USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 430 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 Single : A 3 GLN : amide:sc=-0.00998 K(o=-0.01,f=-4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -148:sc= 2.07 (180deg=1.38) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= -0.0237 (180deg=-0.372) USER MOD Single : A 22 ASN : amide:sc= -0.318 K(o=-0.32,f=-4.3!) USER MOD Single : A 29 HIS : no HD1:sc= -0.215 K(o=-0.21,f=-0.84) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.21 F(o=-2.2!,f=-1.2) USER MOD Single : A 40 SER OG : rot 25:sc= 0.0796 USER MOD Single : A 45 GLN : amide:sc= 0.346 K(o=0.35,f=-0.49) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.503 K(o=-0.5,f=-1) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0165 F(o=-0.84,f=-0.016) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -0.253 -1.804 -3.614 1.00 64.51 N ATOM 21 CA GLU A 2 0.983 -1.521 -4.314 1.00 64.32 C ATOM 22 C GLU A 2 0.696 -1.151 -5.763 1.00 10.42 C ATOM 23 O GLU A 2 -0.455 -1.198 -6.208 1.00 53.03 O ATOM 24 CB GLU A 2 1.932 -2.730 -4.252 1.00 52.44 C ATOM 25 CG GLU A 2 1.287 -4.058 -4.641 1.00 70.44 C ATOM 26 CD GLU A 2 0.736 -4.830 -3.450 1.00 32.24 C ATOM 27 OE1 GLU A 2 -0.391 -4.531 -2.998 1.00 24.12 O ATOM 28 OE2 GLU A 2 1.429 -5.747 -2.963 1.00 2.13 O ATOM 0 HA GLU A 2 1.469 -0.677 -3.825 1.00 64.32 H new ATOM 0 HB2 GLU A 2 2.780 -2.545 -4.911 1.00 52.44 H new ATOM 0 HB3 GLU A 2 2.327 -2.815 -3.240 1.00 52.44 H new ATOM 0 HG2 GLU A 2 0.479 -3.869 -5.348 1.00 70.44 H new ATOM 0 HG3 GLU A 2 2.023 -4.675 -5.156 1.00 70.44 H new ATOM 35 N GLN A 3 1.737 -0.776 -6.487 1.00 52.21 N ATOM 36 CA GLN A 3 1.604 -0.411 -7.887 1.00 45.40 C ATOM 37 C GLN A 3 2.028 -1.566 -8.785 1.00 61.33 C ATOM 38 O GLN A 3 3.106 -2.140 -8.621 1.00 10.03 O ATOM 39 CB GLN A 3 2.413 0.857 -8.218 1.00 74.42 C ATOM 40 CG GLN A 3 3.896 0.797 -7.859 1.00 64.51 C ATOM 41 CD GLN A 3 4.161 0.949 -6.370 1.00 10.21 C ATOM 42 OE1 GLN A 3 4.236 -0.036 -5.633 1.00 34.12 O ATOM 43 NE2 GLN A 3 4.274 2.185 -5.910 1.00 1.41 N ATOM 0 H GLN A 3 2.689 -0.716 -6.126 1.00 52.21 H new ATOM 0 HA GLN A 3 0.553 -0.192 -8.074 1.00 45.40 H new ATOM 0 HB2 GLN A 3 2.322 1.058 -9.286 1.00 74.42 H new ATOM 0 HB3 GLN A 3 1.963 1.702 -7.696 1.00 74.42 H new ATOM 0 HG2 GLN A 3 4.307 -0.154 -8.199 1.00 64.51 H new ATOM 0 HG3 GLN A 3 4.425 1.583 -8.397 1.00 64.51 H new ATOM 0 HE21 GLN A 3 4.206 2.976 -6.551 1.00 1.41 H new ATOM 0 HE22 GLN A 3 4.429 2.347 -4.915 1.00 1.41 H new ATOM 52 N GLY A 4 1.167 -1.909 -9.725 1.00 23.21 N ATOM 53 CA GLY A 4 1.447 -3.001 -10.628 1.00 54.25 C ATOM 54 C GLY A 4 1.209 -2.612 -12.067 1.00 63.31 C ATOM 55 O GLY A 4 0.562 -1.599 -12.342 1.00 30.34 O ATOM 0 H GLY A 4 0.271 -1.446 -9.880 1.00 23.21 H new ATOM 0 HA2 GLY A 4 2.482 -3.319 -10.504 1.00 54.25 H new ATOM 0 HA3 GLY A 4 0.818 -3.854 -10.373 1.00 54.25 H new ATOM 59 N THR A 5 1.721 -3.409 -12.985 1.00 34.14 N ATOM 60 CA THR A 5 1.579 -3.122 -14.400 1.00 12.11 C ATOM 61 C THR A 5 0.547 -4.051 -15.039 1.00 61.25 C ATOM 62 O THR A 5 0.669 -5.276 -14.955 1.00 72.41 O ATOM 63 CB THR A 5 2.933 -3.267 -15.119 1.00 23.34 C ATOM 64 OG1 THR A 5 3.936 -2.527 -14.405 1.00 33.23 O ATOM 65 CG2 THR A 5 2.850 -2.763 -16.554 1.00 1.35 C ATOM 0 H THR A 5 2.240 -4.262 -12.776 1.00 34.14 H new ATOM 0 HA THR A 5 1.234 -2.093 -14.503 1.00 12.11 H new ATOM 0 HB THR A 5 3.198 -4.324 -15.144 1.00 23.34 H new ATOM 0 HG1 THR A 5 4.798 -2.620 -14.861 1.00 33.23 H new ATOM 0 HG21 THR A 5 3.821 -2.878 -17.037 1.00 1.35 H new ATOM 0 HG22 THR A 5 2.103 -3.340 -17.099 1.00 1.35 H new ATOM 0 HG23 THR A 5 2.567 -1.710 -16.554 1.00 1.35 H new ATOM 73 N VAL A 6 -0.478 -3.464 -15.652 1.00 13.52 N ATOM 74 CA VAL A 6 -1.540 -4.234 -16.290 1.00 34.14 C ATOM 75 C VAL A 6 -0.989 -5.037 -17.459 1.00 44.34 C ATOM 76 O VAL A 6 -0.539 -4.472 -18.453 1.00 43.03 O ATOM 77 CB VAL A 6 -2.682 -3.327 -16.799 1.00 31.30 C ATOM 78 CG1 VAL A 6 -3.787 -4.154 -17.443 1.00 72.50 C ATOM 79 CG2 VAL A 6 -3.244 -2.480 -15.669 1.00 24.20 C ATOM 0 H VAL A 6 -0.595 -2.453 -15.720 1.00 13.52 H new ATOM 0 HA VAL A 6 -1.942 -4.907 -15.533 1.00 34.14 H new ATOM 0 HB VAL A 6 -2.268 -2.660 -17.555 1.00 31.30 H new ATOM 0 HG11 VAL A 6 -4.579 -3.493 -17.793 1.00 72.50 H new ATOM 0 HG12 VAL A 6 -3.380 -4.711 -18.287 1.00 72.50 H new ATOM 0 HG13 VAL A 6 -4.194 -4.851 -16.710 1.00 72.50 H new ATOM 0 HG21 VAL A 6 -4.047 -1.850 -16.051 1.00 24.20 H new ATOM 0 HG22 VAL A 6 -3.635 -3.130 -14.886 1.00 24.20 H new ATOM 0 HG23 VAL A 6 -2.454 -1.852 -15.258 1.00 24.20 H new ATOM 89 N LYS A 7 -1.026 -6.351 -17.324 1.00 3.32 N ATOM 90 CA LYS A 7 -0.513 -7.248 -18.346 1.00 13.15 C ATOM 91 C LYS A 7 -1.638 -7.703 -19.259 1.00 42.12 C ATOM 92 O LYS A 7 -1.553 -7.573 -20.478 1.00 75.20 O ATOM 93 CB LYS A 7 0.144 -8.458 -17.687 1.00 43.24 C ATOM 94 CG LYS A 7 1.366 -8.098 -16.868 1.00 32.00 C ATOM 95 CD LYS A 7 2.637 -8.166 -17.697 1.00 22.32 C ATOM 96 CE LYS A 7 3.058 -9.607 -17.939 1.00 74.45 C ATOM 97 NZ LYS A 7 3.258 -10.334 -16.658 1.00 22.41 N ATOM 0 H LYS A 7 -1.411 -6.825 -16.507 1.00 3.32 H new ATOM 0 HA LYS A 7 0.229 -6.717 -18.943 1.00 13.15 H new ATOM 0 HB2 LYS A 7 -0.584 -8.954 -17.044 1.00 43.24 H new ATOM 0 HB3 LYS A 7 0.429 -9.174 -18.458 1.00 43.24 H new ATOM 0 HG2 LYS A 7 1.249 -7.093 -16.462 1.00 32.00 H new ATOM 0 HG3 LYS A 7 1.448 -8.777 -16.019 1.00 32.00 H new ATOM 0 HD2 LYS A 7 2.479 -7.665 -18.652 1.00 22.32 H new ATOM 0 HD3 LYS A 7 3.437 -7.631 -17.185 1.00 22.32 H new ATOM 0 HE2 LYS A 7 2.298 -10.115 -18.533 1.00 74.45 H new ATOM 0 HE3 LYS A 7 3.981 -9.626 -18.518 1.00 74.45 H new ATOM 0 HZ1 LYS A 7 4.007 -11.046 -16.776 1.00 22.41 H new ATOM 0 HZ2 LYS A 7 3.535 -9.660 -15.916 1.00 22.41 H new ATOM 0 HZ3 LYS A 7 2.372 -10.806 -16.385 1.00 22.41 H new ATOM 111 N TRP A 8 -2.692 -8.230 -18.653 1.00 74.32 N ATOM 112 CA TRP A 8 -3.846 -8.705 -19.398 1.00 32.42 C ATOM 113 C TRP A 8 -5.082 -7.912 -19.007 1.00 62.31 C ATOM 114 O TRP A 8 -5.376 -7.746 -17.822 1.00 4.32 O ATOM 115 CB TRP A 8 -4.085 -10.198 -19.139 1.00 42.33 C ATOM 116 CG TRP A 8 -2.924 -11.071 -19.515 1.00 63.22 C ATOM 117 CD1 TRP A 8 -1.833 -11.363 -18.748 1.00 31.12 C ATOM 118 CD2 TRP A 8 -2.745 -11.774 -20.749 1.00 72.52 C ATOM 119 NE1 TRP A 8 -0.983 -12.194 -19.434 1.00 40.14 N ATOM 120 CE2 TRP A 8 -1.521 -12.463 -20.663 1.00 71.01 C ATOM 121 CE3 TRP A 8 -3.503 -11.887 -21.920 1.00 52.53 C ATOM 122 CZ2 TRP A 8 -1.040 -13.256 -21.701 1.00 3.24 C ATOM 123 CZ3 TRP A 8 -3.022 -12.671 -22.950 1.00 4.31 C ATOM 124 CH2 TRP A 8 -1.801 -13.346 -22.835 1.00 61.14 C ATOM 0 H TRP A 8 -2.771 -8.339 -17.642 1.00 74.32 H new ATOM 0 HA TRP A 8 -3.648 -8.564 -20.461 1.00 32.42 H new ATOM 0 HB2 TRP A 8 -4.309 -10.343 -18.082 1.00 42.33 H new ATOM 0 HB3 TRP A 8 -4.964 -10.518 -19.698 1.00 42.33 H new ATOM 0 HD1 TRP A 8 -1.664 -10.994 -17.747 1.00 31.12 H new ATOM 0 HE1 TRP A 8 -0.094 -12.553 -19.084 1.00 40.14 H new ATOM 0 HE3 TRP A 8 -4.447 -11.371 -22.016 1.00 52.53 H new ATOM 0 HZ2 TRP A 8 -0.100 -13.781 -21.615 1.00 3.24 H new ATOM 0 HZ3 TRP A 8 -3.597 -12.765 -23.859 1.00 4.31 H new ATOM 0 HH2 TRP A 8 -1.452 -13.951 -23.659 1.00 61.14 H new ATOM 135 N PHE A 9 -5.803 -7.429 -19.999 1.00 32.01 N ATOM 136 CA PHE A 9 -7.017 -6.677 -19.755 1.00 74.31 C ATOM 137 C PHE A 9 -8.154 -7.258 -20.580 1.00 33.43 C ATOM 138 O PHE A 9 -8.437 -6.803 -21.688 1.00 73.50 O ATOM 139 CB PHE A 9 -6.816 -5.191 -20.077 1.00 23.13 C ATOM 140 CG PHE A 9 -7.987 -4.326 -19.698 1.00 34.44 C ATOM 141 CD1 PHE A 9 -8.303 -4.111 -18.365 1.00 20.41 C ATOM 142 CD2 PHE A 9 -8.773 -3.730 -20.673 1.00 34.22 C ATOM 143 CE1 PHE A 9 -9.378 -3.318 -18.013 1.00 64.24 C ATOM 144 CE2 PHE A 9 -9.849 -2.935 -20.325 1.00 3.03 C ATOM 145 CZ PHE A 9 -10.152 -2.730 -18.994 1.00 73.14 C ATOM 0 H PHE A 9 -5.568 -7.545 -20.985 1.00 32.01 H new ATOM 0 HA PHE A 9 -7.271 -6.755 -18.698 1.00 74.31 H new ATOM 0 HB2 PHE A 9 -5.928 -4.833 -19.557 1.00 23.13 H new ATOM 0 HB3 PHE A 9 -6.626 -5.082 -21.145 1.00 23.13 H new ATOM 0 HD1 PHE A 9 -7.702 -4.569 -17.593 1.00 20.41 H new ATOM 0 HD2 PHE A 9 -8.542 -3.889 -21.716 1.00 34.22 H new ATOM 0 HE1 PHE A 9 -9.613 -3.158 -16.971 1.00 64.24 H new ATOM 0 HE2 PHE A 9 -10.452 -2.475 -21.094 1.00 3.03 H new ATOM 0 HZ PHE A 9 -10.993 -2.111 -18.720 1.00 73.14 H new ATOM 155 N ASN A 10 -8.786 -8.288 -20.047 1.00 23.53 N ATOM 156 CA ASN A 10 -9.856 -8.965 -20.757 1.00 55.32 C ATOM 157 C ASN A 10 -11.183 -8.282 -20.472 1.00 73.35 C ATOM 158 O ASN A 10 -12.013 -8.795 -19.713 1.00 2.11 O ATOM 159 CB ASN A 10 -9.930 -10.439 -20.360 1.00 50.33 C ATOM 160 CG ASN A 10 -8.686 -11.226 -20.732 1.00 15.14 C ATOM 161 OD1 ASN A 10 -8.582 -11.764 -21.836 1.00 52.43 O ATOM 162 ND2 ASN A 10 -7.744 -11.317 -19.807 1.00 21.23 N ATOM 0 H ASN A 10 -8.577 -8.674 -19.126 1.00 23.53 H new ATOM 0 HA ASN A 10 -9.645 -8.910 -21.825 1.00 55.32 H new ATOM 0 HB2 ASN A 10 -10.088 -10.510 -19.284 1.00 50.33 H new ATOM 0 HB3 ASN A 10 -10.796 -10.894 -20.840 1.00 50.33 H new ATOM 0 HD21 ASN A 10 -6.893 -11.847 -19.996 1.00 21.23 H new ATOM 0 HD22 ASN A 10 -7.869 -10.857 -18.905 1.00 21.23 H new ATOM 169 N ALA A 11 -11.364 -7.119 -21.083 1.00 62.43 N ATOM 170 CA ALA A 11 -12.554 -6.304 -20.876 1.00 4.12 C ATOM 171 C ALA A 11 -13.814 -7.043 -21.301 1.00 10.32 C ATOM 172 O ALA A 11 -14.841 -6.974 -20.629 1.00 1.11 O ATOM 173 CB ALA A 11 -12.431 -4.995 -21.639 1.00 74.15 C ATOM 0 H ALA A 11 -10.692 -6.714 -21.735 1.00 62.43 H new ATOM 0 HA ALA A 11 -12.634 -6.092 -19.810 1.00 4.12 H new ATOM 0 HB1 ALA A 11 -13.326 -4.394 -21.477 1.00 74.15 H new ATOM 0 HB2 ALA A 11 -11.557 -4.448 -21.285 1.00 74.15 H new ATOM 0 HB3 ALA A 11 -12.321 -5.203 -22.703 1.00 74.15 H new ATOM 179 N GLU A 12 -13.719 -7.769 -22.404 1.00 31.35 N ATOM 180 CA GLU A 12 -14.862 -8.491 -22.946 1.00 1.12 C ATOM 181 C GLU A 12 -15.028 -9.845 -22.270 1.00 64.02 C ATOM 182 O GLU A 12 -16.051 -10.511 -22.431 1.00 40.31 O ATOM 183 CB GLU A 12 -14.701 -8.680 -24.455 1.00 11.10 C ATOM 184 CG GLU A 12 -14.728 -7.380 -25.239 1.00 25.40 C ATOM 185 CD GLU A 12 -14.543 -7.603 -26.723 1.00 62.01 C ATOM 186 OE1 GLU A 12 -15.472 -8.139 -27.369 1.00 32.51 O ATOM 187 OE2 GLU A 12 -13.470 -7.246 -27.252 1.00 31.34 O ATOM 0 H GLU A 12 -12.860 -7.875 -22.944 1.00 31.35 H new ATOM 0 HA GLU A 12 -15.756 -7.899 -22.751 1.00 1.12 H new ATOM 0 HB2 GLU A 12 -13.759 -9.192 -24.650 1.00 11.10 H new ATOM 0 HB3 GLU A 12 -15.497 -9.330 -24.818 1.00 11.10 H new ATOM 0 HG2 GLU A 12 -15.677 -6.873 -25.065 1.00 25.40 H new ATOM 0 HG3 GLU A 12 -13.942 -6.720 -24.872 1.00 25.40 H new ATOM 194 N LYS A 13 -14.024 -10.246 -21.508 1.00 5.30 N ATOM 195 CA LYS A 13 -14.047 -11.552 -20.865 1.00 33.01 C ATOM 196 C LYS A 13 -14.494 -11.427 -19.415 1.00 43.01 C ATOM 197 O LYS A 13 -15.061 -12.360 -18.849 1.00 14.13 O ATOM 198 CB LYS A 13 -12.672 -12.213 -20.941 1.00 61.12 C ATOM 199 CG LYS A 13 -12.082 -12.269 -22.346 1.00 74.43 C ATOM 200 CD LYS A 13 -13.009 -12.962 -23.332 1.00 52.44 C ATOM 201 CE LYS A 13 -12.281 -14.036 -24.126 1.00 72.11 C ATOM 202 NZ LYS A 13 -11.767 -15.122 -23.249 1.00 62.42 N ATOM 0 H LYS A 13 -13.188 -9.692 -21.320 1.00 5.30 H new ATOM 0 HA LYS A 13 -14.763 -12.180 -21.395 1.00 33.01 H new ATOM 0 HB2 LYS A 13 -11.984 -11.671 -20.292 1.00 61.12 H new ATOM 0 HB3 LYS A 13 -12.747 -13.228 -20.550 1.00 61.12 H new ATOM 0 HG2 LYS A 13 -11.878 -11.256 -22.693 1.00 74.43 H new ATOM 0 HG3 LYS A 13 -11.128 -12.795 -22.317 1.00 74.43 H new ATOM 0 HD2 LYS A 13 -13.844 -13.410 -22.794 1.00 52.44 H new ATOM 0 HD3 LYS A 13 -13.430 -12.225 -24.016 1.00 52.44 H new ATOM 0 HE2 LYS A 13 -12.957 -14.459 -24.869 1.00 72.11 H new ATOM 0 HE3 LYS A 13 -11.451 -13.585 -24.670 1.00 72.11 H new ATOM 0 HZ1 LYS A 13 -11.684 -16.002 -23.798 1.00 62.42 H new ATOM 0 HZ2 LYS A 13 -10.832 -14.856 -22.878 1.00 62.42 H new ATOM 0 HZ3 LYS A 13 -12.424 -15.269 -22.457 1.00 62.42 H new ATOM 216 N GLY A 14 -14.224 -10.273 -18.818 1.00 13.52 N ATOM 217 CA GLY A 14 -14.712 -10.001 -17.482 1.00 64.30 C ATOM 218 C GLY A 14 -13.651 -10.160 -16.409 1.00 45.02 C ATOM 219 O GLY A 14 -13.981 -10.361 -15.238 1.00 63.24 O ATOM 0 H GLY A 14 -13.676 -9.521 -19.236 1.00 13.52 H new ATOM 0 HA2 GLY A 14 -15.105 -8.985 -17.446 1.00 64.30 H new ATOM 0 HA3 GLY A 14 -15.543 -10.672 -17.263 1.00 64.30 H new ATOM 223 N PHE A 15 -12.378 -10.059 -16.785 1.00 52.45 N ATOM 224 CA PHE A 15 -11.293 -10.192 -15.812 1.00 44.22 C ATOM 225 C PHE A 15 -9.985 -9.646 -16.372 1.00 72.33 C ATOM 226 O PHE A 15 -9.896 -9.312 -17.551 1.00 64.11 O ATOM 227 CB PHE A 15 -11.118 -11.657 -15.375 1.00 20.21 C ATOM 228 CG PHE A 15 -10.801 -12.617 -16.492 1.00 62.23 C ATOM 229 CD1 PHE A 15 -9.487 -12.877 -16.850 1.00 62.30 C ATOM 230 CD2 PHE A 15 -11.817 -13.265 -17.177 1.00 14.32 C ATOM 231 CE1 PHE A 15 -9.193 -13.761 -17.869 1.00 55.33 C ATOM 232 CE2 PHE A 15 -11.528 -14.151 -18.196 1.00 64.51 C ATOM 233 CZ PHE A 15 -10.215 -14.398 -18.543 1.00 12.31 C ATOM 0 H PHE A 15 -12.073 -9.888 -17.743 1.00 52.45 H new ATOM 0 HA PHE A 15 -11.563 -9.603 -14.936 1.00 44.22 H new ATOM 0 HB2 PHE A 15 -10.320 -11.707 -14.634 1.00 20.21 H new ATOM 0 HB3 PHE A 15 -12.032 -11.986 -14.881 1.00 20.21 H new ATOM 0 HD1 PHE A 15 -8.683 -12.382 -16.325 1.00 62.30 H new ATOM 0 HD2 PHE A 15 -12.846 -13.075 -16.911 1.00 14.32 H new ATOM 0 HE1 PHE A 15 -8.165 -13.954 -18.138 1.00 55.33 H new ATOM 0 HE2 PHE A 15 -12.329 -14.650 -18.721 1.00 64.51 H new ATOM 0 HZ PHE A 15 -9.988 -15.089 -19.341 1.00 12.31 H new ATOM 243 N GLY A 16 -8.973 -9.552 -15.523 1.00 13.10 N ATOM 244 CA GLY A 16 -7.689 -9.047 -15.954 1.00 33.40 C ATOM 245 C GLY A 16 -6.555 -9.577 -15.106 1.00 13.43 C ATOM 246 O GLY A 16 -6.790 -10.229 -14.087 1.00 61.53 O ATOM 0 H GLY A 16 -9.020 -9.818 -14.539 1.00 13.10 H new ATOM 0 HA2 GLY A 16 -7.522 -9.323 -16.995 1.00 33.40 H new ATOM 0 HA3 GLY A 16 -7.695 -7.958 -15.910 1.00 33.40 H new ATOM 250 N PHE A 17 -5.331 -9.295 -15.529 1.00 10.52 N ATOM 251 CA PHE A 17 -4.138 -9.728 -14.811 1.00 71.44 C ATOM 252 C PHE A 17 -3.141 -8.581 -14.704 1.00 43.42 C ATOM 253 O PHE A 17 -2.722 -8.010 -15.717 1.00 31.53 O ATOM 254 CB PHE A 17 -3.473 -10.920 -15.510 1.00 42.31 C ATOM 255 CG PHE A 17 -4.270 -12.192 -15.453 1.00 51.24 C ATOM 256 CD1 PHE A 17 -4.201 -13.016 -14.342 1.00 44.03 C ATOM 257 CD2 PHE A 17 -5.079 -12.568 -16.512 1.00 70.14 C ATOM 258 CE1 PHE A 17 -4.925 -14.191 -14.288 1.00 42.13 C ATOM 259 CE2 PHE A 17 -5.807 -13.741 -16.463 1.00 53.31 C ATOM 260 CZ PHE A 17 -5.730 -14.554 -15.351 1.00 73.43 C ATOM 0 H PHE A 17 -5.136 -8.762 -16.376 1.00 10.52 H new ATOM 0 HA PHE A 17 -4.445 -10.038 -13.812 1.00 71.44 H new ATOM 0 HB2 PHE A 17 -3.296 -10.662 -16.554 1.00 42.31 H new ATOM 0 HB3 PHE A 17 -2.498 -11.095 -15.056 1.00 42.31 H new ATOM 0 HD1 PHE A 17 -3.574 -12.737 -13.508 1.00 44.03 H new ATOM 0 HD2 PHE A 17 -5.142 -11.937 -17.386 1.00 70.14 H new ATOM 0 HE1 PHE A 17 -4.862 -14.825 -13.416 1.00 42.13 H new ATOM 0 HE2 PHE A 17 -6.436 -14.022 -17.295 1.00 53.31 H new ATOM 0 HZ PHE A 17 -6.298 -15.472 -15.311 1.00 73.43 H new ATOM 270 N ILE A 18 -2.771 -8.244 -13.480 1.00 55.53 N ATOM 271 CA ILE A 18 -1.809 -7.176 -13.229 1.00 72.40 C ATOM 272 C ILE A 18 -0.626 -7.724 -12.435 1.00 53.43 C ATOM 273 O ILE A 18 -0.796 -8.171 -11.306 1.00 65.35 O ATOM 274 CB ILE A 18 -2.454 -6.015 -12.441 1.00 25.13 C ATOM 275 CG1 ILE A 18 -3.779 -5.593 -13.087 1.00 52.01 C ATOM 276 CG2 ILE A 18 -1.500 -4.831 -12.375 1.00 64.12 C ATOM 277 CD1 ILE A 18 -4.560 -4.579 -12.279 1.00 41.33 C ATOM 0 H ILE A 18 -3.124 -8.697 -12.637 1.00 55.53 H new ATOM 0 HA ILE A 18 -1.470 -6.795 -14.192 1.00 72.40 H new ATOM 0 HB ILE A 18 -2.660 -6.359 -11.427 1.00 25.13 H new ATOM 0 HG12 ILE A 18 -3.575 -5.177 -14.074 1.00 52.01 H new ATOM 0 HG13 ILE A 18 -4.397 -6.478 -13.236 1.00 52.01 H new ATOM 0 HG21 ILE A 18 -1.966 -4.019 -11.817 1.00 64.12 H new ATOM 0 HG22 ILE A 18 -0.579 -5.133 -11.876 1.00 64.12 H new ATOM 0 HG23 ILE A 18 -1.270 -4.492 -13.385 1.00 64.12 H new ATOM 0 HD11 ILE A 18 -5.484 -4.331 -12.802 1.00 41.33 H new ATOM 0 HD12 ILE A 18 -4.797 -4.998 -11.301 1.00 41.33 H new ATOM 0 HD13 ILE A 18 -3.962 -3.677 -12.152 1.00 41.33 H new ATOM 289 N GLU A 19 0.566 -7.683 -13.014 1.00 61.23 N ATOM 290 CA GLU A 19 1.717 -8.356 -12.419 1.00 2.04 C ATOM 291 C GLU A 19 2.328 -7.550 -11.276 1.00 31.40 C ATOM 292 O GLU A 19 2.291 -6.317 -11.271 1.00 13.42 O ATOM 293 CB GLU A 19 2.793 -8.629 -13.473 1.00 54.43 C ATOM 294 CG GLU A 19 3.447 -7.372 -14.023 1.00 52.41 C ATOM 295 CD GLU A 19 4.621 -7.676 -14.931 1.00 33.25 C ATOM 296 OE1 GLU A 19 4.898 -8.870 -15.179 1.00 3.33 O ATOM 297 OE2 GLU A 19 5.270 -6.727 -15.409 1.00 50.42 O ATOM 0 H GLU A 19 0.763 -7.196 -13.888 1.00 61.23 H new ATOM 0 HA GLU A 19 1.350 -9.300 -12.015 1.00 2.04 H new ATOM 0 HB2 GLU A 19 3.562 -9.266 -13.037 1.00 54.43 H new ATOM 0 HB3 GLU A 19 2.348 -9.186 -14.297 1.00 54.43 H new ATOM 0 HG2 GLU A 19 2.706 -6.793 -14.574 1.00 52.41 H new ATOM 0 HG3 GLU A 19 3.785 -6.750 -13.194 1.00 52.41 H new ATOM 304 N ARG A 20 2.877 -8.267 -10.303 1.00 30.24 N ATOM 305 CA ARG A 20 3.670 -7.658 -9.250 1.00 64.11 C ATOM 306 C ARG A 20 5.094 -8.212 -9.292 1.00 23.22 C ATOM 307 O ARG A 20 5.285 -9.428 -9.251 1.00 64.55 O ATOM 308 CB ARG A 20 3.060 -7.931 -7.870 1.00 74.41 C ATOM 309 CG ARG A 20 3.741 -7.152 -6.753 1.00 71.15 C ATOM 310 CD ARG A 20 3.833 -7.957 -5.466 1.00 35.10 C ATOM 311 NE ARG A 20 2.529 -8.213 -4.852 1.00 75.14 N ATOM 312 CZ ARG A 20 2.205 -9.374 -4.280 1.00 2.30 C ATOM 313 NH1 ARG A 20 3.043 -10.401 -4.342 1.00 23.12 N ATOM 314 NH2 ARG A 20 1.044 -9.517 -3.657 1.00 70.21 N ATOM 0 H ARG A 20 2.784 -9.280 -10.224 1.00 30.24 H new ATOM 0 HA ARG A 20 3.684 -6.581 -9.415 1.00 64.11 H new ATOM 0 HB2 ARG A 20 2.001 -7.675 -7.890 1.00 74.41 H new ATOM 0 HB3 ARG A 20 3.126 -8.997 -7.654 1.00 74.41 H new ATOM 0 HG2 ARG A 20 4.743 -6.863 -7.072 1.00 71.15 H new ATOM 0 HG3 ARG A 20 3.189 -6.231 -6.565 1.00 71.15 H new ATOM 0 HD2 ARG A 20 4.322 -8.908 -5.674 1.00 35.10 H new ATOM 0 HD3 ARG A 20 4.464 -7.423 -4.755 1.00 35.10 H new ATOM 0 HE ARG A 20 1.834 -7.467 -4.862 1.00 75.14 H new ATOM 0 HH11 ARG A 20 3.935 -10.303 -4.827 1.00 23.12 H new ATOM 0 HH12 ARG A 20 2.795 -11.289 -3.905 1.00 23.12 H new ATOM 0 HH21 ARG A 20 0.390 -8.736 -3.612 1.00 70.21 H new ATOM 0 HH22 ARG A 20 0.805 -10.408 -3.223 1.00 70.21 H new ATOM 328 N GLU A 21 6.069 -7.308 -9.417 1.00 10.22 N ATOM 329 CA GLU A 21 7.504 -7.632 -9.329 1.00 1.42 C ATOM 330 C GLU A 21 7.921 -8.797 -10.231 1.00 3.11 C ATOM 331 O GLU A 21 8.282 -8.600 -11.391 1.00 1.40 O ATOM 332 CB GLU A 21 7.897 -7.946 -7.881 1.00 33.43 C ATOM 333 CG GLU A 21 7.671 -6.796 -6.918 1.00 73.34 C ATOM 334 CD GLU A 21 8.372 -5.532 -7.357 1.00 20.45 C ATOM 335 OE1 GLU A 21 9.618 -5.481 -7.293 1.00 2.42 O ATOM 336 OE2 GLU A 21 7.678 -4.582 -7.767 1.00 70.42 O ATOM 0 H GLU A 21 5.887 -6.318 -9.584 1.00 10.22 H new ATOM 0 HA GLU A 21 8.033 -6.746 -9.680 1.00 1.42 H new ATOM 0 HB2 GLU A 21 7.327 -8.810 -7.540 1.00 33.43 H new ATOM 0 HB3 GLU A 21 8.950 -8.228 -7.854 1.00 33.43 H new ATOM 0 HG2 GLU A 21 6.602 -6.604 -6.830 1.00 73.34 H new ATOM 0 HG3 GLU A 21 8.026 -7.080 -5.927 1.00 73.34 H new ATOM 343 N ASN A 22 7.848 -10.005 -9.676 1.00 43.42 N ATOM 344 CA ASN A 22 8.297 -11.236 -10.336 1.00 54.15 C ATOM 345 C ASN A 22 7.573 -11.466 -11.657 1.00 60.14 C ATOM 346 O ASN A 22 8.030 -12.232 -12.507 1.00 11.14 O ATOM 347 CB ASN A 22 8.025 -12.449 -9.433 1.00 0.52 C ATOM 348 CG ASN A 22 8.656 -12.357 -8.054 1.00 62.01 C ATOM 349 OD1 ASN A 22 8.873 -11.274 -7.512 1.00 53.40 O ATOM 350 ND2 ASN A 22 8.930 -13.507 -7.460 1.00 50.03 N ATOM 0 H ASN A 22 7.470 -10.162 -8.742 1.00 43.42 H new ATOM 0 HA ASN A 22 9.364 -11.123 -10.526 1.00 54.15 H new ATOM 0 HB2 ASN A 22 6.947 -12.568 -9.319 1.00 0.52 H new ATOM 0 HB3 ASN A 22 8.394 -13.347 -9.929 1.00 0.52 H new ATOM 0 HD21 ASN A 22 9.334 -13.514 -6.523 1.00 50.03 H new ATOM 0 HD22 ASN A 22 8.737 -14.387 -7.939 1.00 50.03 H new ATOM 357 N GLY A 23 6.440 -10.808 -11.817 1.00 4.13 N ATOM 358 CA GLY A 23 5.570 -11.096 -12.930 1.00 13.34 C ATOM 359 C GLY A 23 4.381 -11.895 -12.462 1.00 34.20 C ATOM 360 O GLY A 23 3.714 -12.580 -13.242 1.00 42.33 O ATOM 0 H GLY A 23 6.106 -10.075 -11.191 1.00 4.13 H new ATOM 0 HA2 GLY A 23 5.235 -10.166 -13.391 1.00 13.34 H new ATOM 0 HA3 GLY A 23 6.114 -11.652 -13.693 1.00 13.34 H new ATOM 364 N ASP A 24 4.138 -11.820 -11.159 1.00 72.33 N ATOM 365 CA ASP A 24 3.008 -12.495 -10.550 1.00 12.32 C ATOM 366 C ASP A 24 1.731 -11.782 -10.953 1.00 43.25 C ATOM 367 O ASP A 24 1.329 -10.808 -10.316 1.00 22.15 O ATOM 368 CB ASP A 24 3.141 -12.504 -9.023 1.00 21.34 C ATOM 369 CG ASP A 24 2.369 -13.634 -8.371 1.00 72.01 C ATOM 370 OD1 ASP A 24 1.124 -13.575 -8.311 1.00 73.24 O ATOM 371 OD2 ASP A 24 3.018 -14.594 -7.907 1.00 31.33 O ATOM 0 H ASP A 24 4.715 -11.294 -10.503 1.00 72.33 H new ATOM 0 HA ASP A 24 2.981 -13.528 -10.895 1.00 12.32 H new ATOM 0 HB2 ASP A 24 4.194 -12.588 -8.755 1.00 21.34 H new ATOM 0 HB3 ASP A 24 2.787 -11.552 -8.627 1.00 21.34 H new ATOM 376 N ASP A 25 1.153 -12.219 -12.063 1.00 3.25 N ATOM 377 CA ASP A 25 -0.073 -11.623 -12.576 1.00 13.23 C ATOM 378 C ASP A 25 -1.217 -11.820 -11.592 1.00 12.32 C ATOM 379 O ASP A 25 -1.757 -12.921 -11.454 1.00 24.51 O ATOM 380 CB ASP A 25 -0.445 -12.218 -13.940 1.00 21.14 C ATOM 381 CG ASP A 25 0.629 -12.009 -14.993 1.00 43.23 C ATOM 382 OD1 ASP A 25 1.019 -10.850 -15.241 1.00 41.25 O ATOM 383 OD2 ASP A 25 1.093 -13.012 -15.580 1.00 52.42 O ATOM 0 H ASP A 25 1.515 -12.987 -12.628 1.00 3.25 H new ATOM 0 HA ASP A 25 0.103 -10.555 -12.702 1.00 13.23 H new ATOM 0 HB2 ASP A 25 -0.631 -13.286 -13.826 1.00 21.14 H new ATOM 0 HB3 ASP A 25 -1.376 -11.768 -14.285 1.00 21.14 H new ATOM 388 N VAL A 26 -1.558 -10.752 -10.891 1.00 44.42 N ATOM 389 CA VAL A 26 -2.643 -10.774 -9.928 1.00 24.12 C ATOM 390 C VAL A 26 -3.985 -10.784 -10.654 1.00 63.41 C ATOM 391 O VAL A 26 -4.206 -10.001 -11.582 1.00 32.22 O ATOM 392 CB VAL A 26 -2.565 -9.555 -8.976 1.00 64.11 C ATOM 393 CG1 VAL A 26 -3.696 -9.579 -7.961 1.00 21.33 C ATOM 394 CG2 VAL A 26 -1.216 -9.512 -8.270 1.00 63.31 C ATOM 0 H VAL A 26 -1.092 -9.849 -10.974 1.00 44.42 H new ATOM 0 HA VAL A 26 -2.550 -11.681 -9.330 1.00 24.12 H new ATOM 0 HB VAL A 26 -2.671 -8.652 -9.578 1.00 64.11 H new ATOM 0 HG11 VAL A 26 -3.616 -8.711 -7.306 1.00 21.33 H new ATOM 0 HG12 VAL A 26 -4.653 -9.553 -8.482 1.00 21.33 H new ATOM 0 HG13 VAL A 26 -3.632 -10.490 -7.366 1.00 21.33 H new ATOM 0 HG21 VAL A 26 -1.180 -8.649 -7.606 1.00 63.31 H new ATOM 0 HG22 VAL A 26 -1.081 -10.424 -7.688 1.00 63.31 H new ATOM 0 HG23 VAL A 26 -0.420 -9.433 -9.011 1.00 63.31 H new ATOM 404 N PHE A 27 -4.868 -11.678 -10.234 1.00 62.23 N ATOM 405 CA PHE A 27 -6.164 -11.837 -10.874 1.00 32.42 C ATOM 406 C PHE A 27 -7.151 -10.802 -10.343 1.00 1.21 C ATOM 407 O PHE A 27 -7.326 -10.661 -9.133 1.00 42.24 O ATOM 408 CB PHE A 27 -6.686 -13.255 -10.630 1.00 11.51 C ATOM 409 CG PHE A 27 -7.977 -13.562 -11.329 1.00 42.42 C ATOM 410 CD1 PHE A 27 -8.007 -13.758 -12.700 1.00 23.14 C ATOM 411 CD2 PHE A 27 -9.158 -13.663 -10.616 1.00 13.22 C ATOM 412 CE1 PHE A 27 -9.192 -14.047 -13.346 1.00 11.12 C ATOM 413 CE2 PHE A 27 -10.346 -13.953 -11.256 1.00 4.23 C ATOM 414 CZ PHE A 27 -10.363 -14.147 -12.623 1.00 64.02 C ATOM 0 H PHE A 27 -4.708 -12.308 -9.448 1.00 62.23 H new ATOM 0 HA PHE A 27 -6.054 -11.680 -11.947 1.00 32.42 H new ATOM 0 HB2 PHE A 27 -5.930 -13.970 -10.956 1.00 11.51 H new ATOM 0 HB3 PHE A 27 -6.822 -13.401 -9.558 1.00 11.51 H new ATOM 0 HD1 PHE A 27 -7.093 -13.684 -13.270 1.00 23.14 H new ATOM 0 HD2 PHE A 27 -9.150 -13.513 -9.546 1.00 13.22 H new ATOM 0 HE1 PHE A 27 -9.203 -14.195 -14.416 1.00 11.12 H new ATOM 0 HE2 PHE A 27 -11.262 -14.028 -10.688 1.00 4.23 H new ATOM 0 HZ PHE A 27 -11.291 -14.377 -13.125 1.00 64.02 H new ATOM 424 N VAL A 28 -7.789 -10.069 -11.242 1.00 11.51 N ATOM 425 CA VAL A 28 -8.709 -9.017 -10.839 1.00 32.44 C ATOM 426 C VAL A 28 -10.041 -9.114 -11.588 1.00 32.55 C ATOM 427 O VAL A 28 -10.094 -9.565 -12.734 1.00 41.32 O ATOM 428 CB VAL A 28 -8.081 -7.616 -11.053 1.00 63.32 C ATOM 429 CG1 VAL A 28 -7.831 -7.341 -12.529 1.00 20.10 C ATOM 430 CG2 VAL A 28 -8.950 -6.528 -10.441 1.00 54.11 C ATOM 0 H VAL A 28 -7.688 -10.182 -12.251 1.00 11.51 H new ATOM 0 HA VAL A 28 -8.906 -9.155 -9.776 1.00 32.44 H new ATOM 0 HB VAL A 28 -7.117 -7.607 -10.544 1.00 63.32 H new ATOM 0 HG11 VAL A 28 -7.390 -6.351 -12.645 1.00 20.10 H new ATOM 0 HG12 VAL A 28 -7.148 -8.091 -12.928 1.00 20.10 H new ATOM 0 HG13 VAL A 28 -8.775 -7.384 -13.072 1.00 20.10 H new ATOM 0 HG21 VAL A 28 -8.486 -5.556 -10.606 1.00 54.11 H new ATOM 0 HG22 VAL A 28 -9.935 -6.544 -10.908 1.00 54.11 H new ATOM 0 HG23 VAL A 28 -9.053 -6.704 -9.370 1.00 54.11 H new ATOM 440 N HIS A 29 -11.117 -8.719 -10.916 1.00 13.41 N ATOM 441 CA HIS A 29 -12.439 -8.646 -11.529 1.00 23.22 C ATOM 442 C HIS A 29 -12.838 -7.188 -11.716 1.00 61.44 C ATOM 443 O HIS A 29 -12.317 -6.306 -11.031 1.00 41.23 O ATOM 444 CB HIS A 29 -13.492 -9.349 -10.665 1.00 72.52 C ATOM 445 CG HIS A 29 -13.448 -10.844 -10.721 1.00 22.33 C ATOM 446 ND1 HIS A 29 -13.488 -11.634 -9.596 1.00 41.33 N ATOM 447 CD2 HIS A 29 -13.408 -11.693 -11.774 1.00 65.33 C ATOM 448 CE1 HIS A 29 -13.473 -12.905 -9.953 1.00 53.40 C ATOM 449 NE2 HIS A 29 -13.427 -12.971 -11.269 1.00 30.34 N ATOM 0 H HIS A 29 -11.098 -8.441 -9.935 1.00 13.41 H new ATOM 0 HA HIS A 29 -12.391 -9.149 -12.495 1.00 23.22 H new ATOM 0 HB2 HIS A 29 -13.363 -9.034 -9.630 1.00 72.52 H new ATOM 0 HB3 HIS A 29 -14.481 -9.016 -10.979 1.00 72.52 H new ATOM 0 HD2 HIS A 29 -13.368 -11.417 -12.818 1.00 65.33 H new ATOM 0 HE1 HIS A 29 -13.495 -13.749 -9.280 1.00 53.40 H new ATOM 0 HE2 HIS A 29 -13.409 -13.829 -11.821 1.00 30.34 H new ATOM 458 N PHE A 30 -13.784 -6.936 -12.610 1.00 4.25 N ATOM 459 CA PHE A 30 -14.239 -5.574 -12.874 1.00 11.02 C ATOM 460 C PHE A 30 -15.068 -5.033 -11.716 1.00 14.41 C ATOM 461 O PHE A 30 -15.314 -3.834 -11.628 1.00 53.24 O ATOM 462 CB PHE A 30 -15.034 -5.513 -14.177 1.00 54.42 C ATOM 463 CG PHE A 30 -14.162 -5.524 -15.399 1.00 52.21 C ATOM 464 CD1 PHE A 30 -13.718 -6.716 -15.945 1.00 34.14 C ATOM 465 CD2 PHE A 30 -13.780 -4.334 -15.998 1.00 33.44 C ATOM 466 CE1 PHE A 30 -12.905 -6.722 -17.062 1.00 2.15 C ATOM 467 CE2 PHE A 30 -12.969 -4.334 -17.116 1.00 34.35 C ATOM 468 CZ PHE A 30 -12.532 -5.530 -17.649 1.00 62.15 C ATOM 0 H PHE A 30 -14.252 -7.653 -13.164 1.00 4.25 H new ATOM 0 HA PHE A 30 -13.356 -4.943 -12.977 1.00 11.02 H new ATOM 0 HB2 PHE A 30 -15.718 -6.360 -14.218 1.00 54.42 H new ATOM 0 HB3 PHE A 30 -15.644 -4.610 -14.181 1.00 54.42 H new ATOM 0 HD1 PHE A 30 -14.010 -7.652 -15.493 1.00 34.14 H new ATOM 0 HD2 PHE A 30 -14.120 -3.396 -15.586 1.00 33.44 H new ATOM 0 HE1 PHE A 30 -12.562 -7.659 -17.475 1.00 2.15 H new ATOM 0 HE2 PHE A 30 -12.677 -3.400 -17.572 1.00 34.35 H new ATOM 0 HZ PHE A 30 -11.899 -5.533 -18.524 1.00 62.15 H new ATOM 478 N SER A 31 -15.489 -5.925 -10.831 1.00 51.42 N ATOM 479 CA SER A 31 -16.193 -5.530 -9.618 1.00 45.15 C ATOM 480 C SER A 31 -15.223 -4.852 -8.644 1.00 13.43 C ATOM 481 O SER A 31 -15.627 -4.086 -7.765 1.00 2.44 O ATOM 482 CB SER A 31 -16.835 -6.761 -8.966 1.00 13.02 C ATOM 483 OG SER A 31 -17.721 -6.395 -7.924 1.00 2.40 O ATOM 0 H SER A 31 -15.355 -6.931 -10.930 1.00 51.42 H new ATOM 0 HA SER A 31 -16.978 -4.819 -9.875 1.00 45.15 H new ATOM 0 HB2 SER A 31 -17.376 -7.333 -9.720 1.00 13.02 H new ATOM 0 HB3 SER A 31 -16.056 -7.412 -8.570 1.00 13.02 H new ATOM 0 HG SER A 31 -18.114 -7.202 -7.531 1.00 2.40 H new ATOM 489 N ALA A 32 -13.934 -5.137 -8.816 1.00 35.34 N ATOM 490 CA ALA A 32 -12.898 -4.557 -7.975 1.00 73.32 C ATOM 491 C ALA A 32 -12.212 -3.402 -8.694 1.00 34.42 C ATOM 492 O ALA A 32 -11.612 -2.527 -8.067 1.00 31.03 O ATOM 493 CB ALA A 32 -11.889 -5.623 -7.578 1.00 43.54 C ATOM 0 H ALA A 32 -13.584 -5.770 -9.535 1.00 35.34 H new ATOM 0 HA ALA A 32 -13.360 -4.165 -7.069 1.00 73.32 H new ATOM 0 HB1 ALA A 32 -11.118 -5.178 -6.949 1.00 43.54 H new ATOM 0 HB2 ALA A 32 -12.395 -6.415 -7.026 1.00 43.54 H new ATOM 0 HB3 ALA A 32 -11.430 -6.041 -8.474 1.00 43.54 H new ATOM 499 N ILE A 33 -12.298 -3.411 -10.017 1.00 73.11 N ATOM 500 CA ILE A 33 -11.793 -2.313 -10.823 1.00 21.41 C ATOM 501 C ILE A 33 -12.771 -1.143 -10.758 1.00 72.03 C ATOM 502 O ILE A 33 -13.982 -1.347 -10.651 1.00 25.23 O ATOM 503 CB ILE A 33 -11.593 -2.748 -12.296 1.00 75.31 C ATOM 504 CG1 ILE A 33 -10.629 -3.939 -12.374 1.00 21.23 C ATOM 505 CG2 ILE A 33 -11.079 -1.587 -13.142 1.00 70.34 C ATOM 506 CD1 ILE A 33 -10.453 -4.489 -13.774 1.00 21.01 C ATOM 0 H ILE A 33 -12.715 -4.171 -10.555 1.00 73.11 H new ATOM 0 HA ILE A 33 -10.825 -2.009 -10.425 1.00 21.41 H new ATOM 0 HB ILE A 33 -12.560 -3.055 -12.696 1.00 75.31 H new ATOM 0 HG12 ILE A 33 -9.656 -3.634 -11.988 1.00 21.23 H new ATOM 0 HG13 ILE A 33 -10.994 -4.734 -11.724 1.00 21.23 H new ATOM 0 HG21 ILE A 33 -10.947 -1.918 -14.172 1.00 70.34 H new ATOM 0 HG22 ILE A 33 -11.799 -0.769 -13.113 1.00 70.34 H new ATOM 0 HG23 ILE A 33 -10.124 -1.243 -12.746 1.00 70.34 H new ATOM 0 HD11 ILE A 33 -9.758 -5.328 -13.750 1.00 21.01 H new ATOM 0 HD12 ILE A 33 -11.416 -4.826 -14.156 1.00 21.01 H new ATOM 0 HD13 ILE A 33 -10.058 -3.709 -14.424 1.00 21.01 H new ATOM 518 N GLN A 34 -12.249 0.076 -10.793 1.00 35.30 N ATOM 519 CA GLN A 34 -13.094 1.262 -10.794 1.00 44.11 C ATOM 520 C GLN A 34 -13.859 1.378 -12.115 1.00 62.15 C ATOM 521 O GLN A 34 -13.315 1.794 -13.138 1.00 15.11 O ATOM 522 CB GLN A 34 -12.256 2.519 -10.533 1.00 12.43 C ATOM 523 CG GLN A 34 -11.045 2.656 -11.442 1.00 60.14 C ATOM 524 CD GLN A 34 -10.223 3.893 -11.142 1.00 22.33 C ATOM 525 OE1 GLN A 34 -8.926 3.811 -11.381 1.00 31.41 O flip ATOM 526 NE2 GLN A 34 -10.746 4.913 -10.697 1.00 32.34 N flip ATOM 0 H GLN A 34 -11.248 0.269 -10.821 1.00 35.30 H new ATOM 0 HA GLN A 34 -13.823 1.168 -9.989 1.00 44.11 H new ATOM 0 HB2 GLN A 34 -12.890 3.397 -10.655 1.00 12.43 H new ATOM 0 HB3 GLN A 34 -11.920 2.510 -9.496 1.00 12.43 H new ATOM 0 HG2 GLN A 34 -10.415 1.773 -11.337 1.00 60.14 H new ATOM 0 HG3 GLN A 34 -11.377 2.689 -12.480 1.00 60.14 H new ATOM 0 HE21 GLN A 34 -11.751 4.938 -10.526 1.00 32.34 H new ATOM 0 HE22 GLN A 34 -10.175 5.735 -10.499 1.00 32.34 H new ATOM 603 N SER A 40 -11.265 2.102 -19.183 1.00 5.22 N ATOM 604 CA SER A 40 -10.462 1.057 -19.798 1.00 32.34 C ATOM 605 C SER A 40 -8.988 1.220 -19.442 1.00 34.34 C ATOM 606 O SER A 40 -8.406 2.289 -19.632 1.00 2.12 O ATOM 607 CB SER A 40 -10.643 1.075 -21.319 1.00 44.25 C ATOM 608 OG SER A 40 -12.010 0.924 -21.671 1.00 3.14 O ATOM 0 HA SER A 40 -10.802 0.096 -19.412 1.00 32.34 H new ATOM 0 HB2 SER A 40 -10.261 2.013 -21.723 1.00 44.25 H new ATOM 0 HB3 SER A 40 -10.058 0.273 -21.768 1.00 44.25 H new ATOM 0 HG SER A 40 -12.574 1.229 -20.930 1.00 3.14 H new ATOM 614 N LEU A 41 -8.402 0.163 -18.902 1.00 12.21 N ATOM 615 CA LEU A 41 -6.978 0.141 -18.612 1.00 3.20 C ATOM 616 C LEU A 41 -6.230 -0.407 -19.817 1.00 11.14 C ATOM 617 O LEU A 41 -6.685 -1.355 -20.459 1.00 73.43 O ATOM 618 CB LEU A 41 -6.672 -0.714 -17.371 1.00 12.31 C ATOM 619 CG LEU A 41 -7.153 -0.150 -16.025 1.00 14.50 C ATOM 620 CD1 LEU A 41 -6.699 1.290 -15.852 1.00 11.31 C ATOM 621 CD2 LEU A 41 -8.666 -0.257 -15.886 1.00 32.14 C ATOM 0 H LEU A 41 -8.894 -0.695 -18.655 1.00 12.21 H new ATOM 0 HA LEU A 41 -6.652 1.160 -18.403 1.00 3.20 H new ATOM 0 HB2 LEU A 41 -7.123 -1.696 -17.512 1.00 12.31 H new ATOM 0 HB3 LEU A 41 -5.594 -0.863 -17.315 1.00 12.31 H new ATOM 0 HG LEU A 41 -6.703 -0.751 -15.235 1.00 14.50 H new ATOM 0 HD11 LEU A 41 -7.050 1.670 -14.893 1.00 11.31 H new ATOM 0 HD12 LEU A 41 -5.610 1.335 -15.883 1.00 11.31 H new ATOM 0 HD13 LEU A 41 -7.110 1.900 -16.656 1.00 11.31 H new ATOM 0 HD21 LEU A 41 -8.973 0.151 -14.923 1.00 32.14 H new ATOM 0 HD22 LEU A 41 -9.146 0.305 -16.687 1.00 32.14 H new ATOM 0 HD23 LEU A 41 -8.964 -1.304 -15.948 1.00 32.14 H new ATOM 633 N ASP A 42 -5.099 0.192 -20.137 1.00 54.51 N ATOM 634 CA ASP A 42 -4.325 -0.242 -21.288 1.00 74.11 C ATOM 635 C ASP A 42 -3.321 -1.310 -20.878 1.00 51.43 C ATOM 636 O ASP A 42 -2.818 -1.300 -19.753 1.00 14.54 O ATOM 637 CB ASP A 42 -3.607 0.946 -21.927 1.00 63.05 C ATOM 638 CG ASP A 42 -2.932 0.576 -23.231 1.00 53.31 C ATOM 639 OD1 ASP A 42 -3.646 0.344 -24.228 1.00 71.34 O ATOM 640 OD2 ASP A 42 -1.687 0.517 -23.272 1.00 54.51 O ATOM 0 H ASP A 42 -4.697 0.975 -19.622 1.00 54.51 H new ATOM 0 HA ASP A 42 -5.007 -0.670 -22.023 1.00 74.11 H new ATOM 0 HB2 ASP A 42 -4.324 1.747 -22.106 1.00 63.05 H new ATOM 0 HB3 ASP A 42 -2.862 1.334 -21.232 1.00 63.05 H new ATOM 645 N GLU A 43 -3.054 -2.242 -21.780 1.00 23.22 N ATOM 646 CA GLU A 43 -2.085 -3.296 -21.523 1.00 43.05 C ATOM 647 C GLU A 43 -0.672 -2.715 -21.520 1.00 43.33 C ATOM 648 O GLU A 43 -0.095 -2.446 -22.576 1.00 61.15 O ATOM 649 CB GLU A 43 -2.220 -4.401 -22.571 1.00 23.05 C ATOM 650 CG GLU A 43 -3.592 -5.058 -22.577 1.00 63.13 C ATOM 651 CD GLU A 43 -3.789 -6.000 -23.745 1.00 15.42 C ATOM 652 OE1 GLU A 43 -3.434 -7.188 -23.627 1.00 1.45 O ATOM 653 OE2 GLU A 43 -4.311 -5.554 -24.791 1.00 52.11 O ATOM 0 H GLU A 43 -3.496 -2.290 -22.698 1.00 23.22 H new ATOM 0 HA GLU A 43 -2.279 -3.731 -20.543 1.00 43.05 H new ATOM 0 HB2 GLU A 43 -2.020 -3.983 -23.558 1.00 23.05 H new ATOM 0 HB3 GLU A 43 -1.461 -5.162 -22.387 1.00 23.05 H new ATOM 0 HG2 GLU A 43 -3.730 -5.608 -21.646 1.00 63.13 H new ATOM 0 HG3 GLU A 43 -4.359 -4.285 -22.607 1.00 63.13 H new ATOM 660 N GLY A 44 -0.131 -2.520 -20.325 1.00 33.24 N ATOM 661 CA GLY A 44 1.142 -1.843 -20.176 1.00 11.43 C ATOM 662 C GLY A 44 1.029 -0.628 -19.269 1.00 74.54 C ATOM 663 O GLY A 44 2.006 0.083 -19.045 1.00 35.14 O ATOM 0 H GLY A 44 -0.556 -2.822 -19.448 1.00 33.24 H new ATOM 0 HA2 GLY A 44 1.877 -2.536 -19.767 1.00 11.43 H new ATOM 0 HA3 GLY A 44 1.507 -1.534 -21.155 1.00 11.43 H new ATOM 667 N GLN A 45 -0.174 -0.394 -18.748 1.00 50.12 N ATOM 668 CA GLN A 45 -0.434 0.742 -17.862 1.00 42.42 C ATOM 669 C GLN A 45 -0.138 0.377 -16.407 1.00 10.33 C ATOM 670 O GLN A 45 -0.449 -0.729 -15.965 1.00 54.31 O ATOM 671 CB GLN A 45 -1.898 1.185 -18.003 1.00 70.24 C ATOM 672 CG GLN A 45 -2.338 2.229 -16.986 1.00 54.21 C ATOM 673 CD GLN A 45 -1.603 3.546 -17.127 1.00 64.33 C ATOM 674 OE1 GLN A 45 -1.215 3.941 -18.224 1.00 4.42 O ATOM 675 NE2 GLN A 45 -1.393 4.224 -16.013 1.00 44.12 N ATOM 0 H GLN A 45 -0.990 -0.980 -18.925 1.00 50.12 H new ATOM 0 HA GLN A 45 0.223 1.563 -18.150 1.00 42.42 H new ATOM 0 HB2 GLN A 45 -2.049 1.585 -19.006 1.00 70.24 H new ATOM 0 HB3 GLN A 45 -2.541 0.310 -17.909 1.00 70.24 H new ATOM 0 HG2 GLN A 45 -3.408 2.404 -17.095 1.00 54.21 H new ATOM 0 HG3 GLN A 45 -2.179 1.838 -15.981 1.00 54.21 H new ATOM 0 HE21 GLN A 45 -1.732 3.860 -15.123 1.00 44.12 H new ATOM 0 HE22 GLN A 45 -0.892 5.112 -16.043 1.00 44.12 H new ATOM 684 N ALA A 46 0.461 1.303 -15.670 1.00 41.10 N ATOM 685 CA ALA A 46 0.728 1.094 -14.254 1.00 21.20 C ATOM 686 C ALA A 46 -0.439 1.594 -13.404 1.00 23.41 C ATOM 687 O ALA A 46 -0.937 2.706 -13.597 1.00 42.32 O ATOM 688 CB ALA A 46 2.022 1.785 -13.847 1.00 53.35 C ATOM 0 H ALA A 46 0.771 2.206 -16.030 1.00 41.10 H new ATOM 0 HA ALA A 46 0.840 0.024 -14.082 1.00 21.20 H new ATOM 0 HB1 ALA A 46 2.205 1.618 -12.786 1.00 53.35 H new ATOM 0 HB2 ALA A 46 2.850 1.377 -14.427 1.00 53.35 H new ATOM 0 HB3 ALA A 46 1.938 2.855 -14.037 1.00 53.35 H new ATOM 694 N VAL A 47 -0.878 0.762 -12.471 1.00 72.13 N ATOM 695 CA VAL A 47 -2.000 1.098 -11.604 1.00 14.02 C ATOM 696 C VAL A 47 -1.662 0.809 -10.145 1.00 62.12 C ATOM 697 O VAL A 47 -0.676 0.135 -9.852 1.00 64.13 O ATOM 698 CB VAL A 47 -3.273 0.311 -11.990 1.00 61.30 C ATOM 699 CG1 VAL A 47 -3.791 0.744 -13.352 1.00 32.21 C ATOM 700 CG2 VAL A 47 -3.000 -1.186 -11.978 1.00 43.25 C ATOM 0 H VAL A 47 -0.472 -0.157 -12.294 1.00 72.13 H new ATOM 0 HA VAL A 47 -2.193 2.163 -11.732 1.00 14.02 H new ATOM 0 HB VAL A 47 -4.042 0.531 -11.249 1.00 61.30 H new ATOM 0 HG11 VAL A 47 -4.687 0.174 -13.598 1.00 32.21 H new ATOM 0 HG12 VAL A 47 -4.032 1.807 -13.329 1.00 32.21 H new ATOM 0 HG13 VAL A 47 -3.026 0.562 -14.107 1.00 32.21 H new ATOM 0 HG21 VAL A 47 -3.908 -1.724 -12.252 1.00 43.25 H new ATOM 0 HG22 VAL A 47 -2.211 -1.418 -12.693 1.00 43.25 H new ATOM 0 HG23 VAL A 47 -2.686 -1.491 -10.980 1.00 43.25 H new ATOM 710 N THR A 48 -2.484 1.311 -9.239 1.00 15.04 N ATOM 711 CA THR A 48 -2.284 1.097 -7.816 1.00 60.44 C ATOM 712 C THR A 48 -3.499 0.399 -7.212 1.00 61.03 C ATOM 713 O THR A 48 -4.599 0.945 -7.187 1.00 32.40 O ATOM 714 CB THR A 48 -2.006 2.428 -7.083 1.00 11.43 C ATOM 715 OG1 THR A 48 -2.855 3.463 -7.599 1.00 62.24 O ATOM 716 CG2 THR A 48 -0.547 2.841 -7.235 1.00 62.12 C ATOM 0 H THR A 48 -3.303 1.874 -9.467 1.00 15.04 H new ATOM 0 HA THR A 48 -1.410 0.458 -7.690 1.00 60.44 H new ATOM 0 HB THR A 48 -2.217 2.280 -6.024 1.00 11.43 H new ATOM 0 HG1 THR A 48 -2.672 4.302 -7.127 1.00 62.24 H new ATOM 0 HG21 THR A 48 -0.378 3.781 -6.710 1.00 62.12 H new ATOM 0 HG22 THR A 48 0.096 2.069 -6.812 1.00 62.12 H new ATOM 0 HG23 THR A 48 -0.313 2.969 -8.292 1.00 62.12 H new ATOM 724 N PHE A 49 -3.292 -0.815 -6.741 1.00 40.41 N ATOM 725 CA PHE A 49 -4.382 -1.648 -6.259 1.00 14.21 C ATOM 726 C PHE A 49 -4.005 -2.300 -4.940 1.00 72.23 C ATOM 727 O PHE A 49 -2.836 -2.296 -4.556 1.00 21.35 O ATOM 728 CB PHE A 49 -4.709 -2.723 -7.300 1.00 2.33 C ATOM 729 CG PHE A 49 -3.513 -3.528 -7.730 1.00 13.12 C ATOM 730 CD1 PHE A 49 -3.137 -4.662 -7.032 1.00 44.22 C ATOM 731 CD2 PHE A 49 -2.764 -3.147 -8.830 1.00 73.45 C ATOM 732 CE1 PHE A 49 -2.039 -5.403 -7.423 1.00 24.12 C ATOM 733 CE2 PHE A 49 -1.665 -3.882 -9.224 1.00 50.13 C ATOM 734 CZ PHE A 49 -1.301 -5.012 -8.520 1.00 61.30 C ATOM 0 H PHE A 49 -2.372 -1.251 -6.681 1.00 40.41 H new ATOM 0 HA PHE A 49 -5.260 -1.023 -6.099 1.00 14.21 H new ATOM 0 HB2 PHE A 49 -5.462 -3.397 -6.890 1.00 2.33 H new ATOM 0 HB3 PHE A 49 -5.150 -2.247 -8.176 1.00 2.33 H new ATOM 0 HD1 PHE A 49 -3.710 -4.972 -6.170 1.00 44.22 H new ATOM 0 HD2 PHE A 49 -3.043 -2.264 -9.386 1.00 73.45 H new ATOM 0 HE1 PHE A 49 -1.759 -6.288 -6.870 1.00 24.12 H new ATOM 0 HE2 PHE A 49 -1.089 -3.573 -10.084 1.00 50.13 H new ATOM 0 HZ PHE A 49 -0.441 -5.588 -8.827 1.00 61.30 H new ATOM 744 N ASP A 50 -4.983 -2.854 -4.241 1.00 23.22 N ATOM 745 CA ASP A 50 -4.690 -3.589 -3.017 1.00 71.32 C ATOM 746 C ASP A 50 -4.851 -5.086 -3.244 1.00 41.03 C ATOM 747 O ASP A 50 -5.915 -5.554 -3.642 1.00 35.45 O ATOM 748 CB ASP A 50 -5.581 -3.129 -1.863 1.00 53.24 C ATOM 749 CG ASP A 50 -5.128 -3.706 -0.535 1.00 61.41 C ATOM 750 OD1 ASP A 50 -3.923 -4.000 -0.392 1.00 4.12 O ATOM 751 OD2 ASP A 50 -5.963 -3.852 0.379 1.00 14.21 O ATOM 0 H ASP A 50 -5.971 -2.812 -4.493 1.00 23.22 H new ATOM 0 HA ASP A 50 -3.655 -3.382 -2.745 1.00 71.32 H new ATOM 0 HB2 ASP A 50 -5.571 -2.040 -1.808 1.00 53.24 H new ATOM 0 HB3 ASP A 50 -6.611 -3.429 -2.057 1.00 53.24 H new ATOM 756 N VAL A 51 -3.784 -5.833 -3.010 1.00 4.40 N ATOM 757 CA VAL A 51 -3.808 -7.272 -3.215 1.00 22.54 C ATOM 758 C VAL A 51 -4.518 -7.984 -2.066 1.00 74.55 C ATOM 759 O VAL A 51 -4.082 -7.923 -0.917 1.00 2.14 O ATOM 760 CB VAL A 51 -2.384 -7.849 -3.364 1.00 64.22 C ATOM 761 CG1 VAL A 51 -2.431 -9.359 -3.551 1.00 22.20 C ATOM 762 CG2 VAL A 51 -1.658 -7.191 -4.527 1.00 50.43 C ATOM 0 H VAL A 51 -2.892 -5.467 -2.678 1.00 4.40 H new ATOM 0 HA VAL A 51 -4.358 -7.446 -4.140 1.00 22.54 H new ATOM 0 HB VAL A 51 -1.833 -7.634 -2.448 1.00 64.22 H new ATOM 0 HG11 VAL A 51 -1.417 -9.745 -3.654 1.00 22.20 H new ATOM 0 HG12 VAL A 51 -2.908 -9.818 -2.685 1.00 22.20 H new ATOM 0 HG13 VAL A 51 -3.002 -9.597 -4.448 1.00 22.20 H new ATOM 0 HG21 VAL A 51 -0.656 -7.611 -4.615 1.00 50.43 H new ATOM 0 HG22 VAL A 51 -2.210 -7.372 -5.449 1.00 50.43 H new ATOM 0 HG23 VAL A 51 -1.587 -6.118 -4.351 1.00 50.43 H new ATOM 772 N GLU A 52 -5.617 -8.641 -2.391 1.00 73.34 N ATOM 773 CA GLU A 52 -6.336 -9.472 -1.442 1.00 53.15 C ATOM 774 C GLU A 52 -5.856 -10.913 -1.584 1.00 11.33 C ATOM 775 O GLU A 52 -5.996 -11.523 -2.647 1.00 1.44 O ATOM 776 CB GLU A 52 -7.842 -9.377 -1.710 1.00 73.22 C ATOM 777 CG GLU A 52 -8.692 -10.324 -0.874 1.00 74.35 C ATOM 778 CD GLU A 52 -8.768 -9.934 0.586 1.00 41.44 C ATOM 779 OE1 GLU A 52 -9.498 -8.978 0.911 1.00 43.51 O ATOM 780 OE2 GLU A 52 -8.116 -10.596 1.418 1.00 73.23 O ATOM 0 H GLU A 52 -6.036 -8.613 -3.320 1.00 73.34 H new ATOM 0 HA GLU A 52 -6.145 -9.130 -0.425 1.00 53.15 H new ATOM 0 HB2 GLU A 52 -8.168 -8.354 -1.522 1.00 73.22 H new ATOM 0 HB3 GLU A 52 -8.024 -9.581 -2.765 1.00 73.22 H new ATOM 0 HG2 GLU A 52 -9.700 -10.355 -1.287 1.00 74.35 H new ATOM 0 HG3 GLU A 52 -8.284 -11.332 -0.952 1.00 74.35 H new ATOM 787 N GLU A 53 -5.259 -11.444 -0.534 1.00 12.51 N ATOM 788 CA GLU A 53 -4.767 -12.811 -0.562 1.00 21.31 C ATOM 789 C GLU A 53 -5.827 -13.759 -0.025 1.00 71.34 C ATOM 790 O GLU A 53 -5.971 -13.934 1.189 1.00 64.31 O ATOM 791 CB GLU A 53 -3.469 -12.929 0.236 1.00 41.34 C ATOM 792 CG GLU A 53 -2.353 -12.056 -0.315 1.00 21.54 C ATOM 793 CD GLU A 53 -1.060 -12.216 0.447 1.00 54.32 C ATOM 794 OE1 GLU A 53 -0.910 -11.572 1.504 1.00 64.42 O ATOM 795 OE2 GLU A 53 -0.186 -12.986 -0.007 1.00 10.43 O ATOM 0 H GLU A 53 -5.103 -10.953 0.346 1.00 12.51 H new ATOM 0 HA GLU A 53 -4.552 -13.088 -1.594 1.00 21.31 H new ATOM 0 HB2 GLU A 53 -3.660 -12.654 1.273 1.00 41.34 H new ATOM 0 HB3 GLU A 53 -3.143 -13.969 0.237 1.00 41.34 H new ATOM 0 HG2 GLU A 53 -2.186 -12.305 -1.363 1.00 21.54 H new ATOM 0 HG3 GLU A 53 -2.663 -11.012 -0.281 1.00 21.54 H new ATOM 802 N GLY A 54 -6.589 -14.343 -0.939 1.00 12.43 N ATOM 803 CA GLY A 54 -7.680 -15.210 -0.555 1.00 35.43 C ATOM 804 C GLY A 54 -7.352 -16.675 -0.736 1.00 52.42 C ATOM 805 O GLY A 54 -6.210 -17.094 -0.534 1.00 50.11 O ATOM 0 H GLY A 54 -6.468 -14.229 -1.945 1.00 12.43 H new ATOM 0 HA2 GLY A 54 -7.936 -15.025 0.488 1.00 35.43 H new ATOM 0 HA3 GLY A 54 -8.561 -14.963 -1.148 1.00 35.43 H new ATOM 809 N GLN A 55 -8.346 -17.448 -1.143 1.00 3.33 N ATOM 810 CA GLN A 55 -8.194 -18.890 -1.262 1.00 12.23 C ATOM 811 C GLN A 55 -7.624 -19.261 -2.624 1.00 15.22 C ATOM 812 O GLN A 55 -6.774 -20.141 -2.736 1.00 42.22 O ATOM 813 CB GLN A 55 -9.537 -19.606 -1.058 1.00 41.31 C ATOM 814 CG GLN A 55 -10.143 -19.435 0.329 1.00 14.14 C ATOM 815 CD GLN A 55 -10.838 -18.099 0.521 1.00 43.34 C ATOM 816 OE1 GLN A 55 -10.227 -17.119 0.941 1.00 33.11 O ATOM 817 NE2 GLN A 55 -12.127 -18.054 0.221 1.00 62.35 N ATOM 0 H GLN A 55 -9.270 -17.100 -1.397 1.00 3.33 H new ATOM 0 HA GLN A 55 -7.502 -19.212 -0.484 1.00 12.23 H new ATOM 0 HB2 GLN A 55 -10.247 -19.237 -1.798 1.00 41.31 H new ATOM 0 HB3 GLN A 55 -9.400 -20.670 -1.251 1.00 41.31 H new ATOM 0 HG2 GLN A 55 -10.859 -20.238 0.506 1.00 14.14 H new ATOM 0 HG3 GLN A 55 -9.357 -19.538 1.077 1.00 14.14 H new ATOM 0 HE21 GLN A 55 -12.599 -18.889 -0.125 1.00 62.35 H new ATOM 0 HE22 GLN A 55 -12.647 -17.184 0.336 1.00 62.35 H new ATOM 826 N ARG A 56 -8.090 -18.582 -3.658 1.00 53.04 N ATOM 827 CA ARG A 56 -7.680 -18.902 -5.018 1.00 62.22 C ATOM 828 C ARG A 56 -6.757 -17.833 -5.583 1.00 41.34 C ATOM 829 O ARG A 56 -7.197 -16.932 -6.298 1.00 25.01 O ATOM 830 CB ARG A 56 -8.905 -19.088 -5.916 1.00 13.41 C ATOM 831 CG ARG A 56 -9.714 -20.328 -5.576 1.00 41.34 C ATOM 832 CD ARG A 56 -11.011 -20.380 -6.364 1.00 44.33 C ATOM 833 NE ARG A 56 -11.958 -19.351 -5.933 1.00 12.25 N ATOM 834 CZ ARG A 56 -12.909 -18.838 -6.711 1.00 62.34 C ATOM 835 NH1 ARG A 56 -13.029 -19.227 -7.974 1.00 34.25 N ATOM 836 NH2 ARG A 56 -13.742 -17.929 -6.226 1.00 45.05 N ATOM 0 H ARG A 56 -8.750 -17.808 -3.584 1.00 53.04 H new ATOM 0 HA ARG A 56 -7.124 -19.839 -4.990 1.00 62.22 H new ATOM 0 HB2 ARG A 56 -9.545 -18.210 -5.832 1.00 13.41 H new ATOM 0 HB3 ARG A 56 -8.580 -19.148 -6.955 1.00 13.41 H new ATOM 0 HG2 ARG A 56 -9.123 -21.219 -5.788 1.00 41.34 H new ATOM 0 HG3 ARG A 56 -9.935 -20.338 -4.509 1.00 41.34 H new ATOM 0 HD2 ARG A 56 -10.796 -20.252 -7.425 1.00 44.33 H new ATOM 0 HD3 ARG A 56 -11.467 -21.363 -6.247 1.00 44.33 H new ATOM 0 HE ARG A 56 -11.885 -19.005 -4.976 1.00 12.25 H new ATOM 0 HH11 ARG A 56 -12.390 -19.924 -8.356 1.00 34.25 H new ATOM 0 HH12 ARG A 56 -13.760 -18.829 -8.563 1.00 34.25 H new ATOM 0 HH21 ARG A 56 -13.655 -17.623 -5.257 1.00 45.05 H new ATOM 0 HH22 ARG A 56 -14.471 -17.536 -6.822 1.00 45.05 H new ATOM 850 N GLY A 57 -5.481 -17.932 -5.231 1.00 63.53 N ATOM 851 CA GLY A 57 -4.490 -17.001 -5.730 1.00 24.31 C ATOM 852 C GLY A 57 -4.663 -15.600 -5.175 1.00 33.50 C ATOM 853 O GLY A 57 -5.448 -15.385 -4.245 1.00 55.43 O ATOM 0 H GLY A 57 -5.114 -18.647 -4.603 1.00 63.53 H new ATOM 0 HA2 GLY A 57 -3.495 -17.367 -5.476 1.00 24.31 H new ATOM 0 HA3 GLY A 57 -4.548 -16.965 -6.818 1.00 24.31 H new ATOM 857 N PRO A 58 -3.914 -14.627 -5.706 1.00 62.41 N ATOM 858 CA PRO A 58 -4.050 -13.231 -5.325 1.00 74.52 C ATOM 859 C PRO A 58 -5.122 -12.521 -6.149 1.00 75.44 C ATOM 860 O PRO A 58 -5.075 -12.518 -7.381 1.00 5.50 O ATOM 861 CB PRO A 58 -2.663 -12.667 -5.626 1.00 41.22 C ATOM 862 CG PRO A 58 -2.167 -13.471 -6.783 1.00 21.34 C ATOM 863 CD PRO A 58 -2.852 -14.817 -6.714 1.00 30.22 C ATOM 0 HA PRO A 58 -4.361 -13.100 -4.289 1.00 74.52 H new ATOM 0 HB2 PRO A 58 -2.712 -11.607 -5.873 1.00 41.22 H new ATOM 0 HB3 PRO A 58 -2.002 -12.763 -4.765 1.00 41.22 H new ATOM 0 HG2 PRO A 58 -2.393 -12.971 -7.725 1.00 21.34 H new ATOM 0 HG3 PRO A 58 -1.084 -13.587 -6.736 1.00 21.34 H new ATOM 0 HD2 PRO A 58 -3.266 -15.104 -7.681 1.00 30.22 H new ATOM 0 HD3 PRO A 58 -2.158 -15.603 -6.419 1.00 30.22 H new ATOM 871 N GLN A 59 -6.094 -11.942 -5.467 1.00 31.42 N ATOM 872 CA GLN A 59 -7.153 -11.201 -6.131 1.00 12.43 C ATOM 873 C GLN A 59 -6.991 -9.712 -5.859 1.00 51.44 C ATOM 874 O GLN A 59 -6.860 -9.290 -4.714 1.00 11.11 O ATOM 875 CB GLN A 59 -8.530 -11.700 -5.675 1.00 33.24 C ATOM 876 CG GLN A 59 -8.666 -11.832 -4.166 1.00 2.50 C ATOM 877 CD GLN A 59 -10.028 -12.338 -3.725 1.00 1.52 C ATOM 878 OE1 GLN A 59 -11.067 -12.001 -4.476 1.00 1.12 O flip ATOM 879 NE2 GLN A 59 -10.147 -13.019 -2.705 1.00 10.43 N flip ATOM 0 H GLN A 59 -6.172 -11.971 -4.450 1.00 31.42 H new ATOM 0 HA GLN A 59 -7.081 -11.366 -7.206 1.00 12.43 H new ATOM 0 HB2 GLN A 59 -9.294 -11.014 -6.041 1.00 33.24 H new ATOM 0 HB3 GLN A 59 -8.725 -12.669 -6.134 1.00 33.24 H new ATOM 0 HG2 GLN A 59 -7.897 -12.511 -3.797 1.00 2.50 H new ATOM 0 HG3 GLN A 59 -8.481 -10.861 -3.706 1.00 2.50 H new ATOM 0 HE21 GLN A 59 -9.324 -13.258 -2.153 1.00 10.43 H new ATOM 0 HE22 GLN A 59 -11.069 -13.343 -2.413 1.00 10.43 H new ATOM 888 N ALA A 60 -6.965 -8.920 -6.914 1.00 64.41 N ATOM 889 CA ALA A 60 -6.788 -7.486 -6.769 1.00 44.35 C ATOM 890 C ALA A 60 -8.095 -6.818 -6.368 1.00 12.13 C ATOM 891 O ALA A 60 -9.082 -6.871 -7.102 1.00 44.12 O ATOM 892 CB ALA A 60 -6.249 -6.881 -8.055 1.00 30.03 C ATOM 0 H ALA A 60 -7.064 -9.242 -7.877 1.00 64.41 H new ATOM 0 HA ALA A 60 -6.061 -7.311 -5.976 1.00 44.35 H new ATOM 0 HB1 ALA A 60 -6.123 -5.806 -7.927 1.00 30.03 H new ATOM 0 HB2 ALA A 60 -5.286 -7.333 -8.294 1.00 30.03 H new ATOM 0 HB3 ALA A 60 -6.950 -7.070 -8.868 1.00 30.03 H new ATOM 898 N ALA A 61 -8.098 -6.206 -5.194 1.00 20.32 N ATOM 899 CA ALA A 61 -9.263 -5.499 -4.694 1.00 22.34 C ATOM 900 C ALA A 61 -8.990 -4.002 -4.677 1.00 62.35 C ATOM 901 O ALA A 61 -7.974 -3.562 -4.139 1.00 3.13 O ATOM 902 CB ALA A 61 -9.628 -5.992 -3.301 1.00 63.13 C ATOM 0 H ALA A 61 -7.296 -6.186 -4.564 1.00 20.32 H new ATOM 0 HA ALA A 61 -10.107 -5.695 -5.356 1.00 22.34 H new ATOM 0 HB1 ALA A 61 -10.503 -5.451 -2.941 1.00 63.13 H new ATOM 0 HB2 ALA A 61 -9.850 -7.058 -3.339 1.00 63.13 H new ATOM 0 HB3 ALA A 61 -8.792 -5.820 -2.623 1.00 63.13 H new ATOM 908 N ASN A 62 -9.901 -3.233 -5.271 1.00 10.44 N ATOM 909 CA ASN A 62 -9.741 -1.784 -5.401 1.00 44.23 C ATOM 910 C ASN A 62 -8.537 -1.452 -6.273 1.00 61.45 C ATOM 911 O ASN A 62 -7.393 -1.444 -5.808 1.00 43.14 O ATOM 912 CB ASN A 62 -9.612 -1.098 -4.033 1.00 3.44 C ATOM 913 CG ASN A 62 -10.900 -1.150 -3.235 1.00 71.43 C ATOM 914 OD1 ASN A 62 -11.754 -0.275 -3.358 1.00 31.20 O ATOM 915 ND2 ASN A 62 -11.040 -2.164 -2.393 1.00 23.32 N ATOM 0 H ASN A 62 -10.766 -3.593 -5.674 1.00 10.44 H new ATOM 0 HA ASN A 62 -10.642 -1.401 -5.880 1.00 44.23 H new ATOM 0 HB2 ASN A 62 -8.816 -1.577 -3.463 1.00 3.44 H new ATOM 0 HB3 ASN A 62 -9.319 -0.058 -4.178 1.00 3.44 H new ATOM 0 HD21 ASN A 62 -11.880 -2.238 -1.818 1.00 23.32 H new ATOM 0 HD22 ASN A 62 -10.308 -2.871 -2.320 1.00 23.32 H new ATOM 922 N VAL A 63 -8.802 -1.207 -7.548 1.00 21.34 N ATOM 923 CA VAL A 63 -7.754 -0.871 -8.495 1.00 24.20 C ATOM 924 C VAL A 63 -7.867 0.584 -8.931 1.00 63.40 C ATOM 925 O VAL A 63 -8.770 0.950 -9.684 1.00 15.11 O ATOM 926 CB VAL A 63 -7.805 -1.780 -9.742 1.00 21.11 C ATOM 927 CG1 VAL A 63 -6.663 -1.461 -10.697 1.00 20.12 C ATOM 928 CG2 VAL A 63 -7.770 -3.246 -9.341 1.00 65.11 C ATOM 0 H VAL A 63 -9.739 -1.235 -7.950 1.00 21.34 H new ATOM 0 HA VAL A 63 -6.802 -1.026 -7.988 1.00 24.20 H new ATOM 0 HB VAL A 63 -8.745 -1.586 -10.260 1.00 21.11 H new ATOM 0 HG11 VAL A 63 -6.722 -2.115 -11.567 1.00 20.12 H new ATOM 0 HG12 VAL A 63 -6.737 -0.422 -11.019 1.00 20.12 H new ATOM 0 HG13 VAL A 63 -5.711 -1.617 -10.190 1.00 20.12 H new ATOM 0 HG21 VAL A 63 -7.807 -3.869 -10.235 1.00 65.11 H new ATOM 0 HG22 VAL A 63 -6.850 -3.452 -8.793 1.00 65.11 H new ATOM 0 HG23 VAL A 63 -8.628 -3.470 -8.707 1.00 65.11 H new ATOM 938 N GLN A 64 -6.952 1.407 -8.444 1.00 61.22 N ATOM 939 CA GLN A 64 -6.900 2.812 -8.811 1.00 51.52 C ATOM 940 C GLN A 64 -5.783 3.013 -9.837 1.00 22.45 C ATOM 941 O GLN A 64 -4.979 2.111 -10.065 1.00 62.15 O ATOM 942 CB GLN A 64 -6.655 3.671 -7.562 1.00 54.40 C ATOM 943 CG GLN A 64 -6.839 5.164 -7.786 1.00 1.14 C ATOM 944 CD GLN A 64 -6.498 5.982 -6.556 1.00 54.35 C ATOM 945 OE1 GLN A 64 -5.351 6.383 -6.365 1.00 32.33 O ATOM 946 NE2 GLN A 64 -7.489 6.242 -5.720 1.00 75.12 N ATOM 0 H GLN A 64 -6.227 1.121 -7.786 1.00 61.22 H new ATOM 0 HA GLN A 64 -7.849 3.119 -9.250 1.00 51.52 H new ATOM 0 HB2 GLN A 64 -7.334 3.347 -6.773 1.00 54.40 H new ATOM 0 HB3 GLN A 64 -5.641 3.491 -7.204 1.00 54.40 H new ATOM 0 HG2 GLN A 64 -6.210 5.484 -8.617 1.00 1.14 H new ATOM 0 HG3 GLN A 64 -7.872 5.360 -8.074 1.00 1.14 H new ATOM 0 HE21 GLN A 64 -8.426 5.891 -5.915 1.00 75.12 H new ATOM 0 HE22 GLN A 64 -7.316 6.794 -4.880 1.00 75.12 H new ATOM 955 N LYS A 65 -5.734 4.178 -10.467 1.00 5.52 N ATOM 956 CA LYS A 65 -4.716 4.449 -11.473 1.00 31.11 C ATOM 957 C LYS A 65 -3.630 5.356 -10.908 1.00 41.54 C ATOM 958 O LYS A 65 -3.863 6.101 -9.953 1.00 74.44 O ATOM 959 CB LYS A 65 -5.338 5.085 -12.719 1.00 32.32 C ATOM 960 CG LYS A 65 -6.301 4.170 -13.459 1.00 24.41 C ATOM 961 CD LYS A 65 -6.863 4.837 -14.703 1.00 2.22 C ATOM 962 CE LYS A 65 -7.680 6.067 -14.357 1.00 23.25 C ATOM 963 NZ LYS A 65 -8.205 6.737 -15.571 1.00 40.32 N ATOM 0 H LYS A 65 -6.383 4.947 -10.301 1.00 5.52 H new ATOM 0 HA LYS A 65 -4.264 3.499 -11.758 1.00 31.11 H new ATOM 0 HB2 LYS A 65 -5.866 5.993 -12.427 1.00 32.32 H new ATOM 0 HB3 LYS A 65 -4.541 5.384 -13.399 1.00 32.32 H new ATOM 0 HG2 LYS A 65 -5.787 3.250 -13.739 1.00 24.41 H new ATOM 0 HG3 LYS A 65 -7.119 3.889 -12.796 1.00 24.41 H new ATOM 0 HD2 LYS A 65 -6.045 5.118 -15.367 1.00 2.22 H new ATOM 0 HD3 LYS A 65 -7.486 4.127 -15.247 1.00 2.22 H new ATOM 0 HE2 LYS A 65 -8.510 5.782 -13.711 1.00 23.25 H new ATOM 0 HE3 LYS A 65 -7.063 6.767 -13.793 1.00 23.25 H new ATOM 0 HZ1 LYS A 65 -8.758 7.573 -15.294 1.00 40.32 H new ATOM 0 HZ2 LYS A 65 -7.412 7.031 -16.176 1.00 40.32 H new ATOM 0 HZ3 LYS A 65 -8.814 6.077 -16.096 1.00 40.32 H new ATOM 977 N ALA A 66 -2.443 5.273 -11.493 1.00 23.53 N ATOM 978 CA ALA A 66 -1.331 6.115 -11.089 1.00 35.22 C ATOM 979 C ALA A 66 -1.321 7.390 -11.921 1.00 70.24 C ATOM 980 O ALA A 66 -0.728 7.383 -13.022 1.00 61.14 O ATOM 981 CB ALA A 66 -0.014 5.364 -11.237 1.00 71.30 C ATOM 982 OXT ALA A 66 -1.931 8.387 -11.488 1.00 0.00 O ATOM 0 H ALA A 66 -2.227 4.627 -12.252 1.00 23.53 H new ATOM 0 HA ALA A 66 -1.451 6.383 -10.039 1.00 35.22 H new ATOM 0 HB1 ALA A 66 0.809 6.009 -10.930 1.00 71.30 H new ATOM 0 HB2 ALA A 66 -0.031 4.473 -10.609 1.00 71.30 H new ATOM 0 HB3 ALA A 66 0.123 5.071 -12.278 1.00 71.30 H new