USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 23 ASN : amide:sc= 0.984 K(o=2.2,f=-1.5) USER MOD Set 1.2: A 26 THR OG1 : rot 118:sc= 1.23 USER MOD Set 2.1: A 17 MET CE :methyl -154:sc= 0 (180deg=-0.207) USER MOD Set 2.2: A 33 GLN : amide:sc= 0.255 K(o=1.1,f=-7.2!) USER MOD Set 2.3: A 37 LYS NZ :NH3+ 161:sc= 0.882 (180deg=0.665) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 91:sc= 0.938 USER MOD Single : A 9 LYS NZ :NH3+ -131:sc= 1.19 (180deg=-0.631) USER MOD Single : A 12 GLN : amide:sc= 1.45 K(o=1.4,f=-7.2!) USER MOD Single : A 13 LYS NZ :NH3+ 132:sc= 0.781 (180deg=-2.36!) USER MOD Single : A 21 GLN : amide:sc= 1.06 K(o=1.1,f=-0.013) USER MOD Single : A 28 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 29 GLN : amide:sc= 1.17 K(o=1.2,f=-0.013) USER MOD Single : A 32 SER OG : rot -34:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= 0.867 (180deg=-0.189) USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= 0.189 (180deg=-0.85) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -112:sc= 0.378 USER MOD Single : A 57 SER OG : rot -140:sc= 1.17 USER MOD Single : A 62 THR OG1 : rot -79:sc= 1.21 USER MOD Single : A 64 LYS NZ :NH3+ -116:sc= 2.13 (180deg=2) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.24) USER MOD Single : A 67 GLN : amide:sc= -0.597 K(o=-0.6,f=-2.3!) USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= -0.486 (180deg=-0.497) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -15.051 -1.806 6.999 1.00 0.00 N ATOM 11 CA TYR A 2 -13.845 -2.246 7.746 1.00 0.00 C ATOM 12 C TYR A 2 -12.575 -2.096 6.902 1.00 0.00 C ATOM 13 O TYR A 2 -11.590 -1.488 7.328 1.00 0.00 O ATOM 14 CB TYR A 2 -13.982 -3.660 8.351 1.00 0.00 C ATOM 15 CG TYR A 2 -12.677 -4.236 8.885 1.00 0.00 C ATOM 16 CD1 TYR A 2 -12.188 -3.867 10.153 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.935 -5.135 8.090 1.00 0.00 C ATOM 18 CE1 TYR A 2 -10.971 -4.394 10.628 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.717 -5.662 8.558 1.00 0.00 C ATOM 20 CZ TYR A 2 -10.226 -5.297 9.832 1.00 0.00 C ATOM 21 OH TYR A 2 -9.051 -5.820 10.278 1.00 0.00 O ATOM 0 HA TYR A 2 -13.752 -1.574 8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.711 -3.628 9.161 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -14.379 -4.332 7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.749 -3.176 10.765 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -12.304 -5.421 7.116 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.605 -4.108 11.603 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.155 -6.348 7.941 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.681 -6.421 9.598 1.00 0.00 H new ATOM 31 N PHE A 3 -12.635 -2.586 5.669 1.00 0.00 N ATOM 32 CA PHE A 3 -11.627 -2.461 4.648 1.00 0.00 C ATOM 33 C PHE A 3 -11.086 -1.044 4.501 1.00 0.00 C ATOM 34 O PHE A 3 -9.888 -0.939 4.297 1.00 0.00 O ATOM 35 CB PHE A 3 -12.232 -2.877 3.315 1.00 0.00 C ATOM 36 CG PHE A 3 -12.344 -4.355 3.070 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.189 -5.086 2.742 1.00 0.00 C ATOM 38 CD2 PHE A 3 -13.607 -4.973 3.068 1.00 0.00 C ATOM 39 CE1 PHE A 3 -11.301 -6.442 2.406 1.00 0.00 C ATOM 40 CE2 PHE A 3 -13.717 -6.330 2.743 1.00 0.00 C ATOM 41 CZ PHE A 3 -12.564 -7.051 2.404 1.00 0.00 C ATOM 0 H PHE A 3 -13.446 -3.114 5.345 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.795 -3.100 4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.228 -2.441 3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.632 -2.442 2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.222 -4.606 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.490 -4.402 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.421 -7.014 2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.681 -6.817 2.753 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.650 -8.094 2.137 1.00 0.00 H new ATOM 51 N CYS A 4 -11.900 0.018 4.591 1.00 0.00 N ATOM 52 CA CYS A 4 -11.412 1.369 4.319 1.00 0.00 C ATOM 53 C CYS A 4 -10.241 1.762 5.218 1.00 0.00 C ATOM 54 O CYS A 4 -9.158 2.015 4.700 1.00 0.00 O ATOM 55 CB CYS A 4 -12.523 2.420 4.415 1.00 0.00 C ATOM 56 SG CYS A 4 -11.967 3.990 3.703 1.00 0.00 S ATOM 0 H CYS A 4 -12.886 -0.035 4.847 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.053 1.346 3.290 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.411 2.069 3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.806 2.566 5.458 1.00 0.00 H new ATOM 0 HG CYS A 4 -12.921 4.868 3.791 1.00 0.00 H new ATOM 61 N GLU A 5 -10.433 1.794 6.542 1.00 0.00 N ATOM 62 CA GLU A 5 -9.367 2.146 7.480 1.00 0.00 C ATOM 63 C GLU A 5 -8.212 1.164 7.311 1.00 0.00 C ATOM 64 O GLU A 5 -7.067 1.582 7.197 1.00 0.00 O ATOM 65 CB GLU A 5 -9.887 2.229 8.924 1.00 0.00 C ATOM 66 CG GLU A 5 -8.786 2.392 9.995 1.00 0.00 C ATOM 67 CD GLU A 5 -7.788 3.548 9.787 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.083 4.532 9.075 1.00 0.00 O ATOM 69 OE2 GLU A 5 -6.678 3.467 10.360 1.00 0.00 O ATOM 0 H GLU A 5 -11.325 1.578 6.988 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.994 3.145 7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.577 3.069 9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.458 1.327 9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.269 2.529 10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.222 1.461 10.049 1.00 0.00 H new ATOM 76 N SER A 6 -8.501 -0.136 7.288 1.00 0.00 N ATOM 77 CA SER A 6 -7.509 -1.188 7.100 1.00 0.00 C ATOM 78 C SER A 6 -6.610 -0.927 5.872 1.00 0.00 C ATOM 79 O SER A 6 -5.384 -0.933 5.977 1.00 0.00 O ATOM 80 CB SER A 6 -8.254 -2.524 7.003 1.00 0.00 C ATOM 81 OG SER A 6 -9.137 -2.693 8.097 1.00 0.00 O ATOM 0 H SER A 6 -9.450 -0.492 7.402 1.00 0.00 H new ATOM 0 HA SER A 6 -6.828 -1.210 7.951 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.814 -2.565 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.536 -3.344 6.980 1.00 0.00 H new ATOM 0 HG SER A 6 -10.018 -2.333 7.865 1.00 0.00 H new ATOM 87 N CYS A 7 -7.214 -0.679 4.711 1.00 0.00 N ATOM 88 CA CYS A 7 -6.583 -0.350 3.441 1.00 0.00 C ATOM 89 C CYS A 7 -5.780 0.938 3.570 1.00 0.00 C ATOM 90 O CYS A 7 -4.598 0.964 3.233 1.00 0.00 O ATOM 91 CB CYS A 7 -7.673 -0.212 2.369 1.00 0.00 C ATOM 92 SG CYS A 7 -7.110 0.338 0.737 1.00 0.00 S ATOM 0 H CYS A 7 -8.231 -0.706 4.631 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.894 -1.143 3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.168 -1.176 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.424 0.491 2.730 1.00 0.00 H new ATOM 97 N ARG A 8 -6.410 2.000 4.077 1.00 0.00 N ATOM 98 CA ARG A 8 -5.777 3.290 4.283 1.00 0.00 C ATOM 99 C ARG A 8 -4.549 3.113 5.160 1.00 0.00 C ATOM 100 O ARG A 8 -3.512 3.653 4.813 1.00 0.00 O ATOM 101 CB ARG A 8 -6.813 4.289 4.830 1.00 0.00 C ATOM 102 CG ARG A 8 -6.225 5.618 5.340 1.00 0.00 C ATOM 103 CD ARG A 8 -6.265 5.661 6.870 1.00 0.00 C ATOM 104 NE ARG A 8 -5.476 6.771 7.424 1.00 0.00 N ATOM 105 CZ ARG A 8 -5.634 7.300 8.641 1.00 0.00 C ATOM 106 NH1 ARG A 8 -6.544 6.819 9.488 1.00 0.00 N ATOM 107 NH2 ARG A 8 -4.845 8.313 8.987 1.00 0.00 N ATOM 0 H ARG A 8 -7.390 1.980 4.358 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.420 3.713 3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.537 4.506 4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.360 3.814 5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.198 5.727 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.790 6.455 4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.299 5.755 7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.888 4.718 7.267 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.748 7.170 6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.134 6.034 9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.650 7.236 10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.146 8.662 8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.938 8.741 9.908 1.00 0.00 H new ATOM 121 N LYS A 9 -4.613 2.355 6.252 1.00 0.00 N ATOM 122 CA LYS A 9 -3.491 2.093 7.134 1.00 0.00 C ATOM 123 C LYS A 9 -2.373 1.375 6.381 1.00 0.00 C ATOM 124 O LYS A 9 -1.218 1.768 6.530 1.00 0.00 O ATOM 125 CB LYS A 9 -4.016 1.283 8.330 1.00 0.00 C ATOM 126 CG LYS A 9 -2.994 1.064 9.450 1.00 0.00 C ATOM 127 CD LYS A 9 -2.431 2.350 10.084 1.00 0.00 C ATOM 128 CE LYS A 9 -3.518 3.353 10.498 1.00 0.00 C ATOM 129 NZ LYS A 9 -4.420 2.846 11.553 1.00 0.00 N ATOM 0 H LYS A 9 -5.473 1.896 6.551 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.055 3.022 7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.885 1.794 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.357 0.312 7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.460 0.466 10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.164 0.480 9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.839 2.085 10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.755 2.830 9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.041 4.269 10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.110 3.617 9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.408 3.006 11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.259 1.827 11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.228 3.347 12.444 1.00 0.00 H new ATOM 143 N ILE A 10 -2.710 0.347 5.596 1.00 0.00 N ATOM 144 CA ILE A 10 -1.760 -0.398 4.774 1.00 0.00 C ATOM 145 C ILE A 10 -1.042 0.570 3.825 1.00 0.00 C ATOM 146 O ILE A 10 0.186 0.577 3.815 1.00 0.00 O ATOM 147 CB ILE A 10 -2.452 -1.612 4.102 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.766 -2.675 5.182 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.579 -2.276 3.021 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.824 -3.695 4.749 1.00 0.00 C ATOM 0 H ILE A 10 -3.668 0.006 5.515 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.975 -0.845 5.385 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.357 -1.238 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.847 -3.203 5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.107 -2.172 6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.116 -3.119 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.351 -1.550 2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.651 -2.630 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.993 -4.409 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.756 -3.178 4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.477 -4.225 3.862 1.00 0.00 H new ATOM 162 N ILE A 11 -1.764 1.407 3.070 1.00 0.00 N ATOM 163 CA ILE A 11 -1.131 2.404 2.211 1.00 0.00 C ATOM 164 C ILE A 11 -0.334 3.411 3.048 1.00 0.00 C ATOM 165 O ILE A 11 0.791 3.704 2.678 1.00 0.00 O ATOM 166 CB ILE A 11 -2.157 3.096 1.279 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.774 2.170 0.198 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.539 4.317 0.574 1.00 0.00 C ATOM 169 CD1 ILE A 11 -1.787 1.379 -0.669 1.00 0.00 C ATOM 0 H ILE A 11 -2.784 1.411 3.039 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.426 1.889 1.559 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.962 3.399 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.437 1.461 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.394 2.779 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.285 4.780 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.207 5.039 1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.687 3.998 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.339 0.770 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.138 2.071 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.182 0.733 -0.034 1.00 0.00 H new ATOM 181 N GLN A 12 -0.856 3.936 4.157 1.00 0.00 N ATOM 182 CA GLN A 12 -0.198 4.993 4.924 1.00 0.00 C ATOM 183 C GLN A 12 1.175 4.562 5.415 1.00 0.00 C ATOM 184 O GLN A 12 2.115 5.334 5.303 1.00 0.00 O ATOM 185 CB GLN A 12 -1.056 5.431 6.117 1.00 0.00 C ATOM 186 CG GLN A 12 -2.292 6.225 5.682 1.00 0.00 C ATOM 187 CD GLN A 12 -2.193 7.714 5.993 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.946 8.195 6.843 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.330 8.455 5.318 1.00 0.00 N ATOM 0 H GLN A 12 -1.749 3.639 4.549 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.073 5.839 4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.371 4.551 6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.454 6.040 6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.441 6.094 4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.172 5.815 6.178 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.722 8.023 4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.272 9.458 5.494 1.00 0.00 H new ATOM 198 N LYS A 13 1.318 3.353 5.967 1.00 0.00 N ATOM 199 CA LYS A 13 2.639 2.868 6.369 1.00 0.00 C ATOM 200 C LYS A 13 3.527 2.619 5.141 1.00 0.00 C ATOM 201 O LYS A 13 4.744 2.618 5.292 1.00 0.00 O ATOM 202 CB LYS A 13 2.529 1.715 7.377 1.00 0.00 C ATOM 203 CG LYS A 13 3.836 1.297 8.086 1.00 0.00 C ATOM 204 CD LYS A 13 4.779 2.407 8.601 1.00 0.00 C ATOM 205 CE LYS A 13 4.183 3.421 9.590 1.00 0.00 C ATOM 206 NZ LYS A 13 5.214 4.384 10.047 1.00 0.00 N ATOM 0 H LYS A 13 0.551 2.704 6.143 1.00 0.00 H new ATOM 0 HA LYS A 13 3.166 3.643 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.801 1.995 8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.128 0.844 6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.567 0.669 8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.403 0.673 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.635 1.930 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.159 2.956 7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.362 3.959 9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.765 2.895 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.841 5.352 9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.463 4.182 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.062 4.294 9.451 1.00 0.00 H new ATOM 220 N LEU A 14 2.959 2.296 3.971 1.00 0.00 N ATOM 221 CA LEU A 14 3.735 2.178 2.736 1.00 0.00 C ATOM 222 C LEU A 14 4.324 3.560 2.458 1.00 0.00 C ATOM 223 O LEU A 14 5.532 3.713 2.409 1.00 0.00 O ATOM 224 CB LEU A 14 2.866 1.698 1.541 1.00 0.00 C ATOM 225 CG LEU A 14 3.629 1.079 0.352 1.00 0.00 C ATOM 226 CD1 LEU A 14 4.945 1.765 0.003 1.00 0.00 C ATOM 227 CD2 LEU A 14 3.923 -0.392 0.603 1.00 0.00 C ATOM 0 H LEU A 14 1.962 2.112 3.857 1.00 0.00 H new ATOM 0 HA LEU A 14 4.516 1.427 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.151 0.962 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.289 2.547 1.174 1.00 0.00 H new ATOM 0 HG LEU A 14 2.956 1.218 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.406 1.258 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.755 2.806 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.616 1.722 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.462 -0.806 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.532 -0.493 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.986 -0.933 0.737 1.00 0.00 H new ATOM 239 N GLU A 15 3.444 4.543 2.301 1.00 0.00 N ATOM 240 CA GLU A 15 3.657 5.933 1.933 1.00 0.00 C ATOM 241 C GLU A 15 4.700 6.582 2.847 1.00 0.00 C ATOM 242 O GLU A 15 5.676 7.152 2.371 1.00 0.00 O ATOM 243 CB GLU A 15 2.235 6.549 2.000 1.00 0.00 C ATOM 244 CG GLU A 15 2.005 8.025 1.657 1.00 0.00 C ATOM 245 CD GLU A 15 0.534 8.462 1.883 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.144 7.959 2.816 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.062 9.340 1.116 1.00 0.00 O ATOM 0 H GLU A 15 2.451 4.360 2.446 1.00 0.00 H new ATOM 0 HA GLU A 15 4.082 6.083 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.600 5.963 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.866 6.394 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.663 8.644 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.277 8.200 0.616 1.00 0.00 H new ATOM 254 N ASP A 16 4.526 6.424 4.154 1.00 0.00 N ATOM 255 CA ASP A 16 5.446 6.840 5.212 1.00 0.00 C ATOM 256 C ASP A 16 6.842 6.239 5.074 1.00 0.00 C ATOM 257 O ASP A 16 7.813 6.975 5.223 1.00 0.00 O ATOM 258 CB ASP A 16 4.771 6.428 6.531 1.00 0.00 C ATOM 259 CG ASP A 16 5.634 6.266 7.780 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.428 5.299 7.853 1.00 0.00 O ATOM 261 OD2 ASP A 16 5.174 6.749 8.841 1.00 0.00 O ATOM 0 H ASP A 16 3.690 5.976 4.528 1.00 0.00 H new ATOM 0 HA ASP A 16 5.620 7.915 5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.003 7.169 6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.260 5.481 6.358 1.00 0.00 H new ATOM 266 N MET A 17 6.965 4.940 4.784 1.00 0.00 N ATOM 267 CA MET A 17 8.281 4.319 4.690 1.00 0.00 C ATOM 268 C MET A 17 8.934 4.606 3.344 1.00 0.00 C ATOM 269 O MET A 17 10.133 4.864 3.307 1.00 0.00 O ATOM 270 CB MET A 17 8.227 2.803 4.940 1.00 0.00 C ATOM 271 CG MET A 17 7.985 2.502 6.422 1.00 0.00 C ATOM 272 SD MET A 17 8.288 0.789 6.968 1.00 0.00 S ATOM 273 CE MET A 17 7.133 -0.140 5.933 1.00 0.00 C ATOM 0 H MET A 17 6.181 4.310 4.613 1.00 0.00 H new ATOM 0 HA MET A 17 8.891 4.764 5.476 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.432 2.360 4.340 1.00 0.00 H new ATOM 0 HB3 MET A 17 9.162 2.344 4.619 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.618 3.165 7.012 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.951 2.757 6.657 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.863 -1.070 6.434 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.236 0.455 5.764 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.603 -0.367 4.976 1.00 0.00 H new ATOM 283 N VAL A 18 8.213 4.400 2.237 1.00 0.00 N ATOM 284 CA VAL A 18 8.766 4.595 0.903 1.00 0.00 C ATOM 285 C VAL A 18 9.181 6.068 0.714 1.00 0.00 C ATOM 286 O VAL A 18 10.090 6.370 -0.057 1.00 0.00 O ATOM 287 CB VAL A 18 7.770 4.069 -0.142 1.00 0.00 C ATOM 288 CG1 VAL A 18 6.648 5.052 -0.488 1.00 0.00 C ATOM 289 CG2 VAL A 18 8.462 3.436 -1.346 1.00 0.00 C ATOM 0 H VAL A 18 7.239 4.096 2.245 1.00 0.00 H new ATOM 0 HA VAL A 18 9.680 4.018 0.767 1.00 0.00 H new ATOM 0 HB VAL A 18 7.238 3.249 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.989 4.605 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.077 5.283 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.079 5.969 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.711 3.082 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.096 4.177 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.073 2.597 -1.015 1.00 0.00 H new ATOM 299 N GLY A 19 8.482 6.976 1.406 1.00 0.00 N ATOM 300 CA GLY A 19 8.694 8.405 1.401 1.00 0.00 C ATOM 301 C GLY A 19 8.091 9.073 0.156 1.00 0.00 C ATOM 302 O GLY A 19 7.475 8.418 -0.688 1.00 0.00 O ATOM 0 H GLY A 19 7.711 6.704 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.250 8.840 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.763 8.613 1.442 1.00 0.00 H new ATOM 306 N PRO A 20 8.250 10.400 0.015 1.00 0.00 N ATOM 307 CA PRO A 20 7.611 11.177 -1.044 1.00 0.00 C ATOM 308 C PRO A 20 8.212 11.093 -2.446 1.00 0.00 C ATOM 309 O PRO A 20 7.671 11.711 -3.362 1.00 0.00 O ATOM 310 CB PRO A 20 7.613 12.617 -0.516 1.00 0.00 C ATOM 311 CG PRO A 20 8.899 12.669 0.309 1.00 0.00 C ATOM 312 CD PRO A 20 8.948 11.279 0.943 1.00 0.00 C ATOM 0 HA PRO A 20 6.621 10.758 -1.224 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.622 13.346 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.733 12.827 0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.772 12.861 -0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.866 13.457 1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.977 10.953 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.467 11.277 1.921 1.00 0.00 H new ATOM 320 N GLN A 21 9.302 10.359 -2.631 1.00 0.00 N ATOM 321 CA GLN A 21 9.997 10.203 -3.916 1.00 0.00 C ATOM 322 C GLN A 21 10.471 8.749 -4.086 1.00 0.00 C ATOM 323 O GLN A 21 11.666 8.481 -3.972 1.00 0.00 O ATOM 324 CB GLN A 21 11.167 11.210 -4.020 1.00 0.00 C ATOM 325 CG GLN A 21 10.764 12.690 -4.140 1.00 0.00 C ATOM 326 CD GLN A 21 10.134 13.024 -5.493 1.00 0.00 C ATOM 327 OE1 GLN A 21 10.815 13.412 -6.430 1.00 0.00 O ATOM 328 NE2 GLN A 21 8.826 12.890 -5.636 1.00 0.00 N ATOM 0 H GLN A 21 9.745 9.838 -1.874 1.00 0.00 H new ATOM 0 HA GLN A 21 9.306 10.423 -4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.800 11.095 -3.140 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.774 10.946 -4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.059 12.936 -3.346 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.644 13.315 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.258 12.566 -4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.385 13.111 -6.529 1.00 0.00 H new ATOM 337 N PRO A 22 9.558 7.788 -4.303 1.00 0.00 N ATOM 338 CA PRO A 22 9.905 6.378 -4.414 1.00 0.00 C ATOM 339 C PRO A 22 10.051 5.926 -5.877 1.00 0.00 C ATOM 340 O PRO A 22 9.763 6.663 -6.820 1.00 0.00 O ATOM 341 CB PRO A 22 8.711 5.699 -3.761 1.00 0.00 C ATOM 342 CG PRO A 22 7.546 6.514 -4.298 1.00 0.00 C ATOM 343 CD PRO A 22 8.107 7.937 -4.305 1.00 0.00 C ATOM 0 HA PRO A 22 10.864 6.142 -3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.636 4.648 -4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.766 5.736 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.251 6.190 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.665 6.429 -3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.771 8.486 -5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.769 8.496 -3.432 1.00 0.00 H new ATOM 351 N ASN A 23 10.385 4.649 -6.063 1.00 0.00 N ATOM 352 CA ASN A 23 10.464 3.937 -7.336 1.00 0.00 C ATOM 353 C ASN A 23 9.863 2.547 -7.105 1.00 0.00 C ATOM 354 O ASN A 23 9.877 2.052 -5.979 1.00 0.00 O ATOM 355 CB ASN A 23 11.913 3.838 -7.845 1.00 0.00 C ATOM 356 CG ASN A 23 12.794 3.026 -6.904 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.986 3.410 -5.760 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.323 1.887 -7.323 1.00 0.00 N ATOM 0 H ASN A 23 10.623 4.046 -5.276 1.00 0.00 H new ATOM 0 HA ASN A 23 9.913 4.476 -8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.919 3.379 -8.834 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.328 4.840 -7.956 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.893 1.326 -6.690 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.160 1.570 -8.279 1.00 0.00 H new ATOM 365 N GLU A 24 9.305 1.941 -8.157 1.00 0.00 N ATOM 366 CA GLU A 24 8.559 0.674 -8.149 1.00 0.00 C ATOM 367 C GLU A 24 9.144 -0.445 -7.276 1.00 0.00 C ATOM 368 O GLU A 24 8.382 -1.116 -6.569 1.00 0.00 O ATOM 369 CB GLU A 24 8.345 0.225 -9.606 1.00 0.00 C ATOM 370 CG GLU A 24 7.684 -1.159 -9.732 1.00 0.00 C ATOM 371 CD GLU A 24 6.743 -1.246 -10.932 1.00 0.00 C ATOM 372 OE1 GLU A 24 7.197 -1.359 -12.088 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.508 -1.232 -10.716 1.00 0.00 O ATOM 0 H GLU A 24 9.364 2.343 -9.093 1.00 0.00 H new ATOM 0 HA GLU A 24 7.605 0.876 -7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.726 0.962 -10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.308 0.207 -10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.458 -1.921 -9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.128 -1.378 -8.820 1.00 0.00 H new ATOM 380 N ASP A 25 10.468 -0.633 -7.279 1.00 0.00 N ATOM 381 CA ASP A 25 11.077 -1.662 -6.435 1.00 0.00 C ATOM 382 C ASP A 25 10.868 -1.297 -4.976 1.00 0.00 C ATOM 383 O ASP A 25 10.277 -2.073 -4.232 1.00 0.00 O ATOM 384 CB ASP A 25 12.567 -1.878 -6.692 1.00 0.00 C ATOM 385 CG ASP A 25 13.061 -2.902 -5.662 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.657 -4.077 -5.787 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.747 -2.477 -4.705 1.00 0.00 O ATOM 0 H ASP A 25 11.126 -0.097 -7.845 1.00 0.00 H new ATOM 0 HA ASP A 25 10.583 -2.600 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.734 -2.241 -7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.114 -0.940 -6.595 1.00 0.00 H new ATOM 392 N THR A 26 11.259 -0.086 -4.582 1.00 0.00 N ATOM 393 CA THR A 26 11.124 0.403 -3.223 1.00 0.00 C ATOM 394 C THR A 26 9.673 0.289 -2.753 1.00 0.00 C ATOM 395 O THR A 26 9.452 -0.097 -1.609 1.00 0.00 O ATOM 396 CB THR A 26 11.701 1.826 -3.118 1.00 0.00 C ATOM 397 OG1 THR A 26 12.978 1.809 -3.722 1.00 0.00 O ATOM 398 CG2 THR A 26 11.945 2.253 -1.668 1.00 0.00 C ATOM 0 H THR A 26 11.686 0.590 -5.215 1.00 0.00 H new ATOM 0 HA THR A 26 11.706 -0.218 -2.543 1.00 0.00 H new ATOM 0 HB THR A 26 10.989 2.506 -3.585 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.983 2.412 -4.494 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.352 3.264 -1.650 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.004 2.231 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.653 1.568 -1.201 1.00 0.00 H new ATOM 406 N VAL A 27 8.673 0.518 -3.614 1.00 0.00 N ATOM 407 CA VAL A 27 7.274 0.302 -3.237 1.00 0.00 C ATOM 408 C VAL A 27 7.051 -1.184 -2.918 1.00 0.00 C ATOM 409 O VAL A 27 6.440 -1.524 -1.902 1.00 0.00 O ATOM 410 CB VAL A 27 6.290 0.774 -4.336 1.00 0.00 C ATOM 411 CG1 VAL A 27 4.857 0.782 -3.773 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.597 2.166 -4.905 1.00 0.00 C ATOM 0 H VAL A 27 8.807 0.850 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 27 7.070 0.903 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 27 6.401 0.066 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.164 1.114 -4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.587 -0.224 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.804 1.461 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.860 2.418 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.556 2.904 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.593 2.166 -5.348 1.00 0.00 H new ATOM 422 N THR A 28 7.527 -2.074 -3.784 1.00 0.00 N ATOM 423 CA THR A 28 7.383 -3.517 -3.679 1.00 0.00 C ATOM 424 C THR A 28 8.075 -4.057 -2.416 1.00 0.00 C ATOM 425 O THR A 28 7.440 -4.766 -1.622 1.00 0.00 O ATOM 426 CB THR A 28 7.896 -4.142 -4.990 1.00 0.00 C ATOM 427 OG1 THR A 28 7.161 -3.597 -6.073 1.00 0.00 O ATOM 428 CG2 THR A 28 7.722 -5.661 -5.011 1.00 0.00 C ATOM 0 H THR A 28 8.047 -1.793 -4.615 1.00 0.00 H new ATOM 0 HA THR A 28 6.336 -3.797 -3.558 1.00 0.00 H new ATOM 0 HB THR A 28 8.960 -3.918 -5.071 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.528 -2.719 -6.309 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.098 -6.057 -5.954 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.279 -6.102 -4.185 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.665 -5.908 -4.909 1.00 0.00 H new ATOM 436 N GLN A 29 9.345 -3.716 -2.174 1.00 0.00 N ATOM 437 CA GLN A 29 10.041 -4.181 -0.983 1.00 0.00 C ATOM 438 C GLN A 29 9.446 -3.519 0.263 1.00 0.00 C ATOM 439 O GLN A 29 9.195 -4.232 1.244 1.00 0.00 O ATOM 440 CB GLN A 29 11.567 -4.019 -1.080 1.00 0.00 C ATOM 441 CG GLN A 29 12.080 -2.635 -1.483 1.00 0.00 C ATOM 442 CD GLN A 29 13.536 -2.441 -1.074 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.834 -2.373 0.115 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.452 -2.356 -2.021 1.00 0.00 N ATOM 0 H GLN A 29 9.904 -3.123 -2.787 1.00 0.00 H new ATOM 0 HA GLN A 29 9.883 -5.256 -0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.000 -4.276 -0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.943 -4.746 -1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.984 -2.509 -2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.464 -1.867 -1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.179 -2.415 -3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.433 -2.231 -1.772 1.00 0.00 H new ATOM 453 N ALA A 30 9.100 -2.222 0.219 1.00 0.00 N ATOM 454 CA ALA A 30 8.438 -1.550 1.328 1.00 0.00 C ATOM 455 C ALA A 30 7.139 -2.267 1.662 1.00 0.00 C ATOM 456 O ALA A 30 6.869 -2.453 2.839 1.00 0.00 O ATOM 457 CB ALA A 30 8.169 -0.066 1.053 1.00 0.00 C ATOM 0 H ALA A 30 9.274 -1.620 -0.586 1.00 0.00 H new ATOM 0 HA ALA A 30 9.117 -1.591 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.674 0.380 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.113 0.447 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.528 0.031 0.177 1.00 0.00 H new ATOM 463 N ALA A 31 6.360 -2.730 0.680 1.00 0.00 N ATOM 464 CA ALA A 31 5.156 -3.529 0.878 1.00 0.00 C ATOM 465 C ALA A 31 5.464 -4.833 1.622 1.00 0.00 C ATOM 466 O ALA A 31 4.703 -5.233 2.509 1.00 0.00 O ATOM 467 CB ALA A 31 4.431 -3.818 -0.444 1.00 0.00 C ATOM 0 H ALA A 31 6.560 -2.551 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 31 4.485 -2.934 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.541 -4.415 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.141 -2.878 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.096 -4.366 -1.111 1.00 0.00 H new ATOM 473 N SER A 32 6.489 -5.595 1.222 1.00 0.00 N ATOM 474 CA SER A 32 6.798 -6.843 1.928 1.00 0.00 C ATOM 475 C SER A 32 6.950 -6.619 3.441 1.00 0.00 C ATOM 476 O SER A 32 6.419 -7.426 4.221 1.00 0.00 O ATOM 477 CB SER A 32 8.038 -7.500 1.302 1.00 0.00 C ATOM 478 OG SER A 32 9.233 -6.871 1.712 1.00 0.00 O ATOM 0 H SER A 32 7.102 -5.378 0.436 1.00 0.00 H new ATOM 0 HA SER A 32 5.959 -7.530 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.069 -8.554 1.579 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.961 -7.459 0.216 1.00 0.00 H new ATOM 0 HG SER A 32 9.075 -5.911 1.826 1.00 0.00 H new ATOM 484 N GLN A 33 7.435 -5.430 3.815 1.00 0.00 N ATOM 485 CA GLN A 33 7.558 -4.924 5.165 1.00 0.00 C ATOM 486 C GLN A 33 6.327 -4.196 5.663 1.00 0.00 C ATOM 487 O GLN A 33 6.113 -4.225 6.867 1.00 0.00 O ATOM 488 CB GLN A 33 8.765 -3.973 5.263 1.00 0.00 C ATOM 489 CG GLN A 33 10.084 -4.729 5.443 1.00 0.00 C ATOM 490 CD GLN A 33 10.113 -5.256 6.881 1.00 0.00 C ATOM 491 OE1 GLN A 33 9.902 -4.497 7.831 1.00 0.00 O ATOM 492 NE2 GLN A 33 10.255 -6.556 7.074 1.00 0.00 N ATOM 0 H GLN A 33 7.772 -4.758 3.126 1.00 0.00 H new ATOM 0 HA GLN A 33 7.692 -5.801 5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.818 -3.362 4.362 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.621 -3.292 6.102 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.156 -5.551 4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.933 -4.071 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.429 -7.173 6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.190 -6.942 8.016 1.00 0.00 H new ATOM 501 N VAL A 34 5.522 -3.552 4.822 1.00 0.00 N ATOM 502 CA VAL A 34 4.393 -2.754 5.276 1.00 0.00 C ATOM 503 C VAL A 34 3.469 -3.724 6.001 1.00 0.00 C ATOM 504 O VAL A 34 2.989 -3.455 7.097 1.00 0.00 O ATOM 505 CB VAL A 34 3.682 -2.036 4.108 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.650 -2.792 3.259 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.031 -0.766 4.573 1.00 0.00 C ATOM 0 H VAL A 34 5.636 -3.570 3.809 1.00 0.00 H new ATOM 0 HA VAL A 34 4.718 -1.950 5.937 1.00 0.00 H new ATOM 0 HB VAL A 34 4.528 -1.890 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.257 -2.129 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.126 -3.653 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.833 -3.132 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.538 -0.281 3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.294 -0.996 5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.788 -0.098 4.984 1.00 0.00 H new ATOM 517 N CYS A 35 3.301 -4.902 5.390 1.00 0.00 N ATOM 518 CA CYS A 35 2.499 -5.968 5.910 1.00 0.00 C ATOM 519 C CYS A 35 3.144 -6.561 7.149 1.00 0.00 C ATOM 520 O CYS A 35 2.435 -6.736 8.131 1.00 0.00 O ATOM 521 CB CYS A 35 2.348 -7.074 4.873 1.00 0.00 C ATOM 522 SG CYS A 35 1.791 -6.642 3.202 1.00 0.00 S ATOM 0 H CYS A 35 3.739 -5.127 4.497 1.00 0.00 H new ATOM 0 HA CYS A 35 1.521 -5.557 6.161 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.313 -7.572 4.780 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.648 -7.808 5.274 1.00 0.00 H new ATOM 527 N ASP A 36 4.400 -7.041 7.086 1.00 0.00 N ATOM 528 CA ASP A 36 5.000 -7.538 8.332 1.00 0.00 C ATOM 529 C ASP A 36 4.939 -6.565 9.509 1.00 0.00 C ATOM 530 O ASP A 36 4.553 -6.946 10.612 1.00 0.00 O ATOM 531 CB ASP A 36 6.397 -8.144 8.229 1.00 0.00 C ATOM 532 CG ASP A 36 6.609 -8.863 9.571 1.00 0.00 C ATOM 533 OD1 ASP A 36 5.950 -9.914 9.756 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.240 -8.285 10.482 1.00 0.00 O ATOM 0 H ASP A 36 4.982 -7.094 6.250 1.00 0.00 H new ATOM 0 HA ASP A 36 4.327 -8.370 8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.467 -8.839 7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.152 -7.374 8.068 1.00 0.00 H new ATOM 539 N LYS A 37 5.212 -5.287 9.259 1.00 0.00 N ATOM 540 CA LYS A 37 5.334 -4.273 10.295 1.00 0.00 C ATOM 541 C LYS A 37 3.937 -3.974 10.819 1.00 0.00 C ATOM 542 O LYS A 37 3.772 -3.906 12.036 1.00 0.00 O ATOM 543 CB LYS A 37 6.058 -3.065 9.673 1.00 0.00 C ATOM 544 CG LYS A 37 6.492 -1.989 10.672 1.00 0.00 C ATOM 545 CD LYS A 37 7.308 -0.870 9.995 1.00 0.00 C ATOM 546 CE LYS A 37 8.809 -1.170 9.784 1.00 0.00 C ATOM 547 NZ LYS A 37 9.163 -1.868 8.525 1.00 0.00 N ATOM 0 H LYS A 37 5.356 -4.925 8.317 1.00 0.00 H new ATOM 0 HA LYS A 37 5.926 -4.589 11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.939 -3.423 9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.402 -2.609 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.611 -1.559 11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.089 -2.446 11.461 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.860 -0.654 9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.218 0.035 10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.356 -0.228 9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.159 -1.773 10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.176 -1.737 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.958 -2.883 8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.604 -1.475 7.741 1.00 0.00 H new ATOM 561 N LEU A 38 2.929 -3.842 9.951 1.00 0.00 N ATOM 562 CA LEU A 38 1.550 -3.706 10.395 1.00 0.00 C ATOM 563 C LEU A 38 1.105 -5.137 10.701 1.00 0.00 C ATOM 564 O LEU A 38 0.351 -5.748 9.936 1.00 0.00 O ATOM 565 CB LEU A 38 0.652 -3.072 9.317 1.00 0.00 C ATOM 566 CG LEU A 38 0.933 -1.592 9.014 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.099 -1.194 7.795 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.578 -0.678 10.194 1.00 0.00 C ATOM 0 H LEU A 38 3.049 -3.827 8.938 1.00 0.00 H new ATOM 0 HA LEU A 38 1.471 -3.045 11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.763 -3.642 8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.388 -3.171 9.630 1.00 0.00 H new ATOM 0 HG LEU A 38 2.000 -1.473 8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.279 -0.146 7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.381 -1.813 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.959 -1.339 8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.795 0.357 9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.482 -0.779 10.426 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.169 -0.962 11.065 1.00 0.00 H new ATOM 580 N LYS A 39 1.501 -5.671 11.859 1.00 0.00 N ATOM 581 CA LYS A 39 1.225 -7.070 12.172 1.00 0.00 C ATOM 582 C LYS A 39 -0.237 -7.167 12.599 1.00 0.00 C ATOM 583 O LYS A 39 -0.875 -6.156 12.880 1.00 0.00 O ATOM 584 CB LYS A 39 2.341 -7.721 13.017 1.00 0.00 C ATOM 585 CG LYS A 39 2.843 -6.961 14.256 1.00 0.00 C ATOM 586 CD LYS A 39 4.237 -7.440 14.732 1.00 0.00 C ATOM 587 CE LYS A 39 5.448 -7.001 13.867 1.00 0.00 C ATOM 588 NZ LYS A 39 5.825 -7.956 12.792 1.00 0.00 N ATOM 0 H LYS A 39 2.006 -5.162 12.584 1.00 0.00 H new ATOM 0 HA LYS A 39 1.290 -7.735 11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.985 -8.697 13.345 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.196 -7.897 12.364 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.888 -5.896 14.029 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.125 -7.084 15.067 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.394 -7.079 15.748 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.227 -8.529 14.779 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.222 -6.036 13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.308 -6.853 14.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.774 -7.721 12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.828 -8.924 13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.138 -7.892 12.014 1.00 0.00 H new ATOM 602 N ILE A 40 -0.793 -8.382 12.528 1.00 0.00 N ATOM 603 CA ILE A 40 -2.212 -8.727 12.730 1.00 0.00 C ATOM 604 C ILE A 40 -2.864 -8.391 11.375 1.00 0.00 C ATOM 605 O ILE A 40 -3.353 -9.283 10.683 1.00 0.00 O ATOM 606 CB ILE A 40 -2.921 -8.053 13.941 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.204 -8.436 15.255 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.411 -8.453 13.975 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.706 -7.665 16.482 1.00 0.00 C ATOM 0 H ILE A 40 -0.231 -9.206 12.314 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.311 -9.775 13.012 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.868 -6.970 13.832 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.334 -9.504 15.431 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.135 -8.259 15.139 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.897 -7.976 14.826 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.895 -8.131 13.053 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.495 -9.536 14.070 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.155 -7.989 17.365 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.551 -6.597 16.329 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.769 -7.861 16.625 1.00 0.00 H new ATOM 621 N LEU A 41 -2.666 -7.169 10.868 1.00 0.00 N ATOM 622 CA LEU A 41 -3.173 -6.704 9.575 1.00 0.00 C ATOM 623 C LEU A 41 -2.233 -7.143 8.425 1.00 0.00 C ATOM 624 O LEU A 41 -2.502 -6.903 7.243 1.00 0.00 O ATOM 625 CB LEU A 41 -3.235 -5.165 9.722 1.00 0.00 C ATOM 626 CG LEU A 41 -3.776 -4.339 8.544 1.00 0.00 C ATOM 627 CD1 LEU A 41 -5.200 -4.749 8.159 1.00 0.00 C ATOM 628 CD2 LEU A 41 -3.785 -2.852 8.930 1.00 0.00 C ATOM 0 H LEU A 41 -2.131 -6.455 11.363 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.147 -7.124 9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.848 -4.939 10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.227 -4.812 9.940 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.124 -4.521 7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.541 -4.139 7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.210 -5.800 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.864 -4.601 9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.168 -2.262 8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.423 -2.706 9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.770 -2.531 9.165 1.00 0.00 H new ATOM 640 N ARG A 42 -1.245 -7.989 8.749 1.00 0.00 N ATOM 641 CA ARG A 42 -0.290 -8.632 7.852 1.00 0.00 C ATOM 642 C ARG A 42 -1.013 -9.482 6.813 1.00 0.00 C ATOM 643 O ARG A 42 -0.610 -9.487 5.647 1.00 0.00 O ATOM 644 CB ARG A 42 0.697 -9.460 8.711 1.00 0.00 C ATOM 645 CG ARG A 42 1.857 -10.108 7.934 1.00 0.00 C ATOM 646 CD ARG A 42 2.976 -10.641 8.856 1.00 0.00 C ATOM 647 NE ARG A 42 2.667 -11.937 9.496 1.00 0.00 N ATOM 648 CZ ARG A 42 3.555 -12.699 10.164 1.00 0.00 C ATOM 649 NH1 ARG A 42 4.808 -12.300 10.363 1.00 0.00 N ATOM 650 NH2 ARG A 42 3.182 -13.887 10.641 1.00 0.00 N ATOM 0 H ARG A 42 -1.086 -8.258 9.720 1.00 0.00 H new ATOM 0 HA ARG A 42 0.273 -7.885 7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.114 -8.812 9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.139 -10.245 9.221 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.469 -10.929 7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.279 -9.377 7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.892 -10.745 8.274 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.174 -9.903 9.633 1.00 0.00 H new ATOM 0 HE ARG A 42 1.709 -12.280 9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.118 -11.396 10.006 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.459 -12.898 10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.227 -14.216 10.500 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.852 -14.466 11.147 1.00 0.00 H new ATOM 664 N GLY A 43 -2.050 -10.210 7.241 1.00 0.00 N ATOM 665 CA GLY A 43 -2.831 -11.102 6.397 1.00 0.00 C ATOM 666 C GLY A 43 -3.504 -10.340 5.261 1.00 0.00 C ATOM 667 O GLY A 43 -3.246 -10.620 4.088 1.00 0.00 O ATOM 0 H GLY A 43 -2.372 -10.190 8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.184 -11.876 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.588 -11.606 6.999 1.00 0.00 H new ATOM 671 N LEU A 44 -4.356 -9.365 5.607 1.00 0.00 N ATOM 672 CA LEU A 44 -5.119 -8.608 4.619 1.00 0.00 C ATOM 673 C LEU A 44 -4.160 -7.911 3.660 1.00 0.00 C ATOM 674 O LEU A 44 -4.369 -7.981 2.453 1.00 0.00 O ATOM 675 CB LEU A 44 -6.077 -7.617 5.305 1.00 0.00 C ATOM 676 CG LEU A 44 -6.859 -6.715 4.324 1.00 0.00 C ATOM 677 CD1 LEU A 44 -7.694 -7.502 3.305 1.00 0.00 C ATOM 678 CD2 LEU A 44 -7.810 -5.797 5.098 1.00 0.00 C ATOM 0 H LEU A 44 -4.531 -9.085 6.572 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.740 -9.291 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.788 -8.177 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.504 -6.986 5.985 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.105 -6.146 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.216 -6.807 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.038 -8.139 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.421 -8.120 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.356 -5.165 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.516 -6.401 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.236 -5.170 5.780 1.00 0.00 H new ATOM 690 N CYS A 45 -3.087 -7.308 4.178 1.00 0.00 N ATOM 691 CA CYS A 45 -2.031 -6.713 3.388 1.00 0.00 C ATOM 692 C CYS A 45 -1.493 -7.655 2.305 1.00 0.00 C ATOM 693 O CYS A 45 -1.580 -7.303 1.130 1.00 0.00 O ATOM 694 CB CYS A 45 -0.966 -6.190 4.343 1.00 0.00 C ATOM 695 SG CYS A 45 0.348 -5.264 3.540 1.00 0.00 S ATOM 0 H CYS A 45 -2.934 -7.223 5.183 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.425 -5.874 2.814 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.442 -5.552 5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.528 -7.032 4.878 1.00 0.00 H new ATOM 700 N LYS A 46 -0.975 -8.850 2.634 1.00 0.00 N ATOM 701 CA LYS A 46 -0.565 -9.786 1.576 1.00 0.00 C ATOM 702 C LYS A 46 -1.691 -10.109 0.591 1.00 0.00 C ATOM 703 O LYS A 46 -1.395 -10.186 -0.602 1.00 0.00 O ATOM 704 CB LYS A 46 0.127 -11.071 2.079 1.00 0.00 C ATOM 705 CG LYS A 46 1.629 -10.927 2.402 1.00 0.00 C ATOM 706 CD LYS A 46 1.971 -10.327 3.766 1.00 0.00 C ATOM 707 CE LYS A 46 3.492 -10.220 4.039 1.00 0.00 C ATOM 708 NZ LYS A 46 4.235 -9.310 3.125 1.00 0.00 N ATOM 0 H LYS A 46 -0.834 -9.182 3.588 1.00 0.00 H new ATOM 0 HA LYS A 46 0.202 -9.235 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.389 -11.415 2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.007 -11.848 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.090 -11.913 2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.088 -10.308 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.528 -9.334 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.514 -10.936 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.638 -9.879 5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.929 -11.216 3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.998 -8.837 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.643 -9.861 2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.584 -8.595 2.742 1.00 0.00 H new ATOM 722 N LYS A 47 -2.951 -10.279 1.018 1.00 0.00 N ATOM 723 CA LYS A 47 -4.011 -10.545 0.038 1.00 0.00 C ATOM 724 C LYS A 47 -4.208 -9.343 -0.891 1.00 0.00 C ATOM 725 O LYS A 47 -4.361 -9.550 -2.092 1.00 0.00 O ATOM 726 CB LYS A 47 -5.328 -11.021 0.686 1.00 0.00 C ATOM 727 CG LYS A 47 -6.171 -11.757 -0.379 1.00 0.00 C ATOM 728 CD LYS A 47 -7.414 -12.506 0.132 1.00 0.00 C ATOM 729 CE LYS A 47 -8.652 -11.604 0.258 1.00 0.00 C ATOM 730 NZ LYS A 47 -9.904 -12.394 0.393 1.00 0.00 N ATOM 0 H LYS A 47 -3.252 -10.240 1.992 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.680 -11.383 -0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.117 -11.684 1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.882 -10.170 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.493 -11.029 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.527 -12.472 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.639 -13.329 -0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.192 -12.946 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.539 -10.952 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.722 -10.960 -0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.715 -11.748 0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.026 -12.998 -0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.848 -12.990 1.244 1.00 0.00 H new ATOM 744 N ILE A 48 -4.175 -8.112 -0.372 1.00 0.00 N ATOM 745 CA ILE A 48 -4.249 -6.895 -1.179 1.00 0.00 C ATOM 746 C ILE A 48 -3.102 -6.895 -2.193 1.00 0.00 C ATOM 747 O ILE A 48 -3.366 -6.657 -3.365 1.00 0.00 O ATOM 748 CB ILE A 48 -4.310 -5.628 -0.282 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.712 -5.549 0.373 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.022 -4.331 -1.068 1.00 0.00 C ATOM 751 CD1 ILE A 48 -5.884 -4.414 1.392 1.00 0.00 C ATOM 0 H ILE A 48 -4.095 -7.933 0.629 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.178 -6.874 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.533 -5.715 0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.458 -5.429 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.920 -6.497 0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.078 -3.477 -0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.025 -4.384 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.760 -4.215 -1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.896 -4.439 1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.166 -4.541 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.713 -3.456 0.902 1.00 0.00 H new ATOM 763 N MET A 49 -1.862 -7.201 -1.796 1.00 0.00 N ATOM 764 CA MET A 49 -0.741 -7.258 -2.737 1.00 0.00 C ATOM 765 C MET A 49 -0.984 -8.329 -3.808 1.00 0.00 C ATOM 766 O MET A 49 -0.874 -8.028 -4.990 1.00 0.00 O ATOM 767 CB MET A 49 0.601 -7.458 -2.012 1.00 0.00 C ATOM 768 CG MET A 49 0.907 -6.350 -0.991 1.00 0.00 C ATOM 769 SD MET A 49 0.747 -4.645 -1.592 1.00 0.00 S ATOM 770 CE MET A 49 0.528 -3.773 -0.016 1.00 0.00 C ATOM 0 H MET A 49 -1.611 -7.413 -0.830 1.00 0.00 H new ATOM 0 HA MET A 49 -0.678 -6.295 -3.244 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.591 -8.421 -1.502 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.403 -7.496 -2.749 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.241 -6.477 -0.137 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.924 -6.491 -0.626 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.414 -2.705 -0.204 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.362 -4.150 0.488 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.400 -3.939 0.616 1.00 0.00 H new ATOM 780 N ARG A 50 -1.374 -9.560 -3.451 1.00 0.00 N ATOM 781 CA ARG A 50 -1.681 -10.598 -4.450 1.00 0.00 C ATOM 782 C ARG A 50 -2.705 -10.089 -5.462 1.00 0.00 C ATOM 783 O ARG A 50 -2.559 -10.341 -6.657 1.00 0.00 O ATOM 784 CB ARG A 50 -2.188 -11.861 -3.736 1.00 0.00 C ATOM 785 CG ARG A 50 -2.564 -13.071 -4.621 1.00 0.00 C ATOM 786 CD ARG A 50 -1.480 -13.601 -5.581 1.00 0.00 C ATOM 787 NE ARG A 50 -1.527 -12.916 -6.886 1.00 0.00 N ATOM 788 CZ ARG A 50 -1.245 -13.405 -8.100 1.00 0.00 C ATOM 789 NH1 ARG A 50 -0.733 -14.626 -8.252 1.00 0.00 N ATOM 790 NH2 ARG A 50 -1.491 -12.647 -9.165 1.00 0.00 N ATOM 0 H ARG A 50 -1.485 -9.863 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.773 -10.846 -5.000 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.420 -12.183 -3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.064 -11.588 -3.148 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.865 -13.889 -3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.437 -12.799 -5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.497 -13.462 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.615 -14.673 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.813 -11.937 -6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.549 -15.207 -7.434 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.525 -14.979 -9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.886 -11.714 -9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.284 -12.999 -10.100 1.00 0.00 H new ATOM 804 N SER A 51 -3.742 -9.431 -4.966 1.00 0.00 N ATOM 805 CA SER A 51 -4.846 -8.940 -5.767 1.00 0.00 C ATOM 806 C SER A 51 -4.482 -7.710 -6.610 1.00 0.00 C ATOM 807 O SER A 51 -4.936 -7.622 -7.748 1.00 0.00 O ATOM 808 CB SER A 51 -5.998 -8.607 -4.805 1.00 0.00 C ATOM 809 OG SER A 51 -7.252 -8.547 -5.449 1.00 0.00 O ATOM 0 H SER A 51 -3.839 -9.220 -3.973 1.00 0.00 H new ATOM 0 HA SER A 51 -5.129 -9.712 -6.482 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.036 -9.359 -4.017 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.797 -7.650 -4.323 1.00 0.00 H new ATOM 0 HG SER A 51 -7.578 -7.623 -5.445 1.00 0.00 H new ATOM 815 N PHE A 52 -3.648 -6.786 -6.112 1.00 0.00 N ATOM 816 CA PHE A 52 -3.376 -5.521 -6.790 1.00 0.00 C ATOM 817 C PHE A 52 -1.928 -5.005 -6.682 1.00 0.00 C ATOM 818 O PHE A 52 -1.742 -3.793 -6.669 1.00 0.00 O ATOM 819 CB PHE A 52 -4.334 -4.489 -6.139 1.00 0.00 C ATOM 820 CG PHE A 52 -5.811 -4.838 -6.086 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.547 -4.993 -7.276 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.465 -4.960 -4.844 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.925 -5.264 -7.225 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.844 -5.227 -4.795 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.576 -5.372 -5.985 1.00 0.00 C ATOM 0 H PHE A 52 -3.147 -6.899 -5.231 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.528 -5.671 -7.859 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.994 -4.311 -5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.230 -3.547 -6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.051 -4.903 -8.231 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.905 -4.848 -3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.484 -5.389 -8.140 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.342 -5.321 -3.841 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.638 -5.566 -5.947 1.00 0.00 H new ATOM 835 N LEU A 53 -0.876 -5.831 -6.733 1.00 0.00 N ATOM 836 CA LEU A 53 0.498 -5.349 -6.493 1.00 0.00 C ATOM 837 C LEU A 53 0.916 -4.241 -7.464 1.00 0.00 C ATOM 838 O LEU A 53 1.263 -3.152 -7.015 1.00 0.00 O ATOM 839 CB LEU A 53 1.529 -6.490 -6.475 1.00 0.00 C ATOM 840 CG LEU A 53 2.970 -6.038 -6.152 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.090 -5.206 -4.866 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.817 -7.302 -5.982 1.00 0.00 C ATOM 0 H LEU A 53 -0.944 -6.828 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 53 0.482 -4.910 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.220 -7.232 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.525 -6.984 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 53 3.304 -5.400 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.132 -4.927 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.483 -4.305 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.740 -5.794 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.845 -7.023 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.414 -7.903 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.796 -7.881 -6.905 1.00 0.00 H new ATOM 854 N ARG A 54 0.897 -4.483 -8.782 1.00 0.00 N ATOM 855 CA ARG A 54 1.301 -3.448 -9.745 1.00 0.00 C ATOM 856 C ARG A 54 0.419 -2.193 -9.591 1.00 0.00 C ATOM 857 O ARG A 54 0.884 -1.087 -9.847 1.00 0.00 O ATOM 858 CB ARG A 54 1.291 -4.003 -11.185 1.00 0.00 C ATOM 859 CG ARG A 54 2.175 -3.195 -12.161 1.00 0.00 C ATOM 860 CD ARG A 54 3.635 -3.675 -12.077 1.00 0.00 C ATOM 861 NE ARG A 54 4.580 -2.811 -12.798 1.00 0.00 N ATOM 862 CZ ARG A 54 5.062 -2.920 -14.041 1.00 0.00 C ATOM 863 NH1 ARG A 54 4.502 -3.753 -14.920 1.00 0.00 N ATOM 864 NH2 ARG A 54 6.110 -2.194 -14.401 1.00 0.00 N ATOM 0 H ARG A 54 0.612 -5.368 -9.200 1.00 0.00 H new ATOM 0 HA ARG A 54 2.327 -3.148 -9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.632 -5.038 -11.170 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.266 -4.011 -11.556 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.804 -3.311 -13.180 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.119 -2.133 -11.920 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.931 -3.729 -11.029 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.700 -4.686 -12.479 1.00 0.00 H new ATOM 0 HE ARG A 54 4.920 -2.007 -12.271 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.697 -4.316 -14.647 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.879 -3.827 -15.865 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.544 -1.558 -13.732 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.483 -2.272 -15.347 1.00 0.00 H new ATOM 878 N ARG A 55 -0.847 -2.327 -9.160 1.00 0.00 N ATOM 879 CA ARG A 55 -1.679 -1.172 -8.862 1.00 0.00 C ATOM 880 C ARG A 55 -1.086 -0.451 -7.635 1.00 0.00 C ATOM 881 O ARG A 55 -0.932 0.760 -7.684 1.00 0.00 O ATOM 882 CB ARG A 55 -3.158 -1.570 -8.650 1.00 0.00 C ATOM 883 CG ARG A 55 -4.097 -1.793 -9.864 1.00 0.00 C ATOM 884 CD ARG A 55 -4.824 -0.501 -10.286 1.00 0.00 C ATOM 885 NE ARG A 55 -6.049 -0.672 -11.099 1.00 0.00 N ATOM 886 CZ ARG A 55 -7.088 0.195 -11.095 1.00 0.00 C ATOM 887 NH1 ARG A 55 -6.988 1.388 -10.510 1.00 0.00 N ATOM 888 NH2 ARG A 55 -8.241 -0.140 -11.666 1.00 0.00 N ATOM 0 H ARG A 55 -1.306 -3.226 -9.014 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.679 -0.490 -9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.162 -2.491 -8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.613 -0.798 -8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.516 -2.172 -10.705 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.833 -2.557 -9.615 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.086 0.054 -9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.124 0.117 -10.848 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.114 -1.494 -11.699 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.117 1.661 -10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.782 2.028 -10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.344 -1.053 -12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.022 0.516 -11.661 1.00 0.00 H new ATOM 902 N ILE A 56 -0.720 -1.130 -6.545 1.00 0.00 N ATOM 903 CA ILE A 56 -0.151 -0.448 -5.374 1.00 0.00 C ATOM 904 C ILE A 56 1.124 0.321 -5.765 1.00 0.00 C ATOM 905 O ILE A 56 1.363 1.393 -5.213 1.00 0.00 O ATOM 906 CB ILE A 56 0.048 -1.418 -4.184 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.242 -2.185 -3.793 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.564 -0.672 -2.939 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.571 -1.429 -3.961 1.00 0.00 C ATOM 0 H ILE A 56 -0.805 -2.142 -6.446 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.866 0.294 -5.020 1.00 0.00 H new ATOM 0 HB ILE A 56 0.785 -2.144 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.291 -3.096 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.154 -2.491 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.694 -1.379 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.520 -0.201 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.157 0.092 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.396 -2.072 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.560 -0.532 -3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.699 -1.147 -5.006 1.00 0.00 H new ATOM 921 N SER A 57 1.853 -0.127 -6.792 1.00 0.00 N ATOM 922 CA SER A 57 3.012 0.589 -7.297 1.00 0.00 C ATOM 923 C SER A 57 2.542 1.889 -7.953 1.00 0.00 C ATOM 924 O SER A 57 2.879 2.958 -7.447 1.00 0.00 O ATOM 925 CB SER A 57 3.783 -0.325 -8.250 1.00 0.00 C ATOM 926 OG SER A 57 4.940 0.304 -8.725 1.00 0.00 O ATOM 0 H SER A 57 1.651 -0.994 -7.290 1.00 0.00 H new ATOM 0 HA SER A 57 3.696 0.864 -6.494 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.052 -1.248 -7.736 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.145 -0.602 -9.089 1.00 0.00 H new ATOM 0 HG SER A 57 5.057 0.099 -9.676 1.00 0.00 H new ATOM 932 N TRP A 58 1.688 1.830 -8.985 1.00 0.00 N ATOM 933 CA TRP A 58 1.084 3.014 -9.607 1.00 0.00 C ATOM 934 C TRP A 58 0.537 3.983 -8.553 1.00 0.00 C ATOM 935 O TRP A 58 0.770 5.187 -8.643 1.00 0.00 O ATOM 936 CB TRP A 58 0.000 2.606 -10.626 1.00 0.00 C ATOM 937 CG TRP A 58 -1.229 3.477 -10.686 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.302 4.741 -11.155 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.540 3.218 -10.115 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.583 5.239 -10.989 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.391 4.339 -10.329 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.076 2.159 -9.371 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.718 4.362 -9.860 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.342 2.220 -8.803 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.174 3.302 -9.052 1.00 0.00 C ATOM 0 H TRP A 58 1.396 0.952 -9.414 1.00 0.00 H new ATOM 0 HA TRP A 58 1.866 3.544 -10.151 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.453 2.587 -11.617 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.315 1.587 -10.400 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.480 5.285 -11.596 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.890 6.156 -11.314 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.485 1.265 -9.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.376 5.179 -10.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.681 1.419 -8.163 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.167 3.331 -8.628 1.00 0.00 H new ATOM 956 N ASP A 59 -0.236 3.473 -7.593 1.00 0.00 N ATOM 957 CA ASP A 59 -0.871 4.251 -6.540 1.00 0.00 C ATOM 958 C ASP A 59 0.132 5.152 -5.823 1.00 0.00 C ATOM 959 O ASP A 59 -0.084 6.361 -5.731 1.00 0.00 O ATOM 960 CB ASP A 59 -1.573 3.336 -5.517 1.00 0.00 C ATOM 961 CG ASP A 59 -2.940 2.849 -5.967 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.793 3.676 -6.360 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.321 1.553 -5.841 1.00 0.00 O ATOM 0 H ASP A 59 -0.441 2.476 -7.529 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.619 4.882 -7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.937 2.473 -5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.681 3.875 -4.576 1.00 0.00 H new ATOM 969 N ILE A 60 1.184 4.552 -5.261 1.00 0.00 N ATOM 970 CA ILE A 60 2.280 5.265 -4.620 1.00 0.00 C ATOM 971 C ILE A 60 3.009 6.182 -5.610 1.00 0.00 C ATOM 972 O ILE A 60 3.248 7.337 -5.276 1.00 0.00 O ATOM 973 CB ILE A 60 3.181 4.263 -3.859 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.635 3.877 -2.463 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.602 4.781 -3.639 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.188 3.397 -2.369 1.00 0.00 C ATOM 0 H ILE A 60 1.295 3.538 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 60 1.893 5.950 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 60 3.187 3.392 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.275 3.092 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.743 4.743 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.183 4.032 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.070 4.979 -4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.568 5.702 -3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.949 3.164 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.521 4.181 -2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.061 2.504 -2.980 1.00 0.00 H new ATOM 988 N LEU A 61 3.371 5.698 -6.802 1.00 0.00 N ATOM 989 CA LEU A 61 4.144 6.464 -7.786 1.00 0.00 C ATOM 990 C LEU A 61 3.411 7.731 -8.236 1.00 0.00 C ATOM 991 O LEU A 61 4.047 8.749 -8.475 1.00 0.00 O ATOM 992 CB LEU A 61 4.483 5.594 -9.009 1.00 0.00 C ATOM 993 CG LEU A 61 5.498 4.468 -8.729 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.497 3.478 -9.899 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.924 4.988 -8.527 1.00 0.00 C ATOM 0 H LEU A 61 3.134 4.756 -7.114 1.00 0.00 H new ATOM 0 HA LEU A 61 5.067 6.770 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.563 5.151 -9.390 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.878 6.235 -9.797 1.00 0.00 H new ATOM 0 HG LEU A 61 5.188 3.985 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.214 2.681 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.501 3.050 -10.012 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.775 3.998 -10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.593 4.150 -8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.250 5.513 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.945 5.672 -7.679 1.00 0.00 H new ATOM 1007 N THR A 62 2.080 7.698 -8.334 1.00 0.00 N ATOM 1008 CA THR A 62 1.263 8.875 -8.642 1.00 0.00 C ATOM 1009 C THR A 62 1.014 9.749 -7.399 1.00 0.00 C ATOM 1010 O THR A 62 0.193 10.663 -7.449 1.00 0.00 O ATOM 1011 CB THR A 62 -0.045 8.452 -9.349 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.747 7.406 -8.692 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.246 7.986 -10.780 1.00 0.00 C ATOM 0 H THR A 62 1.534 6.847 -8.201 1.00 0.00 H new ATOM 0 HA THR A 62 1.820 9.505 -9.335 1.00 0.00 H new ATOM 0 HB THR A 62 -0.674 9.342 -9.333 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.329 6.546 -8.907 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.686 7.692 -11.263 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.705 8.800 -11.341 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.926 7.134 -10.754 1.00 0.00 H new ATOM 1021 N GLY A 63 1.692 9.457 -6.282 1.00 0.00 N ATOM 1022 CA GLY A 63 1.537 10.052 -4.963 1.00 0.00 C ATOM 1023 C GLY A 63 0.070 10.283 -4.635 1.00 0.00 C ATOM 1024 O GLY A 63 -0.291 11.313 -4.057 1.00 0.00 O ATOM 0 H GLY A 63 2.419 8.741 -6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.982 9.400 -4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.075 10.999 -4.922 1.00 0.00 H new ATOM 1028 N LYS A 64 -0.771 9.267 -4.848 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.204 9.438 -4.692 1.00 0.00 C ATOM 1030 C LYS A 64 -2.487 9.145 -3.232 1.00 0.00 C ATOM 1031 O LYS A 64 -1.828 8.321 -2.601 1.00 0.00 O ATOM 1032 CB LYS A 64 -2.895 8.509 -5.701 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.418 8.692 -5.822 1.00 0.00 C ATOM 1034 CD LYS A 64 -4.908 8.394 -7.253 1.00 0.00 C ATOM 1035 CE LYS A 64 -4.502 7.007 -7.775 1.00 0.00 C ATOM 1036 NZ LYS A 64 -5.368 5.924 -7.268 1.00 0.00 N ATOM 0 H LYS A 64 -0.481 8.329 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.586 10.436 -4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.447 8.667 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.690 7.476 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.923 8.031 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.686 9.713 -5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.995 8.477 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.514 9.155 -7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.535 7.011 -8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.470 6.804 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.806 5.278 -6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.137 6.332 -6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.771 5.398 -8.069 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.428 9.881 -2.649 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.655 9.752 -1.211 1.00 0.00 C ATOM 1052 C LYS A 65 -4.321 8.409 -0.890 1.00 0.00 C ATOM 1053 O LYS A 65 -5.064 7.890 -1.719 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.397 11.002 -0.702 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.551 12.294 -0.804 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.141 12.228 -0.171 1.00 0.00 C ATOM 1057 CE LYS A 65 -1.060 11.815 -1.189 1.00 0.00 C ATOM 1058 NZ LYS A 65 0.230 11.456 -0.561 1.00 0.00 N ATOM 0 H LYS A 65 -4.028 10.552 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.714 9.723 -0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.316 11.130 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.688 10.847 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.444 12.553 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.103 13.106 -0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.888 13.202 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.149 11.517 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.422 10.966 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.899 12.634 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.965 11.386 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.496 12.188 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.137 10.541 -0.076 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.215 7.909 0.351 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.683 6.585 0.752 1.00 0.00 C ATOM 1074 C PRO A 66 -6.188 6.401 0.625 1.00 0.00 C ATOM 1075 O PRO A 66 -6.622 5.396 0.068 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.201 6.386 2.193 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.956 7.809 2.682 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.430 8.477 1.424 1.00 0.00 C ATOM 0 HA PRO A 66 -4.275 5.829 0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.949 5.875 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.293 5.785 2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.869 8.280 3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.233 7.844 3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.549 9.559 1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.367 8.279 1.285 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.984 7.341 1.146 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.436 7.290 1.016 1.00 0.00 C ATOM 1088 C GLN A 67 -8.813 7.175 -0.464 1.00 0.00 C ATOM 1089 O GLN A 67 -9.634 6.329 -0.811 1.00 0.00 O ATOM 1090 CB GLN A 67 -9.053 8.506 1.735 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.558 8.736 1.477 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.859 9.504 0.182 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.970 10.054 -0.455 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -12.112 9.561 -0.236 1.00 0.00 N ATOM 0 H GLN A 67 -6.640 8.149 1.664 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.848 6.405 1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.900 8.388 2.808 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.509 9.400 1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.062 7.770 1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.981 9.284 2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.849 9.101 0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.341 10.065 -1.093 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.125 7.907 -1.345 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.496 7.943 -2.747 1.00 0.00 C ATOM 1105 C ALA A 68 -7.998 6.670 -3.426 1.00 0.00 C ATOM 1106 O ALA A 68 -8.674 6.161 -4.313 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.889 9.182 -3.414 1.00 0.00 C ATOM 0 H ALA A 68 -7.314 8.477 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.580 7.999 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.171 9.204 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.261 10.080 -2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.803 9.145 -3.330 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.862 6.110 -2.997 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.387 4.827 -3.502 1.00 0.00 C ATOM 1115 C ILE A 69 -7.437 3.749 -3.225 1.00 0.00 C ATOM 1116 O ILE A 69 -7.813 3.027 -4.146 1.00 0.00 O ATOM 1117 CB ILE A 69 -5.004 4.489 -2.888 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.918 5.410 -3.484 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.669 2.998 -3.095 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.600 5.405 -2.705 1.00 0.00 C ATOM 0 H ILE A 69 -6.254 6.533 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.247 4.877 -4.582 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.038 4.668 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.722 5.105 -4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.302 6.430 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.695 2.780 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.429 2.384 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.646 2.775 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.890 6.077 -3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.780 5.740 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.191 4.395 -2.689 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.872 3.607 -1.973 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.837 2.589 -1.586 1.00 0.00 C ATOM 1134 C CYS A 70 -10.168 2.770 -2.321 1.00 0.00 C ATOM 1135 O CYS A 70 -10.749 1.768 -2.725 1.00 0.00 O ATOM 1136 CB CYS A 70 -9.001 2.615 -0.064 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.437 2.349 0.823 1.00 0.00 S ATOM 0 H CYS A 70 -7.562 4.197 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.468 1.606 -1.878 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.423 3.575 0.234 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.716 1.847 0.232 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.658 4.000 -2.505 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.913 4.236 -3.222 1.00 0.00 C ATOM 1144 C VAL A 71 -11.757 3.883 -4.717 1.00 0.00 C ATOM 1145 O VAL A 71 -12.670 3.302 -5.316 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.392 5.686 -2.963 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.647 6.067 -3.760 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.724 5.948 -1.478 1.00 0.00 C ATOM 0 H VAL A 71 -10.203 4.848 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.696 3.577 -2.846 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.545 6.292 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.926 7.095 -3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.442 5.977 -4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.466 5.400 -3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.054 6.980 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.517 5.273 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.835 5.777 -0.871 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.598 4.189 -5.316 1.00 0.00 N ATOM 1159 CA ASP A 72 -10.279 3.944 -6.727 1.00 0.00 C ATOM 1160 C ASP A 72 -10.325 2.450 -7.025 1.00 0.00 C ATOM 1161 O ASP A 72 -11.189 1.991 -7.777 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.891 4.531 -7.021 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.362 4.372 -8.447 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.506 3.302 -9.089 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.555 5.269 -8.781 1.00 0.00 O ATOM 0 H ASP A 72 -9.829 4.630 -4.811 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.014 4.427 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.915 5.595 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.176 4.069 -6.340 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.471 1.671 -6.344 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.321 0.235 -6.618 1.00 0.00 C ATOM 1172 C ILE A 73 -10.464 -0.589 -5.993 1.00 0.00 C ATOM 1173 O ILE A 73 -10.512 -1.809 -6.123 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.918 -0.254 -6.241 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.734 -0.293 -4.714 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.857 0.591 -6.964 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.282 -0.469 -4.296 1.00 0.00 C ATOM 0 H ILE A 73 -8.870 2.015 -5.595 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.413 0.077 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.789 -1.283 -6.578 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.121 0.630 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.327 -1.110 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.863 0.238 -6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.992 0.500 -8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.963 1.636 -6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.216 -0.489 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.898 -1.406 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.690 0.362 -4.680 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.380 0.134 -5.354 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.642 -0.126 -4.748 1.00 0.00 C ATOM 1191 C LYS A 74 -12.626 -1.089 -3.565 1.00 0.00 C ATOM 1192 O LYS A 74 -12.832 -2.294 -3.691 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.517 -0.446 -5.946 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.958 -0.333 -5.533 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.849 -0.013 -6.746 1.00 0.00 C ATOM 1196 CE LYS A 74 -15.930 1.496 -7.100 1.00 0.00 C ATOM 1197 NZ LYS A 74 -14.633 2.235 -7.154 1.00 0.00 N ATOM 0 H LYS A 74 -11.181 1.128 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.050 0.715 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.303 0.241 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.306 -1.451 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.284 -1.266 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.065 0.448 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.473 -0.557 -7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.856 -0.383 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.420 1.594 -8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.572 1.985 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.805 3.218 -7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.190 2.228 -6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.000 1.775 -7.839 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.319 -0.518 -2.402 1.00 0.00 N ATOM 1212 CA ILE A 75 -12.100 -1.164 -1.118 1.00 0.00 C ATOM 1213 C ILE A 75 -12.683 -0.350 0.058 1.00 0.00 C ATOM 1214 O ILE A 75 -12.893 -0.917 1.131 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.563 -1.334 -0.963 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.977 -2.244 -2.074 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -10.142 -1.886 0.410 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.487 -2.576 -1.930 1.00 0.00 C ATOM 0 H ILE A 75 -12.209 0.494 -2.333 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.614 -2.125 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.156 -0.327 -1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.540 -3.177 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.133 -1.759 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.057 -1.979 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.475 -1.206 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.595 -2.865 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.176 -3.216 -2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.906 -1.654 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.319 -3.094 -0.986 1.00 0.00 H new