 0.00 C ATOM 358 CZ PHE A 23 8.903 15.695 -23.832 1.00 0.00 C ATOM 0 H PHE A 23 5.394 15.927 -19.792 1.00 0.00 H new ATOM 0 HA PHE A 23 5.465 13.459 -21.259 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.306 14.943 -19.375 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.680 13.304 -19.872 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.003 16.753 -20.721 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.667 12.834 -22.452 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.986 17.602 -22.833 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.686 13.673 -24.551 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.340 16.063 -24.749 1.00 0.00 H new ATOM 368 N LEU A 24 4.709 13.340 -18.082 1.00 0.00 N ATOM 369 CA LEU A 24 4.249 12.412 -17.058 1.00 0.00 C ATOM 370 C LEU A 24 2.876 11.840 -17.417 1.00 0.00 C ATOM 371 O LEU A 24 2.477 10.816 -16.866 1.00 0.00 O ATOM 372 CB LEU A 24 4.245 13.112 -15.697 1.00 0.00 C ATOM 373 CG LEU A 24 5.662 13.472 -15.227 1.00 0.00 C ATOM 374 CD1 LEU A 24 5.572 14.268 -13.928 1.00 0.00 C ATOM 375 CD2 LEU A 24 6.502 12.225 -14.958 1.00 0.00 C ATOM 0 H LEU A 24 4.594 14.326 -17.849 1.00 0.00 H new ATOM 0 HA LEU A 24 4.934 11.566 -17.001 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.643 14.018 -15.758 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.772 12.465 -14.958 1.00 0.00 H new ATOM 0 HG LEU A 24 6.136 14.053 -16.018 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.575 14.526 -13.589 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.001 15.180 -14.099 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.076 13.667 -13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.498 12.521 -14.628 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.025 11.626 -14.182 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.583 11.637 -15.872 1.00 0.00 H new ATOM 387 N GLU A 25 2.150 12.487 -18.335 1.00 0.00 N ATOM 388 CA GLU A 25 0.873 11.974 -18.807 1.00 0.00 C ATOM 389 C GLU A 25 1.079 10.958 -19.933 1.00 0.00 C ATOM 390 O GLU A 25 0.249 10.071 -20.123 1.00 0.00 O ATOM 391 CB GLU A 25 0.007 13.152 -19.263 1.00 0.00 C ATOM 392 CG GLU A 25 -1.391 12.689 -19.670 1.00 0.00 C ATOM 393 CD GLU A 25 -2.272 13.884 -20.027 1.00 0.00 C ATOM 394 OE1 GLU A 25 -2.297 14.247 -21.225 1.00 0.00 O ATOM 395 OE2 GLU A 25 -2.917 14.422 -19.100 1.00 0.00 O ATOM 0 H GLU A 25 2.432 13.369 -18.763 1.00 0.00 H new ATOM 0 HA GLU A 25 0.363 11.451 -17.998 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.070 13.883 -18.458 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.485 13.654 -20.104 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.322 12.014 -20.523 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.845 12.127 -18.854 1.00 0.00 H new ATOM 402 N VAL A 26 2.183 11.076 -20.679 1.00 0.00 N ATOM 403 CA VAL A 26 2.502 10.158 -21.770 1.00 0.00 C ATOM 404 C VAL A 26 3.211 8.910 -21.240 1.00 0.00 C ATOM 405 O VAL A 26 3.231 7.877 -21.909 1.00 0.00 O ATOM 406 CB VAL A 26 3.348 10.896 -22.813 1.00 0.00 C ATOM 407 CG1 VAL A 26 3.859 9.963 -23.913 1.00 0.00 C ATOM 408 CG2 VAL A 26 2.505 11.985 -23.481 1.00 0.00 C ATOM 0 H VAL A 26 2.877 11.810 -20.541 1.00 0.00 H new ATOM 0 HA VAL A 26 1.582 9.818 -22.246 1.00 0.00 H new ATOM 0 HB VAL A 26 4.203 11.318 -22.285 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.453 10.533 -24.627 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.477 9.182 -23.470 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.012 9.508 -24.427 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.108 12.509 -24.222 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.644 11.530 -23.970 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.162 12.693 -22.727 1.00 0.00 H new ATOM 418 N LEU A 27 3.792 8.997 -20.040 1.00 0.00 N ATOM 419 CA LEU A 27 4.510 7.888 -19.424 1.00 0.00 C ATOM 420 C LEU A 27 3.679 7.215 -18.328 1.00 0.00 C ATOM 421 O LEU A 27 4.223 6.482 -17.502 1.00 0.00 O ATOM 422 CB LEU A 27 5.881 8.362 -18.929 1.00 0.00 C ATOM 423 CG LEU A 27 6.762 8.851 -20.085 1.00 0.00 C ATOM 424 CD1 LEU A 27 8.074 9.397 -19.531 1.00 0.00 C ATOM 425 CD2 LEU A 27 7.085 7.718 -21.060 1.00 0.00 C ATOM 0 H LEU A 27 3.775 9.843 -19.470 1.00 0.00 H new ATOM 0 HA LEU A 27 4.682 7.118 -20.176 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.749 9.167 -18.206 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.383 7.546 -18.409 1.00 0.00 H new ATOM 0 HG LEU A 27 6.212 9.628 -20.616 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.700 9.744 -20.353 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.866 10.228 -18.857 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.595 8.609 -18.986 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.711 8.100 -21.867 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.616 6.925 -20.533 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.159 7.321 -21.476 1.00 0.00 H new ATOM 437 N ASP A 28 2.365 7.463 -18.323 1.00 0.00 N ATOM 438 CA ASP A 28 1.420 6.846 -17.397 1.00 0.00 C ATOM 439 C ASP A 28 1.849 6.984 -15.933 1.00 0.00 C ATOM 440 O ASP A 28 1.642 6.078 -15.126 1.00 0.00 O ATOM 441 CB ASP A 28 1.151 5.400 -17.822 1.00 0.00 C ATOM 442 CG ASP A 28 -0.033 4.792 -17.070 1.00 0.00 C ATOM 443 OD1 ASP A 28 -1.070 5.482 -16.963 1.00 0.00 O ATOM 444 OD2 ASP A 28 0.111 3.637 -16.607 1.00 0.00 O ATOM 0 H ASP A 28 1.924 8.111 -18.976 1.00 0.00 H new ATOM 0 HA ASP A 28 0.476 7.388 -17.452 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.955 5.368 -18.894 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.042 4.798 -17.643 1.00 0.00 H new ATOM 449 N LYS A 29 2.455 8.125 -15.593 1.00 0.00 N ATOM 450 CA LYS A 29 2.912 8.417 -14.240 1.00 0.00 C ATOM 451 C LYS A 29 1.760 9.015 -13.428 1.00 0.00 C ATOM 452 O LYS A 29 0.755 9.439 -14.001 1.00 0.00 O ATOM 453 CB LYS A 29 4.113 9.366 -14.329 1.00 0.00 C ATOM 454 CG LYS A 29 5.321 8.862 -13.537 1.00 0.00 C ATOM 455 CD LYS A 29 5.036 8.838 -12.037 1.00 0.00 C ATOM 456 CE LYS A 29 6.328 8.647 -11.248 1.00 0.00 C ATOM 457 NZ LYS A 29 6.984 7.366 -11.573 1.00 0.00 N ATOM 0 H LYS A 29 2.642 8.876 -16.258 1.00 0.00 H new ATOM 0 HA LYS A 29 3.229 7.508 -13.728 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.395 9.492 -15.374 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.823 10.349 -13.957 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.586 7.860 -13.874 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.180 9.503 -13.735 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.555 9.769 -11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.340 8.031 -11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.010 9.470 -11.463 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.111 8.684 -10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.139 6.824 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.378 6.819 -12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.899 7.551 -12.032 1.00 0.00 H new ATOM 471 N THR A 30 1.889 9.056 -12.098 1.00 0.00 N ATOM 472 CA THR A 30 0.852 9.597 -11.223 1.00 0.00 C ATOM 473 C THR A 30 1.367 10.817 -10.457 1.00 0.00 C ATOM 474 O THR A 30 1.604 10.737 -9.254 1.00 0.00 O ATOM 475 CB THR A 30 0.334 8.502 -10.275 1.00 0.00 C ATOM 476 OG1 THR A 30 0.035 7.339 -11.020 1.00 0.00 O ATOM 477 CG2 THR A 30 -0.947 8.964 -9.578 1.00 0.00 C ATOM 0 H THR A 30 2.713 8.716 -11.602 1.00 0.00 H new ATOM 0 HA THR A 30 0.014 9.933 -11.834 1.00 0.00 H new ATOM 0 HB THR A 30 1.104 8.296 -9.531 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.294 6.640 -10.417 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.302 8.179 -8.911 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.742 9.866 -9.001 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.711 9.177 -10.325 1.00 0.00 H new ATOM 485 N PRO A 31 1.552 11.963 -11.128 1.00 0.00 N ATOM 486 CA PRO A 31 2.013 13.184 -10.490 1.00 0.00 C ATOM 487 C PRO A 31 0.987 13.663 -9.468 1.00 0.00 C ATOM 488 O PRO A 31 -0.189 13.298 -9.547 1.00 0.00 O ATOM 489 CB PRO A 31 2.206 14.191 -11.625 1.00 0.00 C ATOM 490 CG PRO A 31 1.248 13.693 -12.703 1.00 0.00 C ATOM 491 CD PRO A 31 1.314 12.178 -12.540 1.00 0.00 C ATOM 0 HA PRO A 31 2.943 13.042 -9.940 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.963 15.205 -11.308 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.237 14.206 -11.979 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.237 14.072 -12.552 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.561 14.007 -13.699 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.385 11.706 -12.860 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.114 11.750 -13.145 1.00 0.00 H new ATOM 499 N VAL A 32 1.425 14.477 -8.505 1.00 0.00 N ATOM 500 CA VAL A 32 0.572 14.884 -7.393 1.00 0.00 C ATOM 501 C VAL A 32 0.397 16.393 -7.284 1.00 0.00 C ATOM 502 O VAL A 32 -0.434 16.853 -6.503 1.00 0.00 O ATOM 503 CB VAL A 32 1.113 14.305 -6.083 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.156 12.783 -6.165 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.526 14.801 -5.777 1.00 0.00 C ATOM 0 H VAL A 32 2.367 14.866 -8.476 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.421 14.481 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 32 0.443 14.636 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.542 12.379 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.151 12.399 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.806 12.481 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.870 14.365 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.198 14.505 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.520 15.888 -5.691 1.00 0.00 H new ATOM 515 N GLY A 33 1.161 17.178 -8.047 1.00 0.00 N ATOM 516 CA GLY A 33 1.019 18.624 -8.017 1.00 0.00 C ATOM 517 C GLY A 33 2.201 19.336 -8.661 1.00 0.00 C ATOM 518 O GLY A 33 3.193 18.709 -9.040 1.00 0.00 O ATOM 0 H GLY A 33 1.877 16.834 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.102 18.907 -8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.918 18.955 -6.983 1.00 0.00 H new ATOM 522 N THR A 34 2.074 20.659 -8.777 1.00 0.00 N ATOM 523 CA THR A 34 3.096 21.538 -9.328 1.00 0.00 C ATOM 524 C THR A 34 3.117 22.825 -8.508 1.00 0.00 C ATOM 525 O THR A 34 2.058 23.352 -8.166 1.00 0.00 O ATOM 526 CB THR A 34 2.779 21.843 -10.793 1.00 0.00 C ATOM 527 OG1 THR A 34 2.742 20.651 -11.541 1.00 0.00 O ATOM 528 CG2 THR A 34 3.829 22.767 -11.402 1.00 0.00 C ATOM 0 H THR A 34 1.234 21.157 -8.482 1.00 0.00 H new ATOM 0 HA THR A 34 4.074 21.058 -9.282 1.00 0.00 H new ATOM 0 HB THR A 34 1.807 22.335 -10.823 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.537 20.858 -12.477 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.578 22.966 -12.444 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.853 23.706 -10.848 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.808 22.290 -11.350 1.00 0.00 H new ATOM 536 N VAL A 35 4.311 23.332 -8.193 1.00 0.00 N ATOM 537 CA VAL A 35 4.460 24.546 -7.402 1.00 0.00 C ATOM 538 C VAL A 35 5.559 25.443 -7.973 1.00 0.00 C ATOM 539 O VAL A 35 6.456 24.978 -8.676 1.00 0.00 O ATOM 540 CB VAL A 35 4.723 24.205 -5.927 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.510 23.508 -5.312 1.00 0.00 C ATOM 542 CG2 VAL A 35 5.934 23.291 -5.772 1.00 0.00 C ATOM 0 H VAL A 35 5.195 22.912 -8.480 1.00 0.00 H new ATOM 0 HA VAL A 35 3.524 25.103 -7.454 1.00 0.00 H new ATOM 0 HB VAL A 35 4.916 25.146 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.715 23.274 -4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.643 24.166 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.305 22.586 -5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.091 23.070 -4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.760 22.362 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.818 23.787 -6.174 1.00 0.00 H new ATOM 552 N ASP A 36 5.471 26.737 -7.659 1.00 0.00 N ATOM 553 CA ASP A 36 6.369 27.761 -8.171 1.00 0.00 C ATOM 554 C ASP A 36 7.486 28.086 -7.174 1.00 0.00 C ATOM 555 O ASP A 36 8.382 28.873 -7.476 1.00 0.00 O ATOM 556 CB ASP A 36 5.519 28.990 -8.504 1.00 0.00 C ATOM 557 CG ASP A 36 6.338 30.165 -9.028 1.00 0.00 C ATOM 558 OD1 ASP A 36 7.066 29.978 -10.028 1.00 0.00 O ATOM 559 OD2 ASP A 36 6.229 31.251 -8.418 1.00 0.00 O ATOM 0 H ASP A 36 4.758 27.104 -7.029 1.00 0.00 H new ATOM 0 HA ASP A 36 6.876 27.405 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.772 28.716 -9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.978 29.302 -7.611 1.00 0.00 H new ATOM 564 N THR A 37 7.444 27.485 -5.984 1.00 0.00 N ATOM 565 CA THR A 37 8.454 27.700 -4.951 1.00 0.00 C ATOM 566 C THR A 37 8.581 26.465 -4.065 1.00 0.00 C ATOM 567 O THR A 37 7.657 25.656 -3.981 1.00 0.00 O ATOM 568 CB THR A 37 8.103 28.940 -4.124 1.00 0.00 C ATOM 569 OG1 THR A 37 9.060 29.106 -3.102 1.00 0.00 O ATOM 570 CG2 THR A 37 6.721 28.830 -3.480 1.00 0.00 C ATOM 0 H THR A 37 6.707 26.835 -5.711 1.00 0.00 H new ATOM 0 HA THR A 37 9.419 27.870 -5.428 1.00 0.00 H new ATOM 0 HB THR A 37 8.099 29.794 -4.801 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.838 29.900 -2.572 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.515 29.732 -2.904 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.965 28.716 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.695 27.964 -2.819 1.00 0.00 H new ATOM 578 N VAL A 38 9.732 26.319 -3.402 1.00 0.00 N ATOM 579 CA VAL A 38 10.014 25.168 -2.555 1.00 0.00 C ATOM 580 C VAL A 38 9.169 25.217 -1.285 1.00 0.00 C ATOM 581 O VAL A 38 8.932 24.187 -0.657 1.00 0.00 O ATOM 582 CB VAL A 38 11.512 25.141 -2.227 1.00 0.00 C ATOM 583 CG1 VAL A 38 11.874 23.894 -1.417 1.00 0.00 C ATOM 584 CG2 VAL A 38 12.333 25.122 -3.520 1.00 0.00 C ATOM 0 H VAL A 38 10.492 26.999 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 38 9.753 24.252 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 38 11.737 26.034 -1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.942 23.900 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.312 23.891 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.626 23.002 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.395 25.103 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.078 24.235 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.111 26.014 -4.105 1.00 0.00 H new ATOM 594 N ALA A 39 8.706 26.407 -0.892 1.00 0.00 N ATOM 595 CA ALA A 39 7.855 26.543 0.279 1.00 0.00 C ATOM 596 C ALA A 39 6.476 25.937 0.005 1.00 0.00 C ATOM 597 O ALA A 39 5.788 25.511 0.934 1.00 0.00 O ATOM 598 CB ALA A 39 7.742 28.027 0.635 1.00 0.00 C ATOM 0 H ALA A 39 8.909 27.285 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 39 8.291 26.005 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.106 28.143 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.733 28.426 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.306 28.570 -0.204 1.00 0.00 H new ATOM 604 N GLY A 40 6.072 25.897 -1.268 1.00 0.00 N ATOM 605 CA GLY A 40 4.810 25.296 -1.665 1.00 0.00 C ATOM 606 C GLY A 40 4.934 23.776 -1.756 1.00 0.00 C ATOM 607 O GLY A 40 3.932 23.067 -1.687 1.00 0.00 O ATOM 0 H GLY A 40 6.612 26.280 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.035 25.559 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.499 25.698 -2.629 1.00 0.00 H new ATOM 611 N ALA A 41 6.163 23.270 -1.906 1.00 0.00 N ATOM 612 CA ALA A 41 6.395 21.838 -1.985 1.00 0.00 C ATOM 613 C ALA A 41 6.242 21.209 -0.602 1.00 0.00 C ATOM 614 O ALA A 41 5.708 20.108 -0.478 1.00 0.00 O ATOM 615 CB ALA A 41 7.790 21.592 -2.557 1.00 0.00 C ATOM 0 H ALA A 41 7.008 23.838 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 41 5.661 21.374 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.973 20.519 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.858 22.031 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.536 22.050 -1.907 1.00 0.00 H new ATOM 621 N LEU A 42 6.710 21.904 0.441 1.00 0.00 N ATOM 622 CA LEU A 42 6.565 21.429 1.806 1.00 0.00 C ATOM 623 C LEU A 42 5.104 21.560 2.242 1.00 0.00 C ATOM 624 O LEU A 42 4.615 20.753 3.028 1.00 0.00 O ATOM 625 CB LEU A 42 7.502 22.236 2.712 1.00 0.00 C ATOM 626 CG LEU A 42 7.430 21.785 4.177 1.00 0.00 C ATOM 627 CD1 LEU A 42 7.844 20.321 4.329 1.00 0.00 C ATOM 628 CD2 LEU A 42 8.378 22.646 5.009 1.00 0.00 C ATOM 0 H LEU A 42 7.192 22.799 0.357 1.00 0.00 H new ATOM 0 HA LEU A 42 6.838 20.376 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.526 22.135 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.245 23.293 2.647 1.00 0.00 H new ATOM 0 HG LEU A 42 6.400 21.895 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.782 20.032 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.177 19.691 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.868 20.194 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.333 22.333 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.396 22.529 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.082 23.692 4.932 1.00 0.00 H new ATOM 640 N ALA A 43 4.404 22.576 1.730 1.00 0.00 N ATOM 641 CA ALA A 43 3.000 22.772 2.037 1.00 0.00 C ATOM 642 C ALA A 43 2.145 21.671 1.409 1.00 0.00 C ATOM 643 O ALA A 43 1.050 21.392 1.899 1.00 0.00 O ATOM 644 CB ALA A 43 2.570 24.150 1.537 1.00 0.00 C ATOM 0 H ALA A 43 4.797 23.274 1.099 1.00 0.00 H new ATOM 0 HA ALA A 43 2.855 22.719 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.515 24.306 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.165 24.918 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.722 24.210 0.459 1.00 0.00 H new ATOM 650 N ARG A 44 2.631 21.043 0.330 1.00 0.00 N ATOM 651 CA ARG A 44 1.906 19.965 -0.327 1.00 0.00 C ATOM 652 C ARG A 44 2.147 18.633 0.382 1.00 0.00 C ATOM 653 O ARG A 44 1.304 17.743 0.304 1.00 0.00 O ATOM 654 CB ARG A 44 2.325 19.910 -1.801 1.00 0.00 C ATOM 655 CG ARG A 44 1.429 18.987 -2.635 1.00 0.00 C ATOM 656 CD ARG A 44 -0.031 19.448 -2.646 1.00 0.00 C ATOM 657 NE ARG A 44 -0.163 20.796 -3.213 1.00 0.00 N ATOM 658 CZ ARG A 44 -1.266 21.547 -3.120 1.00 0.00 C ATOM 659 NH1 ARG A 44 -2.348 21.107 -2.481 1.00 0.00 N ATOM 660 NH2 ARG A 44 -1.283 22.755 -3.671 1.00 0.00 N ATOM 0 H ARG A 44 3.527 21.269 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 44 0.834 20.158 -0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.295 20.915 -2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.357 19.566 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.803 18.949 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.485 17.974 -2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.631 18.747 -3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.425 19.439 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 44 0.638 21.185 -3.710 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.346 20.182 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.179 21.695 -2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.459 23.104 -4.161 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.120 23.334 -3.605 1.00 0.00 H new ATOM 674 N VAL A 45 3.284 18.490 1.074 1.00 0.00 N ATOM 675 CA VAL A 45 3.572 17.293 1.859 1.00 0.00 C ATOM 676 C VAL A 45 2.687 17.274 3.105 1.00 0.00 C ATOM 677 O VAL A 45 2.387 16.207 3.642 1.00 0.00 O ATOM 678 CB VAL A 45 5.061 17.256 2.226 1.00 0.00 C ATOM 679 CG1 VAL A 45 5.375 16.119 3.198 1.00 0.00 C ATOM 680 CG2 VAL A 45 5.906 17.032 0.972 1.00 0.00 C ATOM 0 H VAL A 45 4.020 19.195 1.103 1.00 0.00 H new ATOM 0 HA VAL A 45 3.351 16.402 1.271 1.00 0.00 H new ATOM 0 HB VAL A 45 5.295 18.212 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.439 16.126 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.799 16.254 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.111 15.166 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.961 17.007 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.628 16.084 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.732 17.844 0.266 1.00 0.00 H new ATOM 690 N GLU A 46 2.266 18.452 3.572 1.00 0.00 N ATOM 691 CA GLU A 46 1.334 18.569 4.686 1.00 0.00 C ATOM 692 C GLU A 46 -0.108 18.380 4.212 1.00 0.00 C ATOM 693 O GLU A 46 -1.003 18.184 5.029 1.00 0.00 O ATOM 694 CB GLU A 46 1.515 19.934 5.358 1.00 0.00 C ATOM 695 CG GLU A 46 2.893 20.065 6.014 1.00 0.00 C ATOM 696 CD GLU A 46 3.071 19.055 7.144 1.00 0.00 C ATOM 697 OE1 GLU A 46 2.460 19.268 8.215 1.00 0.00 O ATOM 698 OE2 GLU A 46 3.818 18.073 6.933 1.00 0.00 O ATOM 0 H GLU A 46 2.564 19.348 3.186 1.00 0.00 H new ATOM 0 HA GLU A 46 1.545 17.784 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.388 20.724 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.739 20.075 6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.670 19.915 5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.017 21.075 6.404 1.00 0.00 H new ATOM 705 N ASP A 47 -0.337 18.440 2.895 1.00 0.00 N ATOM 706 CA ASP A 47 -1.667 18.337 2.305 1.00 0.00 C ATOM 707 C ASP A 47 -1.956 16.926 1.785 1.00 0.00 C ATOM 708 O ASP A 47 -3.110 16.595 1.507 1.00 0.00 O ATOM 709 CB ASP A 47 -1.769 19.373 1.182 1.00 0.00 C ATOM 710 CG ASP A 47 -3.136 19.365 0.505 1.00 0.00 C ATOM 711 OD1 ASP A 47 -4.135 19.647 1.205 1.00 0.00 O ATOM 712 OD2 ASP A 47 -3.169 19.078 -0.714 1.00 0.00 O ATOM 0 H ASP A 47 0.406 18.563 2.207 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.418 18.536 3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.574 20.365 1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.997 19.176 0.438 1.00 0.00 H new ATOM 717 N GLY A 48 -0.925 16.087 1.649 1.00 0.00 N ATOM 718 CA GLY A 48 -1.088 14.720 1.184 1.00 0.00 C ATOM 719 C GLY A 48 0.253 14.004 1.056 1.00 0.00 C ATOM 720 O GLY A 48 1.312 14.626 1.150 1.00 0.00 O ATOM 0 H GLY A 48 0.040 16.342 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.728 14.174 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.593 14.722 0.218 1.00 0.00 H new ATOM 724 N GLY A 49 0.208 12.688 0.842 1.00 0.00 N ATOM 725 CA GLY A 49 1.406 11.876 0.714 1.00 0.00 C ATOM 726 C GLY A 49 2.078 12.065 -0.644 1.00 0.00 C ATOM 727 O GLY A 49 1.407 12.311 -1.647 1.00 0.00 O ATOM 0 H GLY A 49 -0.661 12.162 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.108 12.137 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.149 10.825 0.849 1.00 0.00 H new ATOM 731 N ILE A 50 3.407 11.947 -0.667 1.00 0.00 N ATOM 732 CA ILE A 50 4.223 12.080 -1.870 1.00 0.00 C ATOM 733 C ILE A 50 5.383 11.090 -1.759 1.00 0.00 C ATOM 734 O ILE A 50 5.829 10.801 -0.650 1.00 0.00 O ATOM 735 CB ILE A 50 4.737 13.524 -2.005 1.00 0.00 C ATOM 736 CG1 ILE A 50 3.566 14.515 -1.932 1.00 0.00 C ATOM 737 CG2 ILE A 50 5.512 13.691 -3.317 1.00 0.00 C ATOM 738 CD1 ILE A 50 3.998 15.951 -2.217 1.00 0.00 C ATOM 0 H ILE A 50 3.956 11.752 0.170 1.00 0.00 H new ATOM 0 HA ILE A 50 3.635 11.860 -2.761 1.00 0.00 H new ATOM 0 HB ILE A 50 5.415 13.735 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.799 14.220 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.113 14.465 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.870 14.717 -3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.362 13.008 -3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.856 13.466 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.133 16.611 -2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.744 16.259 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.426 16.010 -3.218 1.00 0.00 H new ATOM 750 N ASP A 51 5.878 10.567 -2.887 1.00 0.00 N ATOM 751 CA ASP A 51 6.957 9.586 -2.847 1.00 0.00 C ATOM 752 C ASP A 51 8.305 10.228 -3.173 1.00 0.00 C ATOM 753 O ASP A 51 9.334 9.780 -2.671 1.00 0.00 O ATOM 754 CB ASP A 51 6.658 8.432 -3.806 1.00 0.00 C ATOM 755 CG ASP A 51 5.366 7.697 -3.452 1.00 0.00 C ATOM 756 OD1 ASP A 51 5.108 7.513 -2.242 1.00 0.00 O ATOM 757 OD2 ASP A 51 4.646 7.320 -4.403 1.00 0.00 O ATOM 0 H ASP A 51 5.551 10.805 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 51 7.019 9.191 -1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.586 8.818 -4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.489 7.727 -3.791 1.00 0.00 H new ATOM 762 N ALA A 52 8.306 11.275 -4.008 1.00 0.00 N ATOM 763 CA ALA A 52 9.517 12.017 -4.342 1.00 0.00 C ATOM 764 C ALA A 52 9.165 13.365 -4.971 1.00 0.00 C ATOM 765 O ALA A 52 7.996 13.654 -5.224 1.00 0.00 O ATOM 766 CB ALA A 52 10.358 11.193 -5.316 1.00 0.00 C ATOM 0 H ALA A 52 7.466 11.627 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 52 10.084 12.202 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.265 11.743 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.627 10.244 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.783 11.004 -6.223 1.00 0.00 H new ATOM 772 N ALA A 53 10.178 14.195 -5.232 1.00 0.00 N ATOM 773 CA ALA A 53 9.977 15.482 -5.877 1.00 0.00 C ATOM 774 C ALA A 53 11.177 15.852 -6.746 1.00 0.00 C ATOM 775 O ALA A 53 12.264 15.301 -6.582 1.00 0.00 O ATOM 776 CB ALA A 53 9.740 16.542 -4.803 1.00 0.00 C ATOM 0 H ALA A 53 11.150 13.991 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 53 9.107 15.424 -6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.588 17.512 -5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.856 16.280 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.606 16.592 -4.144 1.00 0.00 H new ATOM 782 N ILE A 54 10.980 16.791 -7.674 1.00 0.00 N ATOM 783 CA ILE A 54 12.051 17.294 -8.523 1.00 0.00 C ATOM 784 C ILE A 54 12.209 18.788 -8.261 1.00 0.00 C ATOM 785 O ILE A 54 11.224 19.524 -8.269 1.00 0.00 O ATOM 786 CB ILE A 54 11.754 16.994 -9.999 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.649 15.475 -10.202 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.862 17.579 -10.878 1.00 0.00 C ATOM 789 CD1 ILE A 54 11.291 15.110 -11.645 1.00 0.00 C ATOM 0 H ILE A 54 10.073 17.221 -7.854 1.00 0.00 H new ATOM 0 HA ILE A 54 12.991 16.794 -8.288 1.00 0.00 H new ATOM 0 HB ILE A 54 10.807 17.453 -10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.597 15.008 -9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.893 15.071 -9.528 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.648 17.364 -11.925 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.911 18.658 -10.732 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.818 17.132 -10.604 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.228 14.026 -11.741 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.330 15.554 -11.905 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.060 15.490 -12.318 1.00 0.00 H new ATOM 801 N LEU A 55 13.448 19.229 -8.031 1.00 0.00 N ATOM 802 CA LEU A 55 13.748 20.600 -7.641 1.00 0.00 C ATOM 803 C LEU A 55 14.561 21.292 -8.731 1.00 0.00 C ATOM 804 O LEU A 55 15.500 20.707 -9.271 1.00 0.00 O ATOM 805 CB LEU A 55 14.549 20.604 -6.331 1.00 0.00 C ATOM 806 CG LEU A 55 13.737 20.384 -5.047 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.800 21.562 -4.799 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.914 19.097 -5.068 1.00 0.00 C ATOM 0 H LEU A 55 14.274 18.637 -8.112 1.00 0.00 H new ATOM 0 HA LEU A 55 12.810 21.136 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.312 19.828 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.070 21.558 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 55 14.467 20.298 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.232 21.389 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.384 22.476 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.113 21.664 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.364 19.001 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.211 19.128 -5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.579 18.242 -5.187 1.00 0.00 H new ATOM 820 N ASP A 56 14.205 22.537 -9.054 1.00 0.00 N ATOM 821 CA ASP A 56 15.001 23.351 -9.962 1.00 0.00 C ATOM 822 C ASP A 56 16.147 23.990 -9.174 1.00 0.00 C ATOM 823 O ASP A 56 15.973 24.340 -8.006 1.00 0.00 O ATOM 824 CB ASP A 56 14.105 24.388 -10.637 1.00 0.00 C ATOM 825 CG ASP A 56 14.777 25.054 -11.837 1.00 0.00 C ATOM 826 OD1 ASP A 56 14.226 24.914 -12.950 1.00 0.00 O ATOM 827 OD2 ASP A 56 15.830 25.696 -11.639 1.00 0.00 O ATOM 0 H ASP A 56 13.369 23.000 -8.697 1.00 0.00 H new ATOM 0 HA ASP A 56 15.437 22.741 -10.753 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.182 23.908 -10.962 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.828 25.152 -9.910 1.00 0.00 H new ATOM 832 N VAL A 57 17.317 24.147 -9.799 1.00 0.00 N ATOM 833 CA VAL A 57 18.495 24.668 -9.114 1.00 0.00 C ATOM 834 C VAL A 57 18.431 26.189 -8.978 1.00 0.00 C ATOM 835 O VAL A 57 19.216 26.777 -8.237 1.00 0.00 O ATOM 836 CB VAL A 57 19.761 24.217 -9.855 1.00 0.00 C ATOM 837 CG1 VAL A 57 21.031 24.659 -9.127 1.00 0.00 C ATOM 838 CG2 VAL A 57 19.783 22.689 -9.946 1.00 0.00 C ATOM 0 H VAL A 57 17.470 23.919 -10.781 1.00 0.00 H new ATOM 0 HA VAL A 57 18.524 24.265 -8.102 1.00 0.00 H new ATOM 0 HB VAL A 57 19.739 24.674 -10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.905 24.321 -9.683 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.047 25.746 -9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.047 24.226 -8.127 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.682 22.369 -10.472 1.00 0.00 H new ATOM 0 HG22 VAL A 57 19.780 22.265 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.903 22.344 -10.489 1.00 0.00 H new ATOM 848 N ASN A 58 17.499 26.838 -9.681 1.00 0.00 N ATOM 849 CA ASN A 58 17.351 28.282 -9.643 1.00 0.00 C ATOM 850 C ASN A 58 15.938 28.678 -9.216 1.00 0.00 C ATOM 851 O ASN A 58 14.981 27.931 -9.415 1.00 0.00 O ATOM 852 CB ASN A 58 17.699 28.867 -11.016 1.00 0.00 C ATOM 853 CG ASN A 58 19.172 28.701 -11.369 1.00 0.00 C ATOM 854 OD1 ASN A 58 20.012 28.460 -10.507 1.00 0.00 O ATOM 855 ND2 ASN A 58 19.496 28.833 -12.654 1.00 0.00 N ATOM 0 H ASN A 58 16.829 26.370 -10.291 1.00 0.00 H new ATOM 0 HA ASN A 58 18.038 28.690 -8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.090 28.381 -11.778 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.443 29.926 -11.031 1.00 0.00 H new ATOM 0 HD21 ASN A 58 20.468 28.734 -12.948 1.00 0.00 H new ATOM 0 HD22 ASN A 58 18.772 29.033 -13.344 1.00 0.00 H new ATOM 862 N LEU A 59 15.825 29.869 -8.626 1.00 0.00 N ATOM 863 CA LEU A 59 14.559 30.444 -8.188 1.00 0.00 C ATOM 864 C LEU A 59 14.699 31.965 -8.214 1.00 0.00 C ATOM 865 O LEU A 59 15.758 32.489 -7.867 1.00 0.00 O ATOM 866 CB LEU A 59 14.238 29.941 -6.777 1.00 0.00 C ATOM 867 CG LEU A 59 12.894 30.460 -6.252 1.00 0.00 C ATOM 868 CD1 LEU A 59 11.731 29.976 -7.117 1.00 0.00 C ATOM 869 CD2 LEU A 59 12.685 29.947 -4.831 1.00 0.00 C ATOM 0 H LEU A 59 16.628 30.469 -8.437 1.00 0.00 H new ATOM 0 HA LEU A 59 13.742 30.147 -8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.226 28.851 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.032 30.249 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 59 12.918 31.549 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.794 30.362 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.864 30.333 -8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.705 28.886 -7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.731 30.311 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.682 28.857 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.492 30.306 -4.192 1.00 0.00 H new ATOM 881 N ARG A 60 13.647 32.679 -8.620 1.00 0.00 N ATOM 882 CA ARG A 60 13.703 34.132 -8.704 1.00 0.00 C ATOM 883 C ARG A 60 13.463 34.767 -7.338 1.00 0.00 C ATOM 884 O ARG A 60 12.524 34.396 -6.634 1.00 0.00 O ATOM 885 CB ARG A 60 12.730 34.630 -9.777 1.00 0.00 C ATOM 886 CG ARG A 60 11.271 34.419 -9.375 1.00 0.00 C ATOM 887 CD ARG A 60 10.367 34.656 -10.583 1.00 0.00 C ATOM 888 NE ARG A 60 8.953 34.628 -10.197 1.00 0.00 N ATOM 889 CZ ARG A 60 8.257 33.513 -9.949 1.00 0.00 C ATOM 890 NH1 ARG A 60 8.808 32.308 -10.060 1.00 0.00 N ATOM 891 NH2 ARG A 60 6.982 33.600 -9.585 1.00 0.00 N ATOM 0 H ARG A 60 12.752 32.273 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 60 14.703 34.440 -9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.905 35.690 -9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.926 34.108 -10.714 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.130 33.407 -8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.003 35.101 -8.568 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.605 35.619 -11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.556 33.893 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 60 8.466 35.520 -10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.785 32.218 -10.340 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.254 31.474 -9.865 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.538 34.514 -9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.447 32.753 -9.395 1.00 0.00 H new ATOM 905 N GLY A 61 14.316 35.725 -6.972 1.00 0.00 N ATOM 906 CA GLY A 61 14.253 36.409 -5.689 1.00 0.00 C ATOM 907 C GLY A 61 14.586 35.478 -4.523 1.00 0.00 C ATOM 908 O GLY A 61 14.619 34.256 -4.673 1.00 0.00 O ATOM 0 H GLY A 61 15.077 36.048 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.948 37.248 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.254 36.823 -5.548 1.00 0.00 H new ATOM 912 N GLY A 62 14.837 36.067 -3.351 1.00 0.00 N ATOM 913 CA GLY A 62 15.107 35.318 -2.133 1.00 0.00 C ATOM 914 C GLY A 62 16.349 34.434 -2.253 1.00 0.00 C ATOM 915 O GLY A 62 17.223 34.675 -3.085 1.00 0.00 O ATOM 0 H GLY A 62 14.857 37.079 -3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.239 36.014 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.244 34.696 -1.894 1.00 0.00 H new ATOM 919 N GLU A 63 16.418 33.404 -1.404 1.00 0.00 N ATOM 920 CA GLU A 63 17.505 32.437 -1.404 1.00 0.00 C ATOM 921 C GLU A 63 17.213 31.317 -2.410 1.00 0.00 C ATOM 922 O GLU A 63 16.067 31.127 -2.819 1.00 0.00 O ATOM 923 CB GLU A 63 17.694 31.906 0.022 1.00 0.00 C ATOM 924 CG GLU A 63 18.949 31.043 0.158 1.00 0.00 C ATOM 925 CD GLU A 63 19.164 30.640 1.614 1.00 0.00 C ATOM 926 OE1 GLU A 63 19.884 31.385 2.316 1.00 0.00 O ATOM 927 OE2 GLU A 63 18.611 29.592 2.018 1.00 0.00 O ATOM 0 H GLU A 63 15.710 33.222 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 63 18.437 32.908 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 63 17.756 32.745 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.820 31.320 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.854 30.152 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.817 31.593 -0.205 1.00 0.00 H new ATOM 934 N LYS A 64 18.248 30.573 -2.812 1.00 0.00 N ATOM 935 CA LYS A 64 18.115 29.477 -3.764 1.00 0.00 C ATOM 936 C LYS A 64 17.205 28.377 -3.214 1.00 0.00 C ATOM 937 O LYS A 64 16.649 27.601 -3.987 1.00 0.00 O ATOM 938 CB LYS A 64 19.519 28.954 -4.085 1.00 0.00 C ATOM 939 CG LYS A 64 19.470 27.856 -5.150 1.00 0.00 C ATOM 940 CD LYS A 64 20.878 27.384 -5.530 1.00 0.00 C ATOM 941 CE LYS A 64 21.686 28.476 -6.236 1.00 0.00 C ATOM 942 NZ LYS A 64 21.044 28.884 -7.501 1.00 0.00 N ATOM 0 H LYS A 64 19.202 30.718 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 64 17.644 29.829 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.145 29.775 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.981 28.564 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 64 18.889 27.012 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 64 18.958 28.229 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 64 21.407 27.067 -4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 64 20.803 26.512 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.784 29.341 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.694 28.113 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.771 29.016 -8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.377 28.147 -7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.531 29.777 -7.358 1.00 0.00 H new ATOM 956 N SER A 65 17.052 28.316 -1.887 1.00 0.00 N ATOM 957 CA SER A 65 16.164 27.401 -1.178 1.00 0.00 C ATOM 958 C SER A 65 16.339 25.919 -1.532 1.00 0.00 C ATOM 959 O SER A 65 15.410 25.134 -1.350 1.00 0.00 O ATOM 960 CB SER A 65 14.706 27.865 -1.281 1.00 0.00 C ATOM 961 OG SER A 65 14.202 27.694 -2.591 1.00 0.00 O ATOM 0 H SER A 65 17.567 28.930 -1.256 1.00 0.00 H new ATOM 0 HA SER A 65 16.468 27.450 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.093 27.302 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.636 28.915 -0.996 1.00 0.00 H new ATOM 0 HG SER A 65 14.940 27.483 -3.201 1.00 0.00 H new ATOM 967 N THR A 66 17.513 25.523 -2.035 1.00 0.00 N ATOM 968 CA THR A 66 17.816 24.119 -2.306 1.00 0.00 C ATOM 969 C THR A 66 18.494 23.391 -1.140 1.00 0.00 C ATOM 970 O THR A 66 18.371 22.168 -1.071 1.00 0.00 O ATOM 971 CB THR A 66 18.686 23.994 -3.560 1.00 0.00 C ATOM 972 OG1 THR A 66 19.801 24.856 -3.467 1.00 0.00 O ATOM 973 CG2 THR A 66 17.884 24.335 -4.813 1.00 0.00 C ATOM 0 H THR A 66 18.273 26.164 -2.263 1.00 0.00 H new ATOM 0 HA THR A 66 16.852 23.634 -2.459 1.00 0.00 H new ATOM 0 HB THR A 66 19.029 22.962 -3.632 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.351 24.767 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.523 24.239 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.040 23.651 -4.902 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.516 25.358 -4.742 1.00 0.00 H new ATOM 981 N PRO A 67 19.204 24.060 -0.214 1.00 0.00 N ATOM 982 CA PRO A 67 19.839 23.391 0.916 1.00 0.00 C ATOM 983 C PRO A 67 18.868 22.604 1.798 1.00 0.00 C ATOM 984 O PRO A 67 19.299 21.735 2.554 1.00 0.00 O ATOM 985 CB PRO A 67 20.502 24.506 1.727 1.00 0.00 C ATOM 986 CG PRO A 67 20.742 25.606 0.697 1.00 0.00 C ATOM 987 CD PRO A 67 19.511 25.480 -0.188 1.00 0.00 C ATOM 0 HA PRO A 67 20.544 22.646 0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 67 19.859 24.849 2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 67 21.435 24.171 2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 67 20.814 26.590 1.160 1.00 0.00 H new ATOM 0 HG3 PRO A 67 21.665 25.448 0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 67 18.677 26.056 0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.707 25.859 -1.191 1.00 0.00 H new ATOM 995 N VAL A 68 17.563 22.894 1.713 1.00 0.00 N ATOM 996 CA VAL A 68 16.561 22.218 2.531 1.00 0.00 C ATOM 997 C VAL A 68 16.152 20.876 1.935 1.00 0.00 C ATOM 998 O VAL A 68 15.453 20.098 2.586 1.00 0.00 O ATOM 999 CB VAL A 68 15.339 23.117 2.757 1.00 0.00 C ATOM 1000 CG1 VAL A 68 15.763 24.421 3.429 1.00 0.00 C ATOM 1001 CG2 VAL A 68 14.639 23.436 1.438 1.00 0.00 C ATOM 0 H VAL A 68 17.180 23.597 1.081 1.00 0.00 H new ATOM 0 HA VAL A 68 17.017 22.015 3.500 1.00 0.00 H new ATOM 0 HB VAL A 68 14.644 22.579 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.888 25.052 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.227 24.201 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.477 24.943 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.777 24.075 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.332 23.952 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.308 22.510 0.969 1.00 0.00 H new ATOM 1011 N ALA A 69 16.574 20.585 0.701 1.00 0.00 N ATOM 1012 CA ALA A 69 16.237 19.322 0.065 1.00 0.00 C ATOM 1013 C ALA A 69 16.847 18.154 0.840 1.00 0.00 C ATOM 1014 O ALA A 69 16.321 17.046 0.798 1.00 0.00 O ATOM 1015 CB ALA A 69 16.743 19.350 -1.376 1.00 0.00 C ATOM 0 H ALA A 69 17.146 21.208 0.131 1.00 0.00 H new ATOM 0 HA ALA A 69 15.156 19.184 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.497 18.408 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.269 20.173 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.824 19.489 -1.379 1.00 0.00 H new ATOM 1021 N GLU A 70 17.952 18.393 1.552 1.00 0.00 N ATOM 1022 CA GLU A 70 18.608 17.352 2.325 1.00 0.00 C ATOM 1023 C GLU A 70 17.821 17.050 3.600 1.00 0.00 C ATOM 1024 O GLU A 70 18.013 16.000 4.211 1.00 0.00 O ATOM 1025 CB GLU A 70 20.045 17.771 2.634 1.00 0.00 C ATOM 1026 CG GLU A 70 20.812 17.957 1.327 1.00 0.00 C ATOM 1027 CD GLU A 70 22.269 18.335 1.583 1.00 0.00 C ATOM 1028 OE1 GLU A 70 23.150 17.505 1.270 1.00 0.00 O ATOM 1029 OE2 GLU A 70 22.489 19.456 2.086 1.00 0.00 O ATOM 0 H GLU A 70 18.407 19.304 1.605 1.00 0.00 H new ATOM 0 HA GLU A 70 18.638 16.433 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 70 20.050 18.699 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 70 20.532 17.014 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.771 17.036 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 70 20.333 18.733 0.730 1.00 0.00 H new ATOM 1036 N ALA A 71 16.929 17.960 4.006 1.00 0.00 N ATOM 1037 CA ALA A 71 16.041 17.718 5.132 1.00 0.00 C ATOM 1038 C ALA A 71 14.860 16.870 4.663 1.00 0.00 C ATOM 1039 O ALA A 71 14.255 16.155 5.462 1.00 0.00 O ATOM 1040 CB ALA A 71 15.578 19.049 5.719 1.00 0.00 C ATOM 0 H ALA A 71 16.808 18.872 3.565 1.00 0.00 H new ATOM 0 HA ALA A 71 16.566 17.174 5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.913 18.863 6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 71 16.444 19.618 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 71 15.046 19.618 4.956 1.00 0.00 H new ATOM 1046 N LEU A 72 14.529 16.939 3.368 1.00 0.00 N ATOM 1047 CA LEU A 72 13.506 16.076 2.797 1.00 0.00 C ATOM 1048 C LEU A 72 14.064 14.663 2.645 1.00 0.00 C ATOM 1049 O LEU A 72 13.314 13.691 2.730 1.00 0.00 O ATOM 1050 CB LEU A 72 13.044 16.625 1.442 1.00 0.00 C ATOM 1051 CG LEU A 72 12.462 18.040 1.542 1.00 0.00 C ATOM 1052 CD1 LEU A 72 12.027 18.498 0.152 1.00 0.00 C ATOM 1053 CD2 LEU A 72 11.250 18.085 2.470 1.00 0.00 C ATOM 0 H LEU A 72 14.957 17.584 2.703 1.00 0.00 H new ATOM 0 HA LEU A 72 12.643 16.047 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.887 16.632 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.293 15.957 1.021 1.00 0.00 H new ATOM 0 HG LEU A 72 13.233 18.695 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.612 19.504 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.888 18.501 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.270 17.816 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.865 19.104 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.475 17.421 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.544 17.763 3.469 1.00 0.00 H new ATOM 1065 N ALA A 73 15.379 14.538 2.431 1.00 0.00 N ATOM 1066 CA ALA A 73 16.028 13.236 2.369 1.00 0.00 C ATOM 1067 C ALA A 73 16.114 12.630 3.769 1.00 0.00 C ATOM 1068 O ALA A 73 16.199 11.410 3.906 1.00 0.00 O ATOM 1069 CB ALA A 73 17.414 13.385 1.740 1.00 0.00 C ATOM 0 H ALA A 73 16.010 15.328 2.298 1.00 0.00 H new ATOM 0 HA ALA A 73 15.441 12.560 1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.899 12.410 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.315 13.789 0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.017 14.062 2.345 1.00 0.00 H new ATOM 1075 N ALA A 74 16.092 13.474 4.806 1.00 0.00 N ATOM 1076 CA ALA A 74 16.017 13.013 6.185 1.00 0.00 C ATOM 1077 C ALA A 74 14.564 12.702 6.556 1.00 0.00 C ATOM 1078 O ALA A 74 14.305 12.072 7.579 1.00 0.00 O ATOM 1079 CB ALA A 74 16.608 14.080 7.109 1.00 0.00 C ATOM 0 H ALA A 74 16.126 14.489 4.708 1.00 0.00 H new ATOM 0 HA ALA A 74 16.595 12.096 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.553 13.737 8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 74 17.649 14.258 6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.043 15.006 7.003 1.00 0.00 H new ATOM 1085 N ARG A 75 13.618 13.148 5.720 1.00 0.00 N ATOM 1086 CA ARG A 75 12.196 12.861 5.856 1.00 0.00 C ATOM 1087 C ARG A 75 11.815 11.660 4.986 1.00 0.00 C ATOM 1088 O ARG A 75 10.636 11.415 4.743 1.00 0.00 O ATOM 1089 CB ARG A 75 11.400 14.131 5.522 1.00 0.00 C ATOM 1090 CG ARG A 75 9.924 14.079 5.946 1.00 0.00 C ATOM 1091 CD ARG A 75 9.761 13.801 7.441 1.00 0.00 C ATOM 1092 NE ARG A 75 10.443 14.813 8.257 1.00 0.00 N ATOM 1093 CZ ARG A 75 10.618 14.716 9.577 1.00 0.00 C ATOM 1094 NH1 ARG A 75 10.168 13.659 10.248 1.00 0.00 N ATOM 1095 NH2 ARG A 75 11.251 15.681 10.238 1.00 0.00 N ATOM 0 H ARG A 75 13.832 13.733 4.912 1.00 0.00 H new ATOM 0 HA ARG A 75 11.953 12.582 6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.876 14.983 6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.452 14.307 4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.444 15.026 5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.411 13.304 5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.701 13.782 7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.162 12.815 7.674 1.00 0.00 H new ATOM 0 HE ARG A 75 10.806 15.642 7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.683 12.910 9.754 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.308 13.597 11.256 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.603 16.496 9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.384 15.606 11.246 1.00 0.00 H new ATOM 1109 N ASP A 76 12.817 10.907 4.518 1.00 0.00 N ATOM 1110 CA ASP A 76 12.640 9.734 3.668 1.00 0.00 C ATOM 1111 C ASP A 76 11.963 10.047 2.327 1.00 0.00 C ATOM 1112 O ASP A 76 11.246 9.209 1.778 1.00 0.00 O ATOM 1113 CB ASP A 76 11.963 8.608 4.459 1.00 0.00 C ATOM 1114 CG ASP A 76 12.033 7.267 3.733 1.00 0.00 C ATOM 1115 OD1 ASP A 76 13.135 6.928 3.244 1.00 0.00 O ATOM 1116 OD2 ASP A 76 10.984 6.587 3.671 1.00 0.00 O ATOM 0 H ASP A 76 13.795 11.105 4.727 1.00 0.00 H new ATOM 0 HA ASP A 76 13.629 9.379 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.439 8.516 5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.920 8.868 4.637 1.00 0.00 H new ATOM 1121 N ILE A 77 12.186 11.254 1.792 1.00 0.00 N ATOM 1122 CA ILE A 77 11.690 11.648 0.478 1.00 0.00 C ATOM 1123 C ILE A 77 12.878 12.059 -0.397 1.00 0.00 C ATOM 1124 O ILE A 77 13.475 13.109 -0.169 1.00 0.00 O ATOM 1125 CB ILE A 77 10.675 12.788 0.615 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.492 12.337 1.487 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.173 13.200 -0.775 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.470 13.455 1.685 1.00 0.00 C ATOM 0 H ILE A 77 12.719 11.984 2.265 1.00 0.00 H new ATOM 0 HA ILE A 77 11.178 10.810 0.005 1.00 0.00 H new ATOM 0 HB ILE A 77 11.158 13.642 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.006 11.479 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.862 12.007 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.451 14.011 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.015 13.536 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.696 12.347 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.651 13.093 2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.949 14.304 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.080 13.767 0.716 1.00 0.00 H new ATOM 1140 N PRO A 78 13.237 11.246 -1.402 1.00 0.00 N ATOM 1141 CA PRO A 78 14.343 11.520 -2.302 1.00 0.00 C ATOM 1142 C PRO A 78 13.987 12.627 -3.294 1.00 0.00 C ATOM 1143 O PRO A 78 12.816 12.952 -3.490 1.00 0.00 O ATOM 1144 CB PRO A 78 14.615 10.197 -3.013 1.00 0.00 C ATOM 1145 CG PRO A 78 13.231 9.557 -3.064 1.00 0.00 C ATOM 1146 CD PRO A 78 12.609 9.982 -1.738 1.00 0.00 C ATOM 0 HA PRO A 78 15.224 11.877 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.028 10.350 -4.010 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.327 9.581 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.652 9.915 -3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 78 13.291 8.472 -3.153 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.528 10.093 -1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.789 9.236 -0.963 1.00 0.00 H new ATOM 1154 N PHE A 79 15.014 13.205 -3.919 1.00 0.00 N ATOM 1155 CA PHE A 79 14.838 14.297 -4.863 1.00 0.00 C ATOM 1156 C PHE A 79 15.930 14.289 -5.927 1.00 0.00 C ATOM 1157 O PHE A 79 16.931 13.588 -5.795 1.00 0.00 O ATOM 1158 CB PHE A 79 14.856 15.624 -4.104 1.00 0.00 C ATOM 1159 CG PHE A 79 16.167 15.905 -3.403 1.00 0.00 C ATOM 1160 CD1 PHE A 79 16.369 15.452 -2.090 1.00 0.00 C ATOM 1161 CD2 PHE A 79 17.184 16.612 -4.058 1.00 0.00 C ATOM 1162 CE1 PHE A 79 17.587 15.700 -1.442 1.00 0.00 C ATOM 1163 CE2 PHE A 79 18.402 16.859 -3.410 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.601 16.407 -2.099 1.00 0.00 C ATOM 0 H PHE A 79 15.986 12.927 -3.782 1.00 0.00 H new ATOM 0 HA PHE A 79 13.880 14.171 -5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.646 16.435 -4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.053 15.622 -3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 79 15.586 14.912 -1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 79 17.029 16.968 -5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.743 15.345 -0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 79 19.187 17.397 -3.921 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.536 16.604 -1.596 1.00 0.00 H new ATOM 1174 N VAL A 80 15.726 15.080 -6.985 1.00 0.00 N ATOM 1175 CA VAL A 80 16.679 15.222 -8.079 1.00 0.00 C ATOM 1176 C VAL A 80 16.732 16.687 -8.501 1.00 0.00 C ATOM 1177 O VAL A 80 15.711 17.374 -8.468 1.00 0.00 O ATOM 1178 CB VAL A 80 16.266 14.325 -9.255 1.00 0.00 C ATOM 1179 CG1 VAL A 80 17.293 14.407 -10.382 1.00 0.00 C ATOM 1180 CG2 VAL A 80 16.162 12.861 -8.826 1.00 0.00 C ATOM 0 H VAL A 80 14.884 15.644 -7.103 1.00 0.00 H new ATOM 0 HA VAL A 80 17.671 14.910 -7.753 1.00 0.00 H new ATOM 0 HB VAL A 80 15.294 14.681 -9.598 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.982 13.764 -11.205 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.367 15.436 -10.733 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.265 14.079 -10.013 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.868 12.251 -9.680 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.128 12.521 -8.454 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.415 12.765 -8.038 1.00 0.00 H new ATOM 1190 N PHE A 81 17.912 17.172 -8.900 1.00 0.00 N ATOM 1191 CA PHE A 81 18.068 18.545 -9.368 1.00 0.00 C ATOM 1192 C PHE A 81 17.774 18.625 -10.863 1.00 0.00 C ATOM 1193 O PHE A 81 17.946 17.646 -11.586 1.00 0.00 O ATOM 1194 CB PHE A 81 19.492 19.036 -9.101 1.00 0.00 C ATOM 1195 CG PHE A 81 19.897 19.145 -7.644 1.00 0.00 C ATOM 1196 CD1 PHE A 81 21.168 18.705 -7.243 1.00 0.00 C ATOM 1197 CD2 PHE A 81 19.022 19.698 -6.697 1.00 0.00 C ATOM 1198 CE1 PHE A 81 21.562 18.808 -5.902 1.00 0.00 C ATOM 1199 CE2 PHE A 81 19.414 19.799 -5.354 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.685 19.356 -4.956 1.00 0.00 C ATOM 0 H PHE A 81 18.775 16.628 -8.907 1.00 0.00 H new ATOM 0 HA PHE A 81 17.364 19.178 -8.828 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.187 18.361 -9.601 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.610 20.016 -9.564 1.00 0.00 H new ATOM 0 HD1 PHE A 81 21.846 18.285 -7.971 1.00 0.00 H new ATOM 0 HD2 PHE A 81 18.046 20.046 -7.002 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.540 18.466 -5.598 1.00 0.00 H new ATOM 0 HE2 PHE A 81 18.737 20.218 -4.625 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.987 19.437 -3.922 1.00 0.00 H new ATOM 1210 N ALA A 82 17.334 19.794 -11.337 1.00 0.00 N ATOM 1211 CA ALA A 82 17.084 20.019 -12.752 1.00 0.00 C ATOM 1212 C ALA A 82 17.492 21.442 -13.136 1.00 0.00 C ATOM 1213 O ALA A 82 16.992 22.409 -12.562 1.00 0.00 O ATOM 1214 CB ALA A 82 15.605 19.765 -13.051 1.00 0.00 C ATOM 0 H ALA A 82 17.143 20.605 -10.748 1.00 0.00 H new ATOM 0 HA ALA A 82 17.681 19.329 -13.348 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.414 19.933 -14.111 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.354 18.736 -12.796 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.992 20.445 -12.460 1.00 0.00 H new ATOM 1220 N THR A 83 18.401 21.568 -14.107 1.00 0.00 N ATOM 1221 CA THR A 83 18.863 22.866 -14.593 1.00 0.00 C ATOM 1222 C THR A 83 19.640 22.701 -15.896 1.00 0.00 C ATOM 1223 O THR A 83 20.100 21.606 -16.212 1.00 0.00 O ATOM 1224 CB THR A 83 19.745 23.530 -13.531 1.00 0.00 C ATOM 1225 OG1 THR A 83 20.055 24.852 -13.914 1.00 0.00 O ATOM 1226 CG2 THR A 83 21.046 22.763 -13.305 1.00 0.00 C ATOM 0 H THR A 83 18.835 20.773 -14.576 1.00 0.00 H new ATOM 0 HA THR A 83 17.998 23.500 -14.787 1.00 0.00 H new ATOM 0 HB THR A 83 19.179 23.529 -12.599 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.618 25.268 -13.228 1.00 0.00 H new ATOM 0 HG21 THR A 83 21.640 23.270 -12.544 1.00 0.00 H new ATOM 0 HG22 THR A 83 20.818 21.750 -12.973 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.610 22.721 -14.237 1.00 0.00 H new ATOM 1234 N GLY A 84 19.791 23.787 -16.657 1.00 0.00 N ATOM 1235 CA GLY A 84 20.618 23.794 -17.854 1.00 0.00 C ATOM 1236 C GLY A 84 22.044 24.200 -17.498 1.00 0.00 C ATOM 1237 O GLY A 84 22.248 25.165 -16.761 1.00 0.00 O ATOM 0 H GLY A 84 19.343 24.681 -16.457 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.616 22.806 -18.313 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.206 24.487 -18.587 1.00 0.00 H new ATOM 1241 N GLY A 85 23.036 23.469 -18.014 1.00 0.00 N ATOM 1242 CA GLY A 85 24.433 23.750 -17.724 1.00 0.00 C ATOM 1243 C GLY A 85 25.284 22.485 -17.788 1.00 0.00 C ATOM 1244 O GLY A 85 24.925 21.519 -18.460 1.00 0.00 O ATOM 0 H GLY A 85 22.890 22.675 -18.637 1.00 0.00 H new ATOM 0 HA2 GLY A 85 24.813 24.482 -18.437 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.517 24.196 -16.733 1.00 0.00 H new ATOM 1248 N SER A 86 26.413 22.507 -17.078 1.00 0.00 N ATOM 1249 CA SER A 86 27.360 21.400 -17.021 1.00 0.00 C ATOM 1250 C SER A 86 27.750 21.118 -15.573 1.00 0.00 C ATOM 1251 O SER A 86 27.413 21.883 -14.670 1.00 0.00 O ATOM 1252 CB SER A 86 28.591 21.732 -17.866 1.00 0.00 C ATOM 1253 OG SER A 86 28.213 21.927 -19.213 1.00 0.00 O ATOM 0 H SER A 86 26.697 23.311 -16.518 1.00 0.00 H new ATOM 0 HA SER A 86 26.894 20.502 -17.426 1.00 0.00 H new ATOM 0 HB2 SER A 86 29.075 22.630 -17.482 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.319 20.923 -17.797 1.00 0.00 H new ATOM 0 HG SER A 86 29.006 22.141 -19.748 1.00 0.00 H new ATOM 1259 N ASP A 87 28.469 20.019 -15.339 1.00 0.00 N ATOM 1260 CA ASP A 87 28.835 19.591 -13.992 1.00 0.00 C ATOM 1261 C ASP A 87 29.838 20.535 -13.328 1.00 0.00 C ATOM 1262 O ASP A 87 30.093 20.410 -12.130 1.00 0.00 O ATOM 1263 CB ASP A 87 29.398 18.172 -14.051 1.00 0.00 C ATOM 1264 CG ASP A 87 28.368 17.191 -14.609 1.00 0.00 C ATOM 1265 OD1 ASP A 87 27.541 16.703 -13.805 1.00 0.00 O ATOM 1266 OD2 ASP A 87 28.420 16.934 -15.832 1.00 0.00 O ATOM 0 H ASP A 87 28.812 19.404 -16.077 1.00 0.00 H new ATOM 0 HA ASP A 87 27.934 19.612 -13.379 1.00 0.00 H new ATOM 0 HB2 ASP A 87 30.292 18.158 -14.675 1.00 0.00 H new ATOM 0 HB3 ASP A 87 29.701 17.856 -13.053 1.00 0.00 H new ATOM 1271 N ASP A 88 30.410 21.476 -14.085 1.00 0.00 N ATOM 1272 CA ASP A 88 31.341 22.459 -13.551 1.00 0.00 C ATOM 1273 C ASP A 88 30.626 23.761 -13.185 1.00 0.00 C ATOM 1274 O ASP A 88 31.265 24.721 -12.761 1.00 0.00 O ATOM 1275 CB ASP A 88 32.475 22.691 -14.555 1.00 0.00 C ATOM 1276 CG ASP A 88 31.964 23.282 -15.867 1.00 0.00 C ATOM 1277 OD1 ASP A 88 31.442 22.491 -16.686 1.00 0.00 O ATOM 1278 OD2 ASP A 88 32.099 24.511 -16.045 1.00 0.00 O ATOM 0 H ASP A 88 30.237 21.573 -15.085 1.00 0.00 H new ATOM 0 HA ASP A 88 31.774 22.073 -12.628 1.00 0.00 H new ATOM 0 HB2 ASP A 88 33.214 23.362 -14.118 1.00 0.00 H new ATOM 0 HB3 ASP A 88 32.981 21.747 -14.755 1.00 0.00 H new ATOM 1283 N SER A 89 29.300 23.799 -13.345 1.00 0.00 N ATOM 1284 CA SER A 89 28.482 24.967 -13.024 1.00 0.00 C ATOM 1285 C SER A 89 27.746 24.776 -11.698 1.00 0.00 C ATOM 1286 O SER A 89 26.903 25.596 -11.338 1.00 0.00 O ATOM 1287 CB SER A 89 27.497 25.243 -14.161 1.00 0.00 C ATOM 1288 OG SER A 89 28.198 25.457 -15.366 1.00 0.00 O ATOM 0 H SER A 89 28.761 23.011 -13.705 1.00 0.00 H new ATOM 0 HA SER A 89 29.139 25.830 -12.913 1.00 0.00 H new ATOM 0 HB2 SER A 89 26.813 24.401 -14.273 1.00 0.00 H new ATOM 0 HB3 SER A 89 26.890 26.117 -13.923 1.00 0.00 H new ATOM 0 HG SER A 89 27.560 25.631 -16.089 1.00 0.00 H new ATOM 1294 N VAL A 90 28.060 23.697 -10.971 1.00 0.00 N ATOM 1295 CA VAL A 90 27.427 23.357 -9.702 1.00 0.00 C ATOM 1296 C VAL A 90 28.446 22.836 -8.691 1.00 0.00 C ATOM 1297 O VAL A 90 29.496 22.314 -9.065 1.00 0.00 O ATOM 1298 CB VAL A 90 26.315 22.321 -9.903 1.00 0.00 C ATOM 1299 CG1 VAL A 90 25.062 22.938 -10.521 1.00 0.00 C ATOM 1300 CG2 VAL A 90 26.785 21.145 -10.763 1.00 0.00 C ATOM 0 H VAL A 90 28.774 23.027 -11.258 1.00 0.00 H new ATOM 0 HA VAL A 90 26.988 24.273 -9.306 1.00 0.00 H new ATOM 0 HB VAL A 90 26.063 21.950 -8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 90 24.301 22.168 -10.645 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.682 23.722 -9.866 1.00 0.00 H new ATOM 0 HG13 VAL A 90 25.308 23.365 -11.493 1.00 0.00 H new ATOM 0 HG21 VAL A 90 25.969 20.433 -10.882 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.094 21.511 -11.742 1.00 0.00 H new ATOM 0 HG23 VAL A 90 27.628 20.653 -10.277 1.00 0.00 H new ATOM 1310 N ASP A 91 28.125 22.985 -7.405 1.00 0.00 N ATOM 1311 CA ASP A 91 28.970 22.555 -6.300 1.00 0.00 C ATOM 1312 C ASP A 91 28.993 21.027 -6.170 1.00 0.00 C ATOM 1313 O ASP A 91 28.212 20.323 -6.811 1.00 0.00 O ATOM 1314 CB ASP A 91 28.468 23.229 -5.022 1.00 0.00 C ATOM 1315 CG ASP A 91 29.350 22.918 -3.819 1.00 0.00 C ATOM 1316 OD1 ASP A 91 30.584 23.103 -3.940 1.00 0.00 O ATOM 1317 OD2 ASP A 91 28.784 22.496 -2.786 1.00 0.00 O ATOM 0 H ASP A 91 27.252 23.417 -7.101 1.00 0.00 H new ATOM 0 HA ASP A 91 30.001 22.855 -6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 91 28.431 24.308 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 91 27.449 22.901 -4.817 1.00 0.00 H new ATOM 1322 N SER A 92 29.890 20.500 -5.330 1.00 0.00 N ATOM 1323 CA SER A 92 30.090 19.063 -5.185 1.00 0.00 C ATOM 1324 C SER A 92 28.839 18.335 -4.690 1.00 0.00 C ATOM 1325 O SER A 92 28.738 17.120 -4.854 1.00 0.00 O ATOM 1326 CB SER A 92 31.254 18.817 -4.226 1.00 0.00 C ATOM 1327 OG SER A 92 30.954 19.355 -2.955 1.00 0.00 O ATOM 0 H SER A 92 30.496 21.063 -4.733 1.00 0.00 H new ATOM 0 HA SER A 92 30.314 18.659 -6.172 1.00 0.00 H new ATOM 0 HB2 SER A 92 31.446 17.747 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 92 32.162 19.274 -4.618 1.00 0.00 H new ATOM 0 HG SER A 92 31.704 19.192 -2.345 1.00 0.00 H new ATOM 1333 N ARG A 93 27.882 19.052 -4.087 1.00 0.00 N ATOM 1334 CA ARG A 93 26.631 18.450 -3.638 1.00 0.00 C ATOM 1335 C ARG A 93 25.753 18.070 -4.829 1.00 0.00 C ATOM 1336 O ARG A 93 24.911 17.180 -4.719 1.00 0.00 O ATOM 1337 CB ARG A 93 25.912 19.407 -2.678 1.00 0.00 C ATOM 1338 CG ARG A 93 25.586 20.741 -3.348 1.00 0.00 C ATOM 1339 CD ARG A 93 25.008 21.743 -2.349 1.00 0.00 C ATOM 1340 NE ARG A 93 23.619 21.419 -1.995 1.00 0.00 N ATOM 1341 CZ ARG A 93 23.240 20.825 -0.858 1.00 0.00 C ATOM 1342 NH1 ARG A 93 24.130 20.427 0.047 1.00 0.00 N ATOM 1343 NH2 ARG A 93 21.950 20.623 -0.613 1.00 0.00 N ATOM 0 H ARG A 93 27.956 20.052 -3.901 1.00 0.00 H new ATOM 0 HA ARG A 93 26.849 17.529 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 93 24.991 18.943 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 93 26.538 19.583 -1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 93 26.489 21.154 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 93 24.873 20.579 -4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 93 25.620 21.752 -1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 93 25.051 22.746 -2.774 1.00 0.00 H new ATOM 0 HE ARG A 93 22.891 21.665 -2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 93 25.126 20.573 -0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.817 19.976 0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 93 21.249 20.921 -1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 93 21.660 20.170 0.254 1.00 0.00 H new ATOM 1357 N PHE A 94 25.945 18.737 -5.971 1.00 0.00 N ATOM 1358 CA PHE A 94 25.228 18.411 -7.197 1.00 0.00 C ATOM 1359 C PHE A 94 26.003 17.357 -7.980 1.00 0.00 C ATOM 1360 O PHE A 94 25.442 16.686 -8.843 1.00 0.00 O ATOM 1361 CB PHE A 94 25.086 19.662 -8.058 1.00 0.00 C ATOM 1362 CG PHE A 94 24.377 20.829 -7.410 1.00 0.00 C ATOM 1363 CD1 PHE A 94 23.041 21.105 -7.729 1.00 0.00 C ATOM 1364 CD2 PHE A 94 25.058 21.652 -6.500 1.00 0.00 C ATOM 1365 CE1 PHE A 94 22.384 22.186 -7.132 1.00 0.00 C ATOM 1366 CE2 PHE A 94 24.405 22.741 -5.910 1.00 0.00 C ATOM 1367 CZ PHE A 94 23.064 23.006 -6.222 1.00 0.00 C ATOM 0 H PHE A 94 26.599 19.513 -6.067 1.00 0.00 H new ATOM 0 HA PHE A 94 24.241 18.027 -6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 94 26.082 19.988 -8.359 1.00 0.00 H new ATOM 0 HB3 PHE A 94 24.549 19.395 -8.968 1.00 0.00 H new ATOM 0 HD1 PHE A 94 22.517 20.481 -8.438 1.00 0.00 H new ATOM 0 HD2 PHE A 94 26.089 21.445 -6.254 1.00 0.00 H new ATOM 0 HE1 PHE A 94 21.351 22.389 -7.373 1.00 0.00 H new ATOM 0 HE2 PHE A 94 24.934 23.376 -5.215 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.556 23.841 -5.762 1.00 0.00 H new ATOM 1377 N ARG A 95 27.300 17.211 -7.684 1.00 0.00 N ATOM 1378 CA ARG A 95 28.149 16.211 -8.316 1.00 0.00 C ATOM 1379 C ARG A 95 28.099 14.884 -7.554 1.00 0.00 C ATOM 1380 O ARG A 95 28.638 13.886 -8.024 1.00 0.00 O ATOM 1381 CB ARG A 95 29.576 16.754 -8.426 1.00 0.00 C ATOM 1382 CG ARG A 95 29.583 18.073 -9.208 1.00 0.00 C ATOM 1383 CD ARG A 95 31.002 18.628 -9.341 1.00 0.00 C ATOM 1384 NE ARG A 95 31.853 17.750 -10.156 1.00 0.00 N ATOM 1385 CZ ARG A 95 33.014 18.125 -10.698 1.00 0.00 C ATOM 1386 NH1 ARG A 95 33.483 19.359 -10.519 1.00 0.00 N ATOM 1387 NH2 ARG A 95 33.717 17.260 -11.424 1.00 0.00 N ATOM 0 H ARG A 95 27.785 17.788 -6.997 1.00 0.00 H new ATOM 0 HA ARG A 95 27.779 16.007 -9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.991 16.911 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 95 30.213 16.024 -8.925 1.00 0.00 H new ATOM 0 HG2 ARG A 95 29.157 17.914 -10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.950 18.802 -8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 95 30.964 19.620 -9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.442 18.745 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 95 31.537 16.794 -10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 95 32.954 20.030 -9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 95 34.371 19.633 -10.939 1.00 0.00 H new ATOM 0 HH21 ARG A 95 33.369 16.312 -11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 95 34.604 17.545 -11.839 1.00 0.00 H new ATOM 1401 N ASP A 96 27.453 14.876 -6.383 1.00 0.00 N ATOM 1402 CA ASP A 96 27.262 13.674 -5.581 1.00 0.00 C ATOM 1403 C ASP A 96 25.796 13.235 -5.581 1.00 0.00 C ATOM 1404 O ASP A 96 25.494 12.089 -5.251 1.00 0.00 O ATOM 1405 CB ASP A 96 27.767 13.949 -4.164 1.00 0.00 C ATOM 1406 CG ASP A 96 27.714 12.701 -3.291 1.00 0.00 C ATOM 1407 OD1 ASP A 96 28.473 11.752 -3.596 1.00 0.00 O ATOM 1408 OD2 ASP A 96 26.916 12.703 -2.327 1.00 0.00 O ATOM 0 H ASP A 96 27.046 15.714 -5.966 1.00 0.00 H new ATOM 0 HA ASP A 96 27.832 12.851 -6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.792 14.318 -4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 96 27.165 14.736 -3.710 1.00 0.00 H new ATOM 1413 N ARG A 97 24.884 14.143 -5.951 1.00 0.00 N ATOM 1414 CA ARG A 97 23.460 13.848 -6.085 1.00 0.00 C ATOM 1415 C ARG A 97 23.090 13.812 -7.570 1.00 0.00 C ATOM 1416 O ARG A 97 23.803 14.391 -8.389 1.00 0.00 O ATOM 1417 CB ARG A 97 22.653 14.900 -5.315 1.00 0.00 C ATOM 1418 CG ARG A 97 22.969 14.823 -3.820 1.00 0.00 C ATOM 1419 CD ARG A 97 22.116 15.831 -3.054 1.00 0.00 C ATOM 1420 NE ARG A 97 22.427 15.812 -1.620 1.00 0.00 N ATOM 1421 CZ ARG A 97 22.048 14.854 -0.769 1.00 0.00 C ATOM 1422 NH1 ARG A 97 21.334 13.811 -1.188 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.382 14.940 0.515 1.00 0.00 N ATOM 0 H ARG A 97 25.121 15.111 -6.167 1.00 0.00 H new ATOM 0 HA ARG A 97 23.226 12.872 -5.660 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.887 15.895 -5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 97 21.587 14.740 -5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 97 22.776 13.816 -3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 97 24.027 15.027 -3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 97 22.286 16.831 -3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 97 21.060 15.604 -3.202 1.00 0.00 H new ATOM 0 HE ARG A 97 22.973 16.588 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 97 21.069 13.736 -2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.052 13.087 -0.527 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.926 15.736 0.848 1.00 0.00 H new ATOM 0 HH22 ARG A 97 22.094 14.210 1.167 1.00 0.00 H new ATOM 1437 N PRO A 98 21.989 13.144 -7.940 1.00 0.00 N ATOM 1438 CA PRO A 98 21.548 13.041 -9.322 1.00 0.00 C ATOM 1439 C PRO A 98 21.121 14.402 -9.880 1.00 0.00 C ATOM 1440 O PRO A 98 20.683 15.279 -9.135 1.00 0.00 O ATOM 1441 CB PRO A 98 20.386 12.048 -9.304 1.00 0.00 C ATOM 1442 CG PRO A 98 19.827 12.194 -7.891 1.00 0.00 C ATOM 1443 CD PRO A 98 21.086 12.429 -7.058 1.00 0.00 C ATOM 0 HA PRO A 98 22.352 12.702 -9.975 1.00 0.00 H new ATOM 0 HB2 PRO A 98 19.639 12.289 -10.060 1.00 0.00 H new ATOM 0 HB3 PRO A 98 20.723 11.030 -9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 98 19.129 13.028 -7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 98 19.291 11.300 -7.573 1.00 0.00 H new ATOM 0 HD2 PRO A 98 20.865 13.011 -6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 98 21.522 11.487 -6.726 1.00 0.00 H new ATOM 1451 N VAL A 99 21.256 14.565 -11.200 1.00 0.00 N ATOM 1452 CA VAL A 99 20.964 15.810 -11.901 1.00 0.00 C ATOM 1453 C VAL A 99 20.265 15.527 -13.227 1.00 0.00 C ATOM 1454 O VAL A 99 20.418 14.448 -13.800 1.00 0.00 O ATOM 1455 CB VAL A 99 22.238 16.628 -12.141 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.872 17.048 -10.814 1.00 0.00 C ATOM 1457 CG2 VAL A 99 23.269 15.841 -12.954 1.00 0.00 C ATOM 0 H VAL A 99 21.577 13.820 -11.818 1.00 0.00 H new ATOM 0 HA VAL A 99 20.299 16.397 -11.268 1.00 0.00 H new ATOM 0 HB VAL A 99 21.944 17.513 -12.705 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.775 17.627 -11.009 1.00 0.00 H new ATOM 0 HG12 VAL A 99 22.165 17.656 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL A 99 23.129 16.160 -10.236 1.00 0.00 H new ATOM 0 HG21 VAL A 99 24.158 16.453 -13.104 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.540 14.933 -12.416 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.844 15.576 -13.922 1.00 0.00 H new ATOM 1467 N LEU A 100 19.494 16.503 -13.712 1.00 0.00 N ATOM 1468 CA LEU A 100 18.768 16.405 -14.968 1.00 0.00 C ATOM 1469 C LEU A 100 18.855 17.733 -15.725 1.00 0.00 C ATOM 1470 O LEU A 100 19.050 18.785 -15.121 1.00 0.00 O ATOM 1471 CB LEU A 100 17.318 16.016 -14.654 1.00 0.00 C ATOM 1472 CG LEU A 100 16.455 15.792 -15.902 1.00 0.00 C ATOM 1473 CD1 LEU A 100 17.034 14.694 -16.793 1.00 0.00 C ATOM 1474 CD2 LEU A 100 15.053 15.378 -15.464 1.00 0.00 C ATOM 0 H LEU A 100 19.359 17.393 -13.233 1.00 0.00 H new ATOM 0 HA LEU A 100 19.204 15.641 -15.612 1.00 0.00 H new ATOM 0 HB2 LEU A 100 17.317 15.106 -14.055 1.00 0.00 H new ATOM 0 HB3 LEU A 100 16.865 16.799 -14.046 1.00 0.00 H new ATOM 0 HG LEU A 100 16.430 16.721 -16.472 1.00 0.00 H new ATOM 0 HD11 LEU A 100 16.397 14.562 -17.668 1.00 0.00 H new ATOM 0 HD12 LEU A 100 18.037 14.976 -17.113 1.00 0.00 H new ATOM 0 HD13 LEU A 100 17.081 13.759 -16.234 1.00 0.00 H new ATOM 0 HD21 LEU A 100 14.430 15.216 -16.344 1.00 0.00 H new ATOM 0 HD22 LEU A 100 15.110 14.456 -14.885 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.616 16.166 -14.850 1.00 0.00 H new ATOM 1486 N GLN A 101 18.711 17.683 -17.053 1.00 0.00 N ATOM 1487 CA GLN A 101 18.770 18.868 -17.896 1.00 0.00 C ATOM 1488 C GLN A 101 17.445 19.631 -17.852 1.00 0.00 C ATOM 1489 O GLN A 101 16.423 19.083 -17.434 1.00 0.00 O ATOM 1490 CB GLN A 101 19.131 18.462 -19.325 1.00 0.00 C ATOM 1491 CG GLN A 101 20.515 17.810 -19.372 1.00 0.00 C ATOM 1492 CD GLN A 101 20.935 17.468 -20.797 1.00 0.00 C ATOM 1493 OE1 GLN A 101 20.212 17.730 -21.755 1.00 0.00 O ATOM 1494 NE2 GLN A 101 22.117 16.877 -20.955 1.00 0.00 N ATOM 0 H GLN A 101 18.551 16.817 -17.568 1.00 0.00 H new ATOM 0 HA GLN A 101 19.543 19.538 -17.519 1.00 0.00 H new ATOM 0 HB2 GLN A 101 18.384 17.768 -19.710 1.00 0.00 H new ATOM 0 HB3 GLN A 101 19.115 19.339 -19.972 1.00 0.00 H new ATOM 0 HG2 GLN A 101 21.249 18.484 -18.929 1.00 0.00 H new ATOM 0 HG3 GLN A 101 20.510 16.903 -18.768 1.00 0.00 H new ATOM 0 HE21 GLN A 101 22.697 16.671 -20.142 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.443 16.630 -21.889 1.00 0.00 H new ATOM 1503 N LYS A 102 17.457 20.897 -18.281 1.00 0.00 N ATOM 1504 CA LYS A 102 16.264 21.733 -18.270 1.00 0.00 C ATOM 1505 C LYS A 102 15.321 21.429 -19.440 1.00 0.00 C ATOM 1506 O LYS A 102 14.124 21.277 -19.206 1.00 0.00 O ATOM 1507 CB LYS A 102 16.681 23.206 -18.228 1.00 0.00 C ATOM 1508 CG LYS A 102 15.495 24.159 -18.078 1.00 0.00 C ATOM 1509 CD LYS A 102 14.739 23.916 -16.772 1.00 0.00 C ATOM 1510 CE LYS A 102 13.697 25.016 -16.597 1.00 0.00 C ATOM 1511 NZ LYS A 102 12.935 24.846 -15.348 1.00 0.00 N ATOM 0 H LYS A 102 18.289 21.363 -18.642 1.00 0.00 H new ATOM 0 HA LYS A 102 15.689 21.504 -17.373 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.370 23.359 -17.398 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.223 23.451 -19.141 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.850 25.189 -18.107 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.816 24.031 -18.921 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.257 22.939 -16.791 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.431 23.914 -15.930 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.190 25.988 -16.594 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.013 25.008 -17.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.397 25.714 -15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.278 24.046 -15.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.592 24.658 -14.564 1.00 0.00 H new ATOM 1525 N PRO A 103 15.806 21.330 -20.692 1.00 0.00 N ATOM 1526 CA PRO A 103 14.965 20.963 -21.820 1.00 0.00 C ATOM 1527 C PRO A 103 14.643 19.471 -21.776 1.00 0.00 C ATOM 1528 O PRO A 103 15.477 18.663 -21.369 1.00 0.00 O ATOM 1529 CB PRO A 103 15.768 21.323 -23.066 1.00 0.00 C ATOM 1530 CG PRO A 103 17.207 21.113 -22.598 1.00 0.00 C ATOM 1531 CD PRO A 103 17.167 21.574 -21.140 1.00 0.00 C ATOM 0 HA PRO A 103 14.009 21.486 -21.807 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.517 20.681 -23.911 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.589 22.351 -23.382 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.511 20.070 -22.683 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.912 21.699 -23.187 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.885 21.021 -20.534 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.425 22.630 -21.055 1.00 0.00 H new ATOM 1539 N PHE A 104 13.431 19.108 -22.199 1.00 0.00 N ATOM 1540 CA PHE A 104 12.962 17.728 -22.177 1.00 0.00 C ATOM 1541 C PHE A 104 12.712 17.225 -23.599 1.00 0.00 C ATOM 1542 O PHE A 104 12.318 17.995 -24.474 1.00 0.00 O ATOM 1543 CB PHE A 104 11.679 17.624 -21.338 1.00 0.00 C ATOM 1544 CG PHE A 104 11.867 17.454 -19.842 1.00 0.00 C ATOM 1545 CD1 PHE A 104 12.953 18.037 -19.172 1.00 0.00 C ATOM 1546 CD2 PHE A 104 10.938 16.692 -19.117 1.00 0.00 C ATOM 1547 CE1 PHE A 104 13.122 17.842 -17.796 1.00 0.00 C ATOM 1548 CE2 PHE A 104 11.113 16.490 -17.742 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.204 17.068 -17.081 1.00 0.00 C ATOM 0 H PHE A 104 12.747 19.768 -22.567 1.00 0.00 H new ATOM 0 HA PHE A 104 13.731 17.103 -21.723 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.085 18.522 -21.508 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.096 16.781 -21.708 1.00 0.00 H new ATOM 0 HD1 PHE A 104 13.662 18.639 -19.720 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.086 16.260 -19.621 1.00 0.00 H new ATOM 0 HE1 PHE A 104 13.962 18.290 -17.287 1.00 0.00 H new ATOM 0 HE2 PHE A 104 10.406 15.888 -17.191 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.336 16.916 -16.020 1.00 0.00 H new ATOM 1559 N THR A 105 12.943 15.928 -23.821 1.00 0.00 N ATOM 1560 CA THR A 105 12.714 15.255 -25.096 1.00 0.00 C ATOM 1561 C THR A 105 12.221 13.838 -24.824 1.00 0.00 C ATOM 1562 O THR A 105 12.377 13.324 -23.718 1.00 0.00 O ATOM 1563 CB THR A 105 14.002 15.200 -25.924 1.00 0.00 C ATOM 1564 OG1 THR A 105 14.998 14.505 -25.205 1.00 0.00 O ATOM 1565 CG2 THR A 105 14.518 16.599 -26.256 1.00 0.00 C ATOM 0 H THR A 105 13.303 15.304 -23.099 1.00 0.00 H new ATOM 0 HA THR A 105 11.968 15.813 -25.662 1.00 0.00 H new ATOM 0 HB THR A 105 13.775 14.685 -26.857 1.00 0.00 H new ATOM 0 HG1 THR A 105 15.820 14.469 -25.737 1.00 0.00 H new ATOM 0 HG21 THR A 105 15.432 16.520 -26.844 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.764 17.138 -26.829 1.00 0.00 H new ATOM 0 HG23 THR A 105 14.726 17.139 -25.332 1.00 0.00 H new ATOM 1573 N MET A 106 11.622 13.189 -25.826 1.00 0.00 N ATOM 1574 CA MET A 106 11.061 11.859 -25.639 1.00 0.00 C ATOM 1575 C MET A 106 12.150 10.843 -25.293 1.00 0.00 C ATOM 1576 O MET A 106 11.890 9.890 -24.561 1.00 0.00 O ATOM 1577 CB MET A 106 10.315 11.426 -26.906 1.00 0.00 C ATOM 1578 CG MET A 106 9.037 12.240 -27.126 1.00 0.00 C ATOM 1579 SD MET A 106 9.290 13.986 -27.545 1.00 0.00 S ATOM 1580 CE MET A 106 7.562 14.522 -27.610 1.00 0.00 C ATOM 0 H MET A 106 11.516 13.565 -26.768 1.00 0.00 H new ATOM 0 HA MET A 106 10.361 11.897 -24.804 1.00 0.00 H new ATOM 0 HB2 MET A 106 10.970 11.540 -27.769 1.00 0.00 H new ATOM 0 HB3 MET A 106 10.063 10.368 -26.835 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.461 11.772 -27.924 1.00 0.00 H new ATOM 0 HG3 MET A 106 8.431 12.185 -26.222 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.519 15.583 -27.858 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.032 13.950 -28.371 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.093 14.357 -26.640 1.00 0.00 H new ATOM 1590 N ASP A 107 13.366 11.039 -25.812 1.00 0.00 N ATOM 1591 CA ASP A 107 14.479 10.141 -25.536 1.00 0.00 C ATOM 1592 C ASP A 107 15.181 10.504 -24.230 1.00 0.00 C ATOM 1593 O ASP A 107 15.668 9.621 -23.523 1.00 0.00 O ATOM 1594 CB ASP A 107 15.462 10.183 -26.707 1.00 0.00 C ATOM 1595 CG ASP A 107 14.803 9.711 -28.000 1.00 0.00 C ATOM 1596 OD1 ASP A 107 14.434 10.587 -28.815 1.00 0.00 O ATOM 1597 OD2 ASP A 107 14.672 8.477 -28.166 1.00 0.00 O ATOM 0 H ASP A 107 13.600 11.817 -26.428 1.00 0.00 H new ATOM 0 HA ASP A 107 14.091 9.129 -25.422 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.834 11.199 -26.836 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.324 9.554 -26.484 1.00 0.00 H new ATOM 1602 N GLY A 108 15.234 11.799 -23.902 1.00 0.00 N ATOM 1603 CA GLY A 108 15.934 12.266 -22.717 1.00 0.00 C ATOM 1604 C GLY A 108 15.122 12.048 -21.446 1.00 0.00 C ATOM 1605 O GLY A 108 15.694 11.906 -20.367 1.00 0.00 O ATOM 0 H GLY A 108 14.796 12.540 -24.449 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.887 11.745 -22.631 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.160 13.327 -22.825 1.00 0.00 H new ATOM 1609 N VAL A 109 13.793 12.018 -21.560 1.00 0.00 N ATOM 1610 CA VAL A 109 12.921 11.807 -20.413 1.00 0.00 C ATOM 1611 C VAL A 109 12.753 10.317 -20.136 1.00 0.00 C ATOM 1612 O VAL A 109 12.486 9.932 -18.999 1.00 0.00 O ATOM 1613 CB VAL A 109 11.582 12.508 -20.653 1.00 0.00 C ATOM 1614 CG1 VAL A 109 10.610 12.246 -19.504 1.00 0.00 C ATOM 1615 CG2 VAL A 109 11.806 14.018 -20.734 1.00 0.00 C ATOM 0 H VAL A 109 13.298 12.139 -22.444 1.00 0.00 H new ATOM 0 HA VAL A 109 13.372 12.244 -19.522 1.00 0.00 H new ATOM 0 HB VAL A 109 11.164 12.119 -21.582 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.667 12.756 -19.701 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.431 11.174 -19.416 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.037 12.620 -18.574 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.853 14.519 -20.905 1.00 0.00 H new ATOM 0 HG22 VAL A 109 12.239 14.372 -19.799 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.486 14.241 -21.556 1.00 0.00 H new ATOM 1625 N ALA A 110 12.910 9.467 -21.155 1.00 0.00 N ATOM 1626 CA ALA A 110 12.833 8.029 -20.949 1.00 0.00 C ATOM 1627 C ALA A 110 14.041 7.561 -20.136 1.00 0.00 C ATOM 1628 O ALA A 110 13.939 6.612 -19.356 1.00 0.00 O ATOM 1629 CB ALA A 110 12.783 7.331 -22.308 1.00 0.00 C ATOM 0 H ALA A 110 13.089 9.751 -22.118 1.00 0.00 H new ATOM 0 HA ALA A 110 11.930 7.777 -20.393 1.00 0.00 H new ATOM 0 HB1 ALA A 110 12.725 6.252 -22.161 1.00 0.00 H new ATOM 0 HB2 ALA A 110 11.906 7.670 -22.859 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.683 7.572 -22.874 1.00 0.00 H new ATOM 1635 N LYS A 111 15.187 8.226 -20.313 1.00 0.00 N ATOM 1636 CA LYS A 111 16.391 7.926 -19.553 1.00 0.00 C ATOM 1637 C LYS A 111 16.325 8.575 -18.171 1.00 0.00 C ATOM 1638 O LYS A 111 16.902 8.060 -17.216 1.00 0.00 O ATOM 1639 CB LYS A 111 17.605 8.415 -20.346 1.00 0.00 C ATOM 1640 CG LYS A 111 18.910 8.038 -19.645 1.00 0.00 C ATOM 1641 CD LYS A 111 20.101 8.493 -20.487 1.00 0.00 C ATOM 1642 CE LYS A 111 21.401 8.118 -19.777 1.00 0.00 C ATOM 1643 NZ LYS A 111 22.575 8.553 -20.558 1.00 0.00 N ATOM 0 H LYS A 111 15.300 8.984 -20.986 1.00 0.00 H new ATOM 0 HA LYS A 111 16.479 6.851 -19.399 1.00 0.00 H new ATOM 0 HB2 LYS A 111 17.588 7.982 -21.346 1.00 0.00 H new ATOM 0 HB3 LYS A 111 17.553 9.497 -20.466 1.00 0.00 H new ATOM 0 HG2 LYS A 111 18.951 8.502 -18.660 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.952 6.960 -19.491 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.064 8.026 -21.471 1.00 0.00 H new ATOM 0 HD3 LYS A 111 20.058 9.571 -20.644 1.00 0.00 H new ATOM 0 HE2 LYS A 111 21.426 8.578 -18.789 1.00 0.00 H new ATOM 0 HE3 LYS A 111 21.439 7.039 -19.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 23.445 8.287 -20.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 22.561 8.094 -21.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 22.548 9.586 -20.680 1.00 0.00 H new ATOM 1657 N ALA A 112 15.620 9.705 -18.055 1.00 0.00 N ATOM 1658 CA ALA A 112 15.484 10.403 -16.791 1.00 0.00 C ATOM 1659 C ALA A 112 14.498 9.682 -15.871 1.00 0.00 C ATOM 1660 O ALA A 112 14.660 9.720 -14.653 1.00 0.00 O ATOM 1661 CB ALA A 112 15.018 11.833 -17.063 1.00 0.00 C ATOM 0 H ALA A 112 15.135 10.151 -18.833 1.00 0.00 H new ATOM 0 HA ALA A 112 16.450 10.422 -16.286 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.912 12.367 -16.119 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.752 12.342 -17.688 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.057 11.811 -17.577 1.00 0.00 H new ATOM 1667 N LEU A 113 13.482 9.025 -16.440 1.00 0.00 N ATOM 1668 CA LEU A 113 12.523 8.278 -15.648 1.00 0.00 C ATOM 1669 C LEU A 113 13.129 6.950 -15.206 1.00 0.00 C ATOM 1670 O LEU A 113 12.786 6.438 -14.144 1.00 0.00 O ATOM 1671 CB LEU A 113 11.247 8.068 -16.472 1.00 0.00 C ATOM 1672 CG LEU A 113 10.180 7.282 -15.703 1.00 0.00 C ATOM 1673 CD1 LEU A 113 9.798 7.985 -14.402 1.00 0.00 C ATOM 1674 CD2 LEU A 113 8.927 7.146 -16.564 1.00 0.00 C ATOM 0 H LEU A 113 13.310 9.001 -17.445 1.00 0.00 H new ATOM 0 HA LEU A 113 12.266 8.837 -14.748 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.842 9.037 -16.763 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.494 7.537 -17.391 1.00 0.00 H new ATOM 0 HG LEU A 113 10.595 6.302 -15.466 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.039 7.400 -13.882 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.679 8.081 -13.768 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.402 8.976 -14.626 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.168 6.587 -16.017 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.543 8.137 -16.807 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.174 6.617 -17.485 1.00 0.00 H new ATOM 1686 N ALA A 114 14.038 6.389 -16.011 1.00 0.00 N ATOM 1687 CA ALA A 114 14.714 5.152 -15.650 1.00 0.00 C ATOM 1688 C ALA A 114 15.716 5.397 -14.524 1.00 0.00 C ATOM 1689 O ALA A 114 16.018 4.481 -13.762 1.00 0.00 O ATOM 1690 CB ALA A 114 15.403 4.580 -16.889 1.00 0.00 C ATOM 0 H ALA A 114 14.317 6.775 -16.913 1.00 0.00 H new ATOM 0 HA ALA A 114 13.984 4.429 -15.285 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.912 3.653 -16.627 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.658 4.380 -17.660 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.130 5.299 -17.265 1.00 0.00 H new ATOM 1696 N ALA A 115 16.236 6.626 -14.417 1.00 0.00 N ATOM 1697 CA ALA A 115 17.146 7.008 -13.347 1.00 0.00 C ATOM 1698 C ALA A 115 16.400 7.500 -12.104 1.00 0.00 C ATOM 1699 O ALA A 115 16.970 7.529 -11.016 1.00 0.00 O ATOM 1700 CB ALA A 115 18.087 8.091 -13.881 1.00 0.00 C ATOM 0 H ALA A 115 16.033 7.379 -15.074 1.00 0.00 H new ATOM 0 HA ALA A 115 17.715 6.132 -13.036 1.00 0.00 H new ATOM 0 HB1 ALA A 115 18.779 8.392 -13.094 1.00 0.00 H new ATOM 0 HB2 ALA A 115 18.650 7.699 -14.728 1.00 0.00 H new ATOM 0 HB3 ALA A 115 17.504 8.954 -14.201 1.00 0.00 H new ATOM 1706 N LEU A 116 15.129 7.885 -12.259 1.00 0.00 N ATOM 1707 CA LEU A 116 14.317 8.408 -11.169 1.00 0.00 C ATOM 1708 C LEU A 116 13.557 7.283 -10.466 1.00 0.00 C ATOM 1709 O LEU A 116 13.447 7.281 -9.244 1.00 0.00 O ATOM 1710 CB LEU A 116 13.384 9.474 -11.764 1.00 0.00 C ATOM 1711 CG LEU A 116 12.441 10.196 -10.792 1.00 0.00 C ATOM 1712 CD1 LEU A 116 11.202 9.369 -10.449 1.00 0.00 C ATOM 1713 CD2 LEU A 116 13.150 10.614 -9.509 1.00 0.00 C ATOM 0 H LEU A 116 14.637 7.840 -13.151 1.00 0.00 H new ATOM 0 HA LEU A 116 14.939 8.865 -10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.000 10.225 -12.259 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.777 9.000 -12.536 1.00 0.00 H new ATOM 0 HG LEU A 116 12.114 11.093 -11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 116 10.571 9.928 -9.758 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.643 9.156 -11.360 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.507 8.432 -9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.444 11.121 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.544 9.730 -9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.970 11.290 -9.750 1.00 0.00 H new ATOM 1725 N LEU A 117 13.033 6.324 -11.235 1.00 0.00 N ATOM 1726 CA LEU A 117 12.161 5.280 -10.713 1.00 0.00 C ATOM 1727 C LEU A 117 12.950 4.081 -10.178 1.00 0.00 C ATOM 1728 O LEU A 117 12.392 2.993 -10.016 1.00 0.00 O ATOM 1729 CB LEU A 117 11.137 4.918 -11.794 1.00 0.00 C ATOM 1730 CG LEU A 117 9.887 4.207 -11.262 1.00 0.00 C ATOM 1731 CD1 LEU A 117 9.182 5.042 -10.191 1.00 0.00 C ATOM 1732 CD2 LEU A 117 8.920 3.985 -12.419 1.00 0.00 C ATOM 0 H LEU A 117 13.205 6.254 -12.238 1.00 0.00 H new ATOM 0 HA LEU A 117 11.618 5.649 -9.842 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.832 5.829 -12.309 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.618 4.279 -12.535 1.00 0.00 H new ATOM 0 HG LEU A 117 10.194 3.260 -10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.300 4.509 -9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.863 5.214 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.880 5.999 -10.616 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.026 3.480 -12.054 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.643 4.947 -12.851 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.399 3.370 -13.181 1.00 0.00 H new ATOM 1744 N VAL A 118 14.245 4.268 -9.901 1.00 0.00 N ATOM 1745 CA VAL A 118 15.119 3.216 -9.393 1.00 0.00 C ATOM 1746 C VAL A 118 15.834 3.671 -8.122 1.00 0.00 C ATOM 1747 O VAL A 118 16.213 4.861 -8.060 1.00 0.00 O ATOM 1748 CB VAL A 118 16.095 2.766 -10.484 1.00 0.00 C ATOM 1749 CG1 VAL A 118 17.099 3.867 -10.829 1.00 0.00 C ATOM 1750 CG2 VAL A 118 16.853 1.520 -10.033 1.00 0.00 C ATOM 0 H VAL A 118 14.716 5.164 -10.026 1.00 0.00 H new ATOM 0 HA VAL A 118 14.515 2.351 -9.120 1.00 0.00 H new ATOM 0 HB VAL A 118 15.508 2.541 -11.374 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.775 3.512 -11.607 1.00 0.00 H new ATOM 0 HG12 VAL A 118 16.565 4.747 -11.187 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.673 4.127 -9.940 1.00 0.00 H new ATOM 0 HG21 VAL A 118 17.543 1.210 -10.817 1.00 0.00 H new ATOM 0 HG22 VAL A 118 17.412 1.743 -9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 118 16.145 0.715 -9.834 1.00 0.00 H new TER 1760 VAL A 118