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+ -130:sc= -0.184 (180deg=-1.28) USER MOD Single : A 2 TYR OH : rot 130:sc= -0.274 USER MOD Single : A 7 GLN : amide:sc= -0.0459 K(o=-0.046,f=-0.94) USER MOD Single : A 11 HIS : no HD1:sc= -0.0199 X(o=-0.02,f=0) USER MOD Single : A 14 THR OG1 : rot -60:sc= 0.783 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.216 (180deg=-0.981) USER MOD Single : A 26 SER OG : rot -86:sc= 0.425 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 120:sc= -2.1! USER MOD Single : A 56 THR OG1 : rot -58:sc= 0.69 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.034 0.811 -0.572 1.00 33.12 N ATOM 2 CA ILE A 1 1.806 0.993 -1.794 1.00 63.34 C ATOM 3 C ILE A 1 1.482 -0.092 -2.816 1.00 22.33 C ATOM 4 O ILE A 1 1.589 0.125 -4.023 1.00 13.21 O ATOM 5 CB ILE A 1 3.320 0.980 -1.511 1.00 60.40 C ATOM 6 CG1 ILE A 1 3.686 2.093 -0.527 1.00 65.33 C ATOM 7 CG2 ILE A 1 4.103 1.131 -2.807 1.00 13.53 C ATOM 8 CD1 ILE A 1 3.444 3.483 -1.071 1.00 3.41 C ATOM 0 H1 ILE A 1 0.575 1.708 -0.315 1.00 33.12 H new ATOM 0 H3 ILE A 1 1.667 0.513 0.197 1.00 33.12 H new ATOM 0 HA ILE A 1 1.529 1.966 -2.200 1.00 63.34 H new ATOM 0 HB ILE A 1 3.583 0.023 -1.061 1.00 60.40 H new ATOM 0 HG12 ILE A 1 3.107 1.963 0.387 1.00 65.33 H new ATOM 0 HG13 ILE A 1 4.737 1.996 -0.255 1.00 65.33 H new ATOM 0 HG21 ILE A 1 5.171 1.120 -2.590 1.00 13.53 H new ATOM 0 HG22 ILE A 1 3.860 0.306 -3.477 1.00 13.53 H new ATOM 0 HG23 ILE A 1 3.839 2.075 -3.284 1.00 13.53 H new ATOM 0 HD11 ILE A 1 3.725 4.222 -0.320 1.00 3.41 H new ATOM 0 HD12 ILE A 1 4.044 3.632 -1.969 1.00 3.41 H new ATOM 0 HD13 ILE A 1 2.388 3.599 -1.316 1.00 3.41 H new ATOM 20 N TYR A 2 1.085 -1.260 -2.324 1.00 32.33 N ATOM 21 CA TYR A 2 0.745 -2.380 -3.193 1.00 62.34 C ATOM 22 C TYR A 2 -0.664 -2.225 -3.756 1.00 72.14 C ATOM 23 O TYR A 2 -1.123 -3.050 -4.547 1.00 1.30 O ATOM 24 CB TYR A 2 0.858 -3.700 -2.428 1.00 42.11 C ATOM 25 CG TYR A 2 2.267 -4.026 -1.988 1.00 5.33 C ATOM 26 CD1 TYR A 2 2.823 -3.421 -0.867 1.00 43.41 C ATOM 27 CD2 TYR A 2 3.043 -4.938 -2.692 1.00 45.33 C ATOM 28 CE1 TYR A 2 4.111 -3.715 -0.461 1.00 53.52 C ATOM 29 CE2 TYR A 2 4.331 -5.239 -2.293 1.00 1.21 C ATOM 30 CZ TYR A 2 4.860 -4.625 -1.177 1.00 43.40 C ATOM 31 OH TYR A 2 6.143 -4.921 -0.777 1.00 2.22 O ATOM 0 H TYR A 2 0.991 -1.456 -1.327 1.00 32.33 H new ATOM 0 HA TYR A 2 1.450 -2.388 -4.024 1.00 62.34 H new ATOM 0 HB2 TYR A 2 0.213 -3.658 -1.550 1.00 42.11 H new ATOM 0 HB3 TYR A 2 0.487 -4.508 -3.058 1.00 42.11 H new ATOM 0 HD1 TYR A 2 2.238 -2.709 -0.303 1.00 43.41 H new ATOM 0 HD2 TYR A 2 2.632 -5.420 -3.567 1.00 45.33 H new ATOM 0 HE1 TYR A 2 4.528 -3.235 0.412 1.00 53.52 H new ATOM 0 HE2 TYR A 2 4.920 -5.951 -2.852 1.00 1.21 H new ATOM 0 HH TYR A 2 6.254 -5.893 -0.729 1.00 2.22 H new ATOM 41 N TRP A 3 -1.345 -1.162 -3.344 1.00 21.24 N ATOM 42 CA TRP A 3 -2.702 -0.897 -3.807 1.00 34.03 C ATOM 43 C TRP A 3 -2.739 0.330 -4.711 1.00 11.11 C ATOM 44 O TRP A 3 -3.513 0.385 -5.667 1.00 34.32 O ATOM 45 CB TRP A 3 -3.640 -0.696 -2.615 1.00 4.12 C ATOM 46 CG TRP A 3 -5.064 -0.454 -3.013 1.00 71.25 C ATOM 47 CD1 TRP A 3 -6.004 -1.400 -3.308 1.00 53.33 C ATOM 48 CD2 TRP A 3 -5.708 0.816 -3.163 1.00 35.44 C ATOM 49 NE1 TRP A 3 -7.195 -0.794 -3.632 1.00 24.11 N ATOM 50 CE2 TRP A 3 -7.040 0.564 -3.549 1.00 44.31 C ATOM 51 CE3 TRP A 3 -5.292 2.140 -3.005 1.00 45.02 C ATOM 52 CZ2 TRP A 3 -7.953 1.589 -3.781 1.00 11.11 C ATOM 53 CZ3 TRP A 3 -6.199 3.156 -3.236 1.00 33.00 C ATOM 54 CH2 TRP A 3 -7.518 2.876 -3.620 1.00 3.45 C ATOM 0 H TRP A 3 -0.980 -0.470 -2.690 1.00 21.24 H new ATOM 0 HA TRP A 3 -3.037 -1.760 -4.383 1.00 34.03 H new ATOM 0 HB2 TRP A 3 -3.594 -1.576 -1.974 1.00 4.12 H new ATOM 0 HB3 TRP A 3 -3.287 0.149 -2.023 1.00 4.12 H new ATOM 0 HD1 TRP A 3 -5.837 -2.467 -3.290 1.00 53.33 H new ATOM 0 HE1 TRP A 3 -8.055 -1.278 -3.892 1.00 24.11 H new ATOM 0 HE3 TRP A 3 -4.279 2.366 -2.707 1.00 45.02 H new ATOM 0 HZ2 TRP A 3 -8.969 1.376 -4.078 1.00 11.11 H new ATOM 0 HZ3 TRP A 3 -5.887 4.183 -3.119 1.00 33.00 H new ATOM 0 HH2 TRP A 3 -8.204 3.692 -3.792 1.00 3.45 H new ATOM 65 N ILE A 4 -1.898 1.312 -4.403 1.00 73.22 N ATOM 66 CA ILE A 4 -1.835 2.537 -5.190 1.00 1.32 C ATOM 67 C ILE A 4 -1.206 2.282 -6.555 1.00 41.03 C ATOM 68 O ILE A 4 -1.629 2.851 -7.561 1.00 73.21 O ATOM 69 CB ILE A 4 -1.031 3.632 -4.463 1.00 70.33 C ATOM 70 CG1 ILE A 4 -1.750 4.058 -3.182 1.00 33.53 C ATOM 71 CG2 ILE A 4 -0.817 4.827 -5.379 1.00 45.51 C ATOM 72 CD1 ILE A 4 -0.948 3.802 -1.925 1.00 41.21 C ATOM 0 H ILE A 4 -1.251 1.283 -3.615 1.00 73.22 H new ATOM 0 HA ILE A 4 -2.861 2.879 -5.324 1.00 1.32 H new ATOM 0 HB ILE A 4 -0.056 3.227 -4.192 1.00 70.33 H new ATOM 0 HG12 ILE A 4 -1.985 5.121 -3.243 1.00 33.53 H new ATOM 0 HG13 ILE A 4 -2.698 3.525 -3.113 1.00 33.53 H new ATOM 0 HG21 ILE A 4 -0.248 5.592 -4.852 1.00 45.51 H new ATOM 0 HG22 ILE A 4 -0.267 4.512 -6.266 1.00 45.51 H new ATOM 0 HG23 ILE A 4 -1.783 5.234 -5.677 1.00 45.51 H new ATOM 0 HD11 ILE A 4 -1.519 4.128 -1.056 1.00 41.21 H new ATOM 0 HD12 ILE A 4 -0.735 2.736 -1.840 1.00 41.21 H new ATOM 0 HD13 ILE A 4 -0.011 4.357 -1.972 1.00 41.21 H new ATOM 84 N ALA A 5 -0.194 1.421 -6.583 1.00 4.42 N ATOM 85 CA ALA A 5 0.491 1.087 -7.825 1.00 45.32 C ATOM 86 C ALA A 5 -0.462 0.433 -8.819 1.00 60.40 C ATOM 87 O ALA A 5 -0.192 0.395 -10.020 1.00 35.23 O ATOM 88 CB ALA A 5 1.675 0.173 -7.546 1.00 2.12 C ATOM 0 H ALA A 5 0.170 0.942 -5.759 1.00 4.42 H new ATOM 0 HA ALA A 5 0.858 2.013 -8.269 1.00 45.32 H new ATOM 0 HB1 ALA A 5 2.177 -0.068 -8.483 1.00 2.12 H new ATOM 0 HB2 ALA A 5 2.374 0.677 -6.879 1.00 2.12 H new ATOM 0 HB3 ALA A 5 1.323 -0.745 -7.076 1.00 2.12 H new ATOM 94 N ASP A 6 -1.576 -0.082 -8.311 1.00 73.32 N ATOM 95 CA ASP A 6 -2.570 -0.736 -9.155 1.00 14.52 C ATOM 96 C ASP A 6 -3.569 0.279 -9.703 1.00 42.14 C ATOM 97 O ASP A 6 -3.586 0.561 -10.901 1.00 43.22 O ATOM 98 CB ASP A 6 -3.307 -1.819 -8.366 1.00 20.30 C ATOM 99 CG ASP A 6 -4.075 -2.768 -9.265 1.00 35.14 C ATOM 100 OD1 ASP A 6 -4.445 -2.356 -10.384 1.00 32.03 O ATOM 101 OD2 ASP A 6 -4.308 -3.923 -8.848 1.00 41.43 O ATOM 0 H ASP A 6 -1.814 -0.059 -7.319 1.00 73.32 H new ATOM 0 HA ASP A 6 -2.050 -1.199 -9.994 1.00 14.52 H new ATOM 0 HB2 ASP A 6 -2.588 -2.386 -7.774 1.00 20.30 H new ATOM 0 HB3 ASP A 6 -3.997 -1.348 -7.665 1.00 20.30 H new ATOM 106 N GLN A 7 -4.399 0.822 -8.819 1.00 41.41 N ATOM 107 CA GLN A 7 -5.401 1.804 -9.216 1.00 14.10 C ATOM 108 C GLN A 7 -4.751 2.995 -9.912 1.00 51.21 C ATOM 109 O GLN A 7 -5.010 3.258 -11.087 1.00 23.22 O ATOM 110 CB GLN A 7 -6.191 2.280 -7.995 1.00 42.33 C ATOM 111 CG GLN A 7 -6.841 1.151 -7.213 1.00 24.35 C ATOM 112 CD GLN A 7 -8.052 0.573 -7.918 1.00 43.11 C ATOM 113 OE1 GLN A 7 -7.929 -0.065 -8.964 1.00 34.31 O ATOM 114 NE2 GLN A 7 -9.231 0.794 -7.348 1.00 45.43 N ATOM 0 H GLN A 7 -4.398 0.599 -7.824 1.00 41.41 H new ATOM 0 HA GLN A 7 -6.084 1.325 -9.918 1.00 14.10 H new ATOM 0 HB2 GLN A 7 -5.523 2.832 -7.333 1.00 42.33 H new ATOM 0 HB3 GLN A 7 -6.963 2.976 -8.321 1.00 42.33 H new ATOM 0 HG2 GLN A 7 -6.109 0.360 -7.049 1.00 24.35 H new ATOM 0 HG3 GLN A 7 -7.139 1.519 -6.231 1.00 24.35 H new ATOM 0 HE21 GLN A 7 -9.286 1.328 -6.481 1.00 45.43 H new ATOM 0 HE22 GLN A 7 -10.081 0.429 -7.777 1.00 45.43 H new ATOM 123 N PHE A 8 -3.906 3.713 -9.180 1.00 13.34 N ATOM 124 CA PHE A 8 -3.220 4.878 -9.726 1.00 63.14 C ATOM 125 C PHE A 8 -2.060 4.454 -10.623 1.00 2.42 C ATOM 126 O PHE A 8 -2.119 4.599 -11.843 1.00 71.30 O ATOM 127 CB PHE A 8 -2.705 5.771 -8.595 1.00 73.33 C ATOM 128 CG PHE A 8 -3.772 6.173 -7.617 1.00 25.22 C ATOM 129 CD1 PHE A 8 -4.122 5.335 -6.571 1.00 21.15 C ATOM 130 CD2 PHE A 8 -4.424 7.389 -7.744 1.00 21.32 C ATOM 131 CE1 PHE A 8 -5.102 5.702 -5.668 1.00 54.01 C ATOM 132 CE2 PHE A 8 -5.405 7.761 -6.844 1.00 42.33 C ATOM 133 CZ PHE A 8 -5.745 6.916 -5.806 1.00 14.51 C ATOM 0 H PHE A 8 -3.680 3.508 -8.207 1.00 13.34 H new ATOM 0 HA PHE A 8 -3.935 5.441 -10.326 1.00 63.14 H new ATOM 0 HB2 PHE A 8 -1.912 5.247 -8.061 1.00 73.33 H new ATOM 0 HB3 PHE A 8 -2.260 6.668 -9.025 1.00 73.33 H new ATOM 0 HD1 PHE A 8 -3.623 4.384 -6.460 1.00 21.15 H new ATOM 0 HD2 PHE A 8 -4.163 8.053 -8.555 1.00 21.32 H new ATOM 0 HE1 PHE A 8 -5.364 5.040 -4.856 1.00 54.01 H new ATOM 0 HE2 PHE A 8 -5.905 8.712 -6.953 1.00 42.33 H new ATOM 0 HZ PHE A 8 -6.513 7.204 -5.103 1.00 14.51 H new ATOM 143 N GLY A 9 -1.004 3.931 -10.007 1.00 31.32 N ATOM 144 CA GLY A 9 0.155 3.495 -10.763 1.00 62.20 C ATOM 145 C GLY A 9 0.768 4.614 -11.581 1.00 70.14 C ATOM 146 O GLY A 9 0.358 4.857 -12.717 1.00 5.10 O ATOM 0 H GLY A 9 -0.931 3.802 -8.998 1.00 31.32 H new ATOM 0 HA2 GLY A 9 0.904 3.098 -10.078 1.00 62.20 H new ATOM 0 HA3 GLY A 9 -0.134 2.680 -11.427 1.00 62.20 H new ATOM 150 N ILE A 10 1.750 5.297 -11.004 1.00 42.51 N ATOM 151 CA ILE A 10 2.419 6.397 -11.688 1.00 4.22 C ATOM 152 C ILE A 10 3.775 5.961 -12.234 1.00 53.42 C ATOM 153 O ILE A 10 4.814 6.221 -11.627 1.00 11.43 O ATOM 154 CB ILE A 10 2.620 7.603 -10.751 1.00 52.55 C ATOM 155 CG1 ILE A 10 1.275 8.071 -10.192 1.00 11.24 C ATOM 156 CG2 ILE A 10 3.315 8.737 -11.490 1.00 4.30 C ATOM 157 CD1 ILE A 10 1.405 9.026 -9.026 1.00 11.31 C ATOM 0 H ILE A 10 2.100 5.109 -10.065 1.00 42.51 H new ATOM 0 HA ILE A 10 1.774 6.693 -12.516 1.00 4.22 H new ATOM 0 HB ILE A 10 3.252 7.296 -9.918 1.00 52.55 H new ATOM 0 HG12 ILE A 10 0.709 8.556 -10.987 1.00 11.24 H new ATOM 0 HG13 ILE A 10 0.699 7.201 -9.876 1.00 11.24 H new ATOM 0 HG21 ILE A 10 3.450 9.582 -10.815 1.00 4.30 H new ATOM 0 HG22 ILE A 10 4.288 8.397 -11.845 1.00 4.30 H new ATOM 0 HG23 ILE A 10 2.706 9.045 -12.340 1.00 4.30 H new ATOM 0 HD11 ILE A 10 0.413 9.316 -8.681 1.00 11.31 H new ATOM 0 HD12 ILE A 10 1.943 8.537 -8.214 1.00 11.31 H new ATOM 0 HD13 ILE A 10 1.953 9.914 -9.342 1.00 11.31 H new ATOM 169 N HIS A 11 3.757 5.298 -13.386 1.00 52.21 N ATOM 170 CA HIS A 11 4.985 4.828 -14.017 1.00 22.03 C ATOM 171 C HIS A 11 5.744 3.883 -13.090 1.00 62.11 C ATOM 172 O HIS A 11 6.964 3.742 -13.193 1.00 75.14 O ATOM 173 CB HIS A 11 5.874 6.012 -14.396 1.00 4.51 C ATOM 174 CG HIS A 11 5.259 6.921 -15.415 1.00 41.30 C ATOM 175 ND1 HIS A 11 5.780 8.158 -15.733 1.00 20.21 N ATOM 176 CD2 HIS A 11 4.161 6.767 -16.191 1.00 33.32 C ATOM 177 CE1 HIS A 11 5.028 8.725 -16.659 1.00 13.22 C ATOM 178 NE2 HIS A 11 4.039 7.901 -16.954 1.00 54.45 N ATOM 0 H HIS A 11 2.906 5.074 -13.901 1.00 52.21 H new ATOM 0 HA HIS A 11 4.714 4.283 -14.921 1.00 22.03 H new ATOM 0 HB2 HIS A 11 6.101 6.587 -13.498 1.00 4.51 H new ATOM 0 HB3 HIS A 11 6.821 5.636 -14.782 1.00 4.51 H new ATOM 0 HD2 HIS A 11 3.503 5.911 -16.207 1.00 33.32 H new ATOM 0 HE1 HIS A 11 5.194 9.697 -17.100 1.00 13.22 H new ATOM 0 HE2 HIS A 11 3.304 8.079 -17.638 1.00 54.45 H new ATOM 186 N LEU A 12 5.016 3.238 -12.185 1.00 42.41 N ATOM 187 CA LEU A 12 5.621 2.307 -11.239 1.00 72.22 C ATOM 188 C LEU A 12 6.456 1.258 -11.966 1.00 43.03 C ATOM 189 O LEU A 12 6.081 0.785 -13.039 1.00 13.25 O ATOM 190 CB LEU A 12 4.537 1.623 -10.404 1.00 24.44 C ATOM 191 CG LEU A 12 4.802 1.539 -8.900 1.00 10.31 C ATOM 192 CD1 LEU A 12 6.013 0.664 -8.619 1.00 4.02 C ATOM 193 CD2 LEU A 12 5.000 2.930 -8.315 1.00 55.33 C ATOM 0 H LEU A 12 4.006 3.343 -12.086 1.00 42.41 H new ATOM 0 HA LEU A 12 6.278 2.873 -10.578 1.00 72.22 H new ATOM 0 HB2 LEU A 12 3.598 2.155 -10.558 1.00 24.44 H new ATOM 0 HB3 LEU A 12 4.397 0.611 -10.785 1.00 24.44 H new ATOM 0 HG LEU A 12 3.933 1.086 -8.423 1.00 10.31 H new ATOM 0 HD11 LEU A 12 6.186 0.616 -7.544 1.00 4.02 H new ATOM 0 HD12 LEU A 12 5.833 -0.340 -9.003 1.00 4.02 H new ATOM 0 HD13 LEU A 12 6.890 1.088 -9.109 1.00 4.02 H new ATOM 0 HD21 LEU A 12 5.187 2.851 -7.244 1.00 55.33 H new ATOM 0 HD22 LEU A 12 5.851 3.410 -8.798 1.00 55.33 H new ATOM 0 HD23 LEU A 12 4.103 3.527 -8.483 1.00 55.33 H new ATOM 205 N ALA A 13 7.590 0.898 -11.374 1.00 62.41 N ATOM 206 CA ALA A 13 8.477 -0.098 -11.963 1.00 74.31 C ATOM 207 C ALA A 13 8.049 -1.510 -11.577 1.00 64.31 C ATOM 208 O ALA A 13 8.664 -2.144 -10.718 1.00 13.52 O ATOM 209 CB ALA A 13 9.914 0.156 -11.535 1.00 64.10 C ATOM 0 H ALA A 13 7.916 1.281 -10.487 1.00 62.41 H new ATOM 0 HA ALA A 13 8.412 -0.011 -13.048 1.00 74.31 H new ATOM 0 HB1 ALA A 13 10.565 -0.595 -11.982 1.00 64.10 H new ATOM 0 HB2 ALA A 13 10.223 1.147 -11.867 1.00 64.10 H new ATOM 0 HB3 ALA A 13 9.986 0.098 -10.449 1.00 64.10 H new ATOM 215 N THR A 14 6.992 -2.000 -12.217 1.00 53.50 N ATOM 216 CA THR A 14 6.481 -3.336 -11.939 1.00 41.03 C ATOM 217 C THR A 14 7.053 -4.357 -12.916 1.00 54.15 C ATOM 218 O THR A 14 6.400 -5.345 -13.249 1.00 72.22 O ATOM 219 CB THR A 14 4.943 -3.376 -12.013 1.00 61.43 C ATOM 220 OG1 THR A 14 4.466 -4.660 -11.595 1.00 61.22 O ATOM 221 CG2 THR A 14 4.462 -3.087 -13.427 1.00 14.51 C ATOM 0 H THR A 14 6.473 -1.491 -12.932 1.00 53.50 H new ATOM 0 HA THR A 14 6.795 -3.591 -10.927 1.00 41.03 H new ATOM 0 HB THR A 14 4.549 -2.608 -11.348 1.00 61.43 H new ATOM 0 HG1 THR A 14 4.835 -5.353 -12.182 1.00 61.22 H new ATOM 0 HG21 THR A 14 3.373 -3.121 -13.455 1.00 14.51 H new ATOM 0 HG22 THR A 14 4.802 -2.097 -13.732 1.00 14.51 H new ATOM 0 HG23 THR A 14 4.866 -3.836 -14.109 1.00 14.51 H new ATOM 229 N GLY A 15 8.277 -4.112 -13.373 1.00 41.41 N ATOM 230 CA GLY A 15 8.916 -5.019 -14.308 1.00 30.53 C ATOM 231 C GLY A 15 10.310 -5.420 -13.866 1.00 75.20 C ATOM 232 O GLY A 15 10.741 -6.551 -14.094 1.00 33.13 O ATOM 0 H GLY A 15 8.838 -3.301 -13.112 1.00 41.41 H new ATOM 0 HA2 GLY A 15 8.302 -5.913 -14.419 1.00 30.53 H new ATOM 0 HA3 GLY A 15 8.971 -4.546 -15.288 1.00 30.53 H new ATOM 236 N THR A 16 11.018 -4.490 -13.233 1.00 65.51 N ATOM 237 CA THR A 16 12.372 -4.751 -12.761 1.00 64.31 C ATOM 238 C THR A 16 12.397 -4.963 -11.252 1.00 2.03 C ATOM 239 O THR A 16 12.679 -6.061 -10.774 1.00 61.50 O ATOM 240 CB THR A 16 13.325 -3.596 -13.122 1.00 24.12 C ATOM 241 OG1 THR A 16 13.125 -3.203 -14.484 1.00 40.00 O ATOM 242 CG2 THR A 16 14.776 -4.006 -12.915 1.00 74.41 C ATOM 0 H THR A 16 10.676 -3.549 -13.035 1.00 65.51 H new ATOM 0 HA THR A 16 12.710 -5.660 -13.258 1.00 64.31 H new ATOM 0 HB THR A 16 13.105 -2.754 -12.465 1.00 24.12 H new ATOM 0 HG1 THR A 16 13.733 -2.467 -14.705 1.00 40.00 H new ATOM 0 HG21 THR A 16 15.430 -3.174 -13.176 1.00 74.41 H new ATOM 0 HG22 THR A 16 14.932 -4.276 -11.871 1.00 74.41 H new ATOM 0 HG23 THR A 16 15.006 -4.862 -13.549 1.00 74.41 H new ATOM 250 N ALA A 17 12.100 -3.904 -10.505 1.00 74.34 N ATOM 251 CA ALA A 17 12.085 -3.976 -9.050 1.00 2.44 C ATOM 252 C ALA A 17 11.145 -5.073 -8.563 1.00 20.10 C ATOM 253 O ALA A 17 11.289 -5.578 -7.449 1.00 70.25 O ATOM 254 CB ALA A 17 11.682 -2.632 -8.459 1.00 71.44 C ATOM 0 H ALA A 17 11.867 -2.986 -10.884 1.00 74.34 H new ATOM 0 HA ALA A 17 13.092 -4.222 -8.713 1.00 2.44 H new ATOM 0 HB1 ALA A 17 11.675 -2.700 -7.371 1.00 71.44 H new ATOM 0 HB2 ALA A 17 12.396 -1.869 -8.770 1.00 71.44 H new ATOM 0 HB3 ALA A 17 10.686 -2.363 -8.812 1.00 71.44 H new ATOM 260 N ARG A 18 10.182 -5.437 -9.404 1.00 24.11 N ATOM 261 CA ARG A 18 9.217 -6.474 -9.058 1.00 4.30 C ATOM 262 C ARG A 18 9.926 -7.742 -8.590 1.00 52.32 C ATOM 263 O ARG A 18 9.441 -8.446 -7.705 1.00 32.34 O ATOM 264 CB ARG A 18 8.324 -6.789 -10.259 1.00 34.53 C ATOM 265 CG ARG A 18 6.913 -6.240 -10.129 1.00 15.22 C ATOM 266 CD ARG A 18 6.049 -7.125 -9.244 1.00 1.13 C ATOM 267 NE ARG A 18 5.292 -8.103 -10.020 1.00 63.41 N ATOM 268 CZ ARG A 18 4.301 -8.831 -9.518 1.00 72.45 C ATOM 269 NH1 ARG A 18 3.948 -8.691 -8.248 1.00 62.51 N ATOM 270 NH2 ARG A 18 3.660 -9.701 -10.288 1.00 75.24 N ATOM 0 H ARG A 18 10.049 -5.029 -10.329 1.00 24.11 H new ATOM 0 HA ARG A 18 8.598 -6.103 -8.241 1.00 4.30 H new ATOM 0 HB2 ARG A 18 8.783 -6.380 -11.159 1.00 34.53 H new ATOM 0 HB3 ARG A 18 8.274 -7.870 -10.390 1.00 34.53 H new ATOM 0 HG2 ARG A 18 6.950 -5.233 -9.713 1.00 15.22 H new ATOM 0 HG3 ARG A 18 6.460 -6.160 -11.117 1.00 15.22 H new ATOM 0 HD2 ARG A 18 6.681 -7.645 -8.524 1.00 1.13 H new ATOM 0 HD3 ARG A 18 5.359 -6.503 -8.673 1.00 1.13 H new ATOM 0 HE ARG A 18 5.538 -8.234 -11.001 1.00 63.41 H new ATOM 0 HH11 ARG A 18 4.438 -8.023 -7.653 1.00 62.51 H new ATOM 0 HH12 ARG A 18 3.186 -9.252 -7.866 1.00 62.51 H new ATOM 0 HH21 ARG A 18 3.928 -9.811 -11.266 1.00 75.24 H new ATOM 0 HH22 ARG A 18 2.899 -10.260 -9.902 1.00 75.24 H new ATOM 284 N LYS A 19 11.076 -8.027 -9.192 1.00 12.25 N ATOM 285 CA LYS A 19 11.853 -9.209 -8.837 1.00 55.23 C ATOM 286 C LYS A 19 12.536 -9.026 -7.486 1.00 11.01 C ATOM 287 O LYS A 19 12.700 -9.982 -6.727 1.00 72.42 O ATOM 288 CB LYS A 19 12.900 -9.498 -9.915 1.00 74.22 C ATOM 289 CG LYS A 19 14.054 -8.511 -9.922 1.00 60.23 C ATOM 290 CD LYS A 19 14.523 -8.211 -11.336 1.00 73.43 C ATOM 291 CE LYS A 19 15.584 -9.201 -11.793 1.00 53.33 C ATOM 292 NZ LYS A 19 15.056 -10.592 -11.854 1.00 13.22 N ATOM 0 H LYS A 19 11.491 -7.455 -9.928 1.00 12.25 H new ATOM 0 HA LYS A 19 11.169 -10.055 -8.766 1.00 55.23 H new ATOM 0 HB2 LYS A 19 13.294 -10.504 -9.767 1.00 74.22 H new ATOM 0 HB3 LYS A 19 12.416 -9.486 -10.892 1.00 74.22 H new ATOM 0 HG2 LYS A 19 13.745 -7.585 -9.436 1.00 60.23 H new ATOM 0 HG3 LYS A 19 14.883 -8.915 -9.341 1.00 60.23 H new ATOM 0 HD2 LYS A 19 13.673 -8.246 -12.018 1.00 73.43 H new ATOM 0 HD3 LYS A 19 14.925 -7.199 -11.380 1.00 73.43 H new ATOM 0 HE2 LYS A 19 15.953 -8.909 -12.776 1.00 53.33 H new ATOM 0 HE3 LYS A 19 16.433 -9.164 -11.110 1.00 53.33 H new ATOM 0 HZ1 LYS A 19 15.655 -11.163 -12.483 1.00 13.22 H new ATOM 0 HZ2 LYS A 19 15.061 -11.007 -10.901 1.00 13.22 H new ATOM 0 HZ3 LYS A 19 14.083 -10.578 -12.221 1.00 13.22 H new ATOM 306 N LEU A 20 12.931 -7.793 -7.190 1.00 44.23 N ATOM 307 CA LEU A 20 13.596 -7.484 -5.929 1.00 31.22 C ATOM 308 C LEU A 20 12.658 -7.716 -4.748 1.00 41.03 C ATOM 309 O LEU A 20 13.054 -8.282 -3.729 1.00 21.52 O ATOM 310 CB LEU A 20 14.086 -6.035 -5.929 1.00 33.02 C ATOM 311 CG LEU A 20 15.388 -5.767 -6.684 1.00 52.40 C ATOM 312 CD1 LEU A 20 15.738 -4.288 -6.635 1.00 40.53 C ATOM 313 CD2 LEU A 20 16.521 -6.604 -6.108 1.00 74.03 C ATOM 0 H LEU A 20 12.802 -6.990 -7.806 1.00 44.23 H new ATOM 0 HA LEU A 20 14.453 -8.150 -5.826 1.00 31.22 H new ATOM 0 HB2 LEU A 20 13.305 -5.408 -6.359 1.00 33.02 H new ATOM 0 HB3 LEU A 20 14.217 -5.717 -4.895 1.00 33.02 H new ATOM 0 HG LEU A 20 15.246 -6.052 -7.726 1.00 52.40 H new ATOM 0 HD11 LEU A 20 16.668 -4.116 -7.177 1.00 40.53 H new ATOM 0 HD12 LEU A 20 14.937 -3.709 -7.095 1.00 40.53 H new ATOM 0 HD13 LEU A 20 15.861 -3.977 -5.597 1.00 40.53 H new ATOM 0 HD21 LEU A 20 17.440 -6.400 -6.658 1.00 74.03 H new ATOM 0 HD22 LEU A 20 16.663 -6.350 -5.057 1.00 74.03 H new ATOM 0 HD23 LEU A 20 16.273 -7.662 -6.196 1.00 74.03 H new ATOM 325 N LEU A 21 11.413 -7.277 -4.894 1.00 11.43 N ATOM 326 CA LEU A 21 10.417 -7.438 -3.840 1.00 73.13 C ATOM 327 C LEU A 21 10.087 -8.912 -3.623 1.00 44.45 C ATOM 328 O LEU A 21 9.469 -9.279 -2.625 1.00 33.24 O ATOM 329 CB LEU A 21 9.144 -6.666 -4.192 1.00 0.30 C ATOM 330 CG LEU A 21 9.169 -5.164 -3.905 1.00 22.14 C ATOM 331 CD1 LEU A 21 8.037 -4.461 -4.638 1.00 24.21 C ATOM 332 CD2 LEU A 21 9.079 -4.906 -2.408 1.00 13.04 C ATOM 0 H LEU A 21 11.069 -6.807 -5.731 1.00 11.43 H new ATOM 0 HA LEU A 21 10.834 -7.038 -2.916 1.00 73.13 H new ATOM 0 HB2 LEU A 21 8.937 -6.810 -5.253 1.00 0.30 H new ATOM 0 HB3 LEU A 21 8.312 -7.107 -3.643 1.00 0.30 H new ATOM 0 HG LEU A 21 10.114 -4.760 -4.267 1.00 22.14 H new ATOM 0 HD11 LEU A 21 8.071 -3.393 -4.422 1.00 24.21 H new ATOM 0 HD12 LEU A 21 8.146 -4.617 -5.711 1.00 24.21 H new ATOM 0 HD13 LEU A 21 7.081 -4.868 -4.307 1.00 24.21 H new ATOM 0 HD21 LEU A 21 9.098 -3.832 -2.222 1.00 13.04 H new ATOM 0 HD22 LEU A 21 8.150 -5.325 -2.022 1.00 13.04 H new ATOM 0 HD23 LEU A 21 9.925 -5.376 -1.906 1.00 13.04 H new ATOM 344 N ASP A 22 10.507 -9.751 -4.564 1.00 54.42 N ATOM 345 CA ASP A 22 10.259 -11.185 -4.475 1.00 3.03 C ATOM 346 C ASP A 22 11.516 -11.926 -4.031 1.00 23.55 C ATOM 347 O ASP A 22 11.501 -13.144 -3.856 1.00 21.54 O ATOM 348 CB ASP A 22 9.782 -11.727 -5.823 1.00 41.10 C ATOM 349 CG ASP A 22 9.067 -13.057 -5.692 1.00 22.30 C ATOM 350 OD1 ASP A 22 7.921 -13.069 -5.195 1.00 25.25 O ATOM 351 OD2 ASP A 22 9.653 -14.087 -6.088 1.00 12.43 O ATOM 0 H ASP A 22 11.021 -9.463 -5.397 1.00 54.42 H new ATOM 0 HA ASP A 22 9.480 -11.349 -3.731 1.00 3.03 H new ATOM 0 HB2 ASP A 22 9.113 -11.002 -6.286 1.00 41.10 H new ATOM 0 HB3 ASP A 22 10.638 -11.842 -6.488 1.00 41.10 H new ATOM 356 N ALA A 23 12.603 -11.183 -3.851 1.00 23.20 N ATOM 357 CA ALA A 23 13.868 -11.770 -3.427 1.00 3.25 C ATOM 358 C ALA A 23 14.316 -11.198 -2.086 1.00 2.13 C ATOM 359 O ALA A 23 15.034 -11.852 -1.329 1.00 41.11 O ATOM 360 CB ALA A 23 14.938 -11.540 -4.484 1.00 73.32 C ATOM 0 H ALA A 23 12.633 -10.173 -3.992 1.00 23.20 H new ATOM 0 HA ALA A 23 13.719 -12.843 -3.304 1.00 3.25 H new ATOM 0 HB1 ALA A 23 15.877 -11.984 -4.154 1.00 73.32 H new ATOM 0 HB2 ALA A 23 14.628 -12.002 -5.422 1.00 73.32 H new ATOM 0 HB3 ALA A 23 15.076 -10.469 -4.635 1.00 73.32 H new ATOM 366 N VAL A 24 13.889 -9.973 -1.798 1.00 14.34 N ATOM 367 CA VAL A 24 14.245 -9.313 -0.548 1.00 4.35 C ATOM 368 C VAL A 24 13.419 -9.852 0.614 1.00 31.33 C ATOM 369 O VAL A 24 13.885 -9.899 1.752 1.00 2.22 O ATOM 370 CB VAL A 24 14.046 -7.788 -0.641 1.00 31.32 C ATOM 371 CG1 VAL A 24 15.001 -7.186 -1.660 1.00 1.12 C ATOM 372 CG2 VAL A 24 12.602 -7.461 -0.992 1.00 45.12 C ATOM 0 H VAL A 24 13.296 -9.417 -2.414 1.00 14.34 H new ATOM 0 HA VAL A 24 15.299 -9.524 -0.369 1.00 4.35 H new ATOM 0 HB VAL A 24 14.268 -7.349 0.332 1.00 31.32 H new ATOM 0 HG11 VAL A 24 14.846 -6.108 -1.712 1.00 1.12 H new ATOM 0 HG12 VAL A 24 16.029 -7.391 -1.361 1.00 1.12 H new ATOM 0 HG13 VAL A 24 14.814 -7.627 -2.639 1.00 1.12 H new ATOM 0 HG21 VAL A 24 12.478 -6.380 -1.054 1.00 45.12 H new ATOM 0 HG22 VAL A 24 12.350 -7.910 -1.953 1.00 45.12 H new ATOM 0 HG23 VAL A 24 11.941 -7.858 -0.221 1.00 45.12 H new ATOM 382 N ALA A 25 12.189 -10.260 0.319 1.00 12.32 N ATOM 383 CA ALA A 25 11.297 -10.799 1.339 1.00 44.23 C ATOM 384 C ALA A 25 11.928 -11.997 2.041 1.00 13.53 C ATOM 385 O ALA A 25 11.561 -12.331 3.168 1.00 71.34 O ATOM 386 CB ALA A 25 9.963 -11.189 0.720 1.00 22.33 C ATOM 0 H ALA A 25 11.787 -10.228 -0.618 1.00 12.32 H new ATOM 0 HA ALA A 25 11.125 -10.023 2.085 1.00 44.23 H new ATOM 0 HB1 ALA A 25 9.307 -11.590 1.493 1.00 22.33 H new ATOM 0 HB2 ALA A 25 9.500 -10.311 0.270 1.00 22.33 H new ATOM 0 HB3 ALA A 25 10.125 -11.946 -0.047 1.00 22.33 H new ATOM 392 N SER A 26 12.877 -12.639 1.369 1.00 45.22 N ATOM 393 CA SER A 26 13.556 -13.803 1.927 1.00 13.44 C ATOM 394 C SER A 26 14.556 -13.385 3.001 1.00 20.10 C ATOM 395 O SER A 26 14.772 -14.103 3.977 1.00 44.34 O ATOM 396 CB SER A 26 14.272 -14.581 0.822 1.00 31.11 C ATOM 397 OG SER A 26 15.581 -14.081 0.612 1.00 52.42 O ATOM 0 H SER A 26 13.194 -12.373 0.437 1.00 45.22 H new ATOM 0 HA SER A 26 12.805 -14.446 2.385 1.00 13.44 H new ATOM 0 HB2 SER A 26 14.321 -15.637 1.089 1.00 31.11 H new ATOM 0 HB3 SER A 26 13.701 -14.513 -0.104 1.00 31.11 H new ATOM 0 HG SER A 26 15.548 -13.332 -0.019 1.00 52.42 H new ATOM 403 N GLY A 27 15.164 -12.218 2.813 1.00 40.42 N ATOM 404 CA GLY A 27 16.134 -11.723 3.772 1.00 65.50 C ATOM 405 C GLY A 27 17.034 -10.653 3.187 1.00 11.54 C ATOM 406 O GLY A 27 18.176 -10.925 2.820 1.00 44.30 O ATOM 0 H GLY A 27 15.002 -11.606 2.013 1.00 40.42 H new ATOM 0 HA2 GLY A 27 15.610 -11.319 4.638 1.00 65.50 H new ATOM 0 HA3 GLY A 27 16.745 -12.553 4.127 1.00 65.50 H new ATOM 410 N ALA A 28 16.517 -9.431 3.100 1.00 63.25 N ATOM 411 CA ALA A 28 17.282 -8.316 2.556 1.00 53.33 C ATOM 412 C ALA A 28 16.900 -7.005 3.235 1.00 34.23 C ATOM 413 O ALA A 28 15.765 -6.543 3.120 1.00 54.13 O ATOM 414 CB ALA A 28 17.070 -8.214 1.052 1.00 24.14 C ATOM 0 H ALA A 28 15.572 -9.189 3.399 1.00 63.25 H new ATOM 0 HA ALA A 28 18.338 -8.503 2.752 1.00 53.33 H new ATOM 0 HB1 ALA A 28 17.647 -7.377 0.659 1.00 24.14 H new ATOM 0 HB2 ALA A 28 17.399 -9.137 0.575 1.00 24.14 H new ATOM 0 HB3 ALA A 28 16.012 -8.055 0.844 1.00 24.14 H new ATOM 420 N SER A 29 17.854 -6.411 3.945 1.00 60.53 N ATOM 421 CA SER A 29 17.616 -5.156 4.647 1.00 14.10 C ATOM 422 C SER A 29 18.508 -4.048 4.096 1.00 12.43 C ATOM 423 O SER A 29 19.003 -3.204 4.845 1.00 44.14 O ATOM 424 CB SER A 29 17.866 -5.330 6.146 1.00 30.12 C ATOM 425 OG SER A 29 19.169 -5.831 6.391 1.00 50.41 O ATOM 0 H SER A 29 18.799 -6.779 4.049 1.00 60.53 H new ATOM 0 HA SER A 29 16.575 -4.872 4.490 1.00 14.10 H new ATOM 0 HB2 SER A 29 17.740 -4.373 6.652 1.00 30.12 H new ATOM 0 HB3 SER A 29 17.126 -6.012 6.565 1.00 30.12 H new ATOM 0 HG SER A 29 19.305 -5.932 7.356 1.00 50.41 H new ATOM 431 N LEU A 30 18.708 -4.056 2.783 1.00 1.11 N ATOM 432 CA LEU A 30 19.541 -3.052 2.130 1.00 54.32 C ATOM 433 C LEU A 30 19.103 -1.644 2.520 1.00 12.32 C ATOM 434 O LEU A 30 17.913 -1.375 2.684 1.00 64.35 O ATOM 435 CB LEU A 30 19.474 -3.216 0.610 1.00 3.24 C ATOM 436 CG LEU A 30 20.762 -3.680 -0.071 1.00 50.44 C ATOM 437 CD1 LEU A 30 21.926 -2.782 0.319 1.00 52.32 C ATOM 438 CD2 LEU A 30 21.061 -5.129 0.284 1.00 45.42 C ATOM 0 H LEU A 30 18.305 -4.746 2.149 1.00 1.11 H new ATOM 0 HA LEU A 30 20.569 -3.198 2.461 1.00 54.32 H new ATOM 0 HB2 LEU A 30 18.685 -3.931 0.376 1.00 3.24 H new ATOM 0 HB3 LEU A 30 19.179 -2.261 0.174 1.00 3.24 H new ATOM 0 HG LEU A 30 20.624 -3.613 -1.150 1.00 50.44 H new ATOM 0 HD11 LEU A 30 22.834 -3.128 -0.175 1.00 52.32 H new ATOM 0 HD12 LEU A 30 21.714 -1.758 0.013 1.00 52.32 H new ATOM 0 HD13 LEU A 30 22.066 -2.816 1.399 1.00 52.32 H new ATOM 0 HD21 LEU A 30 21.981 -5.442 -0.210 1.00 45.42 H new ATOM 0 HD22 LEU A 30 21.178 -5.222 1.364 1.00 45.42 H new ATOM 0 HD23 LEU A 30 20.238 -5.762 -0.047 1.00 45.42 H new ATOM 450 N GLY A 31 20.073 -0.747 2.666 1.00 4.44 N ATOM 451 CA GLY A 31 19.768 0.624 3.034 1.00 31.42 C ATOM 452 C GLY A 31 20.236 1.621 1.994 1.00 41.44 C ATOM 453 O GLY A 31 19.775 2.763 1.964 1.00 33.13 O ATOM 0 H GLY A 31 21.065 -0.945 2.536 1.00 4.44 H new ATOM 0 HA2 GLY A 31 18.692 0.728 3.175 1.00 31.42 H new ATOM 0 HA3 GLY A 31 20.238 0.853 3.990 1.00 31.42 H new ATOM 457 N THR A 32 21.157 1.192 1.136 1.00 3.15 N ATOM 458 CA THR A 32 21.691 2.056 0.091 1.00 14.53 C ATOM 459 C THR A 32 21.172 1.643 -1.281 1.00 42.45 C ATOM 460 O THR A 32 20.825 2.490 -2.104 1.00 73.35 O ATOM 461 CB THR A 32 23.231 2.033 0.074 1.00 33.13 C ATOM 462 OG1 THR A 32 23.741 2.450 1.345 1.00 1.34 O ATOM 463 CG2 THR A 32 23.774 2.941 -1.019 1.00 32.22 C ATOM 0 H THR A 32 21.549 0.250 1.145 1.00 3.15 H new ATOM 0 HA THR A 32 21.354 3.068 0.315 1.00 14.53 H new ATOM 0 HB THR A 32 23.555 1.012 -0.130 1.00 33.13 H new ATOM 0 HG1 THR A 32 24.721 2.431 1.327 1.00 1.34 H new ATOM 0 HG21 THR A 32 24.863 2.908 -1.011 1.00 32.22 H new ATOM 0 HG22 THR A 32 23.408 2.603 -1.988 1.00 32.22 H new ATOM 0 HG23 THR A 32 23.441 3.963 -0.842 1.00 32.22 H new ATOM 471 N ALA A 33 21.122 0.337 -1.522 1.00 4.25 N ATOM 472 CA ALA A 33 20.643 -0.188 -2.794 1.00 44.22 C ATOM 473 C ALA A 33 19.120 -0.158 -2.862 1.00 23.41 C ATOM 474 O ALA A 33 18.539 -0.034 -3.940 1.00 41.31 O ATOM 475 CB ALA A 33 21.156 -1.605 -3.007 1.00 51.50 C ATOM 0 H ALA A 33 21.408 -0.377 -0.852 1.00 4.25 H new ATOM 0 HA ALA A 33 21.028 0.449 -3.590 1.00 44.22 H new ATOM 0 HB1 ALA A 33 20.790 -1.985 -3.961 1.00 51.50 H new ATOM 0 HB2 ALA A 33 22.246 -1.600 -3.012 1.00 51.50 H new ATOM 0 HB3 ALA A 33 20.799 -2.246 -2.201 1.00 51.50 H new ATOM 481 N PHE A 34 18.479 -0.275 -1.704 1.00 12.41 N ATOM 482 CA PHE A 34 17.022 -0.263 -1.632 1.00 64.03 C ATOM 483 C PHE A 34 16.476 1.139 -1.889 1.00 24.51 C ATOM 484 O PHE A 34 15.340 1.302 -2.331 1.00 14.01 O ATOM 485 CB PHE A 34 16.554 -0.762 -0.264 1.00 31.50 C ATOM 486 CG PHE A 34 15.190 -1.391 -0.290 1.00 11.20 C ATOM 487 CD1 PHE A 34 14.902 -2.417 -1.176 1.00 2.14 C ATOM 488 CD2 PHE A 34 14.196 -0.956 0.571 1.00 13.14 C ATOM 489 CE1 PHE A 34 13.648 -2.996 -1.202 1.00 74.11 C ATOM 490 CE2 PHE A 34 12.939 -1.532 0.550 1.00 43.31 C ATOM 491 CZ PHE A 34 12.665 -2.554 -0.337 1.00 44.15 C ATOM 0 H PHE A 34 18.945 -0.379 -0.803 1.00 12.41 H new ATOM 0 HA PHE A 34 16.639 -0.930 -2.405 1.00 64.03 H new ATOM 0 HB2 PHE A 34 17.273 -1.488 0.114 1.00 31.50 H new ATOM 0 HB3 PHE A 34 16.547 0.074 0.436 1.00 31.50 H new ATOM 0 HD1 PHE A 34 15.666 -2.768 -1.854 1.00 2.14 H new ATOM 0 HD2 PHE A 34 14.405 -0.157 1.267 1.00 13.14 H new ATOM 0 HE1 PHE A 34 13.436 -3.794 -1.898 1.00 74.11 H new ATOM 0 HE2 PHE A 34 12.173 -1.183 1.226 1.00 43.31 H new ATOM 0 HZ PHE A 34 11.685 -3.007 -0.355 1.00 44.15 H new ATOM 501 N ALA A 35 17.295 2.147 -1.607 1.00 62.35 N ATOM 502 CA ALA A 35 16.896 3.534 -1.809 1.00 0.13 C ATOM 503 C ALA A 35 17.030 3.937 -3.273 1.00 41.13 C ATOM 504 O ALA A 35 16.416 4.906 -3.719 1.00 72.40 O ATOM 505 CB ALA A 35 17.727 4.455 -0.928 1.00 13.44 C ATOM 0 H ALA A 35 18.239 2.029 -1.238 1.00 62.35 H new ATOM 0 HA ALA A 35 15.847 3.629 -1.528 1.00 0.13 H new ATOM 0 HB1 ALA A 35 17.419 5.488 -1.089 1.00 13.44 H new ATOM 0 HB2 ALA A 35 17.577 4.190 0.119 1.00 13.44 H new ATOM 0 HB3 ALA A 35 18.782 4.347 -1.182 1.00 13.44 H new ATOM 511 N ALA A 36 17.838 3.188 -4.017 1.00 32.13 N ATOM 512 CA ALA A 36 18.051 3.467 -5.431 1.00 62.34 C ATOM 513 C ALA A 36 16.919 2.897 -6.280 1.00 4.20 C ATOM 514 O ALA A 36 16.749 3.277 -7.439 1.00 34.02 O ATOM 515 CB ALA A 36 19.389 2.902 -5.885 1.00 22.33 C ATOM 0 H ALA A 36 18.356 2.383 -3.663 1.00 32.13 H new ATOM 0 HA ALA A 36 18.061 4.549 -5.565 1.00 62.34 H new ATOM 0 HB1 ALA A 36 19.535 3.118 -6.943 1.00 22.33 H new ATOM 0 HB2 ALA A 36 20.192 3.360 -5.307 1.00 22.33 H new ATOM 0 HB3 ALA A 36 19.400 1.823 -5.730 1.00 22.33 H new ATOM 521 N ILE A 37 16.150 1.985 -5.696 1.00 61.43 N ATOM 522 CA ILE A 37 15.035 1.364 -6.400 1.00 34.44 C ATOM 523 C ILE A 37 13.700 1.918 -5.912 1.00 43.13 C ATOM 524 O ILE A 37 12.700 1.880 -6.630 1.00 61.22 O ATOM 525 CB ILE A 37 15.038 -0.166 -6.221 1.00 60.11 C ATOM 526 CG1 ILE A 37 15.121 -0.528 -4.737 1.00 12.03 C ATOM 527 CG2 ILE A 37 16.196 -0.786 -6.988 1.00 61.34 C ATOM 528 CD1 ILE A 37 14.608 -1.916 -4.424 1.00 22.32 C ATOM 0 H ILE A 37 16.278 1.660 -4.738 1.00 61.43 H new ATOM 0 HA ILE A 37 15.159 1.599 -7.457 1.00 34.44 H new ATOM 0 HB ILE A 37 14.106 -0.566 -6.621 1.00 60.11 H new ATOM 0 HG12 ILE A 37 16.158 -0.450 -4.410 1.00 12.03 H new ATOM 0 HG13 ILE A 37 14.550 0.200 -4.161 1.00 12.03 H new ATOM 0 HG21 ILE A 37 16.185 -1.867 -6.852 1.00 61.34 H new ATOM 0 HG22 ILE A 37 16.097 -0.553 -8.048 1.00 61.34 H new ATOM 0 HG23 ILE A 37 17.137 -0.383 -6.614 1.00 61.34 H new ATOM 0 HD11 ILE A 37 14.697 -2.104 -3.354 1.00 22.32 H new ATOM 0 HD12 ILE A 37 13.562 -1.992 -4.720 1.00 22.32 H new ATOM 0 HD13 ILE A 37 15.195 -2.653 -4.972 1.00 22.32 H new ATOM 540 N LEU A 38 13.692 2.435 -4.689 1.00 23.04 N ATOM 541 CA LEU A 38 12.481 3.000 -4.105 1.00 12.24 C ATOM 542 C LEU A 38 12.510 4.524 -4.159 1.00 2.35 C ATOM 543 O LEU A 38 11.476 5.180 -4.040 1.00 70.12 O ATOM 544 CB LEU A 38 12.323 2.533 -2.657 1.00 31.32 C ATOM 545 CG LEU A 38 11.527 1.244 -2.451 1.00 33.42 C ATOM 546 CD1 LEU A 38 12.407 0.028 -2.693 1.00 64.32 C ATOM 547 CD2 LEU A 38 10.931 1.202 -1.051 1.00 41.41 C ATOM 0 H LEU A 38 14.511 2.475 -4.082 1.00 23.04 H new ATOM 0 HA LEU A 38 11.629 2.650 -4.688 1.00 12.24 H new ATOM 0 HB2 LEU A 38 13.316 2.395 -2.230 1.00 31.32 H new ATOM 0 HB3 LEU A 38 11.840 3.329 -2.090 1.00 31.32 H new ATOM 0 HG LEU A 38 10.710 1.226 -3.173 1.00 33.42 H new ATOM 0 HD11 LEU A 38 11.823 -0.880 -2.542 1.00 64.32 H new ATOM 0 HD12 LEU A 38 12.785 0.050 -3.715 1.00 64.32 H new ATOM 0 HD13 LEU A 38 13.245 0.041 -1.996 1.00 64.32 H new ATOM 0 HD21 LEU A 38 10.368 0.277 -0.923 1.00 41.41 H new ATOM 0 HD22 LEU A 38 11.732 1.244 -0.313 1.00 41.41 H new ATOM 0 HD23 LEU A 38 10.265 2.054 -0.913 1.00 41.41 H new ATOM 559 N GLY A 39 13.703 5.082 -4.340 1.00 44.23 N ATOM 560 CA GLY A 39 13.845 6.525 -4.409 1.00 61.10 C ATOM 561 C GLY A 39 13.634 7.062 -5.811 1.00 25.02 C ATOM 562 O GLY A 39 13.781 8.260 -6.053 1.00 13.11 O ATOM 0 H GLY A 39 14.574 4.561 -4.440 1.00 44.23 H new ATOM 0 HA2 GLY A 39 13.127 6.990 -3.733 1.00 61.10 H new ATOM 0 HA3 GLY A 39 14.839 6.806 -4.061 1.00 61.10 H new ATOM 566 N VAL A 40 13.291 6.173 -6.738 1.00 45.40 N ATOM 567 CA VAL A 40 13.061 6.565 -8.124 1.00 21.54 C ATOM 568 C VAL A 40 11.573 6.734 -8.407 1.00 34.05 C ATOM 569 O VAL A 40 11.170 7.609 -9.175 1.00 23.44 O ATOM 570 CB VAL A 40 13.644 5.529 -9.103 1.00 41.05 C ATOM 571 CG1 VAL A 40 13.122 4.137 -8.782 1.00 64.22 C ATOM 572 CG2 VAL A 40 13.317 5.912 -10.539 1.00 62.41 C ATOM 0 H VAL A 40 13.166 5.177 -6.555 1.00 45.40 H new ATOM 0 HA VAL A 40 13.567 7.519 -8.272 1.00 21.54 H new ATOM 0 HB VAL A 40 14.728 5.518 -8.991 1.00 41.05 H new ATOM 0 HG11 VAL A 40 13.545 3.419 -9.484 1.00 64.22 H new ATOM 0 HG12 VAL A 40 13.411 3.865 -7.767 1.00 64.22 H new ATOM 0 HG13 VAL A 40 12.035 4.128 -8.864 1.00 64.22 H new ATOM 0 HG21 VAL A 40 13.736 5.170 -11.218 1.00 62.41 H new ATOM 0 HG22 VAL A 40 12.235 5.952 -10.668 1.00 62.41 H new ATOM 0 HG23 VAL A 40 13.745 6.890 -10.761 1.00 62.41 H new ATOM 582 N THR A 41 10.757 5.891 -7.780 1.00 50.33 N ATOM 583 CA THR A 41 9.312 5.947 -7.965 1.00 24.34 C ATOM 584 C THR A 41 8.586 5.929 -6.625 1.00 31.34 C ATOM 585 O THR A 41 7.616 6.661 -6.422 1.00 44.14 O ATOM 586 CB THR A 41 8.810 4.771 -8.824 1.00 2.02 C ATOM 587 OG1 THR A 41 7.380 4.795 -8.900 1.00 4.51 O ATOM 588 CG2 THR A 41 9.270 3.442 -8.244 1.00 35.14 C ATOM 0 H THR A 41 11.073 5.162 -7.140 1.00 50.33 H new ATOM 0 HA THR A 41 9.095 6.882 -8.481 1.00 24.34 H new ATOM 0 HB THR A 41 9.228 4.877 -9.825 1.00 2.02 H new ATOM 0 HG1 THR A 41 7.104 4.883 -9.836 1.00 4.51 H new ATOM 0 HG21 THR A 41 8.903 2.627 -8.867 1.00 35.14 H new ATOM 0 HG22 THR A 41 10.359 3.415 -8.215 1.00 35.14 H new ATOM 0 HG23 THR A 41 8.877 3.331 -7.233 1.00 35.14 H new ATOM 596 N LEU A 42 9.060 5.089 -5.711 1.00 62.33 N ATOM 597 CA LEU A 42 8.456 4.976 -4.388 1.00 73.13 C ATOM 598 C LEU A 42 8.767 6.206 -3.541 1.00 33.50 C ATOM 599 O LEU A 42 9.671 6.985 -3.842 1.00 23.42 O ATOM 600 CB LEU A 42 8.958 3.715 -3.682 1.00 42.42 C ATOM 601 CG LEU A 42 8.088 2.468 -3.836 1.00 70.44 C ATOM 602 CD1 LEU A 42 8.517 1.665 -5.055 1.00 20.24 C ATOM 603 CD2 LEU A 42 8.156 1.611 -2.580 1.00 50.52 C ATOM 0 H LEU A 42 9.861 4.476 -5.862 1.00 62.33 H new ATOM 0 HA LEU A 42 7.375 4.908 -4.513 1.00 73.13 H new ATOM 0 HB2 LEU A 42 9.956 3.486 -4.057 1.00 42.42 H new ATOM 0 HB3 LEU A 42 9.059 3.934 -2.619 1.00 42.42 H new ATOM 0 HG LEU A 42 7.055 2.785 -3.980 1.00 70.44 H new ATOM 0 HD11 LEU A 42 7.886 0.781 -5.149 1.00 20.24 H new ATOM 0 HD12 LEU A 42 8.416 2.279 -5.950 1.00 20.24 H new ATOM 0 HD13 LEU A 42 9.557 1.359 -4.941 1.00 20.24 H new ATOM 0 HD21 LEU A 42 7.530 0.728 -2.708 1.00 50.52 H new ATOM 0 HD22 LEU A 42 9.187 1.303 -2.405 1.00 50.52 H new ATOM 0 HD23 LEU A 42 7.799 2.188 -1.726 1.00 50.52 H new ATOM 615 N PRO A 43 8.001 6.384 -2.454 1.00 44.40 N ATOM 616 CA PRO A 43 8.178 7.516 -1.539 1.00 21.10 C ATOM 617 C PRO A 43 9.469 7.414 -0.734 1.00 11.13 C ATOM 618 O PRO A 43 10.292 6.530 -0.971 1.00 55.21 O ATOM 619 CB PRO A 43 6.962 7.418 -0.615 1.00 30.35 C ATOM 620 CG PRO A 43 6.575 5.980 -0.650 1.00 34.44 C ATOM 621 CD PRO A 43 6.905 5.495 -2.034 1.00 51.54 C ATOM 0 HA PRO A 43 8.250 8.464 -2.072 1.00 21.10 H new ATOM 0 HB2 PRO A 43 7.208 7.737 0.398 1.00 30.35 H new ATOM 0 HB3 PRO A 43 6.149 8.055 -0.962 1.00 30.35 H new ATOM 0 HG2 PRO A 43 7.120 5.411 0.103 1.00 34.44 H new ATOM 0 HG3 PRO A 43 5.513 5.856 -0.436 1.00 34.44 H new ATOM 0 HD2 PRO A 43 7.214 4.450 -2.031 1.00 51.54 H new ATOM 0 HD3 PRO A 43 6.047 5.571 -2.702 1.00 51.54 H new ATOM 629 N ALA A 44 9.640 8.324 0.220 1.00 54.13 N ATOM 630 CA ALA A 44 10.829 8.335 1.062 1.00 64.44 C ATOM 631 C ALA A 44 10.604 7.535 2.340 1.00 23.41 C ATOM 632 O ALA A 44 11.434 6.709 2.721 1.00 44.21 O ATOM 633 CB ALA A 44 11.228 9.765 1.395 1.00 75.12 C ATOM 0 H ALA A 44 8.969 9.063 0.429 1.00 54.13 H new ATOM 0 HA ALA A 44 11.640 7.864 0.508 1.00 64.44 H new ATOM 0 HB1 ALA A 44 12.118 9.757 2.025 1.00 75.12 H new ATOM 0 HB2 ALA A 44 11.440 10.308 0.474 1.00 75.12 H new ATOM 0 HB3 ALA A 44 10.412 10.256 1.926 1.00 75.12 H new ATOM 639 N TRP A 45 9.478 7.785 2.998 1.00 24.03 N ATOM 640 CA TRP A 45 9.145 7.088 4.235 1.00 22.33 C ATOM 641 C TRP A 45 9.210 5.577 4.043 1.00 65.40 C ATOM 642 O TRP A 45 9.553 4.839 4.966 1.00 24.41 O ATOM 643 CB TRP A 45 7.750 7.494 4.714 1.00 63.41 C ATOM 644 CG TRP A 45 6.664 7.142 3.743 1.00 13.03 C ATOM 645 CD1 TRP A 45 6.166 7.934 2.748 1.00 31.12 C ATOM 646 CD2 TRP A 45 5.940 5.909 3.677 1.00 31.52 C ATOM 647 NE1 TRP A 45 5.176 7.267 2.067 1.00 21.14 N ATOM 648 CE2 TRP A 45 5.019 6.022 2.617 1.00 0.23 C ATOM 649 CE3 TRP A 45 5.981 4.718 4.408 1.00 4.55 C ATOM 650 CZ2 TRP A 45 4.148 4.991 2.274 1.00 5.22 C ATOM 651 CZ3 TRP A 45 5.117 3.696 4.067 1.00 55.31 C ATOM 652 CH2 TRP A 45 4.211 3.837 3.007 1.00 13.32 C ATOM 0 H TRP A 45 8.780 8.465 2.696 1.00 24.03 H new ATOM 0 HA TRP A 45 9.878 7.371 4.991 1.00 22.33 H new ATOM 0 HB2 TRP A 45 7.546 7.009 5.668 1.00 63.41 H new ATOM 0 HB3 TRP A 45 7.733 8.569 4.893 1.00 63.41 H new ATOM 0 HD1 TRP A 45 6.501 8.937 2.529 1.00 31.12 H new ATOM 0 HE1 TRP A 45 4.644 7.639 1.280 1.00 21.14 H new ATOM 0 HE3 TRP A 45 6.677 4.599 5.226 1.00 4.55 H new ATOM 0 HZ2 TRP A 45 3.448 5.098 1.459 1.00 5.22 H new ATOM 0 HZ3 TRP A 45 5.140 2.773 4.627 1.00 55.31 H new ATOM 0 HH2 TRP A 45 3.549 3.019 2.764 1.00 13.32 H new ATOM 663 N ALA A 46 8.880 5.123 2.838 1.00 34.15 N ATOM 664 CA ALA A 46 8.903 3.699 2.525 1.00 2.54 C ATOM 665 C ALA A 46 10.245 3.078 2.898 1.00 33.51 C ATOM 666 O ALA A 46 10.301 1.962 3.416 1.00 33.44 O ATOM 667 CB ALA A 46 8.609 3.479 1.049 1.00 70.11 C ATOM 0 H ALA A 46 8.594 5.721 2.063 1.00 34.15 H new ATOM 0 HA ALA A 46 8.129 3.209 3.115 1.00 2.54 H new ATOM 0 HB1 ALA A 46 8.629 2.412 0.829 1.00 70.11 H new ATOM 0 HB2 ALA A 46 7.624 3.880 0.811 1.00 70.11 H new ATOM 0 HB3 ALA A 46 9.363 3.988 0.448 1.00 70.11 H new ATOM 673 N LEU A 47 11.323 3.805 2.631 1.00 44.24 N ATOM 674 CA LEU A 47 12.666 3.324 2.938 1.00 41.35 C ATOM 675 C LEU A 47 12.765 2.877 4.393 1.00 40.45 C ATOM 676 O LEU A 47 13.362 1.845 4.696 1.00 44.12 O ATOM 677 CB LEU A 47 13.698 4.419 2.657 1.00 75.51 C ATOM 678 CG LEU A 47 13.677 5.015 1.249 1.00 1.01 C ATOM 679 CD1 LEU A 47 14.823 5.998 1.069 1.00 4.23 C ATOM 680 CD2 LEU A 47 13.748 3.913 0.202 1.00 51.21 C ATOM 0 H LEU A 47 11.294 4.730 2.202 1.00 44.24 H new ATOM 0 HA LEU A 47 12.873 2.466 2.299 1.00 41.35 H new ATOM 0 HB2 LEU A 47 13.546 5.226 3.374 1.00 75.51 H new ATOM 0 HB3 LEU A 47 14.691 4.010 2.842 1.00 75.51 H new ATOM 0 HG LEU A 47 12.739 5.554 1.117 1.00 1.01 H new ATOM 0 HD11 LEU A 47 14.792 6.412 0.061 1.00 4.23 H new ATOM 0 HD12 LEU A 47 14.728 6.805 1.796 1.00 4.23 H new ATOM 0 HD13 LEU A 47 15.772 5.483 1.221 1.00 4.23 H new ATOM 0 HD21 LEU A 47 13.732 4.356 -0.794 1.00 51.21 H new ATOM 0 HD22 LEU A 47 14.670 3.346 0.332 1.00 51.21 H new ATOM 0 HD23 LEU A 47 12.893 3.247 0.317 1.00 51.21 H new ATOM 692 N ALA A 48 12.173 3.661 5.288 1.00 24.23 N ATOM 693 CA ALA A 48 12.191 3.343 6.711 1.00 42.51 C ATOM 694 C ALA A 48 11.278 2.162 7.021 1.00 3.24 C ATOM 695 O ALA A 48 11.477 1.455 8.009 1.00 54.21 O ATOM 696 CB ALA A 48 11.780 4.559 7.528 1.00 5.50 C ATOM 0 H ALA A 48 11.675 4.520 5.053 1.00 24.23 H new ATOM 0 HA ALA A 48 13.209 3.063 6.983 1.00 42.51 H new ATOM 0 HB1 ALA A 48 11.798 4.308 8.588 1.00 5.50 H new ATOM 0 HB2 ALA A 48 12.475 5.377 7.337 1.00 5.50 H new ATOM 0 HB3 ALA A 48 10.773 4.864 7.244 1.00 5.50 H new ATOM 702 N ALA A 49 10.277 1.955 6.172 1.00 23.31 N ATOM 703 CA ALA A 49 9.335 0.858 6.356 1.00 53.14 C ATOM 704 C ALA A 49 10.023 -0.492 6.183 1.00 54.24 C ATOM 705 O ALA A 49 9.564 -1.505 6.709 1.00 12.14 O ATOM 706 CB ALA A 49 8.175 0.990 5.380 1.00 13.40 C ATOM 0 H ALA A 49 10.098 2.532 5.350 1.00 23.31 H new ATOM 0 HA ALA A 49 8.948 0.911 7.374 1.00 53.14 H new ATOM 0 HB1 ALA A 49 7.479 0.164 5.528 1.00 13.40 H new ATOM 0 HB2 ALA A 49 7.659 1.935 5.553 1.00 13.40 H new ATOM 0 HB3 ALA A 49 8.554 0.966 4.358 1.00 13.40 H new ATOM 712 N ALA A 50 11.125 -0.498 5.440 1.00 20.14 N ATOM 713 CA ALA A 50 11.877 -1.724 5.199 1.00 15.42 C ATOM 714 C ALA A 50 12.196 -2.438 6.508 1.00 73.42 C ATOM 715 O ALA A 50 12.086 -3.660 6.602 1.00 64.23 O ATOM 716 CB ALA A 50 13.157 -1.416 4.438 1.00 63.04 C ATOM 0 H ALA A 50 11.517 0.332 4.995 1.00 20.14 H new ATOM 0 HA ALA A 50 11.259 -2.388 4.595 1.00 15.42 H new ATOM 0 HB1 ALA A 50 13.709 -2.340 4.265 1.00 63.04 H new ATOM 0 HB2 ALA A 50 12.910 -0.956 3.481 1.00 63.04 H new ATOM 0 HB3 ALA A 50 13.771 -0.731 5.022 1.00 63.04 H new ATOM 722 N GLY A 51 12.592 -1.668 7.517 1.00 54.04 N ATOM 723 CA GLY A 51 12.921 -2.246 8.806 1.00 4.13 C ATOM 724 C GLY A 51 11.695 -2.722 9.559 1.00 11.10 C ATOM 725 O GLY A 51 11.396 -3.915 9.580 1.00 75.43 O ATOM 0 H GLY A 51 12.691 -0.654 7.464 1.00 54.04 H new ATOM 0 HA2 GLY A 51 13.603 -3.084 8.661 1.00 4.13 H new ATOM 0 HA3 GLY A 51 13.449 -1.506 9.408 1.00 4.13 H new ATOM 729 N ALA A 52 10.984 -1.787 10.181 1.00 40.34 N ATOM 730 CA ALA A 52 9.783 -2.117 10.938 1.00 63.21 C ATOM 731 C ALA A 52 8.537 -2.004 10.067 1.00 15.42 C ATOM 732 O ALA A 52 8.522 -1.268 9.079 1.00 34.31 O ATOM 733 CB ALA A 52 9.663 -1.214 12.156 1.00 35.14 C ATOM 0 H ALA A 52 11.219 -0.795 10.175 1.00 40.34 H new ATOM 0 HA ALA A 52 9.867 -3.151 11.273 1.00 63.21 H new ATOM 0 HB1 ALA A 52 8.762 -1.471 12.712 1.00 35.14 H new ATOM 0 HB2 ALA A 52 10.535 -1.348 12.796 1.00 35.14 H new ATOM 0 HB3 ALA A 52 9.606 -0.174 11.834 1.00 35.14 H new ATOM 739 N LEU A 53 7.492 -2.736 10.439 1.00 4.11 N ATOM 740 CA LEU A 53 6.240 -2.718 9.691 1.00 10.22 C ATOM 741 C LEU A 53 5.752 -1.288 9.481 1.00 70.03 C ATOM 742 O LEU A 53 5.895 -0.437 10.357 1.00 2.04 O ATOM 743 CB LEU A 53 5.172 -3.530 10.426 1.00 24.22 C ATOM 744 CG LEU A 53 4.673 -2.943 11.746 1.00 14.35 C ATOM 745 CD1 LEU A 53 3.263 -3.427 12.047 1.00 73.34 C ATOM 746 CD2 LEU A 53 5.617 -3.306 12.883 1.00 32.12 C ATOM 0 H LEU A 53 7.487 -3.349 11.254 1.00 4.11 H new ATOM 0 HA LEU A 53 6.422 -3.168 8.715 1.00 10.22 H new ATOM 0 HB2 LEU A 53 4.317 -3.655 9.761 1.00 24.22 H new ATOM 0 HB3 LEU A 53 5.572 -4.525 10.622 1.00 24.22 H new ATOM 0 HG LEU A 53 4.650 -1.857 11.652 1.00 14.35 H new ATOM 0 HD11 LEU A 53 2.925 -2.999 12.991 1.00 73.34 H new ATOM 0 HD12 LEU A 53 2.593 -3.115 11.246 1.00 73.34 H new ATOM 0 HD13 LEU A 53 3.260 -4.515 12.120 1.00 73.34 H new ATOM 0 HD21 LEU A 53 5.245 -2.879 13.815 1.00 32.12 H new ATOM 0 HD22 LEU A 53 5.673 -4.390 12.977 1.00 32.12 H new ATOM 0 HD23 LEU A 53 6.610 -2.908 12.673 1.00 32.12 H new ATOM 758 N GLY A 54 5.172 -1.032 8.312 1.00 45.23 N ATOM 759 CA GLY A 54 4.670 0.295 8.008 1.00 50.41 C ATOM 760 C GLY A 54 3.574 0.275 6.961 1.00 32.32 C ATOM 761 O GLY A 54 2.391 0.364 7.290 1.00 42.45 O ATOM 0 H GLY A 54 5.041 -1.720 7.570 1.00 45.23 H new ATOM 0 HA2 GLY A 54 4.288 0.753 8.920 1.00 50.41 H new ATOM 0 HA3 GLY A 54 5.492 0.919 7.657 1.00 50.41 H new ATOM 765 N ALA A 55 3.967 0.158 5.697 1.00 31.11 N ATOM 766 CA ALA A 55 3.009 0.126 4.599 1.00 31.40 C ATOM 767 C ALA A 55 2.235 -1.188 4.584 1.00 33.14 C ATOM 768 O ALA A 55 2.734 -2.211 4.113 1.00 0.53 O ATOM 769 CB ALA A 55 3.721 0.336 3.271 1.00 61.40 C ATOM 0 H ALA A 55 4.942 0.084 5.408 1.00 31.11 H new ATOM 0 HA ALA A 55 2.295 0.936 4.748 1.00 31.40 H new ATOM 0 HB1 ALA A 55 2.993 0.310 2.460 1.00 61.40 H new ATOM 0 HB2 ALA A 55 4.223 1.303 3.277 1.00 61.40 H new ATOM 0 HB3 ALA A 55 4.457 -0.454 3.124 1.00 61.40 H new ATOM 775 N THR A 56 1.011 -1.155 5.104 1.00 4.31 N ATOM 776 CA THR A 56 0.169 -2.343 5.153 1.00 51.25 C ATOM 777 C THR A 56 -0.437 -2.643 3.786 1.00 14.05 C ATOM 778 O THR A 56 -1.656 -2.610 3.617 1.00 22.50 O ATOM 779 CB THR A 56 -0.966 -2.185 6.182 1.00 72.12 C ATOM 780 OG1 THR A 56 -1.851 -3.309 6.111 1.00 10.34 O ATOM 781 CG2 THR A 56 -1.746 -0.903 5.935 1.00 52.41 C ATOM 0 H THR A 56 0.582 -0.317 5.497 1.00 4.31 H new ATOM 0 HA THR A 56 0.809 -3.172 5.454 1.00 51.25 H new ATOM 0 HB THR A 56 -0.521 -2.135 7.176 1.00 72.12 H new ATOM 0 HG1 THR A 56 -2.218 -3.379 5.205 1.00 10.34 H new ATOM 0 HG21 THR A 56 -2.542 -0.813 6.674 1.00 52.41 H new ATOM 0 HG22 THR A 56 -1.076 -0.048 6.018 1.00 52.41 H new ATOM 0 HG23 THR A 56 -2.180 -0.928 4.935 1.00 52.41 H new ATOM 789 N ALA A 57 0.421 -2.936 2.815 1.00 53.22 N ATOM 790 CA ALA A 57 -0.031 -3.245 1.464 1.00 52.41 C ATOM 791 C ALA A 57 -0.714 -2.040 0.824 1.00 25.05 C ATOM 792 O ALA A 57 -1.548 -2.189 -0.068 1.00 4.40 O ATOM 793 CB ALA A 57 -0.974 -4.439 1.483 1.00 44.03 C ATOM 0 H ALA A 57 1.433 -2.966 2.938 1.00 53.22 H new ATOM 0 HA ALA A 57 0.844 -3.496 0.864 1.00 52.41 H new ATOM 0 HB1 ALA A 57 -1.304 -4.658 0.467 1.00 44.03 H new ATOM 0 HB2 ALA A 57 -0.455 -5.306 1.891 1.00 44.03 H new ATOM 0 HB3 ALA A 57 -1.840 -4.209 2.104 1.00 44.03 H new ATOM 799 N ALA A 58 -0.354 -0.847 1.287 1.00 21.35 N ATOM 800 CA ALA A 58 -0.931 0.383 0.759 1.00 22.25 C ATOM 801 C ALA A 58 -0.310 0.747 -0.585 1.00 12.31 C ATOM 802 O ALA A 58 -1.017 0.923 -1.578 1.00 41.03 O ATOM 803 CB ALA A 58 -0.748 1.520 1.753 1.00 10.42 C ATOM 0 H ALA A 58 0.334 -0.707 2.026 1.00 21.35 H new ATOM 0 HA ALA A 58 -1.997 0.219 0.604 1.00 22.25 H new ATOM 0 HB1 ALA A 58 -1.183 2.433 1.346 1.00 10.42 H new ATOM 0 HB2 ALA A 58 -1.244 1.268 2.690 1.00 10.42 H new ATOM 0 HB3 ALA A 58 0.315 1.676 1.936 1.00 10.42 H new TER 809 ALA A 58