USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, 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 Single : A 1 ILE N :NH3+ -137:sc= -0.149 (180deg=-1.23) USER MOD Single : A 2 TYR OH : rot 180:sc=-0.00868 USER MOD Single : A 7 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.6) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot -48:sc= 0.99 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= -0.124 (180deg=-0.659) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0378 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 -63:sc= 0.832 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.509 -0.618 -1.153 1.00 31.32 N ATOM 2 CA ILE A 1 1.872 -0.574 -2.564 1.00 30.23 C ATOM 3 C ILE A 1 1.018 -1.537 -3.382 1.00 13.15 C ATOM 4 O ILE A 1 0.777 -1.315 -4.568 1.00 53.43 O ATOM 5 CB ILE A 1 3.358 -0.919 -2.774 1.00 22.44 C ATOM 6 CG1 ILE A 1 4.246 0.061 -2.003 1.00 75.43 C ATOM 7 CG2 ILE A 1 3.702 -0.901 -4.256 1.00 30.25 C ATOM 8 CD1 ILE A 1 4.150 1.484 -2.505 1.00 5.41 C ATOM 0 H1 ILE A 1 1.472 0.350 -0.774 1.00 31.32 H new ATOM 0 H3 ILE A 1 2.219 -1.168 -0.629 1.00 31.32 H new ATOM 0 HA ILE A 1 1.692 0.446 -2.904 1.00 30.23 H new ATOM 0 HB ILE A 1 3.540 -1.923 -2.391 1.00 22.44 H new ATOM 0 HG12 ILE A 1 3.970 0.037 -0.949 1.00 75.43 H new ATOM 0 HG13 ILE A 1 5.282 -0.270 -2.069 1.00 75.43 H new ATOM 0 HG21 ILE A 1 4.756 -1.147 -4.388 1.00 30.25 H new ATOM 0 HG22 ILE A 1 3.090 -1.635 -4.781 1.00 30.25 H new ATOM 0 HG23 ILE A 1 3.507 0.091 -4.663 1.00 30.25 H new ATOM 0 HD11 ILE A 1 4.805 2.124 -1.913 1.00 5.41 H new ATOM 0 HD12 ILE A 1 4.454 1.522 -3.551 1.00 5.41 H new ATOM 0 HD13 ILE A 1 3.122 1.834 -2.413 1.00 5.41 H new ATOM 20 N TYR A 2 0.561 -2.606 -2.739 1.00 0.22 N ATOM 21 CA TYR A 2 -0.267 -3.604 -3.406 1.00 45.54 C ATOM 22 C TYR A 2 -1.720 -3.145 -3.479 1.00 61.42 C ATOM 23 O TYR A 2 -2.574 -3.839 -4.032 1.00 2.30 O ATOM 24 CB TYR A 2 -0.179 -4.943 -2.673 1.00 64.12 C ATOM 25 CG TYR A 2 1.223 -5.505 -2.605 1.00 65.10 C ATOM 26 CD1 TYR A 2 2.155 -4.993 -1.710 1.00 62.31 C ATOM 27 CD2 TYR A 2 1.617 -6.547 -3.436 1.00 11.22 C ATOM 28 CE1 TYR A 2 3.438 -5.503 -1.645 1.00 35.04 C ATOM 29 CE2 TYR A 2 2.897 -7.064 -3.376 1.00 55.32 C ATOM 30 CZ TYR A 2 3.803 -6.538 -2.479 1.00 62.42 C ATOM 31 OH TYR A 2 5.079 -7.050 -2.418 1.00 3.32 O ATOM 0 H TYR A 2 0.750 -2.804 -1.756 1.00 0.22 H new ATOM 0 HA TYR A 2 0.107 -3.729 -4.422 1.00 45.54 H new ATOM 0 HB2 TYR A 2 -0.561 -4.819 -1.660 1.00 64.12 H new ATOM 0 HB3 TYR A 2 -0.827 -5.664 -3.172 1.00 64.12 H new ATOM 0 HD1 TYR A 2 1.872 -4.183 -1.054 1.00 62.31 H new ATOM 0 HD2 TYR A 2 0.910 -6.960 -4.141 1.00 11.22 H new ATOM 0 HE1 TYR A 2 4.151 -5.093 -0.945 1.00 35.04 H new ATOM 0 HE2 TYR A 2 3.186 -7.875 -4.028 1.00 55.32 H new ATOM 0 HH TYR A 2 5.172 -7.775 -3.071 1.00 3.32 H new ATOM 41 N TRP A 3 -1.992 -1.973 -2.918 1.00 32.01 N ATOM 42 CA TRP A 3 -3.342 -1.420 -2.919 1.00 71.41 C ATOM 43 C TRP A 3 -3.423 -0.184 -3.808 1.00 34.14 C ATOM 44 O TRP A 3 -4.419 0.029 -4.501 1.00 23.34 O ATOM 45 CB TRP A 3 -3.773 -1.069 -1.494 1.00 45.21 C ATOM 46 CG TRP A 3 -5.169 -0.532 -1.411 1.00 14.01 C ATOM 47 CD1 TRP A 3 -6.323 -1.258 -1.326 1.00 22.21 C ATOM 48 CD2 TRP A 3 -5.559 0.846 -1.407 1.00 31.31 C ATOM 49 NE1 TRP A 3 -7.406 -0.415 -1.269 1.00 53.13 N ATOM 50 CE2 TRP A 3 -6.964 0.881 -1.316 1.00 75.24 C ATOM 51 CE3 TRP A 3 -4.858 2.053 -1.469 1.00 20.13 C ATOM 52 CZ2 TRP A 3 -7.679 2.076 -1.288 1.00 24.31 C ATOM 53 CZ3 TRP A 3 -5.568 3.238 -1.441 1.00 33.15 C ATOM 54 CH2 TRP A 3 -6.967 3.243 -1.350 1.00 25.40 C ATOM 0 H TRP A 3 -1.296 -1.387 -2.457 1.00 32.01 H new ATOM 0 HA TRP A 3 -4.018 -2.176 -3.319 1.00 71.41 H new ATOM 0 HB2 TRP A 3 -3.696 -1.959 -0.869 1.00 45.21 H new ATOM 0 HB3 TRP A 3 -3.083 -0.331 -1.085 1.00 45.21 H new ATOM 0 HD1 TRP A 3 -6.376 -2.337 -1.306 1.00 22.21 H new ATOM 0 HE1 TRP A 3 -8.381 -0.707 -1.202 1.00 53.13 H new ATOM 0 HE3 TRP A 3 -3.780 2.060 -1.538 1.00 20.13 H new ATOM 0 HZ2 TRP A 3 -8.757 2.081 -1.220 1.00 24.31 H new ATOM 0 HZ3 TRP A 3 -5.036 4.177 -1.490 1.00 33.15 H new ATOM 0 HH2 TRP A 3 -7.493 4.186 -1.328 1.00 25.40 H new ATOM 65 N ILE A 4 -2.372 0.627 -3.783 1.00 4.33 N ATOM 66 CA ILE A 4 -2.325 1.842 -4.588 1.00 21.44 C ATOM 67 C ILE A 4 -2.300 1.514 -6.077 1.00 21.54 C ATOM 68 O ILE A 4 -2.913 2.209 -6.886 1.00 61.31 O ATOM 69 CB ILE A 4 -1.093 2.699 -4.242 1.00 15.43 C ATOM 70 CG1 ILE A 4 -1.221 3.267 -2.826 1.00 72.34 C ATOM 71 CG2 ILE A 4 -0.928 3.822 -5.255 1.00 53.01 C ATOM 72 CD1 ILE A 4 -0.120 2.814 -1.893 1.00 14.54 C ATOM 0 H ILE A 4 -1.541 0.465 -3.214 1.00 4.33 H new ATOM 0 HA ILE A 4 -3.228 2.408 -4.358 1.00 21.44 H new ATOM 0 HB ILE A 4 -0.206 2.067 -4.281 1.00 15.43 H new ATOM 0 HG12 ILE A 4 -1.217 4.356 -2.878 1.00 72.34 H new ATOM 0 HG13 ILE A 4 -2.184 2.971 -2.410 1.00 72.34 H new ATOM 0 HG21 ILE A 4 -0.053 4.419 -4.997 1.00 53.01 H new ATOM 0 HG22 ILE A 4 -0.797 3.398 -6.250 1.00 53.01 H new ATOM 0 HG23 ILE A 4 -1.815 4.455 -5.244 1.00 53.01 H new ATOM 0 HD11 ILE A 4 -0.274 3.254 -0.908 1.00 14.54 H new ATOM 0 HD12 ILE A 4 -0.137 1.727 -1.811 1.00 14.54 H new ATOM 0 HD13 ILE A 4 0.845 3.134 -2.287 1.00 14.54 H new ATOM 84 N ALA A 5 -1.588 0.448 -6.430 1.00 40.53 N ATOM 85 CA ALA A 5 -1.486 0.025 -7.821 1.00 51.44 C ATOM 86 C ALA A 5 -2.852 -0.360 -8.379 1.00 40.25 C ATOM 87 O ALA A 5 -3.036 -0.444 -9.594 1.00 2.31 O ATOM 88 CB ALA A 5 -0.514 -1.138 -7.949 1.00 73.33 C ATOM 0 H ALA A 5 -1.074 -0.138 -5.772 1.00 40.53 H new ATOM 0 HA ALA A 5 -1.108 0.865 -8.404 1.00 51.44 H new ATOM 0 HB1 ALA A 5 -0.448 -1.444 -8.993 1.00 73.33 H new ATOM 0 HB2 ALA A 5 0.471 -0.829 -7.598 1.00 73.33 H new ATOM 0 HB3 ALA A 5 -0.868 -1.976 -7.348 1.00 73.33 H new ATOM 94 N ASP A 6 -3.806 -0.594 -7.486 1.00 14.34 N ATOM 95 CA ASP A 6 -5.156 -0.970 -7.889 1.00 53.01 C ATOM 96 C ASP A 6 -6.009 0.267 -8.155 1.00 23.00 C ATOM 97 O ASP A 6 -6.288 0.604 -9.305 1.00 65.12 O ATOM 98 CB ASP A 6 -5.812 -1.834 -6.811 1.00 22.13 C ATOM 99 CG ASP A 6 -7.288 -2.061 -7.069 1.00 14.23 C ATOM 100 OD1 ASP A 6 -7.617 -2.832 -7.994 1.00 30.54 O ATOM 101 OD2 ASP A 6 -8.116 -1.466 -6.346 1.00 45.32 O ATOM 0 H ASP A 6 -3.670 -0.530 -6.477 1.00 14.34 H new ATOM 0 HA ASP A 6 -5.085 -1.546 -8.812 1.00 53.01 H new ATOM 0 HB2 ASP A 6 -5.303 -2.796 -6.761 1.00 22.13 H new ATOM 0 HB3 ASP A 6 -5.685 -1.356 -5.840 1.00 22.13 H new ATOM 106 N GLN A 7 -6.420 0.938 -7.084 1.00 25.34 N ATOM 107 CA GLN A 7 -7.242 2.136 -7.202 1.00 43.00 C ATOM 108 C GLN A 7 -6.603 3.143 -8.153 1.00 62.31 C ATOM 109 O GLN A 7 -7.159 3.458 -9.205 1.00 72.01 O ATOM 110 CB GLN A 7 -7.449 2.775 -5.828 1.00 55.40 C ATOM 111 CG GLN A 7 -8.130 1.857 -4.826 1.00 64.40 C ATOM 112 CD GLN A 7 -9.593 1.623 -5.148 1.00 5.13 C ATOM 113 OE1 GLN A 7 -9.927 0.999 -6.155 1.00 43.34 O ATOM 114 NE2 GLN A 7 -10.475 2.124 -4.291 1.00 24.24 N ATOM 0 H GLN A 7 -6.197 0.672 -6.125 1.00 25.34 H new ATOM 0 HA GLN A 7 -8.210 1.843 -7.609 1.00 43.00 H new ATOM 0 HB2 GLN A 7 -6.482 3.080 -5.429 1.00 55.40 H new ATOM 0 HB3 GLN A 7 -8.046 3.680 -5.944 1.00 55.40 H new ATOM 0 HG2 GLN A 7 -7.609 0.900 -4.804 1.00 64.40 H new ATOM 0 HG3 GLN A 7 -8.046 2.288 -3.829 1.00 64.40 H new ATOM 0 HE21 GLN A 7 -10.154 2.635 -3.469 1.00 24.24 H new ATOM 0 HE22 GLN A 7 -11.474 1.998 -4.455 1.00 24.24 H new ATOM 123 N PHE A 8 -5.431 3.644 -7.776 1.00 15.50 N ATOM 124 CA PHE A 8 -4.717 4.617 -8.595 1.00 32.02 C ATOM 125 C PHE A 8 -4.013 3.932 -9.762 1.00 45.02 C ATOM 126 O PHE A 8 -4.404 4.091 -10.918 1.00 2.44 O ATOM 127 CB PHE A 8 -3.698 5.380 -7.746 1.00 30.32 C ATOM 128 CG PHE A 8 -4.276 5.944 -6.480 1.00 4.54 C ATOM 129 CD1 PHE A 8 -4.315 5.185 -5.321 1.00 51.04 C ATOM 130 CD2 PHE A 8 -4.779 7.235 -6.448 1.00 35.23 C ATOM 131 CE1 PHE A 8 -4.846 5.702 -4.154 1.00 64.14 C ATOM 132 CE2 PHE A 8 -5.311 7.757 -5.284 1.00 3.14 C ATOM 133 CZ PHE A 8 -5.345 6.989 -4.136 1.00 0.41 C ATOM 0 H PHE A 8 -4.956 3.392 -6.909 1.00 15.50 H new ATOM 0 HA PHE A 8 -5.445 5.322 -8.996 1.00 32.02 H new ATOM 0 HB2 PHE A 8 -2.874 4.712 -7.494 1.00 30.32 H new ATOM 0 HB3 PHE A 8 -3.279 6.193 -8.339 1.00 30.32 H new ATOM 0 HD1 PHE A 8 -3.926 4.178 -5.330 1.00 51.04 H new ATOM 0 HD2 PHE A 8 -4.755 7.840 -7.342 1.00 35.23 H new ATOM 0 HE1 PHE A 8 -4.870 5.100 -3.258 1.00 64.14 H new ATOM 0 HE2 PHE A 8 -5.700 8.765 -5.272 1.00 3.14 H new ATOM 0 HZ PHE A 8 -5.761 7.395 -3.226 1.00 0.41 H new ATOM 143 N GLY A 9 -2.969 3.169 -9.451 1.00 34.44 N ATOM 144 CA GLY A 9 -2.226 2.471 -10.483 1.00 43.24 C ATOM 145 C GLY A 9 -0.996 3.237 -10.930 1.00 30.13 C ATOM 146 O GLY A 9 -0.985 3.834 -12.007 1.00 35.32 O ATOM 0 H GLY A 9 -2.625 3.022 -8.502 1.00 34.44 H new ATOM 0 HA2 GLY A 9 -1.925 1.492 -10.111 1.00 43.24 H new ATOM 0 HA3 GLY A 9 -2.876 2.300 -11.341 1.00 43.24 H new ATOM 150 N ILE A 10 0.042 3.222 -10.100 1.00 72.11 N ATOM 151 CA ILE A 10 1.281 3.921 -10.416 1.00 24.25 C ATOM 152 C ILE A 10 2.159 3.091 -11.347 1.00 32.05 C ATOM 153 O ILE A 10 2.125 1.860 -11.316 1.00 1.31 O ATOM 154 CB ILE A 10 2.078 4.256 -9.141 1.00 44.51 C ATOM 155 CG1 ILE A 10 1.169 4.920 -8.105 1.00 2.23 C ATOM 156 CG2 ILE A 10 3.257 5.159 -9.476 1.00 14.05 C ATOM 157 CD1 ILE A 10 0.503 6.183 -8.606 1.00 20.55 C ATOM 0 H ILE A 10 0.049 2.734 -9.204 1.00 72.11 H new ATOM 0 HA ILE A 10 1.002 4.849 -10.915 1.00 24.25 H new ATOM 0 HB ILE A 10 2.464 3.329 -8.717 1.00 44.51 H new ATOM 0 HG12 ILE A 10 0.400 4.210 -7.800 1.00 2.23 H new ATOM 0 HG13 ILE A 10 1.755 5.156 -7.217 1.00 2.23 H new ATOM 0 HG21 ILE A 10 3.811 5.387 -8.565 1.00 14.05 H new ATOM 0 HG22 ILE A 10 3.914 4.652 -10.183 1.00 14.05 H new ATOM 0 HG23 ILE A 10 2.891 6.085 -9.920 1.00 14.05 H new ATOM 0 HD11 ILE A 10 -0.126 6.599 -7.819 1.00 20.55 H new ATOM 0 HD12 ILE A 10 1.265 6.911 -8.884 1.00 20.55 H new ATOM 0 HD13 ILE A 10 -0.111 5.950 -9.476 1.00 20.55 H new ATOM 169 N HIS A 11 2.946 3.773 -12.173 1.00 74.31 N ATOM 170 CA HIS A 11 3.835 3.098 -13.112 1.00 50.41 C ATOM 171 C HIS A 11 5.062 2.543 -12.395 1.00 74.51 C ATOM 172 O HIS A 11 6.176 3.035 -12.576 1.00 60.05 O ATOM 173 CB HIS A 11 4.269 4.061 -14.218 1.00 12.44 C ATOM 174 CG HIS A 11 4.676 3.374 -15.485 1.00 4.45 C ATOM 175 ND1 HIS A 11 3.871 3.317 -16.602 1.00 41.54 N ATOM 176 CD2 HIS A 11 5.813 2.714 -15.808 1.00 1.35 C ATOM 177 CE1 HIS A 11 4.494 2.651 -17.558 1.00 21.44 C ATOM 178 NE2 HIS A 11 5.675 2.274 -17.101 1.00 11.11 N ATOM 0 H HIS A 11 2.986 4.791 -12.211 1.00 74.31 H new ATOM 0 HA HIS A 11 3.289 2.267 -13.558 1.00 50.41 H new ATOM 0 HB2 HIS A 11 3.450 4.747 -14.433 1.00 12.44 H new ATOM 0 HB3 HIS A 11 5.103 4.664 -13.857 1.00 12.44 H new ATOM 0 HD2 HIS A 11 6.669 2.562 -15.168 1.00 1.35 H new ATOM 0 HE1 HIS A 11 4.104 2.449 -18.545 1.00 21.44 H new ATOM 0 HE2 HIS A 11 6.371 1.742 -17.624 1.00 11.11 H new ATOM 186 N LEU A 12 4.849 1.515 -11.580 1.00 44.20 N ATOM 187 CA LEU A 12 5.938 0.892 -10.835 1.00 12.45 C ATOM 188 C LEU A 12 7.020 0.379 -11.778 1.00 63.05 C ATOM 189 O LEU A 12 6.732 -0.049 -12.896 1.00 13.14 O ATOM 190 CB LEU A 12 5.404 -0.258 -9.979 1.00 54.31 C ATOM 191 CG LEU A 12 5.743 -0.200 -8.489 1.00 65.13 C ATOM 192 CD1 LEU A 12 7.244 -0.330 -8.279 1.00 30.32 C ATOM 193 CD2 LEU A 12 5.227 1.092 -7.874 1.00 12.21 C ATOM 0 H LEU A 12 3.933 1.096 -11.418 1.00 44.20 H new ATOM 0 HA LEU A 12 6.378 1.647 -10.184 1.00 12.45 H new ATOM 0 HB2 LEU A 12 4.319 -0.289 -10.083 1.00 54.31 H new ATOM 0 HB3 LEU A 12 5.790 -1.194 -10.383 1.00 54.31 H new ATOM 0 HG LEU A 12 5.252 -1.036 -7.991 1.00 65.13 H new ATOM 0 HD11 LEU A 12 7.467 -0.287 -7.213 1.00 30.32 H new ATOM 0 HD12 LEU A 12 7.587 -1.283 -8.683 1.00 30.32 H new ATOM 0 HD13 LEU A 12 7.755 0.486 -8.790 1.00 30.32 H new ATOM 0 HD21 LEU A 12 5.477 1.116 -6.813 1.00 12.21 H new ATOM 0 HD22 LEU A 12 5.688 1.943 -8.375 1.00 12.21 H new ATOM 0 HD23 LEU A 12 4.145 1.145 -7.992 1.00 12.21 H new ATOM 205 N ALA A 13 8.267 0.423 -11.320 1.00 61.13 N ATOM 206 CA ALA A 13 9.392 -0.042 -12.122 1.00 3.21 C ATOM 207 C ALA A 13 9.567 -1.552 -11.999 1.00 43.44 C ATOM 208 O ALA A 13 10.309 -2.034 -11.143 1.00 63.21 O ATOM 209 CB ALA A 13 10.668 0.675 -11.706 1.00 24.12 C ATOM 0 H ALA A 13 8.523 0.776 -10.398 1.00 61.13 H new ATOM 0 HA ALA A 13 9.182 0.189 -13.166 1.00 3.21 H new ATOM 0 HB1 ALA A 13 11.500 0.318 -12.313 1.00 24.12 H new ATOM 0 HB2 ALA A 13 10.546 1.748 -11.852 1.00 24.12 H new ATOM 0 HB3 ALA A 13 10.873 0.473 -10.655 1.00 24.12 H new ATOM 215 N THR A 14 8.879 -2.294 -12.860 1.00 73.55 N ATOM 216 CA THR A 14 8.956 -3.750 -12.847 1.00 45.24 C ATOM 217 C THR A 14 9.990 -4.254 -13.848 1.00 30.10 C ATOM 218 O THR A 14 9.900 -5.381 -14.334 1.00 14.31 O ATOM 219 CB THR A 14 7.592 -4.388 -13.170 1.00 23.23 C ATOM 220 OG1 THR A 14 7.678 -5.813 -13.054 1.00 4.23 O ATOM 221 CG2 THR A 14 7.138 -4.015 -14.573 1.00 22.21 C ATOM 0 H THR A 14 8.262 -1.911 -13.576 1.00 73.55 H new ATOM 0 HA THR A 14 9.255 -4.042 -11.840 1.00 45.24 H new ATOM 0 HB THR A 14 6.861 -4.009 -12.456 1.00 23.23 H new ATOM 0 HG1 THR A 14 8.471 -6.133 -13.532 1.00 4.23 H new ATOM 0 HG21 THR A 14 6.172 -4.477 -14.778 1.00 22.21 H new ATOM 0 HG22 THR A 14 7.045 -2.932 -14.649 1.00 22.21 H new ATOM 0 HG23 THR A 14 7.871 -4.368 -15.299 1.00 22.21 H new ATOM 229 N GLY A 15 10.973 -3.412 -14.152 1.00 23.24 N ATOM 230 CA GLY A 15 12.011 -3.792 -15.093 1.00 14.41 C ATOM 231 C GLY A 15 13.302 -4.185 -14.405 1.00 24.35 C ATOM 232 O GLY A 15 13.879 -5.232 -14.701 1.00 24.32 O ATOM 0 H GLY A 15 11.069 -2.474 -13.764 1.00 23.24 H new ATOM 0 HA2 GLY A 15 11.659 -4.625 -15.701 1.00 14.41 H new ATOM 0 HA3 GLY A 15 12.203 -2.961 -15.772 1.00 14.41 H new ATOM 236 N THR A 16 13.761 -3.344 -13.483 1.00 15.22 N ATOM 237 CA THR A 16 14.994 -3.608 -12.752 1.00 52.44 C ATOM 238 C THR A 16 14.721 -3.803 -11.265 1.00 70.45 C ATOM 239 O THR A 16 15.501 -4.443 -10.561 1.00 32.42 O ATOM 240 CB THR A 16 16.008 -2.462 -12.930 1.00 50.12 C ATOM 241 OG1 THR A 16 16.279 -2.259 -14.321 1.00 64.45 O ATOM 242 CG2 THR A 16 17.304 -2.768 -12.195 1.00 0.43 C ATOM 0 H THR A 16 13.296 -2.473 -13.225 1.00 15.22 H new ATOM 0 HA THR A 16 15.416 -4.525 -13.164 1.00 52.44 H new ATOM 0 HB THR A 16 15.575 -1.555 -12.509 1.00 50.12 H new ATOM 0 HG1 THR A 16 16.923 -1.528 -14.425 1.00 64.45 H new ATOM 0 HG21 THR A 16 18.005 -1.945 -12.335 1.00 0.43 H new ATOM 0 HG22 THR A 16 17.099 -2.893 -11.132 1.00 0.43 H new ATOM 0 HG23 THR A 16 17.739 -3.686 -12.591 1.00 0.43 H new ATOM 250 N ALA A 17 13.609 -3.249 -10.795 1.00 12.24 N ATOM 251 CA ALA A 17 13.232 -3.365 -9.391 1.00 61.23 C ATOM 252 C ALA A 17 12.400 -4.620 -9.149 1.00 1.14 C ATOM 253 O ALA A 17 12.272 -5.081 -8.014 1.00 71.24 O ATOM 254 CB ALA A 17 12.467 -2.128 -8.946 1.00 12.11 C ATOM 0 H ALA A 17 12.953 -2.715 -11.365 1.00 12.24 H new ATOM 0 HA ALA A 17 14.144 -3.446 -8.800 1.00 61.23 H new ATOM 0 HB1 ALA A 17 12.192 -2.228 -7.896 1.00 12.11 H new ATOM 0 HB2 ALA A 17 13.095 -1.246 -9.074 1.00 12.11 H new ATOM 0 HB3 ALA A 17 11.565 -2.022 -9.549 1.00 12.11 H new ATOM 260 N ARG A 18 11.836 -5.167 -10.221 1.00 23.05 N ATOM 261 CA ARG A 18 11.015 -6.368 -10.123 1.00 11.40 C ATOM 262 C ARG A 18 11.778 -7.494 -9.431 1.00 53.51 C ATOM 263 O ARG A 18 11.206 -8.261 -8.657 1.00 21.24 O ATOM 264 CB ARG A 18 10.568 -6.820 -11.514 1.00 52.23 C ATOM 265 CG ARG A 18 9.930 -8.199 -11.531 1.00 33.25 C ATOM 266 CD ARG A 18 8.661 -8.236 -10.693 1.00 22.13 C ATOM 267 NE ARG A 18 8.120 -9.588 -10.578 1.00 4.15 N ATOM 268 CZ ARG A 18 6.904 -9.856 -10.117 1.00 13.23 C ATOM 269 NH1 ARG A 18 6.106 -8.870 -9.730 1.00 74.24 N ATOM 270 NH2 ARG A 18 6.483 -11.112 -10.042 1.00 60.11 N ATOM 0 H ARG A 18 11.932 -4.798 -11.167 1.00 23.05 H new ATOM 0 HA ARG A 18 10.135 -6.129 -9.526 1.00 11.40 H new ATOM 0 HB2 ARG A 18 9.857 -6.095 -11.911 1.00 52.23 H new ATOM 0 HB3 ARG A 18 11.430 -6.820 -12.181 1.00 52.23 H new ATOM 0 HG2 ARG A 18 9.698 -8.481 -12.558 1.00 33.25 H new ATOM 0 HG3 ARG A 18 10.640 -8.934 -11.151 1.00 33.25 H new ATOM 0 HD2 ARG A 18 8.872 -7.844 -9.698 1.00 22.13 H new ATOM 0 HD3 ARG A 18 7.912 -7.583 -11.140 1.00 22.13 H new ATOM 0 HE ARG A 18 8.709 -10.369 -10.868 1.00 4.15 H new ATOM 0 HH11 ARG A 18 6.426 -7.903 -9.786 1.00 74.24 H new ATOM 0 HH12 ARG A 18 5.172 -9.079 -9.376 1.00 74.24 H new ATOM 0 HH21 ARG A 18 7.094 -11.873 -10.339 1.00 60.11 H new ATOM 0 HH22 ARG A 18 5.549 -11.316 -9.688 1.00 60.11 H new ATOM 284 N LYS A 19 13.072 -7.587 -9.716 1.00 41.43 N ATOM 285 CA LYS A 19 13.915 -8.617 -9.122 1.00 72.40 C ATOM 286 C LYS A 19 14.017 -8.433 -7.611 1.00 51.34 C ATOM 287 O LYS A 19 13.999 -9.404 -6.854 1.00 72.12 O ATOM 288 CB LYS A 19 15.312 -8.585 -9.746 1.00 31.40 C ATOM 289 CG LYS A 19 16.025 -7.255 -9.573 1.00 72.41 C ATOM 290 CD LYS A 19 16.938 -6.955 -10.750 1.00 72.10 C ATOM 291 CE LYS A 19 18.159 -7.862 -10.754 1.00 1.24 C ATOM 292 NZ LYS A 19 18.936 -7.751 -9.488 1.00 41.31 N ATOM 0 H LYS A 19 13.560 -6.960 -10.356 1.00 41.43 H new ATOM 0 HA LYS A 19 13.457 -9.586 -9.322 1.00 72.40 H new ATOM 0 HB2 LYS A 19 15.918 -9.373 -9.300 1.00 31.40 H new ATOM 0 HB3 LYS A 19 15.231 -8.809 -10.810 1.00 31.40 H new ATOM 0 HG2 LYS A 19 15.289 -6.457 -9.469 1.00 72.41 H new ATOM 0 HG3 LYS A 19 16.609 -7.271 -8.653 1.00 72.41 H new ATOM 0 HD2 LYS A 19 16.386 -7.082 -11.681 1.00 72.10 H new ATOM 0 HD3 LYS A 19 17.257 -5.914 -10.708 1.00 72.10 H new ATOM 0 HE2 LYS A 19 17.843 -8.895 -10.897 1.00 1.24 H new ATOM 0 HE3 LYS A 19 18.800 -7.605 -11.597 1.00 1.24 H new ATOM 0 HZ1 LYS A 19 19.953 -7.766 -9.703 1.00 41.31 H new ATOM 0 HZ2 LYS A 19 18.696 -6.859 -9.010 1.00 41.31 H new ATOM 0 HZ3 LYS A 19 18.702 -8.551 -8.866 1.00 41.31 H new ATOM 306 N LEU A 20 14.123 -7.181 -7.179 1.00 33.11 N ATOM 307 CA LEU A 20 14.226 -6.869 -5.758 1.00 11.14 C ATOM 308 C LEU A 20 12.899 -7.118 -5.048 1.00 11.43 C ATOM 309 O LEU A 20 12.856 -7.755 -3.995 1.00 11.05 O ATOM 310 CB LEU A 20 14.655 -5.413 -5.565 1.00 24.41 C ATOM 311 CG LEU A 20 16.138 -5.116 -5.791 1.00 2.31 C ATOM 312 CD1 LEU A 20 16.362 -3.621 -5.964 1.00 22.52 C ATOM 313 CD2 LEU A 20 16.972 -5.652 -4.636 1.00 53.21 C ATOM 0 H LEU A 20 14.140 -6.366 -7.792 1.00 33.11 H new ATOM 0 HA LEU A 20 14.979 -7.525 -5.321 1.00 11.14 H new ATOM 0 HB2 LEU A 20 14.072 -4.790 -6.244 1.00 24.41 H new ATOM 0 HB3 LEU A 20 14.394 -5.109 -4.551 1.00 24.41 H new ATOM 0 HG LEU A 20 16.455 -5.619 -6.705 1.00 2.31 H new ATOM 0 HD11 LEU A 20 17.423 -3.428 -6.124 1.00 22.52 H new ATOM 0 HD12 LEU A 20 15.795 -3.265 -6.824 1.00 22.52 H new ATOM 0 HD13 LEU A 20 16.029 -3.097 -5.068 1.00 22.52 H new ATOM 0 HD21 LEU A 20 18.024 -5.432 -4.814 1.00 53.21 H new ATOM 0 HD22 LEU A 20 16.654 -5.178 -3.707 1.00 53.21 H new ATOM 0 HD23 LEU A 20 16.835 -6.731 -4.558 1.00 53.21 H new ATOM 325 N LEU A 21 11.818 -6.613 -5.632 1.00 11.44 N ATOM 326 CA LEU A 21 10.488 -6.782 -5.056 1.00 50.24 C ATOM 327 C LEU A 21 10.138 -8.260 -4.919 1.00 23.13 C ATOM 328 O LEU A 21 9.319 -8.639 -4.082 1.00 15.11 O ATOM 329 CB LEU A 21 9.443 -6.077 -5.923 1.00 34.31 C ATOM 330 CG LEU A 21 8.016 -6.062 -5.374 1.00 14.02 C ATOM 331 CD1 LEU A 21 7.311 -7.374 -5.682 1.00 21.02 C ATOM 332 CD2 LEU A 21 8.024 -5.798 -3.875 1.00 53.22 C ATOM 0 H LEU A 21 11.836 -6.083 -6.504 1.00 11.44 H new ATOM 0 HA LEU A 21 10.489 -6.334 -4.062 1.00 50.24 H new ATOM 0 HB2 LEU A 21 9.763 -5.046 -6.077 1.00 34.31 H new ATOM 0 HB3 LEU A 21 9.429 -6.556 -6.902 1.00 34.31 H new ATOM 0 HG LEU A 21 7.468 -5.256 -5.862 1.00 14.02 H new ATOM 0 HD11 LEU A 21 6.297 -7.344 -5.284 1.00 21.02 H new ATOM 0 HD12 LEU A 21 7.273 -7.522 -6.761 1.00 21.02 H new ATOM 0 HD13 LEU A 21 7.858 -8.197 -5.222 1.00 21.02 H new ATOM 0 HD21 LEU A 21 7.000 -5.791 -3.501 1.00 53.22 H new ATOM 0 HD22 LEU A 21 8.589 -6.582 -3.371 1.00 53.22 H new ATOM 0 HD23 LEU A 21 8.489 -4.832 -3.678 1.00 53.22 H new ATOM 344 N ASP A 22 10.767 -9.091 -5.743 1.00 54.54 N ATOM 345 CA ASP A 22 10.525 -10.528 -5.712 1.00 35.33 C ATOM 346 C ASP A 22 11.346 -11.193 -4.612 1.00 31.53 C ATOM 347 O ASP A 22 11.308 -12.412 -4.446 1.00 32.20 O ATOM 348 CB ASP A 22 10.862 -11.154 -7.066 1.00 55.21 C ATOM 349 CG ASP A 22 10.473 -12.617 -7.141 1.00 21.34 C ATOM 350 OD1 ASP A 22 9.274 -12.923 -6.973 1.00 14.54 O ATOM 351 OD2 ASP A 22 11.368 -13.457 -7.368 1.00 24.51 O ATOM 0 H ASP A 22 11.449 -8.793 -6.441 1.00 54.54 H new ATOM 0 HA ASP A 22 9.468 -10.689 -5.500 1.00 35.33 H new ATOM 0 HB2 ASP A 22 10.349 -10.604 -7.855 1.00 55.21 H new ATOM 0 HB3 ASP A 22 11.931 -11.056 -7.252 1.00 55.21 H new ATOM 356 N ALA A 23 12.089 -10.384 -3.863 1.00 73.35 N ATOM 357 CA ALA A 23 12.919 -10.894 -2.779 1.00 75.21 C ATOM 358 C ALA A 23 12.600 -10.188 -1.466 1.00 4.24 C ATOM 359 O ALA A 23 12.378 -10.832 -0.440 1.00 60.25 O ATOM 360 CB ALA A 23 14.392 -10.735 -3.123 1.00 22.24 C ATOM 0 H ALA A 23 12.133 -9.373 -3.988 1.00 73.35 H new ATOM 0 HA ALA A 23 12.700 -11.954 -2.653 1.00 75.21 H new ATOM 0 HB1 ALA A 23 15.000 -11.120 -2.305 1.00 22.24 H new ATOM 0 HB2 ALA A 23 14.615 -11.291 -4.034 1.00 22.24 H new ATOM 0 HB3 ALA A 23 14.618 -9.680 -3.278 1.00 22.24 H new ATOM 366 N VAL A 24 12.581 -8.859 -1.503 1.00 70.20 N ATOM 367 CA VAL A 24 12.290 -8.065 -0.315 1.00 74.15 C ATOM 368 C VAL A 24 10.923 -8.419 0.260 1.00 11.53 C ATOM 369 O VAL A 24 10.691 -8.286 1.462 1.00 61.34 O ATOM 370 CB VAL A 24 12.330 -6.557 -0.625 1.00 54.11 C ATOM 371 CG1 VAL A 24 13.647 -6.182 -1.286 1.00 24.00 C ATOM 372 CG2 VAL A 24 11.152 -6.162 -1.504 1.00 30.35 C ATOM 0 H VAL A 24 12.764 -8.310 -2.343 1.00 70.20 H new ATOM 0 HA VAL A 24 13.061 -8.298 0.419 1.00 74.15 H new ATOM 0 HB VAL A 24 12.253 -6.009 0.314 1.00 54.11 H new ATOM 0 HG11 VAL A 24 13.657 -5.113 -1.497 1.00 24.00 H new ATOM 0 HG12 VAL A 24 14.472 -6.427 -0.618 1.00 24.00 H new ATOM 0 HG13 VAL A 24 13.758 -6.737 -2.218 1.00 24.00 H new ATOM 0 HG21 VAL A 24 11.196 -5.093 -1.713 1.00 30.35 H new ATOM 0 HG22 VAL A 24 11.195 -6.717 -2.441 1.00 30.35 H new ATOM 0 HG23 VAL A 24 10.220 -6.393 -0.988 1.00 30.35 H new ATOM 382 N ALA A 25 10.021 -8.869 -0.605 1.00 71.24 N ATOM 383 CA ALA A 25 8.677 -9.244 -0.183 1.00 23.42 C ATOM 384 C ALA A 25 8.677 -10.610 0.496 1.00 54.01 C ATOM 385 O ALA A 25 7.642 -11.075 0.975 1.00 64.23 O ATOM 386 CB ALA A 25 7.730 -9.244 -1.374 1.00 21.25 C ATOM 0 H ALA A 25 10.196 -8.983 -1.603 1.00 71.24 H new ATOM 0 HA ALA A 25 8.331 -8.507 0.541 1.00 23.42 H new ATOM 0 HB1 ALA A 25 6.730 -9.526 -1.044 1.00 21.25 H new ATOM 0 HB2 ALA A 25 7.699 -8.247 -1.814 1.00 21.25 H new ATOM 0 HB3 ALA A 25 8.081 -9.959 -2.118 1.00 21.25 H new ATOM 392 N SER A 26 9.842 -11.248 0.533 1.00 41.12 N ATOM 393 CA SER A 26 9.975 -12.563 1.149 1.00 14.10 C ATOM 394 C SER A 26 10.855 -12.493 2.393 1.00 35.54 C ATOM 395 O SER A 26 10.800 -13.370 3.255 1.00 4.44 O ATOM 396 CB SER A 26 10.563 -13.561 0.150 1.00 53.13 C ATOM 397 OG SER A 26 9.581 -13.994 -0.776 1.00 21.30 O ATOM 0 H SER A 26 10.708 -10.876 0.143 1.00 41.12 H new ATOM 0 HA SER A 26 8.982 -12.900 1.446 1.00 14.10 H new ATOM 0 HB2 SER A 26 11.393 -13.099 -0.385 1.00 53.13 H new ATOM 0 HB3 SER A 26 10.967 -14.420 0.685 1.00 53.13 H new ATOM 0 HG SER A 26 9.982 -14.630 -1.405 1.00 21.30 H new ATOM 403 N GLY A 27 11.666 -11.443 2.479 1.00 32.53 N ATOM 404 CA GLY A 27 12.546 -11.278 3.621 1.00 45.12 C ATOM 405 C GLY A 27 12.740 -9.822 3.997 1.00 24.41 C ATOM 406 O GLY A 27 12.783 -9.480 5.178 1.00 31.14 O ATOM 0 H GLY A 27 11.729 -10.704 1.779 1.00 32.53 H new ATOM 0 HA2 GLY A 27 12.135 -11.819 4.474 1.00 45.12 H new ATOM 0 HA3 GLY A 27 13.515 -11.725 3.397 1.00 45.12 H new ATOM 410 N ALA A 28 12.860 -8.963 2.990 1.00 31.31 N ATOM 411 CA ALA A 28 13.050 -7.537 3.221 1.00 2.25 C ATOM 412 C ALA A 28 14.290 -7.279 4.071 1.00 44.04 C ATOM 413 O ALA A 28 14.206 -6.685 5.145 1.00 11.14 O ATOM 414 CB ALA A 28 11.819 -6.941 3.888 1.00 72.41 C ATOM 0 H ALA A 28 12.829 -9.230 2.006 1.00 31.31 H new ATOM 0 HA ALA A 28 13.196 -7.055 2.255 1.00 2.25 H new ATOM 0 HB1 ALA A 28 11.975 -5.875 4.054 1.00 72.41 H new ATOM 0 HB2 ALA A 28 10.951 -7.084 3.244 1.00 72.41 H new ATOM 0 HB3 ALA A 28 11.647 -7.436 4.844 1.00 72.41 H new ATOM 420 N SER A 29 15.441 -7.730 3.581 1.00 20.15 N ATOM 421 CA SER A 29 16.698 -7.552 4.298 1.00 5.01 C ATOM 422 C SER A 29 17.475 -6.361 3.744 1.00 24.53 C ATOM 423 O SER A 29 17.970 -5.522 4.499 1.00 73.44 O ATOM 424 CB SER A 29 17.549 -8.820 4.202 1.00 70.04 C ATOM 425 OG SER A 29 17.385 -9.449 2.942 1.00 23.24 O ATOM 0 H SER A 29 15.529 -8.221 2.691 1.00 20.15 H new ATOM 0 HA SER A 29 16.466 -7.358 5.345 1.00 5.01 H new ATOM 0 HB2 SER A 29 18.599 -8.570 4.353 1.00 70.04 H new ATOM 0 HB3 SER A 29 17.268 -9.511 4.997 1.00 70.04 H new ATOM 0 HG SER A 29 17.940 -10.256 2.904 1.00 23.24 H new ATOM 431 N LEU A 30 17.579 -6.295 2.422 1.00 43.34 N ATOM 432 CA LEU A 30 18.296 -5.207 1.764 1.00 20.34 C ATOM 433 C LEU A 30 17.807 -3.852 2.265 1.00 41.00 C ATOM 434 O LEU A 30 16.641 -3.695 2.623 1.00 33.15 O ATOM 435 CB LEU A 30 18.120 -5.297 0.248 1.00 72.44 C ATOM 436 CG LEU A 30 19.382 -5.607 -0.558 1.00 4.44 C ATOM 437 CD1 LEU A 30 20.501 -4.646 -0.186 1.00 41.21 C ATOM 438 CD2 LEU A 30 19.818 -7.047 -0.334 1.00 21.41 C ATOM 0 H LEU A 30 17.176 -6.981 1.784 1.00 43.34 H new ATOM 0 HA LEU A 30 19.354 -5.303 2.006 1.00 20.34 H new ATOM 0 HB2 LEU A 30 17.378 -6.066 0.034 1.00 72.44 H new ATOM 0 HB3 LEU A 30 17.710 -4.351 -0.107 1.00 72.44 H new ATOM 0 HG LEU A 30 19.155 -5.478 -1.616 1.00 4.44 H new ATOM 0 HD11 LEU A 30 21.391 -4.881 -0.769 1.00 41.21 H new ATOM 0 HD12 LEU A 30 20.188 -3.624 -0.398 1.00 41.21 H new ATOM 0 HD13 LEU A 30 20.726 -4.744 0.876 1.00 41.21 H new ATOM 0 HD21 LEU A 30 20.717 -7.249 -0.915 1.00 21.41 H new ATOM 0 HD22 LEU A 30 20.027 -7.203 0.724 1.00 21.41 H new ATOM 0 HD23 LEU A 30 19.022 -7.721 -0.650 1.00 21.41 H new ATOM 450 N GLY A 31 18.708 -2.874 2.284 1.00 14.25 N ATOM 451 CA GLY A 31 18.348 -1.544 2.741 1.00 43.24 C ATOM 452 C GLY A 31 18.770 -0.463 1.765 1.00 10.22 C ATOM 453 O GLY A 31 18.074 0.539 1.597 1.00 10.21 O ATOM 0 H GLY A 31 19.680 -2.979 1.991 1.00 14.25 H new ATOM 0 HA2 GLY A 31 17.269 -1.494 2.890 1.00 43.24 H new ATOM 0 HA3 GLY A 31 18.813 -1.357 3.709 1.00 43.24 H new ATOM 457 N THR A 32 19.915 -0.664 1.120 1.00 1.42 N ATOM 458 CA THR A 32 20.430 0.303 0.159 1.00 64.12 C ATOM 459 C THR A 32 19.827 0.079 -1.223 1.00 63.11 C ATOM 460 O THR A 32 19.390 1.023 -1.880 1.00 72.12 O ATOM 461 CB THR A 32 21.965 0.228 0.055 1.00 45.02 C ATOM 462 OG1 THR A 32 22.540 0.113 1.361 1.00 0.24 O ATOM 463 CG2 THR A 32 22.521 1.460 -0.643 1.00 3.43 C ATOM 0 H THR A 32 20.503 -1.488 1.246 1.00 1.42 H new ATOM 0 HA THR A 32 20.145 1.291 0.521 1.00 64.12 H new ATOM 0 HB THR A 32 22.224 -0.652 -0.534 1.00 45.02 H new ATOM 0 HG1 THR A 32 23.516 0.064 1.286 1.00 0.24 H new ATOM 0 HG21 THR A 32 23.607 1.384 -0.705 1.00 3.43 H new ATOM 0 HG22 THR A 32 22.104 1.528 -1.648 1.00 3.43 H new ATOM 0 HG23 THR A 32 22.251 2.352 -0.077 1.00 3.43 H new ATOM 471 N ALA A 33 19.807 -1.177 -1.658 1.00 53.32 N ATOM 472 CA ALA A 33 19.254 -1.525 -2.961 1.00 43.45 C ATOM 473 C ALA A 33 17.806 -1.063 -3.085 1.00 20.43 C ATOM 474 O ALA A 33 17.357 -0.675 -4.163 1.00 43.04 O ATOM 475 CB ALA A 33 19.354 -3.025 -3.194 1.00 0.05 C ATOM 0 H ALA A 33 20.167 -1.970 -1.127 1.00 53.32 H new ATOM 0 HA ALA A 33 19.838 -1.011 -3.724 1.00 43.45 H new ATOM 0 HB1 ALA A 33 18.937 -3.270 -4.171 1.00 0.05 H new ATOM 0 HB2 ALA A 33 20.400 -3.330 -3.159 1.00 0.05 H new ATOM 0 HB3 ALA A 33 18.797 -3.552 -2.419 1.00 0.05 H new ATOM 481 N PHE A 34 17.079 -1.110 -1.973 1.00 53.55 N ATOM 482 CA PHE A 34 15.680 -0.698 -1.958 1.00 12.23 C ATOM 483 C PHE A 34 15.560 0.823 -1.967 1.00 4.31 C ATOM 484 O PHE A 34 14.604 1.378 -2.506 1.00 55.22 O ATOM 485 CB PHE A 34 14.972 -1.269 -0.727 1.00 51.13 C ATOM 486 CG PHE A 34 13.503 -1.501 -0.935 1.00 34.10 C ATOM 487 CD1 PHE A 34 13.056 -2.336 -1.947 1.00 11.31 C ATOM 488 CD2 PHE A 34 12.568 -0.885 -0.118 1.00 61.41 C ATOM 489 CE1 PHE A 34 11.704 -2.550 -2.141 1.00 24.45 C ATOM 490 CE2 PHE A 34 11.215 -1.097 -0.307 1.00 2.33 C ATOM 491 CZ PHE A 34 10.783 -1.931 -1.319 1.00 20.13 C ATOM 0 H PHE A 34 17.435 -1.429 -1.072 1.00 53.55 H new ATOM 0 HA PHE A 34 15.203 -1.088 -2.857 1.00 12.23 H new ATOM 0 HB2 PHE A 34 15.445 -2.211 -0.450 1.00 51.13 H new ATOM 0 HB3 PHE A 34 15.109 -0.585 0.111 1.00 51.13 H new ATOM 0 HD1 PHE A 34 13.772 -2.825 -2.591 1.00 11.31 H new ATOM 0 HD2 PHE A 34 12.900 -0.232 0.675 1.00 61.41 H new ATOM 0 HE1 PHE A 34 11.368 -3.201 -2.935 1.00 24.45 H new ATOM 0 HE2 PHE A 34 10.497 -0.611 0.336 1.00 2.33 H new ATOM 0 HZ PHE A 34 9.727 -2.099 -1.468 1.00 20.13 H new ATOM 501 N ALA A 35 16.539 1.491 -1.365 1.00 41.30 N ATOM 502 CA ALA A 35 16.545 2.948 -1.305 1.00 23.44 C ATOM 503 C ALA A 35 16.982 3.550 -2.636 1.00 1.45 C ATOM 504 O ALA A 35 16.645 4.691 -2.951 1.00 40.04 O ATOM 505 CB ALA A 35 17.455 3.425 -0.183 1.00 3.53 C ATOM 0 H ALA A 35 17.338 1.047 -0.912 1.00 41.30 H new ATOM 0 HA ALA A 35 15.528 3.284 -1.101 1.00 23.44 H new ATOM 0 HB1 ALA A 35 17.450 4.514 -0.149 1.00 3.53 H new ATOM 0 HB2 ALA A 35 17.097 3.031 0.768 1.00 3.53 H new ATOM 0 HB3 ALA A 35 18.470 3.072 -0.363 1.00 3.53 H new ATOM 511 N ALA A 36 17.735 2.777 -3.412 1.00 15.25 N ATOM 512 CA ALA A 36 18.216 3.235 -4.709 1.00 21.11 C ATOM 513 C ALA A 36 17.129 3.114 -5.772 1.00 25.32 C ATOM 514 O ALA A 36 17.212 3.737 -6.830 1.00 55.35 O ATOM 515 CB ALA A 36 19.451 2.447 -5.121 1.00 52.24 C ATOM 0 H ALA A 36 18.025 1.831 -3.165 1.00 15.25 H new ATOM 0 HA ALA A 36 18.483 4.288 -4.619 1.00 21.11 H new ATOM 0 HB1 ALA A 36 19.800 2.799 -6.092 1.00 52.24 H new ATOM 0 HB2 ALA A 36 20.237 2.589 -4.379 1.00 52.24 H new ATOM 0 HB3 ALA A 36 19.201 1.388 -5.187 1.00 52.24 H new ATOM 521 N ILE A 37 16.113 2.308 -5.483 1.00 64.43 N ATOM 522 CA ILE A 37 15.011 2.106 -6.415 1.00 33.31 C ATOM 523 C ILE A 37 13.800 2.946 -6.023 1.00 74.54 C ATOM 524 O ILE A 37 12.993 3.325 -6.873 1.00 52.42 O ATOM 525 CB ILE A 37 14.594 0.624 -6.482 1.00 2.53 C ATOM 526 CG1 ILE A 37 14.225 0.113 -5.088 1.00 31.51 C ATOM 527 CG2 ILE A 37 15.714 -0.214 -7.080 1.00 53.04 C ATOM 528 CD1 ILE A 37 13.601 -1.266 -5.096 1.00 4.40 C ATOM 0 H ILE A 37 16.030 1.785 -4.611 1.00 64.43 H new ATOM 0 HA ILE A 37 15.366 2.419 -7.397 1.00 33.31 H new ATOM 0 HB ILE A 37 13.718 0.536 -7.125 1.00 2.53 H new ATOM 0 HG12 ILE A 37 15.121 0.094 -4.468 1.00 31.51 H new ATOM 0 HG13 ILE A 37 13.531 0.814 -4.624 1.00 31.51 H new ATOM 0 HG21 ILE A 37 15.405 -1.258 -7.121 1.00 53.04 H new ATOM 0 HG22 ILE A 37 15.934 0.139 -8.087 1.00 53.04 H new ATOM 0 HG23 ILE A 37 16.606 -0.124 -6.461 1.00 53.04 H new ATOM 0 HD11 ILE A 37 13.365 -1.565 -4.075 1.00 4.40 H new ATOM 0 HD12 ILE A 37 12.687 -1.248 -5.689 1.00 4.40 H new ATOM 0 HD13 ILE A 37 14.301 -1.980 -5.530 1.00 4.40 H new ATOM 540 N LEU A 38 13.679 3.234 -4.732 1.00 70.23 N ATOM 541 CA LEU A 38 12.567 4.031 -4.227 1.00 52.21 C ATOM 542 C LEU A 38 12.941 5.509 -4.163 1.00 20.53 C ATOM 543 O LEU A 38 12.252 6.307 -3.529 1.00 25.24 O ATOM 544 CB LEU A 38 12.149 3.538 -2.841 1.00 15.43 C ATOM 545 CG LEU A 38 10.955 2.584 -2.800 1.00 31.34 C ATOM 546 CD1 LEU A 38 11.376 1.185 -3.222 1.00 75.33 C ATOM 547 CD2 LEU A 38 10.339 2.560 -1.408 1.00 73.33 C ATOM 0 H LEU A 38 14.337 2.927 -4.016 1.00 70.23 H new ATOM 0 HA LEU A 38 11.729 3.917 -4.914 1.00 52.21 H new ATOM 0 HB2 LEU A 38 13.003 3.040 -2.382 1.00 15.43 H new ATOM 0 HB3 LEU A 38 11.917 4.406 -2.224 1.00 15.43 H new ATOM 0 HG LEU A 38 10.203 2.943 -3.502 1.00 31.34 H new ATOM 0 HD11 LEU A 38 10.514 0.519 -3.187 1.00 75.33 H new ATOM 0 HD12 LEU A 38 11.770 1.215 -4.238 1.00 75.33 H new ATOM 0 HD13 LEU A 38 12.146 0.817 -2.544 1.00 75.33 H new ATOM 0 HD21 LEU A 38 9.491 1.876 -1.397 1.00 73.33 H new ATOM 0 HD22 LEU A 38 11.084 2.225 -0.686 1.00 73.33 H new ATOM 0 HD23 LEU A 38 10.001 3.562 -1.142 1.00 73.33 H new ATOM 559 N GLY A 39 14.037 5.866 -4.826 1.00 32.21 N ATOM 560 CA GLY A 39 14.482 7.247 -4.833 1.00 24.10 C ATOM 561 C GLY A 39 14.248 7.925 -6.168 1.00 61.13 C ATOM 562 O GLY A 39 14.314 9.150 -6.271 1.00 30.11 O ATOM 0 H GLY A 39 14.624 5.224 -5.358 1.00 32.21 H new ATOM 0 HA2 GLY A 39 13.958 7.798 -4.052 1.00 24.10 H new ATOM 0 HA3 GLY A 39 15.544 7.284 -4.591 1.00 24.10 H new ATOM 566 N VAL A 40 13.975 7.127 -7.196 1.00 22.23 N ATOM 567 CA VAL A 40 13.731 7.657 -8.532 1.00 20.12 C ATOM 568 C VAL A 40 12.368 8.335 -8.613 1.00 72.55 C ATOM 569 O VAL A 40 12.182 9.294 -9.363 1.00 61.32 O ATOM 570 CB VAL A 40 13.806 6.548 -9.598 1.00 35.10 C ATOM 571 CG1 VAL A 40 12.871 5.402 -9.243 1.00 35.11 C ATOM 572 CG2 VAL A 40 13.477 7.109 -10.973 1.00 73.43 C ATOM 0 H VAL A 40 13.917 6.111 -7.129 1.00 22.23 H new ATOM 0 HA VAL A 40 14.511 8.392 -8.729 1.00 20.12 H new ATOM 0 HB VAL A 40 14.824 6.160 -9.623 1.00 35.10 H new ATOM 0 HG11 VAL A 40 12.938 4.628 -10.008 1.00 35.11 H new ATOM 0 HG12 VAL A 40 13.157 4.984 -8.278 1.00 35.11 H new ATOM 0 HG13 VAL A 40 11.847 5.771 -9.189 1.00 35.11 H new ATOM 0 HG21 VAL A 40 13.535 6.312 -11.714 1.00 73.43 H new ATOM 0 HG22 VAL A 40 12.469 7.525 -10.965 1.00 73.43 H new ATOM 0 HG23 VAL A 40 14.191 7.893 -11.227 1.00 73.43 H new ATOM 582 N THR A 41 11.415 7.830 -7.836 1.00 75.23 N ATOM 583 CA THR A 41 10.067 8.385 -7.821 1.00 2.34 C ATOM 584 C THR A 41 9.518 8.456 -6.400 1.00 43.22 C ATOM 585 O THR A 41 8.879 9.438 -6.019 1.00 23.11 O ATOM 586 CB THR A 41 9.106 7.552 -8.689 1.00 51.33 C ATOM 587 OG1 THR A 41 7.758 7.991 -8.487 1.00 31.44 O ATOM 588 CG2 THR A 41 9.219 6.073 -8.355 1.00 61.52 C ATOM 0 H THR A 41 11.552 7.037 -7.209 1.00 75.23 H new ATOM 0 HA THR A 41 10.135 9.392 -8.233 1.00 2.34 H new ATOM 0 HB THR A 41 9.381 7.694 -9.734 1.00 51.33 H new ATOM 0 HG1 THR A 41 7.153 7.457 -9.044 1.00 31.44 H new ATOM 0 HG21 THR A 41 8.531 5.505 -8.981 1.00 61.52 H new ATOM 0 HG22 THR A 41 10.239 5.735 -8.539 1.00 61.52 H new ATOM 0 HG23 THR A 41 8.968 5.917 -7.306 1.00 61.52 H new ATOM 596 N LEU A 42 9.771 7.411 -5.620 1.00 63.04 N ATOM 597 CA LEU A 42 9.303 7.355 -4.240 1.00 54.00 C ATOM 598 C LEU A 42 10.119 8.287 -3.350 1.00 32.53 C ATOM 599 O LEU A 42 11.232 8.691 -3.687 1.00 73.33 O ATOM 600 CB LEU A 42 9.385 5.922 -3.710 1.00 44.43 C ATOM 601 CG LEU A 42 8.153 5.048 -3.944 1.00 12.22 C ATOM 602 CD1 LEU A 42 8.317 4.221 -5.210 1.00 11.34 C ATOM 603 CD2 LEU A 42 7.904 4.146 -2.744 1.00 13.12 C ATOM 0 H LEU A 42 10.298 6.591 -5.920 1.00 63.04 H new ATOM 0 HA LEU A 42 8.264 7.683 -4.221 1.00 54.00 H new ATOM 0 HB2 LEU A 42 10.244 5.434 -4.170 1.00 44.43 H new ATOM 0 HB3 LEU A 42 9.578 5.963 -2.638 1.00 44.43 H new ATOM 0 HG LEU A 42 7.288 5.699 -4.070 1.00 12.22 H new ATOM 0 HD11 LEU A 42 7.430 3.605 -5.360 1.00 11.34 H new ATOM 0 HD12 LEU A 42 8.446 4.885 -6.064 1.00 11.34 H new ATOM 0 HD13 LEU A 42 9.193 3.579 -5.114 1.00 11.34 H new ATOM 0 HD21 LEU A 42 7.023 3.531 -2.928 1.00 13.12 H new ATOM 0 HD22 LEU A 42 8.770 3.503 -2.587 1.00 13.12 H new ATOM 0 HD23 LEU A 42 7.741 4.758 -1.857 1.00 13.12 H new ATOM 615 N PRO A 43 9.555 8.635 -2.183 1.00 64.23 N ATOM 616 CA PRO A 43 10.215 9.520 -1.219 1.00 12.21 C ATOM 617 C PRO A 43 11.417 8.859 -0.553 1.00 40.51 C ATOM 618 O PRO A 43 11.848 7.781 -0.959 1.00 32.52 O ATOM 619 CB PRO A 43 9.119 9.800 -0.187 1.00 70.13 C ATOM 620 CG PRO A 43 8.206 8.626 -0.277 1.00 51.20 C ATOM 621 CD PRO A 43 8.232 8.191 -1.716 1.00 74.50 C ATOM 0 HA PRO A 43 10.612 10.417 -1.695 1.00 12.21 H new ATOM 0 HB2 PRO A 43 9.535 9.902 0.815 1.00 70.13 H new ATOM 0 HB3 PRO A 43 8.593 10.729 -0.410 1.00 70.13 H new ATOM 0 HG2 PRO A 43 8.538 7.822 0.380 1.00 51.20 H new ATOM 0 HG3 PRO A 43 7.195 8.893 0.032 1.00 51.20 H new ATOM 0 HD2 PRO A 43 8.114 7.112 -1.812 1.00 74.50 H new ATOM 0 HD3 PRO A 43 7.428 8.652 -2.290 1.00 74.50 H new ATOM 629 N ALA A 44 11.954 9.514 0.471 1.00 20.14 N ATOM 630 CA ALA A 44 13.105 8.988 1.195 1.00 41.22 C ATOM 631 C ALA A 44 12.693 8.435 2.555 1.00 71.33 C ATOM 632 O ALA A 44 13.333 7.527 3.086 1.00 41.42 O ATOM 633 CB ALA A 44 14.163 10.069 1.361 1.00 14.44 C ATOM 0 H ALA A 44 11.611 10.410 0.818 1.00 20.14 H new ATOM 0 HA ALA A 44 13.526 8.169 0.612 1.00 41.22 H new ATOM 0 HB1 ALA A 44 15.017 9.662 1.903 1.00 14.44 H new ATOM 0 HB2 ALA A 44 14.488 10.414 0.379 1.00 14.44 H new ATOM 0 HB3 ALA A 44 13.744 10.906 1.919 1.00 14.44 H new ATOM 639 N TRP A 45 11.622 8.987 3.113 1.00 73.14 N ATOM 640 CA TRP A 45 11.125 8.548 4.412 1.00 51.22 C ATOM 641 C TRP A 45 10.568 7.131 4.332 1.00 42.14 C ATOM 642 O TRP A 45 10.638 6.372 5.297 1.00 33.44 O ATOM 643 CB TRP A 45 10.045 9.506 4.918 1.00 72.23 C ATOM 644 CG TRP A 45 8.804 9.499 4.077 1.00 0.20 C ATOM 645 CD1 TRP A 45 8.470 10.395 3.101 1.00 25.52 C ATOM 646 CD2 TRP A 45 7.732 8.553 4.140 1.00 74.34 C ATOM 647 NE1 TRP A 45 7.255 10.062 2.553 1.00 21.34 N ATOM 648 CE2 TRP A 45 6.782 8.935 3.172 1.00 15.24 C ATOM 649 CE3 TRP A 45 7.482 7.418 4.917 1.00 43.43 C ATOM 650 CZ2 TRP A 45 5.603 8.224 2.965 1.00 70.51 C ATOM 651 CZ3 TRP A 45 6.312 6.713 4.710 1.00 51.42 C ATOM 652 CH2 TRP A 45 5.385 7.117 3.740 1.00 14.11 C ATOM 0 H TRP A 45 11.081 9.739 2.687 1.00 73.14 H new ATOM 0 HA TRP A 45 11.960 8.550 5.112 1.00 51.22 H new ATOM 0 HB2 TRP A 45 9.783 9.239 5.942 1.00 72.23 H new ATOM 0 HB3 TRP A 45 10.451 10.517 4.946 1.00 72.23 H new ATOM 0 HD1 TRP A 45 9.073 11.241 2.804 1.00 25.52 H new ATOM 0 HE1 TRP A 45 6.782 10.571 1.806 1.00 21.34 H new ATOM 0 HE3 TRP A 45 8.191 7.098 5.666 1.00 43.43 H new ATOM 0 HZ2 TRP A 45 4.886 8.535 2.220 1.00 70.51 H new ATOM 0 HZ3 TRP A 45 6.108 5.836 5.306 1.00 51.42 H new ATOM 0 HH2 TRP A 45 4.480 6.543 3.601 1.00 14.11 H new ATOM 663 N ALA A 46 10.016 6.781 3.174 1.00 4.33 N ATOM 664 CA ALA A 46 9.450 5.454 2.968 1.00 0.12 C ATOM 665 C ALA A 46 10.484 4.367 3.243 1.00 51.44 C ATOM 666 O ALA A 46 10.135 3.230 3.562 1.00 54.12 O ATOM 667 CB ALA A 46 8.909 5.325 1.552 1.00 41.21 C ATOM 0 H ALA A 46 9.949 7.398 2.365 1.00 4.33 H new ATOM 0 HA ALA A 46 8.628 5.323 3.672 1.00 0.12 H new ATOM 0 HB1 ALA A 46 8.489 4.329 1.412 1.00 41.21 H new ATOM 0 HB2 ALA A 46 8.132 6.072 1.390 1.00 41.21 H new ATOM 0 HB3 ALA A 46 9.718 5.482 0.838 1.00 41.21 H new ATOM 673 N LEU A 47 11.757 4.723 3.116 1.00 44.52 N ATOM 674 CA LEU A 47 12.843 3.778 3.350 1.00 62.33 C ATOM 675 C LEU A 47 13.020 3.509 4.841 1.00 52.22 C ATOM 676 O LEU A 47 13.319 2.387 5.248 1.00 4.43 O ATOM 677 CB LEU A 47 14.148 4.313 2.758 1.00 24.02 C ATOM 678 CG LEU A 47 14.036 5.003 1.398 1.00 13.45 C ATOM 679 CD1 LEU A 47 15.382 5.570 0.974 1.00 32.23 C ATOM 680 CD2 LEU A 47 13.509 4.034 0.350 1.00 14.23 C ATOM 0 H LEU A 47 12.063 5.660 2.852 1.00 44.52 H new ATOM 0 HA LEU A 47 12.586 2.839 2.859 1.00 62.33 H new ATOM 0 HB2 LEU A 47 14.582 5.019 3.466 1.00 24.02 H new ATOM 0 HB3 LEU A 47 14.848 3.483 2.665 1.00 24.02 H new ATOM 0 HG LEU A 47 13.330 5.828 1.488 1.00 13.45 H new ATOM 0 HD11 LEU A 47 15.282 6.057 0.004 1.00 32.23 H new ATOM 0 HD12 LEU A 47 15.719 6.297 1.712 1.00 32.23 H new ATOM 0 HD13 LEU A 47 16.110 4.762 0.901 1.00 32.23 H new ATOM 0 HD21 LEU A 47 13.436 4.542 -0.611 1.00 14.23 H new ATOM 0 HD22 LEU A 47 14.190 3.187 0.262 1.00 14.23 H new ATOM 0 HD23 LEU A 47 12.523 3.677 0.648 1.00 14.23 H new ATOM 692 N ALA A 48 12.830 4.546 5.650 1.00 11.20 N ATOM 693 CA ALA A 48 12.964 4.421 7.096 1.00 11.31 C ATOM 694 C ALA A 48 11.751 3.724 7.702 1.00 73.34 C ATOM 695 O ALA A 48 11.840 3.117 8.768 1.00 21.05 O ATOM 696 CB ALA A 48 13.158 5.792 7.728 1.00 34.55 C ATOM 0 H ALA A 48 12.583 5.482 5.329 1.00 11.20 H new ATOM 0 HA ALA A 48 13.842 3.809 7.303 1.00 11.31 H new ATOM 0 HB1 ALA A 48 13.257 5.684 8.808 1.00 34.55 H new ATOM 0 HB2 ALA A 48 14.060 6.254 7.326 1.00 34.55 H new ATOM 0 HB3 ALA A 48 12.297 6.421 7.503 1.00 34.55 H new ATOM 702 N ALA A 49 10.617 3.815 7.014 1.00 0.10 N ATOM 703 CA ALA A 49 9.386 3.192 7.484 1.00 62.51 C ATOM 704 C ALA A 49 9.451 1.674 7.344 1.00 4.43 C ATOM 705 O ALA A 49 8.812 0.944 8.101 1.00 40.03 O ATOM 706 CB ALA A 49 8.191 3.743 6.721 1.00 33.21 C ATOM 0 H ALA A 49 10.526 4.314 6.129 1.00 0.10 H new ATOM 0 HA ALA A 49 9.269 3.429 8.541 1.00 62.51 H new ATOM 0 HB1 ALA A 49 7.278 3.269 7.082 1.00 33.21 H new ATOM 0 HB2 ALA A 49 8.126 4.820 6.875 1.00 33.21 H new ATOM 0 HB3 ALA A 49 8.311 3.535 5.658 1.00 33.21 H new ATOM 712 N ALA A 50 10.228 1.207 6.372 1.00 55.11 N ATOM 713 CA ALA A 50 10.377 -0.223 6.134 1.00 31.24 C ATOM 714 C ALA A 50 11.176 -0.885 7.252 1.00 0.20 C ATOM 715 O ALA A 50 10.965 -2.054 7.571 1.00 62.22 O ATOM 716 CB ALA A 50 11.045 -0.468 4.789 1.00 35.03 C ATOM 0 H ALA A 50 10.764 1.798 5.737 1.00 55.11 H new ATOM 0 HA ALA A 50 9.383 -0.669 6.120 1.00 31.24 H new ATOM 0 HB1 ALA A 50 11.150 -1.540 4.625 1.00 35.03 H new ATOM 0 HB2 ALA A 50 10.434 -0.037 3.996 1.00 35.03 H new ATOM 0 HB3 ALA A 50 12.030 -0.002 4.782 1.00 35.03 H new ATOM 722 N GLY A 51 12.096 -0.128 7.844 1.00 74.32 N ATOM 723 CA GLY A 51 12.913 -0.659 8.919 1.00 61.11 C ATOM 724 C GLY A 51 12.084 -1.276 10.028 1.00 53.42 C ATOM 725 O GLY A 51 12.408 -2.351 10.530 1.00 4.14 O ATOM 0 H GLY A 51 12.289 0.843 7.598 1.00 74.32 H new ATOM 0 HA2 GLY A 51 13.593 -1.410 8.517 1.00 61.11 H new ATOM 0 HA3 GLY A 51 13.529 0.140 9.332 1.00 61.11 H new ATOM 729 N ALA A 52 11.010 -0.592 10.412 1.00 63.34 N ATOM 730 CA ALA A 52 10.132 -1.079 11.468 1.00 70.41 C ATOM 731 C ALA A 52 9.021 -1.954 10.898 1.00 74.22 C ATOM 732 O ALA A 52 8.767 -3.054 11.391 1.00 65.21 O ATOM 733 CB ALA A 52 9.541 0.089 12.244 1.00 64.52 C ATOM 0 H ALA A 52 10.728 0.301 10.007 1.00 63.34 H new ATOM 0 HA ALA A 52 10.726 -1.689 12.148 1.00 70.41 H new ATOM 0 HB1 ALA A 52 8.887 -0.290 13.030 1.00 64.52 H new ATOM 0 HB2 ALA A 52 10.345 0.673 12.691 1.00 64.52 H new ATOM 0 HB3 ALA A 52 8.966 0.722 11.568 1.00 64.52 H new ATOM 739 N LEU A 53 8.359 -1.459 9.857 1.00 23.15 N ATOM 740 CA LEU A 53 7.273 -2.196 9.220 1.00 4.21 C ATOM 741 C LEU A 53 7.255 -1.945 7.716 1.00 62.55 C ATOM 742 O LEU A 53 6.962 -0.840 7.263 1.00 14.34 O ATOM 743 CB LEU A 53 5.930 -1.794 9.832 1.00 42.02 C ATOM 744 CG LEU A 53 4.790 -2.799 9.667 1.00 71.32 C ATOM 745 CD1 LEU A 53 4.882 -3.889 10.724 1.00 52.13 C ATOM 746 CD2 LEU A 53 3.443 -2.095 9.740 1.00 1.21 C ATOM 0 H LEU A 53 8.555 -0.551 9.437 1.00 23.15 H new ATOM 0 HA LEU A 53 7.439 -3.260 9.391 1.00 4.21 H new ATOM 0 HB2 LEU A 53 6.078 -1.614 10.897 1.00 42.02 H new ATOM 0 HB3 LEU A 53 5.620 -0.847 9.389 1.00 42.02 H new ATOM 0 HG LEU A 53 4.881 -3.264 8.686 1.00 71.32 H new ATOM 0 HD11 LEU A 53 4.062 -4.595 10.591 1.00 52.13 H new ATOM 0 HD12 LEU A 53 5.832 -4.413 10.624 1.00 52.13 H new ATOM 0 HD13 LEU A 53 4.817 -3.441 11.715 1.00 52.13 H new ATOM 0 HD21 LEU A 53 2.643 -2.826 9.621 1.00 1.21 H new ATOM 0 HD22 LEU A 53 3.342 -1.602 10.707 1.00 1.21 H new ATOM 0 HD23 LEU A 53 3.377 -1.352 8.945 1.00 1.21 H new ATOM 758 N GLY A 54 7.569 -2.982 6.944 1.00 23.13 N ATOM 759 CA GLY A 54 7.581 -2.855 5.499 1.00 50.43 C ATOM 760 C GLY A 54 6.210 -2.541 4.933 1.00 31.33 C ATOM 761 O GLY A 54 5.244 -2.386 5.680 1.00 71.33 O ATOM 0 H GLY A 54 7.815 -3.908 7.295 1.00 23.13 H new ATOM 0 HA2 GLY A 54 8.278 -2.068 5.212 1.00 50.43 H new ATOM 0 HA3 GLY A 54 7.949 -3.782 5.059 1.00 50.43 H new ATOM 765 N ALA A 55 6.125 -2.446 3.610 1.00 33.34 N ATOM 766 CA ALA A 55 4.862 -2.150 2.946 1.00 50.44 C ATOM 767 C ALA A 55 3.808 -3.202 3.274 1.00 1.31 C ATOM 768 O ALA A 55 3.818 -4.301 2.719 1.00 42.12 O ATOM 769 CB ALA A 55 5.067 -2.057 1.441 1.00 52.12 C ATOM 0 H ALA A 55 6.916 -2.570 2.977 1.00 33.34 H new ATOM 0 HA ALA A 55 4.504 -1.189 3.314 1.00 50.44 H new ATOM 0 HB1 ALA A 55 4.116 -1.836 0.957 1.00 52.12 H new ATOM 0 HB2 ALA A 55 5.780 -1.263 1.219 1.00 52.12 H new ATOM 0 HB3 ALA A 55 5.452 -3.006 1.067 1.00 52.12 H new ATOM 775 N THR A 56 2.899 -2.859 4.181 1.00 13.23 N ATOM 776 CA THR A 56 1.839 -3.774 4.585 1.00 22.33 C ATOM 777 C THR A 56 0.740 -3.842 3.532 1.00 55.23 C ATOM 778 O THR A 56 -0.410 -3.491 3.797 1.00 4.41 O ATOM 779 CB THR A 56 1.219 -3.357 5.932 1.00 2.31 C ATOM 780 OG1 THR A 56 0.102 -4.199 6.239 1.00 3.43 O ATOM 781 CG2 THR A 56 0.770 -1.904 5.894 1.00 42.22 C ATOM 0 H THR A 56 2.876 -1.954 4.650 1.00 13.23 H new ATOM 0 HA THR A 56 2.296 -4.758 4.693 1.00 22.33 H new ATOM 0 HB THR A 56 1.979 -3.466 6.706 1.00 2.31 H new ATOM 0 HG1 THR A 56 -0.597 -4.075 5.563 1.00 3.43 H new ATOM 0 HG21 THR A 56 0.335 -1.632 6.856 1.00 42.22 H new ATOM 0 HG22 THR A 56 1.628 -1.263 5.689 1.00 42.22 H new ATOM 0 HG23 THR A 56 0.025 -1.774 5.109 1.00 42.22 H new ATOM 789 N ALA A 57 1.099 -4.296 2.336 1.00 44.03 N ATOM 790 CA ALA A 57 0.142 -4.412 1.243 1.00 71.01 C ATOM 791 C ALA A 57 -0.386 -3.043 0.827 1.00 5.14 C ATOM 792 O ALA A 57 -1.483 -2.929 0.283 1.00 72.32 O ATOM 793 CB ALA A 57 -1.009 -5.324 1.644 1.00 44.53 C ATOM 0 H ALA A 57 2.047 -4.590 2.099 1.00 44.03 H new ATOM 0 HA ALA A 57 0.657 -4.849 0.387 1.00 71.01 H new ATOM 0 HB1 ALA A 57 -1.716 -5.402 0.818 1.00 44.53 H new ATOM 0 HB2 ALA A 57 -0.622 -6.314 1.885 1.00 44.53 H new ATOM 0 HB3 ALA A 57 -1.514 -4.910 2.517 1.00 44.53 H new ATOM 799 N ALA A 58 0.403 -2.006 1.089 1.00 44.24 N ATOM 800 CA ALA A 58 0.016 -0.644 0.740 1.00 20.44 C ATOM 801 C ALA A 58 0.253 -0.368 -0.740 1.00 43.13 C ATOM 802 O ALA A 58 -0.669 0.003 -1.468 1.00 22.21 O ATOM 803 CB ALA A 58 0.779 0.356 1.595 1.00 3.51 C ATOM 0 H ALA A 58 1.314 -2.083 1.542 1.00 44.24 H new ATOM 0 HA ALA A 58 -1.051 -0.534 0.936 1.00 20.44 H new ATOM 0 HB1 ALA A 58 0.481 1.369 1.324 1.00 3.51 H new ATOM 0 HB2 ALA A 58 0.555 0.181 2.647 1.00 3.51 H new ATOM 0 HB3 ALA A 58 1.849 0.236 1.427 1.00 3.51 H new