USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 409 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 NoAdj-H: A 1 ILE H2 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD NoAdj-H: A 1 ILE H3 : A 1 ILE N : A 58 ALA C :(NH2R) USER MOD Single : A 1 ILE N :NH3+ -121:sc= -0.126 (180deg=-0.67) USER MOD Single : A 2 TYR OH : rot 165:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.488 K(o=-0.49,f=-1.9) USER MOD Single : A 11 HIS : no HD1:sc= -0.0543 X(o=-0.054,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.138 (180deg=-0.603) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -41:sc= 0.979 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.965 -0.537 -0.846 1.00 15.05 N ATOM 2 CA ILE A 1 2.364 -0.514 -2.247 1.00 53.52 C ATOM 3 C ILE A 1 1.508 -1.464 -3.078 1.00 43.33 C ATOM 4 O ILE A 1 1.250 -1.214 -4.256 1.00 64.31 O ATOM 5 CB ILE A 1 3.846 -0.894 -2.417 1.00 24.12 C ATOM 6 CG1 ILE A 1 4.736 0.069 -1.628 1.00 20.44 C ATOM 7 CG2 ILE A 1 4.229 -0.891 -3.889 1.00 51.13 C ATOM 8 CD1 ILE A 1 4.683 1.493 -2.134 1.00 14.25 C ATOM 0 H1 ILE A 1 1.680 0.418 -0.551 1.00 15.05 H new ATOM 0 HA ILE A 1 2.217 0.507 -2.600 1.00 53.52 H new ATOM 0 HB ILE A 1 3.994 -1.900 -2.025 1.00 24.12 H new ATOM 0 HG12 ILE A 1 4.435 0.053 -0.580 1.00 20.44 H new ATOM 0 HG13 ILE A 1 5.766 -0.285 -1.670 1.00 20.44 H new ATOM 0 HG21 ILE A 1 5.280 -1.162 -3.992 1.00 51.13 H new ATOM 0 HG22 ILE A 1 3.614 -1.613 -4.426 1.00 51.13 H new ATOM 0 HG23 ILE A 1 4.068 0.104 -4.305 1.00 51.13 H new ATOM 0 HD11 ILE A 1 5.338 2.119 -1.528 1.00 14.25 H new ATOM 0 HD12 ILE A 1 5.012 1.523 -3.173 1.00 14.25 H new ATOM 0 HD13 ILE A 1 3.661 1.865 -2.067 1.00 14.25 H new ATOM 20 N TYR A 2 1.070 -2.553 -2.457 1.00 12.20 N ATOM 21 CA TYR A 2 0.243 -3.541 -3.139 1.00 63.52 C ATOM 22 C TYR A 2 -1.205 -3.070 -3.233 1.00 4.02 C ATOM 23 O TYR A 2 -2.047 -3.733 -3.839 1.00 3.53 O ATOM 24 CB TYR A 2 0.308 -4.883 -2.408 1.00 21.32 C ATOM 25 CG TYR A 2 1.689 -5.499 -2.393 1.00 2.42 C ATOM 26 CD1 TYR A 2 2.650 -5.074 -1.483 1.00 61.41 C ATOM 27 CD2 TYR A 2 2.034 -6.503 -3.288 1.00 74.34 C ATOM 28 CE1 TYR A 2 3.914 -5.633 -1.466 1.00 75.10 C ATOM 29 CE2 TYR A 2 3.294 -7.069 -3.278 1.00 11.34 C ATOM 30 CZ TYR A 2 4.230 -6.630 -2.365 1.00 24.22 C ATOM 31 OH TYR A 2 5.487 -7.190 -2.352 1.00 4.12 O ATOM 0 H TYR A 2 1.274 -2.774 -1.482 1.00 12.20 H new ATOM 0 HA TYR A 2 0.631 -3.666 -4.150 1.00 63.52 H new ATOM 0 HB2 TYR A 2 -0.030 -4.744 -1.381 1.00 21.32 H new ATOM 0 HB3 TYR A 2 -0.386 -5.578 -2.881 1.00 21.32 H new ATOM 0 HD1 TYR A 2 2.405 -4.294 -0.777 1.00 61.41 H new ATOM 0 HD2 TYR A 2 1.304 -6.848 -4.005 1.00 74.34 H new ATOM 0 HE1 TYR A 2 4.650 -5.291 -0.753 1.00 75.10 H new ATOM 0 HE2 TYR A 2 3.545 -7.850 -3.980 1.00 11.34 H new ATOM 0 HH TYR A 2 5.479 -8.023 -2.868 1.00 4.12 H new ATOM 41 N TRP A 3 -1.486 -1.921 -2.629 1.00 45.01 N ATOM 42 CA TRP A 3 -2.831 -1.359 -2.644 1.00 54.01 C ATOM 43 C TRP A 3 -2.893 -0.118 -3.528 1.00 33.12 C ATOM 44 O TRP A 3 -3.909 0.145 -4.173 1.00 5.30 O ATOM 45 CB TRP A 3 -3.277 -1.011 -1.223 1.00 3.22 C ATOM 46 CG TRP A 3 -4.676 -0.478 -1.153 1.00 2.25 C ATOM 47 CD1 TRP A 3 -5.827 -1.207 -1.065 1.00 32.03 C ATOM 48 CD2 TRP A 3 -5.070 0.898 -1.166 1.00 52.52 C ATOM 49 NE1 TRP A 3 -6.914 -0.367 -1.023 1.00 43.20 N ATOM 50 CE2 TRP A 3 -6.476 0.930 -1.083 1.00 30.22 C ATOM 51 CE3 TRP A 3 -4.373 2.107 -1.238 1.00 42.24 C ATOM 52 CZ2 TRP A 3 -7.194 2.122 -1.071 1.00 53.44 C ATOM 53 CZ3 TRP A 3 -5.087 3.290 -1.227 1.00 52.13 C ATOM 54 CH2 TRP A 3 -6.486 3.291 -1.143 1.00 61.05 C ATOM 0 H TRP A 3 -0.800 -1.361 -2.123 1.00 45.01 H new ATOM 0 HA TRP A 3 -3.506 -2.109 -3.055 1.00 54.01 H new ATOM 0 HB2 TRP A 3 -3.203 -1.901 -0.599 1.00 3.22 H new ATOM 0 HB3 TRP A 3 -2.593 -0.272 -0.806 1.00 3.22 H new ATOM 0 HD1 TRP A 3 -5.876 -2.285 -1.033 1.00 32.03 H new ATOM 0 HE1 TRP A 3 -7.888 -0.661 -0.958 1.00 43.20 H new ATOM 0 HE3 TRP A 3 -3.295 2.117 -1.301 1.00 42.24 H new ATOM 0 HZ2 TRP A 3 -8.272 2.125 -1.007 1.00 53.44 H new ATOM 0 HZ3 TRP A 3 -4.558 4.230 -1.284 1.00 52.13 H new ATOM 0 HH2 TRP A 3 -7.015 4.232 -1.135 1.00 61.05 H new ATOM 65 N ILE A 4 -1.803 0.640 -3.553 1.00 4.33 N ATOM 66 CA ILE A 4 -1.734 1.853 -4.359 1.00 60.40 C ATOM 67 C ILE A 4 -1.664 1.521 -5.846 1.00 34.12 C ATOM 68 O ILE A 4 -2.278 2.196 -6.672 1.00 62.40 O ATOM 69 CB ILE A 4 -0.515 2.713 -3.979 1.00 4.31 C ATOM 70 CG1 ILE A 4 -0.693 3.298 -2.576 1.00 62.22 C ATOM 71 CG2 ILE A 4 -0.311 3.823 -4.999 1.00 51.33 C ATOM 72 CD1 ILE A 4 0.378 2.863 -1.600 1.00 51.10 C ATOM 0 H ILE A 4 -0.955 0.436 -3.024 1.00 4.33 H new ATOM 0 HA ILE A 4 -2.644 2.418 -4.157 1.00 60.40 H new ATOM 0 HB ILE A 4 0.372 2.079 -3.978 1.00 4.31 H new ATOM 0 HG12 ILE A 4 -0.693 4.386 -2.642 1.00 62.22 H new ATOM 0 HG13 ILE A 4 -1.668 3.002 -2.189 1.00 62.22 H new ATOM 0 HG21 ILE A 4 0.555 4.422 -4.716 1.00 51.33 H new ATOM 0 HG22 ILE A 4 -0.144 3.386 -5.984 1.00 51.33 H new ATOM 0 HG23 ILE A 4 -1.197 4.457 -5.029 1.00 51.33 H new ATOM 0 HD11 ILE A 4 0.189 3.315 -0.627 1.00 51.10 H new ATOM 0 HD12 ILE A 4 0.364 1.777 -1.505 1.00 51.10 H new ATOM 0 HD13 ILE A 4 1.354 3.183 -1.965 1.00 51.10 H new ATOM 84 N ALA A 5 -0.914 0.476 -6.179 1.00 31.43 N ATOM 85 CA ALA A 5 -0.767 0.051 -7.565 1.00 53.44 C ATOM 86 C ALA A 5 -2.123 -0.264 -8.189 1.00 45.14 C ATOM 87 O ALA A 5 -2.272 -0.251 -9.411 1.00 60.34 O ATOM 88 CB ALA A 5 0.151 -1.159 -7.653 1.00 14.13 C ATOM 0 H ALA A 5 -0.398 -0.092 -5.507 1.00 31.43 H new ATOM 0 HA ALA A 5 -0.320 0.872 -8.125 1.00 53.44 H new ATOM 0 HB1 ALA A 5 0.251 -1.465 -8.694 1.00 14.13 H new ATOM 0 HB2 ALA A 5 1.132 -0.901 -7.255 1.00 14.13 H new ATOM 0 HB3 ALA A 5 -0.272 -1.979 -7.073 1.00 14.13 H new ATOM 94 N ASP A 6 -3.107 -0.547 -7.343 1.00 64.22 N ATOM 95 CA ASP A 6 -4.450 -0.866 -7.812 1.00 52.30 C ATOM 96 C ASP A 6 -5.265 0.405 -8.030 1.00 13.31 C ATOM 97 O ASP A 6 -5.551 0.783 -9.166 1.00 33.42 O ATOM 98 CB ASP A 6 -5.161 -1.776 -6.809 1.00 63.45 C ATOM 99 CG ASP A 6 -4.759 -3.230 -6.962 1.00 62.21 C ATOM 100 OD1 ASP A 6 -3.743 -3.631 -6.357 1.00 21.11 O ATOM 101 OD2 ASP A 6 -5.460 -3.967 -7.687 1.00 63.04 O ATOM 0 H ASP A 6 -3.000 -0.562 -6.329 1.00 64.22 H new ATOM 0 HA ASP A 6 -4.361 -1.388 -8.765 1.00 52.30 H new ATOM 0 HB2 ASP A 6 -4.933 -1.444 -5.796 1.00 63.45 H new ATOM 0 HB3 ASP A 6 -6.239 -1.684 -6.940 1.00 63.45 H new ATOM 106 N GLN A 7 -5.636 1.059 -6.934 1.00 53.41 N ATOM 107 CA GLN A 7 -6.420 2.287 -7.006 1.00 71.23 C ATOM 108 C GLN A 7 -5.746 3.311 -7.913 1.00 62.34 C ATOM 109 O GLN A 7 -6.290 3.691 -8.950 1.00 72.54 O ATOM 110 CB GLN A 7 -6.614 2.876 -5.608 1.00 40.10 C ATOM 111 CG GLN A 7 -7.252 1.909 -4.623 1.00 44.24 C ATOM 112 CD GLN A 7 -8.658 1.510 -5.025 1.00 64.43 C ATOM 113 OE1 GLN A 7 -8.860 0.847 -6.043 1.00 51.13 O ATOM 114 NE2 GLN A 7 -9.639 1.911 -4.226 1.00 2.13 N ATOM 0 H GLN A 7 -5.407 0.760 -5.986 1.00 53.41 H new ATOM 0 HA GLN A 7 -7.395 2.041 -7.428 1.00 71.23 H new ATOM 0 HB2 GLN A 7 -5.646 3.192 -5.219 1.00 40.10 H new ATOM 0 HB3 GLN A 7 -7.235 3.769 -5.682 1.00 40.10 H new ATOM 0 HG2 GLN A 7 -6.633 1.015 -4.545 1.00 44.24 H new ATOM 0 HG3 GLN A 7 -7.277 2.367 -3.634 1.00 44.24 H new ATOM 0 HE21 GLN A 7 -9.426 2.459 -3.392 1.00 2.13 H new ATOM 0 HE22 GLN A 7 -10.606 1.671 -4.446 1.00 2.13 H new ATOM 123 N PHE A 8 -4.558 3.754 -7.516 1.00 41.51 N ATOM 124 CA PHE A 8 -3.809 4.736 -8.293 1.00 35.13 C ATOM 125 C PHE A 8 -3.101 4.072 -9.470 1.00 3.12 C ATOM 126 O PHE A 8 -3.483 4.259 -10.624 1.00 70.41 O ATOM 127 CB PHE A 8 -2.788 5.449 -7.404 1.00 52.34 C ATOM 128 CG PHE A 8 -3.388 6.051 -6.166 1.00 21.13 C ATOM 129 CD1 PHE A 8 -3.620 5.272 -5.043 1.00 44.05 C ATOM 130 CD2 PHE A 8 -3.720 7.395 -6.124 1.00 14.43 C ATOM 131 CE1 PHE A 8 -4.171 5.823 -3.902 1.00 21.42 C ATOM 132 CE2 PHE A 8 -4.272 7.952 -4.985 1.00 25.52 C ATOM 133 CZ PHE A 8 -4.498 7.164 -3.873 1.00 33.00 C ATOM 0 H PHE A 8 -4.093 3.449 -6.661 1.00 41.51 H new ATOM 0 HA PHE A 8 -4.515 5.469 -8.684 1.00 35.13 H new ATOM 0 HB2 PHE A 8 -2.013 4.740 -7.114 1.00 52.34 H new ATOM 0 HB3 PHE A 8 -2.302 6.235 -7.982 1.00 52.34 H new ATOM 0 HD1 PHE A 8 -3.367 4.222 -5.060 1.00 44.05 H new ATOM 0 HD2 PHE A 8 -3.546 8.015 -6.991 1.00 14.43 H new ATOM 0 HE1 PHE A 8 -4.346 5.205 -3.034 1.00 21.42 H new ATOM 0 HE2 PHE A 8 -4.526 9.001 -4.965 1.00 25.52 H new ATOM 0 HZ PHE A 8 -4.930 7.596 -2.982 1.00 33.00 H new ATOM 143 N GLY A 9 -2.064 3.296 -9.168 1.00 11.14 N ATOM 144 CA GLY A 9 -1.317 2.617 -10.210 1.00 73.31 C ATOM 145 C GLY A 9 -0.063 3.369 -10.609 1.00 72.10 C ATOM 146 O GLY A 9 0.044 3.857 -11.734 1.00 61.15 O ATOM 0 H GLY A 9 -1.728 3.126 -8.220 1.00 11.14 H new ATOM 0 HA2 GLY A 9 -1.044 1.619 -9.866 1.00 73.31 H new ATOM 0 HA3 GLY A 9 -1.954 2.489 -11.085 1.00 73.31 H new ATOM 150 N ILE A 10 0.887 3.464 -9.685 1.00 14.52 N ATOM 151 CA ILE A 10 2.139 4.163 -9.946 1.00 53.34 C ATOM 152 C ILE A 10 3.020 3.372 -10.907 1.00 73.11 C ATOM 153 O ILE A 10 3.073 2.143 -10.849 1.00 33.03 O ATOM 154 CB ILE A 10 2.921 4.423 -8.645 1.00 61.34 C ATOM 155 CG1 ILE A 10 1.995 5.004 -7.575 1.00 43.21 C ATOM 156 CG2 ILE A 10 4.090 5.360 -8.908 1.00 42.04 C ATOM 157 CD1 ILE A 10 2.688 5.271 -6.257 1.00 41.52 C ATOM 0 H ILE A 10 0.813 3.066 -8.749 1.00 14.52 H new ATOM 0 HA ILE A 10 1.878 5.119 -10.400 1.00 53.34 H new ATOM 0 HB ILE A 10 3.316 3.475 -8.280 1.00 61.34 H new ATOM 0 HG12 ILE A 10 1.564 5.934 -7.945 1.00 43.21 H new ATOM 0 HG13 ILE A 10 1.168 4.314 -7.408 1.00 43.21 H new ATOM 0 HG21 ILE A 10 4.633 5.534 -7.979 1.00 42.04 H new ATOM 0 HG22 ILE A 10 4.760 4.910 -9.641 1.00 42.04 H new ATOM 0 HG23 ILE A 10 3.716 6.309 -9.293 1.00 42.04 H new ATOM 0 HD11 ILE A 10 1.971 5.682 -5.546 1.00 41.52 H new ATOM 0 HD12 ILE A 10 3.095 4.339 -5.865 1.00 41.52 H new ATOM 0 HD13 ILE A 10 3.498 5.985 -6.410 1.00 41.52 H new ATOM 169 N HIS A 11 3.712 4.085 -11.790 1.00 72.43 N ATOM 170 CA HIS A 11 4.594 3.449 -12.763 1.00 35.11 C ATOM 171 C HIS A 11 5.889 2.989 -12.102 1.00 64.31 C ATOM 172 O HIS A 11 6.962 3.534 -12.367 1.00 55.21 O ATOM 173 CB HIS A 11 4.906 4.414 -13.907 1.00 74.01 C ATOM 174 CG HIS A 11 5.417 3.735 -15.140 1.00 41.43 C ATOM 175 ND1 HIS A 11 5.910 4.424 -16.229 1.00 23.24 N ATOM 176 CD2 HIS A 11 5.512 2.422 -15.453 1.00 71.14 C ATOM 177 CE1 HIS A 11 6.285 3.563 -17.158 1.00 54.34 C ATOM 178 NE2 HIS A 11 6.054 2.342 -16.713 1.00 32.54 N ATOM 0 H HIS A 11 3.679 5.103 -11.852 1.00 72.43 H new ATOM 0 HA HIS A 11 4.082 2.575 -13.165 1.00 35.11 H new ATOM 0 HB2 HIS A 11 4.004 4.972 -14.157 1.00 74.01 H new ATOM 0 HB3 HIS A 11 5.646 5.139 -13.568 1.00 74.01 H new ATOM 0 HD2 HIS A 11 5.217 1.592 -14.829 1.00 71.14 H new ATOM 0 HE1 HIS A 11 6.709 3.815 -18.119 1.00 54.34 H new ATOM 0 HE2 HIS A 11 6.247 1.479 -17.222 1.00 32.54 H new ATOM 186 N LEU A 12 5.784 1.983 -11.241 1.00 34.03 N ATOM 187 CA LEU A 12 6.947 1.449 -10.541 1.00 1.41 C ATOM 188 C LEU A 12 7.967 0.891 -11.528 1.00 22.43 C ATOM 189 O LEU A 12 7.606 0.388 -12.591 1.00 52.44 O ATOM 190 CB LEU A 12 6.520 0.357 -9.559 1.00 14.54 C ATOM 191 CG LEU A 12 7.047 0.496 -8.130 1.00 32.00 C ATOM 192 CD1 LEU A 12 8.560 0.343 -8.102 1.00 53.41 C ATOM 193 CD2 LEU A 12 6.633 1.835 -7.536 1.00 71.42 C ATOM 0 H LEU A 12 4.905 1.520 -11.011 1.00 34.03 H new ATOM 0 HA LEU A 12 7.413 2.264 -9.987 1.00 1.41 H new ATOM 0 HB2 LEU A 12 5.431 0.335 -9.523 1.00 14.54 H new ATOM 0 HB3 LEU A 12 6.846 -0.606 -9.953 1.00 14.54 H new ATOM 0 HG LEU A 12 6.611 -0.298 -7.524 1.00 32.00 H new ATOM 0 HD11 LEU A 12 8.917 0.445 -7.077 1.00 53.41 H new ATOM 0 HD12 LEU A 12 8.833 -0.640 -8.486 1.00 53.41 H new ATOM 0 HD13 LEU A 12 9.015 1.114 -8.723 1.00 53.41 H new ATOM 0 HD21 LEU A 12 7.017 1.916 -6.519 1.00 71.42 H new ATOM 0 HD22 LEU A 12 7.040 2.644 -8.143 1.00 71.42 H new ATOM 0 HD23 LEU A 12 5.545 1.905 -7.520 1.00 71.42 H new ATOM 205 N ALA A 13 9.243 0.980 -11.166 1.00 71.12 N ATOM 206 CA ALA A 13 10.315 0.480 -12.018 1.00 30.54 C ATOM 207 C ALA A 13 10.392 -1.043 -11.965 1.00 44.54 C ATOM 208 O ALA A 13 11.231 -1.609 -11.263 1.00 51.23 O ATOM 209 CB ALA A 13 11.646 1.092 -11.606 1.00 15.02 C ATOM 0 H ALA A 13 9.559 1.394 -10.289 1.00 71.12 H new ATOM 0 HA ALA A 13 10.096 0.772 -13.045 1.00 30.54 H new ATOM 0 HB1 ALA A 13 12.437 0.710 -12.251 1.00 15.02 H new ATOM 0 HB2 ALA A 13 11.593 2.177 -11.701 1.00 15.02 H new ATOM 0 HB3 ALA A 13 11.863 0.829 -10.571 1.00 15.02 H new ATOM 215 N THR A 14 9.512 -1.701 -12.713 1.00 31.34 N ATOM 216 CA THR A 14 9.479 -3.158 -12.750 1.00 4.11 C ATOM 217 C THR A 14 10.731 -3.719 -13.414 1.00 45.00 C ATOM 218 O THR A 14 11.092 -4.876 -13.204 1.00 20.33 O ATOM 219 CB THR A 14 8.238 -3.673 -13.503 1.00 1.03 C ATOM 220 OG1 THR A 14 8.124 -5.092 -13.347 1.00 4.12 O ATOM 221 CG2 THR A 14 8.319 -3.325 -14.981 1.00 51.03 C ATOM 0 H THR A 14 8.813 -1.248 -13.301 1.00 31.34 H new ATOM 0 HA THR A 14 9.435 -3.500 -11.716 1.00 4.11 H new ATOM 0 HB THR A 14 7.357 -3.190 -13.080 1.00 1.03 H new ATOM 0 HG1 THR A 14 7.332 -5.411 -13.827 1.00 4.12 H new ATOM 0 HG21 THR A 14 7.432 -3.699 -15.492 1.00 51.03 H new ATOM 0 HG22 THR A 14 8.376 -2.243 -15.097 1.00 51.03 H new ATOM 0 HG23 THR A 14 9.208 -3.784 -15.415 1.00 51.03 H new ATOM 229 N GLY A 15 11.392 -2.890 -14.217 1.00 61.21 N ATOM 230 CA GLY A 15 12.598 -3.322 -14.899 1.00 72.34 C ATOM 231 C GLY A 15 13.615 -3.928 -13.952 1.00 52.52 C ATOM 232 O GLY A 15 14.357 -4.838 -14.324 1.00 13.44 O ATOM 0 H GLY A 15 11.114 -1.927 -14.407 1.00 61.21 H new ATOM 0 HA2 GLY A 15 12.337 -4.054 -15.663 1.00 72.34 H new ATOM 0 HA3 GLY A 15 13.046 -2.471 -15.412 1.00 72.34 H new ATOM 236 N THR A 16 13.652 -3.421 -12.724 1.00 0.24 N ATOM 237 CA THR A 16 14.587 -3.915 -11.721 1.00 44.11 C ATOM 238 C THR A 16 13.850 -4.504 -10.524 1.00 11.41 C ATOM 239 O THR A 16 14.307 -5.471 -9.916 1.00 0.12 O ATOM 240 CB THR A 16 15.528 -2.798 -11.231 1.00 41.35 C ATOM 241 OG1 THR A 16 16.147 -2.153 -12.350 1.00 55.43 O ATOM 242 CG2 THR A 16 16.599 -3.358 -10.307 1.00 74.13 C ATOM 0 H THR A 16 13.045 -2.668 -12.400 1.00 0.24 H new ATOM 0 HA THR A 16 15.179 -4.695 -12.199 1.00 44.11 H new ATOM 0 HB THR A 16 14.935 -2.072 -10.675 1.00 41.35 H new ATOM 0 HG1 THR A 16 16.742 -1.443 -12.030 1.00 55.43 H new ATOM 0 HG21 THR A 16 17.251 -2.550 -9.974 1.00 74.13 H new ATOM 0 HG22 THR A 16 16.126 -3.823 -9.442 1.00 74.13 H new ATOM 0 HG23 THR A 16 17.188 -4.103 -10.842 1.00 74.13 H new ATOM 250 N ALA A 17 12.706 -3.914 -10.191 1.00 62.30 N ATOM 251 CA ALA A 17 11.904 -4.383 -9.068 1.00 0.22 C ATOM 252 C ALA A 17 11.540 -5.855 -9.229 1.00 51.25 C ATOM 253 O ALA A 17 11.273 -6.549 -8.249 1.00 24.35 O ATOM 254 CB ALA A 17 10.646 -3.538 -8.929 1.00 22.11 C ATOM 0 H ALA A 17 12.314 -3.111 -10.683 1.00 62.30 H new ATOM 0 HA ALA A 17 12.499 -4.281 -8.161 1.00 0.22 H new ATOM 0 HB1 ALA A 17 10.056 -3.899 -8.086 1.00 22.11 H new ATOM 0 HB2 ALA A 17 10.923 -2.498 -8.758 1.00 22.11 H new ATOM 0 HB3 ALA A 17 10.056 -3.611 -9.843 1.00 22.11 H new ATOM 260 N ARG A 18 11.530 -6.324 -10.473 1.00 12.02 N ATOM 261 CA ARG A 18 11.196 -7.713 -10.762 1.00 63.34 C ATOM 262 C ARG A 18 12.041 -8.663 -9.918 1.00 1.32 C ATOM 263 O ARG A 18 11.521 -9.593 -9.302 1.00 11.05 O ATOM 264 CB ARG A 18 11.406 -8.011 -12.248 1.00 62.51 C ATOM 265 CG ARG A 18 10.176 -7.748 -13.102 1.00 25.42 C ATOM 266 CD ARG A 18 9.079 -8.763 -12.825 1.00 34.50 C ATOM 267 NE ARG A 18 9.193 -9.941 -13.682 1.00 13.51 N ATOM 268 CZ ARG A 18 8.197 -10.793 -13.896 1.00 53.01 C ATOM 269 NH1 ARG A 18 7.019 -10.600 -13.319 1.00 53.32 N ATOM 270 NH2 ARG A 18 8.378 -11.841 -14.689 1.00 71.24 N ATOM 0 H ARG A 18 11.749 -5.763 -11.296 1.00 12.02 H new ATOM 0 HA ARG A 18 10.147 -7.868 -10.511 1.00 63.34 H new ATOM 0 HB2 ARG A 18 12.232 -7.404 -12.618 1.00 62.51 H new ATOM 0 HB3 ARG A 18 11.701 -9.054 -12.363 1.00 62.51 H new ATOM 0 HG2 ARG A 18 9.802 -6.743 -12.904 1.00 25.42 H new ATOM 0 HG3 ARG A 18 10.449 -7.784 -14.157 1.00 25.42 H new ATOM 0 HD2 ARG A 18 9.124 -9.069 -11.780 1.00 34.50 H new ATOM 0 HD3 ARG A 18 8.106 -8.296 -12.978 1.00 34.50 H new ATOM 0 HE ARG A 18 10.086 -10.119 -14.141 1.00 13.51 H new ATOM 0 HH11 ARG A 18 6.876 -9.795 -12.709 1.00 53.32 H new ATOM 0 HH12 ARG A 18 6.256 -11.256 -13.485 1.00 53.32 H new ATOM 0 HH21 ARG A 18 9.283 -11.993 -15.135 1.00 71.24 H new ATOM 0 HH22 ARG A 18 7.612 -12.495 -14.853 1.00 71.24 H new ATOM 284 N LYS A 19 13.348 -8.422 -9.894 1.00 54.24 N ATOM 285 CA LYS A 19 14.266 -9.254 -9.126 1.00 12.44 C ATOM 286 C LYS A 19 14.102 -9.005 -7.630 1.00 4.04 C ATOM 287 O LYS A 19 14.405 -9.872 -6.809 1.00 23.30 O ATOM 288 CB LYS A 19 15.711 -8.976 -9.545 1.00 1.52 C ATOM 289 CG LYS A 19 16.076 -9.564 -10.897 1.00 1.51 C ATOM 290 CD LYS A 19 15.898 -8.548 -12.013 1.00 40.00 C ATOM 291 CE LYS A 19 17.192 -7.802 -12.300 1.00 23.31 C ATOM 292 NZ LYS A 19 17.382 -6.647 -11.380 1.00 42.31 N ATOM 0 H LYS A 19 13.795 -7.656 -10.398 1.00 54.24 H new ATOM 0 HA LYS A 19 14.030 -10.298 -9.331 1.00 12.44 H new ATOM 0 HB2 LYS A 19 15.872 -7.898 -9.572 1.00 1.52 H new ATOM 0 HB3 LYS A 19 16.384 -9.380 -8.789 1.00 1.52 H new ATOM 0 HG2 LYS A 19 17.110 -9.908 -10.878 1.00 1.51 H new ATOM 0 HG3 LYS A 19 15.454 -10.437 -11.095 1.00 1.51 H new ATOM 0 HD2 LYS A 19 15.561 -9.055 -12.917 1.00 40.00 H new ATOM 0 HD3 LYS A 19 15.120 -7.836 -11.738 1.00 40.00 H new ATOM 0 HE2 LYS A 19 18.035 -8.486 -12.203 1.00 23.31 H new ATOM 0 HE3 LYS A 19 17.186 -7.448 -13.331 1.00 23.31 H new ATOM 0 HZ1 LYS A 19 18.086 -5.996 -11.781 1.00 42.31 H new ATOM 0 HZ2 LYS A 19 16.478 -6.147 -11.259 1.00 42.31 H new ATOM 0 HZ3 LYS A 19 17.714 -6.990 -10.456 1.00 42.31 H new ATOM 306 N LEU A 20 13.621 -7.817 -7.281 1.00 50.12 N ATOM 307 CA LEU A 20 13.416 -7.455 -5.883 1.00 54.30 C ATOM 308 C LEU A 20 12.218 -8.196 -5.299 1.00 35.23 C ATOM 309 O LEU A 20 12.286 -8.734 -4.193 1.00 13.14 O ATOM 310 CB LEU A 20 13.209 -5.945 -5.752 1.00 53.20 C ATOM 311 CG LEU A 20 14.469 -5.084 -5.842 1.00 64.25 C ATOM 312 CD1 LEU A 20 14.107 -3.633 -6.117 1.00 75.10 C ATOM 313 CD2 LEU A 20 15.286 -5.199 -4.564 1.00 3.13 C ATOM 0 H LEU A 20 13.366 -7.088 -7.947 1.00 50.12 H new ATOM 0 HA LEU A 20 14.306 -7.744 -5.324 1.00 54.30 H new ATOM 0 HB2 LEU A 20 12.518 -5.624 -6.531 1.00 53.20 H new ATOM 0 HB3 LEU A 20 12.725 -5.747 -4.796 1.00 53.20 H new ATOM 0 HG LEU A 20 15.075 -5.448 -6.671 1.00 64.25 H new ATOM 0 HD11 LEU A 20 15.017 -3.036 -6.178 1.00 75.10 H new ATOM 0 HD12 LEU A 20 13.565 -3.566 -7.061 1.00 75.10 H new ATOM 0 HD13 LEU A 20 13.479 -3.256 -5.310 1.00 75.10 H new ATOM 0 HD21 LEU A 20 16.179 -4.580 -4.646 1.00 3.13 H new ATOM 0 HD22 LEU A 20 14.687 -4.862 -3.718 1.00 3.13 H new ATOM 0 HD23 LEU A 20 15.578 -6.238 -4.411 1.00 3.13 H new ATOM 325 N LEU A 21 11.122 -8.223 -6.049 1.00 73.22 N ATOM 326 CA LEU A 21 9.908 -8.901 -5.607 1.00 61.30 C ATOM 327 C LEU A 21 10.174 -10.381 -5.349 1.00 41.05 C ATOM 328 O LEU A 21 9.414 -11.045 -4.645 1.00 74.21 O ATOM 329 CB LEU A 21 8.803 -8.745 -6.653 1.00 11.51 C ATOM 330 CG LEU A 21 7.868 -7.549 -6.468 1.00 3.43 C ATOM 331 CD1 LEU A 21 7.161 -7.217 -7.773 1.00 1.25 C ATOM 332 CD2 LEU A 21 6.856 -7.828 -5.366 1.00 70.35 C ATOM 0 H LEU A 21 11.049 -7.783 -6.966 1.00 73.22 H new ATOM 0 HA LEU A 21 9.584 -8.441 -4.674 1.00 61.30 H new ATOM 0 HB2 LEU A 21 9.269 -8.668 -7.636 1.00 11.51 H new ATOM 0 HB3 LEU A 21 8.202 -9.654 -6.655 1.00 11.51 H new ATOM 0 HG LEU A 21 8.466 -6.687 -6.174 1.00 3.43 H new ATOM 0 HD11 LEU A 21 6.500 -6.364 -7.622 1.00 1.25 H new ATOM 0 HD12 LEU A 21 7.901 -6.973 -8.536 1.00 1.25 H new ATOM 0 HD13 LEU A 21 6.575 -8.077 -8.098 1.00 1.25 H new ATOM 0 HD21 LEU A 21 6.199 -6.966 -5.248 1.00 70.35 H new ATOM 0 HD22 LEU A 21 6.262 -8.703 -5.630 1.00 70.35 H new ATOM 0 HD23 LEU A 21 7.381 -8.015 -4.429 1.00 70.35 H new ATOM 344 N ASP A 22 11.259 -10.890 -5.923 1.00 31.12 N ATOM 345 CA ASP A 22 11.628 -12.291 -5.753 1.00 14.22 C ATOM 346 C ASP A 22 12.602 -12.459 -4.591 1.00 71.01 C ATOM 347 O ASP A 22 13.219 -13.512 -4.433 1.00 42.14 O ATOM 348 CB ASP A 22 12.249 -12.836 -7.039 1.00 65.33 C ATOM 349 CG ASP A 22 12.317 -14.351 -7.053 1.00 3.24 C ATOM 350 OD1 ASP A 22 11.309 -14.987 -7.426 1.00 3.01 O ATOM 351 OD2 ASP A 22 13.379 -14.900 -6.690 1.00 54.15 O ATOM 0 H ASP A 22 11.898 -10.354 -6.510 1.00 31.12 H new ATOM 0 HA ASP A 22 10.723 -12.855 -5.529 1.00 14.22 H new ATOM 0 HB2 ASP A 22 11.666 -12.494 -7.894 1.00 65.33 H new ATOM 0 HB3 ASP A 22 13.254 -12.429 -7.155 1.00 65.33 H new ATOM 356 N ALA A 23 12.735 -11.414 -3.781 1.00 42.22 N ATOM 357 CA ALA A 23 13.633 -11.446 -2.634 1.00 24.23 C ATOM 358 C ALA A 23 12.985 -10.806 -1.411 1.00 21.53 C ATOM 359 O ALA A 23 13.114 -11.308 -0.294 1.00 12.44 O ATOM 360 CB ALA A 23 14.942 -10.745 -2.968 1.00 13.25 C ATOM 0 H ALA A 23 12.232 -10.535 -3.898 1.00 42.22 H new ATOM 0 HA ALA A 23 13.843 -12.489 -2.397 1.00 24.23 H new ATOM 0 HB1 ALA A 23 15.603 -10.777 -2.102 1.00 13.25 H new ATOM 0 HB2 ALA A 23 15.420 -11.248 -3.808 1.00 13.25 H new ATOM 0 HB3 ALA A 23 14.741 -9.707 -3.234 1.00 13.25 H new ATOM 366 N VAL A 24 12.288 -9.696 -1.629 1.00 42.30 N ATOM 367 CA VAL A 24 11.619 -8.987 -0.544 1.00 62.44 C ATOM 368 C VAL A 24 10.518 -9.842 0.074 1.00 65.23 C ATOM 369 O VAL A 24 10.258 -9.764 1.274 1.00 62.21 O ATOM 370 CB VAL A 24 11.010 -7.660 -1.033 1.00 12.22 C ATOM 371 CG1 VAL A 24 12.094 -6.744 -1.579 1.00 51.45 C ATOM 372 CG2 VAL A 24 9.940 -7.919 -2.083 1.00 22.51 C ATOM 0 H VAL A 24 12.172 -9.268 -2.547 1.00 42.30 H new ATOM 0 HA VAL A 24 12.376 -8.774 0.210 1.00 62.44 H new ATOM 0 HB VAL A 24 10.540 -7.162 -0.185 1.00 12.22 H new ATOM 0 HG11 VAL A 24 11.645 -5.811 -1.920 1.00 51.45 H new ATOM 0 HG12 VAL A 24 12.820 -6.532 -0.794 1.00 51.45 H new ATOM 0 HG13 VAL A 24 12.595 -7.232 -2.415 1.00 51.45 H new ATOM 0 HG21 VAL A 24 9.521 -6.970 -2.417 1.00 22.51 H new ATOM 0 HG22 VAL A 24 10.382 -8.439 -2.933 1.00 22.51 H new ATOM 0 HG23 VAL A 24 9.149 -8.534 -1.653 1.00 22.51 H new ATOM 382 N ALA A 25 9.875 -10.658 -0.755 1.00 23.53 N ATOM 383 CA ALA A 25 8.804 -11.530 -0.289 1.00 70.42 C ATOM 384 C ALA A 25 9.305 -12.491 0.784 1.00 0.10 C ATOM 385 O ALA A 25 8.523 -13.010 1.580 1.00 73.31 O ATOM 386 CB ALA A 25 8.208 -12.304 -1.456 1.00 45.02 C ATOM 0 H ALA A 25 10.077 -10.733 -1.752 1.00 23.53 H new ATOM 0 HA ALA A 25 8.028 -10.906 0.153 1.00 70.42 H new ATOM 0 HB1 ALA A 25 7.409 -12.951 -1.093 1.00 45.02 H new ATOM 0 HB2 ALA A 25 7.804 -11.605 -2.188 1.00 45.02 H new ATOM 0 HB3 ALA A 25 8.983 -12.911 -1.924 1.00 45.02 H new ATOM 392 N SER A 26 10.614 -12.723 0.799 1.00 33.15 N ATOM 393 CA SER A 26 11.218 -13.625 1.772 1.00 25.25 C ATOM 394 C SER A 26 11.843 -12.843 2.924 1.00 13.10 C ATOM 395 O SER A 26 11.930 -13.335 4.048 1.00 13.43 O ATOM 396 CB SER A 26 12.280 -14.498 1.100 1.00 73.04 C ATOM 397 OG SER A 26 12.472 -15.708 1.812 1.00 14.10 O ATOM 0 H SER A 26 11.276 -12.299 0.149 1.00 33.15 H new ATOM 0 HA SER A 26 10.432 -14.265 2.173 1.00 25.25 H new ATOM 0 HB2 SER A 26 11.979 -14.719 0.076 1.00 73.04 H new ATOM 0 HB3 SER A 26 13.222 -13.952 1.044 1.00 73.04 H new ATOM 0 HG SER A 26 13.154 -16.248 1.361 1.00 14.10 H new ATOM 403 N GLY A 27 12.276 -11.620 2.634 1.00 43.20 N ATOM 404 CA GLY A 27 12.887 -10.788 3.654 1.00 23.02 C ATOM 405 C GLY A 27 13.206 -9.394 3.151 1.00 1.04 C ATOM 406 O GLY A 27 14.355 -9.090 2.831 1.00 32.04 O ATOM 0 H GLY A 27 12.215 -11.191 1.711 1.00 43.20 H new ATOM 0 HA2 GLY A 27 12.216 -10.717 4.510 1.00 23.02 H new ATOM 0 HA3 GLY A 27 13.803 -11.263 4.005 1.00 23.02 H new ATOM 410 N ALA A 28 12.186 -8.545 3.080 1.00 3.21 N ATOM 411 CA ALA A 28 12.364 -7.176 2.613 1.00 53.51 C ATOM 412 C ALA A 28 13.105 -6.334 3.647 1.00 70.44 C ATOM 413 O ALA A 28 12.489 -5.617 4.435 1.00 72.24 O ATOM 414 CB ALA A 28 11.015 -6.549 2.289 1.00 23.50 C ATOM 0 H ALA A 28 11.228 -8.781 3.340 1.00 3.21 H new ATOM 0 HA ALA A 28 12.967 -7.204 1.706 1.00 53.51 H new ATOM 0 HB1 ALA A 28 11.163 -5.527 1.941 1.00 23.50 H new ATOM 0 HB2 ALA A 28 10.522 -7.129 1.509 1.00 23.50 H new ATOM 0 HB3 ALA A 28 10.393 -6.541 3.184 1.00 23.50 H new ATOM 420 N SER A 29 14.431 -6.428 3.638 1.00 31.01 N ATOM 421 CA SER A 29 15.256 -5.679 4.578 1.00 0.24 C ATOM 422 C SER A 29 16.347 -4.903 3.846 1.00 74.22 C ATOM 423 O SER A 29 17.279 -4.386 4.463 1.00 33.13 O ATOM 424 CB SER A 29 15.887 -6.625 5.602 1.00 41.21 C ATOM 425 OG SER A 29 17.094 -7.179 5.108 1.00 42.21 O ATOM 0 H SER A 29 14.956 -7.015 2.990 1.00 31.01 H new ATOM 0 HA SER A 29 14.615 -4.967 5.098 1.00 0.24 H new ATOM 0 HB2 SER A 29 16.083 -6.085 6.528 1.00 41.21 H new ATOM 0 HB3 SER A 29 15.187 -7.425 5.842 1.00 41.21 H new ATOM 0 HG SER A 29 17.478 -7.778 5.781 1.00 42.21 H new ATOM 431 N LEU A 30 16.224 -4.826 2.525 1.00 35.34 N ATOM 432 CA LEU A 30 17.198 -4.114 1.706 1.00 0.13 C ATOM 433 C LEU A 30 17.255 -2.638 2.087 1.00 15.04 C ATOM 434 O LEU A 30 16.237 -2.033 2.422 1.00 32.43 O ATOM 435 CB LEU A 30 16.849 -4.257 0.224 1.00 41.42 C ATOM 436 CG LEU A 30 17.780 -5.144 -0.603 1.00 25.25 C ATOM 437 CD1 LEU A 30 19.224 -4.690 -0.452 1.00 11.42 C ATOM 438 CD2 LEU A 30 17.633 -6.602 -0.190 1.00 54.45 C ATOM 0 H LEU A 30 15.459 -5.248 1.999 1.00 35.34 H new ATOM 0 HA LEU A 30 18.179 -4.555 1.886 1.00 0.13 H new ATOM 0 HB2 LEU A 30 15.837 -4.655 0.147 1.00 41.42 H new ATOM 0 HB3 LEU A 30 16.835 -3.263 -0.223 1.00 41.42 H new ATOM 0 HG LEU A 30 17.499 -5.053 -1.652 1.00 25.25 H new ATOM 0 HD11 LEU A 30 19.872 -5.333 -1.048 1.00 11.42 H new ATOM 0 HD12 LEU A 30 19.319 -3.660 -0.796 1.00 11.42 H new ATOM 0 HD13 LEU A 30 19.517 -4.751 0.596 1.00 11.42 H new ATOM 0 HD21 LEU A 30 18.303 -7.219 -0.789 1.00 54.45 H new ATOM 0 HD22 LEU A 30 17.887 -6.709 0.865 1.00 54.45 H new ATOM 0 HD23 LEU A 30 16.604 -6.923 -0.350 1.00 54.45 H new ATOM 450 N GLY A 31 18.452 -2.063 2.032 1.00 42.13 N ATOM 451 CA GLY A 31 18.619 -0.662 2.372 1.00 52.14 C ATOM 452 C GLY A 31 19.182 0.150 1.222 1.00 10.44 C ATOM 453 O GLY A 31 19.033 1.372 1.183 1.00 10.34 O ATOM 0 H GLY A 31 19.310 -2.542 1.758 1.00 42.13 H new ATOM 0 HA2 GLY A 31 17.656 -0.246 2.669 1.00 52.14 H new ATOM 0 HA3 GLY A 31 19.283 -0.577 3.232 1.00 52.14 H new ATOM 457 N THR A 32 19.833 -0.528 0.283 1.00 63.41 N ATOM 458 CA THR A 32 20.423 0.138 -0.871 1.00 64.10 C ATOM 459 C THR A 32 19.621 -0.141 -2.137 1.00 22.11 C ATOM 460 O THR A 32 19.397 0.754 -2.951 1.00 11.12 O ATOM 461 CB THR A 32 21.881 -0.308 -1.092 1.00 43.52 C ATOM 462 OG1 THR A 32 22.580 -0.337 0.158 1.00 54.44 O ATOM 463 CG2 THR A 32 22.594 0.630 -2.055 1.00 54.31 C ATOM 0 H THR A 32 19.965 -1.539 0.299 1.00 63.41 H new ATOM 0 HA THR A 32 20.405 1.208 -0.662 1.00 64.10 H new ATOM 0 HB THR A 32 21.870 -1.308 -1.525 1.00 43.52 H new ATOM 0 HG1 THR A 32 23.505 -0.623 0.009 1.00 54.44 H new ATOM 0 HG21 THR A 32 23.622 0.295 -2.195 1.00 54.31 H new ATOM 0 HG22 THR A 32 22.077 0.628 -3.015 1.00 54.31 H new ATOM 0 HG23 THR A 32 22.595 1.640 -1.646 1.00 54.31 H new ATOM 471 N ALA A 33 19.191 -1.388 -2.296 1.00 73.40 N ATOM 472 CA ALA A 33 18.411 -1.784 -3.462 1.00 34.30 C ATOM 473 C ALA A 33 16.980 -1.265 -3.367 1.00 71.24 C ATOM 474 O ALA A 33 16.305 -1.087 -4.382 1.00 20.43 O ATOM 475 CB ALA A 33 18.416 -3.298 -3.611 1.00 70.42 C ATOM 0 H ALA A 33 19.370 -2.141 -1.632 1.00 73.40 H new ATOM 0 HA ALA A 33 18.873 -1.341 -4.345 1.00 34.30 H new ATOM 0 HB1 ALA A 33 17.830 -3.579 -4.486 1.00 70.42 H new ATOM 0 HB2 ALA A 33 19.441 -3.648 -3.733 1.00 70.42 H new ATOM 0 HB3 ALA A 33 17.981 -3.753 -2.721 1.00 70.42 H new ATOM 481 N PHE A 34 16.523 -1.024 -2.143 1.00 74.21 N ATOM 482 CA PHE A 34 15.171 -0.527 -1.916 1.00 54.12 C ATOM 483 C PHE A 34 15.120 0.992 -2.052 1.00 51.04 C ATOM 484 O PHE A 34 14.079 1.562 -2.378 1.00 1.20 O ATOM 485 CB PHE A 34 14.678 -0.943 -0.529 1.00 12.44 C ATOM 486 CG PHE A 34 13.200 -1.204 -0.471 1.00 12.01 C ATOM 487 CD1 PHE A 34 12.636 -2.235 -1.205 1.00 22.32 C ATOM 488 CD2 PHE A 34 12.374 -0.419 0.318 1.00 43.13 C ATOM 489 CE1 PHE A 34 11.276 -2.477 -1.154 1.00 64.30 C ATOM 490 CE2 PHE A 34 11.014 -0.656 0.373 1.00 73.52 C ATOM 491 CZ PHE A 34 10.464 -1.688 -0.363 1.00 44.23 C ATOM 0 H PHE A 34 17.069 -1.165 -1.293 1.00 74.21 H new ATOM 0 HA PHE A 34 14.518 -0.964 -2.672 1.00 54.12 H new ATOM 0 HB2 PHE A 34 15.210 -1.842 -0.218 1.00 12.44 H new ATOM 0 HB3 PHE A 34 14.929 -0.160 0.187 1.00 12.44 H new ATOM 0 HD1 PHE A 34 13.266 -2.857 -1.824 1.00 22.32 H new ATOM 0 HD2 PHE A 34 12.799 0.388 0.897 1.00 43.13 H new ATOM 0 HE1 PHE A 34 10.849 -3.283 -1.732 1.00 64.30 H new ATOM 0 HE2 PHE A 34 10.382 -0.035 0.990 1.00 73.52 H new ATOM 0 HZ PHE A 34 9.402 -1.877 -0.320 1.00 44.23 H new ATOM 501 N ALA A 35 16.252 1.641 -1.800 1.00 71.11 N ATOM 502 CA ALA A 35 16.338 3.093 -1.896 1.00 32.24 C ATOM 503 C ALA A 35 16.577 3.535 -3.335 1.00 53.13 C ATOM 504 O ALA A 35 16.300 4.678 -3.697 1.00 51.24 O ATOM 505 CB ALA A 35 17.443 3.617 -0.990 1.00 73.22 C ATOM 0 H ALA A 35 17.122 1.184 -1.528 1.00 71.11 H new ATOM 0 HA ALA A 35 15.386 3.511 -1.569 1.00 32.24 H new ATOM 0 HB1 ALA A 35 17.496 4.703 -1.072 1.00 73.22 H new ATOM 0 HB2 ALA A 35 17.229 3.341 0.042 1.00 73.22 H new ATOM 0 HB3 ALA A 35 18.397 3.183 -1.291 1.00 73.22 H new ATOM 511 N ALA A 36 17.093 2.622 -4.152 1.00 13.41 N ATOM 512 CA ALA A 36 17.368 2.918 -5.552 1.00 55.54 C ATOM 513 C ALA A 36 16.105 2.792 -6.398 1.00 51.22 C ATOM 514 O ALA A 36 16.111 3.104 -7.589 1.00 51.24 O ATOM 515 CB ALA A 36 18.455 1.996 -6.083 1.00 42.43 C ATOM 0 H ALA A 36 17.329 1.671 -3.868 1.00 13.41 H new ATOM 0 HA ALA A 36 17.717 3.948 -5.618 1.00 55.54 H new ATOM 0 HB1 ALA A 36 18.650 2.229 -7.130 1.00 42.43 H new ATOM 0 HB2 ALA A 36 19.367 2.138 -5.504 1.00 42.43 H new ATOM 0 HB3 ALA A 36 18.128 0.960 -5.996 1.00 42.43 H new ATOM 521 N ILE A 37 15.025 2.333 -5.776 1.00 31.54 N ATOM 522 CA ILE A 37 13.755 2.166 -6.472 1.00 23.41 C ATOM 523 C ILE A 37 12.688 3.090 -5.897 1.00 55.44 C ATOM 524 O ILE A 37 11.741 3.468 -6.589 1.00 14.44 O ATOM 525 CB ILE A 37 13.256 0.711 -6.391 1.00 70.14 C ATOM 526 CG1 ILE A 37 13.271 0.223 -4.941 1.00 40.12 C ATOM 527 CG2 ILE A 37 14.111 -0.192 -7.268 1.00 53.35 C ATOM 528 CD1 ILE A 37 12.400 -0.990 -4.703 1.00 20.41 C ATOM 0 H ILE A 37 15.004 2.070 -4.791 1.00 31.54 H new ATOM 0 HA ILE A 37 13.931 2.424 -7.516 1.00 23.41 H new ATOM 0 HB ILE A 37 12.230 0.674 -6.756 1.00 70.14 H new ATOM 0 HG12 ILE A 37 14.296 -0.014 -4.657 1.00 40.12 H new ATOM 0 HG13 ILE A 37 12.939 1.032 -4.290 1.00 40.12 H new ATOM 0 HG21 ILE A 37 13.746 -1.217 -7.200 1.00 53.35 H new ATOM 0 HG22 ILE A 37 14.054 0.146 -8.303 1.00 53.35 H new ATOM 0 HG23 ILE A 37 15.147 -0.153 -6.930 1.00 53.35 H new ATOM 0 HD11 ILE A 37 12.459 -1.280 -3.654 1.00 20.41 H new ATOM 0 HD12 ILE A 37 11.367 -0.751 -4.956 1.00 20.41 H new ATOM 0 HD13 ILE A 37 12.745 -1.814 -5.328 1.00 20.41 H new ATOM 540 N LEU A 38 12.847 3.453 -4.629 1.00 71.14 N ATOM 541 CA LEU A 38 11.897 4.336 -3.961 1.00 44.00 C ATOM 542 C LEU A 38 12.501 5.720 -3.743 1.00 61.31 C ATOM 543 O LEU A 38 11.795 6.671 -3.413 1.00 53.54 O ATOM 544 CB LEU A 38 11.470 3.737 -2.620 1.00 60.51 C ATOM 545 CG LEU A 38 10.236 2.834 -2.651 1.00 62.12 C ATOM 546 CD1 LEU A 38 10.544 1.533 -3.377 1.00 3.41 C ATOM 547 CD2 LEU A 38 9.744 2.555 -1.239 1.00 32.14 C ATOM 0 H LEU A 38 13.625 3.150 -4.043 1.00 71.14 H new ATOM 0 HA LEU A 38 11.021 4.438 -4.602 1.00 44.00 H new ATOM 0 HB2 LEU A 38 12.305 3.163 -2.219 1.00 60.51 H new ATOM 0 HB3 LEU A 38 11.280 4.554 -1.924 1.00 60.51 H new ATOM 0 HG LEU A 38 9.445 3.351 -3.195 1.00 62.12 H new ATOM 0 HD11 LEU A 38 9.654 0.904 -3.389 1.00 3.41 H new ATOM 0 HD12 LEU A 38 10.848 1.751 -4.401 1.00 3.41 H new ATOM 0 HD13 LEU A 38 11.351 1.011 -2.862 1.00 3.41 H new ATOM 0 HD21 LEU A 38 8.866 1.911 -1.280 1.00 32.14 H new ATOM 0 HD22 LEU A 38 10.531 2.059 -0.671 1.00 32.14 H new ATOM 0 HD23 LEU A 38 9.482 3.495 -0.753 1.00 32.14 H new ATOM 559 N GLY A 39 13.813 5.824 -3.932 1.00 22.12 N ATOM 560 CA GLY A 39 14.490 7.095 -3.753 1.00 54.45 C ATOM 561 C GLY A 39 14.573 7.893 -5.040 1.00 13.34 C ATOM 562 O GLY A 39 15.214 8.943 -5.087 1.00 42.02 O ATOM 0 H GLY A 39 14.419 5.051 -4.206 1.00 22.12 H new ATOM 0 HA2 GLY A 39 13.964 7.681 -2.999 1.00 54.45 H new ATOM 0 HA3 GLY A 39 15.496 6.917 -3.374 1.00 54.45 H new ATOM 566 N VAL A 40 13.924 7.394 -6.087 1.00 15.42 N ATOM 567 CA VAL A 40 13.927 8.068 -7.380 1.00 61.51 C ATOM 568 C VAL A 40 12.590 8.750 -7.648 1.00 64.12 C ATOM 569 O VAL A 40 12.540 9.844 -8.211 1.00 45.11 O ATOM 570 CB VAL A 40 14.227 7.082 -8.525 1.00 75.31 C ATOM 571 CG1 VAL A 40 13.302 5.876 -8.448 1.00 10.35 C ATOM 572 CG2 VAL A 40 14.099 7.776 -9.872 1.00 52.15 C ATOM 0 H VAL A 40 13.390 6.526 -6.065 1.00 15.42 H new ATOM 0 HA VAL A 40 14.714 8.821 -7.343 1.00 61.51 H new ATOM 0 HB VAL A 40 15.253 6.730 -8.419 1.00 75.31 H new ATOM 0 HG11 VAL A 40 13.529 5.191 -9.265 1.00 10.35 H new ATOM 0 HG12 VAL A 40 13.447 5.366 -7.496 1.00 10.35 H new ATOM 0 HG13 VAL A 40 12.266 6.206 -8.528 1.00 10.35 H new ATOM 0 HG21 VAL A 40 14.314 7.065 -10.670 1.00 52.15 H new ATOM 0 HG22 VAL A 40 13.085 8.157 -9.990 1.00 52.15 H new ATOM 0 HG23 VAL A 40 14.806 8.604 -9.923 1.00 52.15 H new ATOM 582 N THR A 41 11.506 8.097 -7.241 1.00 24.31 N ATOM 583 CA THR A 41 10.168 8.639 -7.437 1.00 42.54 C ATOM 584 C THR A 41 9.413 8.733 -6.116 1.00 64.23 C ATOM 585 O THR A 41 8.653 9.675 -5.889 1.00 4.21 O ATOM 586 CB THR A 41 9.353 7.781 -8.422 1.00 75.50 C ATOM 587 OG1 THR A 41 8.045 8.339 -8.593 1.00 2.23 O ATOM 588 CG2 THR A 41 9.236 6.348 -7.923 1.00 4.21 C ATOM 0 H THR A 41 11.529 7.191 -6.773 1.00 24.31 H new ATOM 0 HA THR A 41 10.290 9.639 -7.853 1.00 42.54 H new ATOM 0 HB THR A 41 9.873 7.775 -9.380 1.00 75.50 H new ATOM 0 HG1 THR A 41 7.534 7.788 -9.222 1.00 2.23 H new ATOM 0 HG21 THR A 41 8.656 5.761 -8.635 1.00 4.21 H new ATOM 0 HG22 THR A 41 10.231 5.916 -7.822 1.00 4.21 H new ATOM 0 HG23 THR A 41 8.736 6.340 -6.954 1.00 4.21 H new ATOM 596 N LEU A 42 9.627 7.751 -5.247 1.00 44.05 N ATOM 597 CA LEU A 42 8.967 7.723 -3.947 1.00 23.21 C ATOM 598 C LEU A 42 9.686 8.629 -2.952 1.00 34.42 C ATOM 599 O LEU A 42 10.829 9.036 -3.159 1.00 20.44 O ATOM 600 CB LEU A 42 8.919 6.292 -3.408 1.00 72.24 C ATOM 601 CG LEU A 42 7.636 5.510 -3.695 1.00 3.03 C ATOM 602 CD1 LEU A 42 7.785 4.688 -4.966 1.00 34.05 C ATOM 603 CD2 LEU A 42 7.283 4.614 -2.516 1.00 42.52 C ATOM 0 H LEU A 42 10.252 6.964 -5.419 1.00 44.05 H new ATOM 0 HA LEU A 42 7.949 8.091 -4.076 1.00 23.21 H new ATOM 0 HB2 LEU A 42 9.760 5.739 -3.827 1.00 72.24 H new ATOM 0 HB3 LEU A 42 9.066 6.326 -2.329 1.00 72.24 H new ATOM 0 HG LEU A 42 6.824 6.222 -3.841 1.00 3.03 H new ATOM 0 HD11 LEU A 42 6.863 4.139 -5.154 1.00 34.05 H new ATOM 0 HD12 LEU A 42 7.990 5.351 -5.806 1.00 34.05 H new ATOM 0 HD13 LEU A 42 8.609 3.984 -4.850 1.00 34.05 H new ATOM 0 HD21 LEU A 42 6.368 4.065 -2.737 1.00 42.52 H new ATOM 0 HD22 LEU A 42 8.095 3.909 -2.339 1.00 42.52 H new ATOM 0 HD23 LEU A 42 7.133 5.226 -1.626 1.00 42.52 H new ATOM 615 N PRO A 43 9.001 8.951 -1.844 1.00 44.21 N ATOM 616 CA PRO A 43 9.556 9.810 -0.793 1.00 72.13 C ATOM 617 C PRO A 43 10.679 9.128 -0.019 1.00 74.43 C ATOM 618 O PRO A 43 11.036 7.985 -0.304 1.00 34.24 O ATOM 619 CB PRO A 43 8.357 10.070 0.122 1.00 74.31 C ATOM 620 CG PRO A 43 7.456 8.903 -0.094 1.00 32.23 C ATOM 621 CD PRO A 43 7.634 8.502 -1.532 1.00 3.01 C ATOM 0 HA PRO A 43 10.003 10.717 -1.201 1.00 72.13 H new ATOM 0 HB2 PRO A 43 8.664 10.145 1.165 1.00 74.31 H new ATOM 0 HB3 PRO A 43 7.860 11.006 -0.133 1.00 74.31 H new ATOM 0 HG2 PRO A 43 7.714 8.082 0.575 1.00 32.23 H new ATOM 0 HG3 PRO A 43 6.419 9.168 0.112 1.00 32.23 H new ATOM 0 HD2 PRO A 43 7.524 7.426 -1.666 1.00 3.01 H new ATOM 0 HD3 PRO A 43 6.897 8.980 -2.177 1.00 3.01 H new ATOM 629 N ALA A 44 11.231 9.836 0.960 1.00 21.22 N ATOM 630 CA ALA A 44 12.312 9.297 1.777 1.00 73.13 C ATOM 631 C ALA A 44 11.764 8.550 2.988 1.00 3.02 C ATOM 632 O ALA A 44 12.240 7.467 3.328 1.00 23.13 O ATOM 633 CB ALA A 44 13.245 10.413 2.220 1.00 3.50 C ATOM 0 H ALA A 44 10.948 10.784 1.207 1.00 21.22 H new ATOM 0 HA ALA A 44 12.875 8.588 1.170 1.00 73.13 H new ATOM 0 HB1 ALA A 44 14.047 9.996 2.829 1.00 3.50 H new ATOM 0 HB2 ALA A 44 13.671 10.901 1.343 1.00 3.50 H new ATOM 0 HB3 ALA A 44 12.687 11.143 2.806 1.00 3.50 H new ATOM 639 N TRP A 45 10.763 9.136 3.635 1.00 24.44 N ATOM 640 CA TRP A 45 10.152 8.525 4.810 1.00 21.15 C ATOM 641 C TRP A 45 9.650 7.120 4.495 1.00 52.42 C ATOM 642 O TRP A 45 9.641 6.245 5.360 1.00 1.41 O ATOM 643 CB TRP A 45 8.998 9.391 5.318 1.00 32.53 C ATOM 644 CG TRP A 45 7.824 9.422 4.386 1.00 5.34 C ATOM 645 CD1 TRP A 45 7.528 10.395 3.475 1.00 15.44 C ATOM 646 CD2 TRP A 45 6.791 8.438 4.276 1.00 34.03 C ATOM 647 NE1 TRP A 45 6.371 10.075 2.806 1.00 42.34 N ATOM 648 CE2 TRP A 45 5.900 8.879 3.278 1.00 62.11 C ATOM 649 CE3 TRP A 45 6.531 7.226 4.922 1.00 5.23 C ATOM 650 CZ2 TRP A 45 4.771 8.150 2.914 1.00 51.55 C ATOM 651 CZ3 TRP A 45 5.410 6.505 4.560 1.00 62.42 C ATOM 652 CH2 TRP A 45 4.542 6.968 3.563 1.00 74.25 C ATOM 0 H TRP A 45 10.358 10.033 3.366 1.00 24.44 H new ATOM 0 HA TRP A 45 10.912 8.452 5.588 1.00 21.15 H new ATOM 0 HB2 TRP A 45 8.672 9.017 6.289 1.00 32.53 H new ATOM 0 HB3 TRP A 45 9.357 10.408 5.472 1.00 32.53 H new ATOM 0 HD1 TRP A 45 8.116 11.285 3.305 1.00 15.44 H new ATOM 0 HE1 TRP A 45 5.934 10.637 2.076 1.00 42.34 H new ATOM 0 HE3 TRP A 45 7.195 6.860 5.691 1.00 5.23 H new ATOM 0 HZ2 TRP A 45 4.100 8.505 2.146 1.00 51.55 H new ATOM 0 HZ3 TRP A 45 5.199 5.568 5.054 1.00 62.42 H new ATOM 0 HH2 TRP A 45 3.675 6.380 3.302 1.00 74.25 H new ATOM 663 N ALA A 46 9.232 6.912 3.250 1.00 23.45 N ATOM 664 CA ALA A 46 8.731 5.612 2.821 1.00 52.11 C ATOM 665 C ALA A 46 9.722 4.503 3.157 1.00 35.22 C ATOM 666 O ALA A 46 9.329 3.407 3.561 1.00 1.33 O ATOM 667 CB ALA A 46 8.438 5.627 1.328 1.00 64.52 C ATOM 0 H ALA A 46 9.231 7.626 2.522 1.00 23.45 H new ATOM 0 HA ALA A 46 7.805 5.411 3.360 1.00 52.11 H new ATOM 0 HB1 ALA A 46 8.065 4.650 1.021 1.00 64.52 H new ATOM 0 HB2 ALA A 46 7.687 6.387 1.112 1.00 64.52 H new ATOM 0 HB3 ALA A 46 9.352 5.855 0.780 1.00 64.52 H new ATOM 673 N LEU A 47 11.007 4.792 2.987 1.00 12.54 N ATOM 674 CA LEU A 47 12.055 3.818 3.272 1.00 12.55 C ATOM 675 C LEU A 47 12.159 3.554 4.771 1.00 21.21 C ATOM 676 O LEU A 47 12.507 2.452 5.194 1.00 73.30 O ATOM 677 CB LEU A 47 13.399 4.314 2.736 1.00 53.22 C ATOM 678 CG LEU A 47 13.444 4.647 1.244 1.00 63.50 C ATOM 679 CD1 LEU A 47 14.703 5.432 0.910 1.00 23.42 C ATOM 680 CD2 LEU A 47 13.370 3.375 0.412 1.00 64.33 C ATOM 0 H LEU A 47 11.349 5.693 2.653 1.00 12.54 H new ATOM 0 HA LEU A 47 11.794 2.884 2.774 1.00 12.55 H new ATOM 0 HB2 LEU A 47 13.684 5.205 3.296 1.00 53.22 H new ATOM 0 HB3 LEU A 47 14.153 3.554 2.941 1.00 53.22 H new ATOM 0 HG LEU A 47 12.580 5.266 1.003 1.00 63.50 H new ATOM 0 HD11 LEU A 47 14.718 5.660 -0.156 1.00 23.42 H new ATOM 0 HD12 LEU A 47 14.714 6.361 1.480 1.00 23.42 H new ATOM 0 HD13 LEU A 47 15.581 4.838 1.166 1.00 23.42 H new ATOM 0 HD21 LEU A 47 13.403 3.631 -0.647 1.00 64.33 H new ATOM 0 HD22 LEU A 47 14.214 2.731 0.656 1.00 64.33 H new ATOM 0 HD23 LEU A 47 12.439 2.851 0.630 1.00 64.33 H new ATOM 692 N ALA A 48 11.854 4.572 5.569 1.00 33.31 N ATOM 693 CA ALA A 48 11.909 4.448 7.020 1.00 31.34 C ATOM 694 C ALA A 48 10.695 3.694 7.554 1.00 63.14 C ATOM 695 O ALA A 48 10.754 3.076 8.616 1.00 24.21 O ATOM 696 CB ALA A 48 12.003 5.823 7.664 1.00 2.13 C ATOM 0 H ALA A 48 11.566 5.492 5.235 1.00 33.31 H new ATOM 0 HA ALA A 48 12.801 3.876 7.277 1.00 31.34 H new ATOM 0 HB1 ALA A 48 12.043 5.715 8.748 1.00 2.13 H new ATOM 0 HB2 ALA A 48 12.905 6.327 7.316 1.00 2.13 H new ATOM 0 HB3 ALA A 48 11.129 6.413 7.390 1.00 2.13 H new ATOM 702 N ALA A 49 9.596 3.750 6.809 1.00 13.24 N ATOM 703 CA ALA A 49 8.369 3.072 7.207 1.00 35.41 C ATOM 704 C ALA A 49 8.328 1.648 6.663 1.00 34.41 C ATOM 705 O ALA A 49 7.659 0.779 7.222 1.00 24.51 O ATOM 706 CB ALA A 49 7.154 3.855 6.732 1.00 41.42 C ATOM 0 H ALA A 49 9.531 4.258 5.927 1.00 13.24 H new ATOM 0 HA ALA A 49 8.350 3.019 8.296 1.00 35.41 H new ATOM 0 HB1 ALA A 49 6.245 3.336 7.037 1.00 41.42 H new ATOM 0 HB2 ALA A 49 7.168 4.852 7.173 1.00 41.42 H new ATOM 0 HB3 ALA A 49 7.177 3.939 5.645 1.00 41.42 H new ATOM 712 N ALA A 50 9.046 1.416 5.569 1.00 11.21 N ATOM 713 CA ALA A 50 9.092 0.097 4.951 1.00 43.25 C ATOM 714 C ALA A 50 10.315 -0.685 5.418 1.00 72.55 C ATOM 715 O ALA A 50 10.318 -1.916 5.406 1.00 0.41 O ATOM 716 CB ALA A 50 9.093 0.225 3.434 1.00 14.04 C ATOM 0 H ALA A 50 9.604 2.125 5.093 1.00 11.21 H new ATOM 0 HA ALA A 50 8.202 -0.453 5.258 1.00 43.25 H new ATOM 0 HB1 ALA A 50 9.128 -0.768 2.985 1.00 14.04 H new ATOM 0 HB2 ALA A 50 8.187 0.738 3.112 1.00 14.04 H new ATOM 0 HB3 ALA A 50 9.965 0.797 3.118 1.00 14.04 H new ATOM 722 N GLY A 51 11.353 0.037 5.828 1.00 62.22 N ATOM 723 CA GLY A 51 12.568 -0.608 6.292 1.00 12.51 C ATOM 724 C GLY A 51 12.440 -1.134 7.708 1.00 70.23 C ATOM 725 O GLY A 51 13.208 -1.999 8.127 1.00 62.31 O ATOM 0 H GLY A 51 11.375 1.057 5.847 1.00 62.22 H new ATOM 0 HA2 GLY A 51 12.817 -1.432 5.623 1.00 12.51 H new ATOM 0 HA3 GLY A 51 13.394 0.102 6.245 1.00 12.51 H new ATOM 729 N ALA A 52 11.468 -0.610 8.447 1.00 73.22 N ATOM 730 CA ALA A 52 11.242 -1.033 9.823 1.00 31.32 C ATOM 731 C ALA A 52 9.905 -1.753 9.964 1.00 30.20 C ATOM 732 O ALA A 52 9.860 -2.949 10.257 1.00 12.22 O ATOM 733 CB ALA A 52 11.300 0.164 10.760 1.00 53.53 C ATOM 0 H ALA A 52 10.824 0.108 8.115 1.00 73.22 H new ATOM 0 HA ALA A 52 12.032 -1.733 10.096 1.00 31.32 H new ATOM 0 HB1 ALA A 52 11.129 -0.167 11.784 1.00 53.53 H new ATOM 0 HB2 ALA A 52 12.281 0.634 10.689 1.00 53.53 H new ATOM 0 HB3 ALA A 52 10.531 0.884 10.479 1.00 53.53 H new ATOM 739 N LEU A 53 8.818 -1.019 9.754 1.00 1.13 N ATOM 740 CA LEU A 53 7.479 -1.588 9.858 1.00 13.44 C ATOM 741 C LEU A 53 7.158 -2.453 8.644 1.00 45.12 C ATOM 742 O LEU A 53 6.584 -3.533 8.772 1.00 13.14 O ATOM 743 CB LEU A 53 6.439 -0.473 9.993 1.00 23.44 C ATOM 744 CG LEU A 53 6.684 0.541 11.111 1.00 44.43 C ATOM 745 CD1 LEU A 53 5.678 1.678 11.029 1.00 12.52 C ATOM 746 CD2 LEU A 53 6.617 -0.137 12.471 1.00 11.33 C ATOM 0 H LEU A 53 8.838 -0.029 9.511 1.00 1.13 H new ATOM 0 HA LEU A 53 7.447 -2.217 10.747 1.00 13.44 H new ATOM 0 HB2 LEU A 53 6.388 0.065 9.046 1.00 23.44 H new ATOM 0 HB3 LEU A 53 5.463 -0.931 10.153 1.00 23.44 H new ATOM 0 HG LEU A 53 7.683 0.958 10.985 1.00 44.43 H new ATOM 0 HD11 LEU A 53 5.867 2.390 11.832 1.00 12.52 H new ATOM 0 HD12 LEU A 53 5.776 2.182 10.067 1.00 12.52 H new ATOM 0 HD13 LEU A 53 4.669 1.279 11.129 1.00 12.52 H new ATOM 0 HD21 LEU A 53 6.794 0.600 13.254 1.00 11.33 H new ATOM 0 HD22 LEU A 53 5.631 -0.582 12.607 1.00 11.33 H new ATOM 0 HD23 LEU A 53 7.378 -0.916 12.527 1.00 11.33 H new ATOM 758 N GLY A 54 7.537 -1.971 7.464 1.00 50.13 N ATOM 759 CA GLY A 54 7.284 -2.714 6.243 1.00 14.02 C ATOM 760 C GLY A 54 6.229 -2.059 5.374 1.00 52.31 C ATOM 761 O GLY A 54 5.623 -1.062 5.767 1.00 73.34 O ATOM 0 H GLY A 54 8.015 -1.079 7.332 1.00 50.13 H new ATOM 0 HA2 GLY A 54 8.211 -2.804 5.677 1.00 14.02 H new ATOM 0 HA3 GLY A 54 6.965 -3.725 6.496 1.00 14.02 H new ATOM 765 N ALA A 55 6.010 -2.618 4.188 1.00 30.24 N ATOM 766 CA ALA A 55 5.021 -2.082 3.261 1.00 22.04 C ATOM 767 C ALA A 55 3.604 -2.360 3.750 1.00 55.13 C ATOM 768 O ALA A 55 2.666 -1.637 3.412 1.00 52.34 O ATOM 769 CB ALA A 55 5.227 -2.668 1.873 1.00 65.15 C ATOM 0 H ALA A 55 6.505 -3.442 3.847 1.00 30.24 H new ATOM 0 HA ALA A 55 5.154 -1.001 3.210 1.00 22.04 H new ATOM 0 HB1 ALA A 55 4.482 -2.259 1.191 1.00 65.15 H new ATOM 0 HB2 ALA A 55 6.225 -2.414 1.515 1.00 65.15 H new ATOM 0 HB3 ALA A 55 5.123 -3.752 1.917 1.00 65.15 H new ATOM 775 N THR A 56 3.453 -3.413 4.547 1.00 73.12 N ATOM 776 CA THR A 56 2.149 -3.788 5.080 1.00 2.31 C ATOM 777 C THR A 56 1.111 -3.894 3.969 1.00 15.43 C ATOM 778 O THR A 56 -0.078 -3.671 4.195 1.00 35.12 O ATOM 779 CB THR A 56 1.659 -2.773 6.130 1.00 22.14 C ATOM 780 OG1 THR A 56 1.110 -1.622 5.480 1.00 14.34 O ATOM 781 CG2 THR A 56 2.798 -2.350 7.046 1.00 11.40 C ATOM 0 H THR A 56 4.218 -4.022 4.838 1.00 73.12 H new ATOM 0 HA THR A 56 2.269 -4.762 5.555 1.00 2.31 H new ATOM 0 HB THR A 56 0.887 -3.251 6.733 1.00 22.14 H new ATOM 0 HG1 THR A 56 1.669 -1.383 4.711 1.00 14.34 H new ATOM 0 HG21 THR A 56 2.428 -1.633 7.779 1.00 11.40 H new ATOM 0 HG22 THR A 56 3.194 -3.225 7.562 1.00 11.40 H new ATOM 0 HG23 THR A 56 3.589 -1.889 6.454 1.00 11.40 H new ATOM 789 N ALA A 57 1.567 -4.235 2.769 1.00 64.30 N ATOM 790 CA ALA A 57 0.677 -4.373 1.623 1.00 33.35 C ATOM 791 C ALA A 57 0.081 -3.027 1.226 1.00 34.21 C ATOM 792 O ALA A 57 -1.075 -2.948 0.811 1.00 51.30 O ATOM 793 CB ALA A 57 -0.429 -5.372 1.932 1.00 11.11 C ATOM 0 H ALA A 57 2.549 -4.421 2.565 1.00 64.30 H new ATOM 0 HA ALA A 57 1.262 -4.744 0.782 1.00 33.35 H new ATOM 0 HB1 ALA A 57 -1.087 -5.466 1.068 1.00 11.11 H new ATOM 0 HB2 ALA A 57 0.011 -6.343 2.160 1.00 11.11 H new ATOM 0 HB3 ALA A 57 -1.004 -5.024 2.790 1.00 11.11 H new ATOM 799 N ALA A 58 0.877 -1.971 1.357 1.00 73.01 N ATOM 800 CA ALA A 58 0.428 -0.628 1.010 1.00 33.41 C ATOM 801 C ALA A 58 0.693 -0.324 -0.460 1.00 52.44 C ATOM 802 O ALA A 58 -0.217 0.054 -1.200 1.00 31.32 O ATOM 803 CB ALA A 58 1.112 0.402 1.896 1.00 15.23 C ATOM 0 H ALA A 58 1.836 -2.019 1.701 1.00 73.01 H new ATOM 0 HA ALA A 58 -0.648 -0.577 1.176 1.00 33.41 H new ATOM 0 HB1 ALA A 58 0.768 1.400 1.626 1.00 15.23 H new ATOM 0 HB2 ALA A 58 0.868 0.204 2.940 1.00 15.23 H new ATOM 0 HB3 ALA A 58 2.192 0.341 1.758 1.00 15.23 H new