USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 503 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 1 GLY N :NH3+ -134:sc= 0.00692 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00567 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 16:sc= 0.75 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.19) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.065) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 29 SER OG : rot -6:sc= 0.985 USER MOD Single : A 32 GLN : amide:sc= -11.3! C(o=-11!,f=-16!) USER MOD Single : A 34 GLN : amide:sc= -0.0693 K(o=-0.069,f=-1.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.37 K(o=-1.4,f=-1.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -3.83 K(o=-3.8,f=-9.5!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0829 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.085 23.151 33.998 1.00 0.00 N ATOM 2 CA GLY A 1 15.327 23.406 34.708 1.00 0.00 C ATOM 3 C GLY A 1 15.731 24.878 34.596 1.00 0.00 C ATOM 4 O GLY A 1 14.889 25.767 34.717 1.00 0.00 O ATOM 0 H1 GLY A 1 13.455 22.579 34.596 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.622 24.055 33.772 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.288 22.636 33.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.212 23.136 35.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.118 22.776 34.301 1.00 0.00 H new ATOM 8 N SER A 2 17.019 25.089 34.368 1.00 0.00 N ATOM 9 CA SER A 2 17.544 26.438 34.239 1.00 0.00 C ATOM 10 C SER A 2 17.532 26.866 32.770 1.00 0.00 C ATOM 11 O SER A 2 17.286 26.049 31.884 1.00 0.00 O ATOM 12 CB SER A 2 18.961 26.534 34.808 1.00 0.00 C ATOM 13 OG SER A 2 19.161 27.739 35.541 1.00 0.00 O ATOM 0 H SER A 2 17.714 24.349 34.269 1.00 0.00 H new ATOM 0 HA SER A 2 16.905 27.110 34.812 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.150 25.679 35.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.683 26.481 33.993 1.00 0.00 H new ATOM 0 HG SER A 2 20.077 27.762 35.889 1.00 0.00 H new ATOM 19 N SER A 3 17.800 28.146 32.558 1.00 0.00 N ATOM 20 CA SER A 3 17.823 28.692 31.211 1.00 0.00 C ATOM 21 C SER A 3 19.255 28.702 30.675 1.00 0.00 C ATOM 22 O SER A 3 19.636 29.600 29.926 1.00 0.00 O ATOM 23 CB SER A 3 17.235 30.105 31.180 1.00 0.00 C ATOM 24 OG SER A 3 18.131 31.068 31.730 1.00 0.00 O ATOM 0 H SER A 3 18.003 28.821 33.296 1.00 0.00 H new ATOM 0 HA SER A 3 17.208 28.057 30.574 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.998 30.376 30.151 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.299 30.121 31.738 1.00 0.00 H new ATOM 0 HG SER A 3 17.720 31.957 31.691 1.00 0.00 H new ATOM 30 N GLY A 4 20.011 27.691 31.078 1.00 0.00 N ATOM 31 CA GLY A 4 21.393 27.571 30.647 1.00 0.00 C ATOM 32 C GLY A 4 22.188 28.831 30.997 1.00 0.00 C ATOM 33 O GLY A 4 22.167 29.809 30.251 1.00 0.00 O ATOM 0 H GLY A 4 19.692 26.947 31.699 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.852 26.704 31.122 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.429 27.401 29.571 1.00 0.00 H new ATOM 37 N SER A 5 22.869 28.767 32.131 1.00 0.00 N ATOM 38 CA SER A 5 23.669 29.891 32.588 1.00 0.00 C ATOM 39 C SER A 5 25.067 29.411 32.985 1.00 0.00 C ATOM 40 O SER A 5 25.281 28.981 34.117 1.00 0.00 O ATOM 41 CB SER A 5 22.998 30.601 33.766 1.00 0.00 C ATOM 42 OG SER A 5 21.865 31.362 33.355 1.00 0.00 O ATOM 0 H SER A 5 22.884 27.954 32.747 1.00 0.00 H new ATOM 0 HA SER A 5 23.755 30.605 31.769 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.690 29.863 34.506 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.719 31.258 34.252 1.00 0.00 H new ATOM 0 HG SER A 5 21.464 31.798 34.135 1.00 0.00 H new ATOM 48 N SER A 6 25.981 29.501 32.030 1.00 0.00 N ATOM 49 CA SER A 6 27.352 29.082 32.266 1.00 0.00 C ATOM 50 C SER A 6 28.284 29.742 31.247 1.00 0.00 C ATOM 51 O SER A 6 29.217 30.450 31.621 1.00 0.00 O ATOM 52 CB SER A 6 27.482 27.559 32.195 1.00 0.00 C ATOM 53 OG SER A 6 26.917 26.921 33.337 1.00 0.00 O ATOM 0 H SER A 6 25.799 29.858 31.092 1.00 0.00 H new ATOM 0 HA SER A 6 27.638 29.398 33.269 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.988 27.195 31.295 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.535 27.288 32.112 1.00 0.00 H new ATOM 0 HG SER A 6 26.342 27.555 33.814 1.00 0.00 H new ATOM 59 N GLY A 7 27.998 29.486 29.979 1.00 0.00 N ATOM 60 CA GLY A 7 28.798 30.046 28.903 1.00 0.00 C ATOM 61 C GLY A 7 29.992 29.145 28.581 1.00 0.00 C ATOM 62 O GLY A 7 31.125 29.457 28.940 1.00 0.00 O ATOM 0 H GLY A 7 27.223 28.898 29.672 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.181 30.170 28.013 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.152 31.037 29.186 1.00 0.00 H new ATOM 66 N SER A 8 29.695 28.043 27.906 1.00 0.00 N ATOM 67 CA SER A 8 30.729 27.094 27.531 1.00 0.00 C ATOM 68 C SER A 8 30.165 26.067 26.547 1.00 0.00 C ATOM 69 O SER A 8 28.974 25.760 26.580 1.00 0.00 O ATOM 70 CB SER A 8 31.303 26.390 28.762 1.00 0.00 C ATOM 71 OG SER A 8 30.387 25.449 29.314 1.00 0.00 O ATOM 0 H SER A 8 28.753 27.787 27.610 1.00 0.00 H new ATOM 0 HA SER A 8 31.538 27.643 27.049 1.00 0.00 H new ATOM 0 HB2 SER A 8 32.227 25.880 28.490 1.00 0.00 H new ATOM 0 HB3 SER A 8 31.559 27.133 29.518 1.00 0.00 H new ATOM 0 HG SER A 8 30.791 25.020 30.097 1.00 0.00 H new ATOM 77 N ARG A 9 31.047 25.565 25.695 1.00 0.00 N ATOM 78 CA ARG A 9 30.651 24.579 24.703 1.00 0.00 C ATOM 79 C ARG A 9 30.021 23.364 25.386 1.00 0.00 C ATOM 80 O ARG A 9 30.342 23.055 26.532 1.00 0.00 O ATOM 81 CB ARG A 9 31.851 24.123 23.871 1.00 0.00 C ATOM 82 CG ARG A 9 32.890 23.419 24.747 1.00 0.00 C ATOM 83 CD ARG A 9 34.133 24.290 24.932 1.00 0.00 C ATOM 84 NE ARG A 9 34.970 24.243 23.712 1.00 0.00 N ATOM 85 CZ ARG A 9 35.935 25.129 23.428 1.00 0.00 C ATOM 86 NH1 ARG A 9 36.191 26.135 24.275 1.00 0.00 N ATOM 87 NH2 ARG A 9 36.644 25.009 22.298 1.00 0.00 N ATOM 0 H ARG A 9 32.034 25.822 25.671 1.00 0.00 H new ATOM 0 HA ARG A 9 29.922 25.047 24.042 1.00 0.00 H new ATOM 0 HB2 ARG A 9 31.516 23.448 23.083 1.00 0.00 H new ATOM 0 HB3 ARG A 9 32.306 24.984 23.381 1.00 0.00 H new ATOM 0 HG2 ARG A 9 32.455 23.189 25.720 1.00 0.00 H new ATOM 0 HG3 ARG A 9 33.172 22.470 24.291 1.00 0.00 H new ATOM 0 HD2 ARG A 9 33.839 25.318 25.142 1.00 0.00 H new ATOM 0 HD3 ARG A 9 34.707 23.941 25.791 1.00 0.00 H new ATOM 0 HE ARG A 9 34.802 23.489 23.046 1.00 0.00 H new ATOM 0 HH11 ARG A 9 35.652 26.227 25.136 1.00 0.00 H new ATOM 0 HH12 ARG A 9 36.925 26.809 24.059 1.00 0.00 H new ATOM 0 HH21 ARG A 9 36.450 24.243 21.653 1.00 0.00 H new ATOM 0 HH22 ARG A 9 37.378 25.684 22.082 1.00 0.00 H new ATOM 101 N GLN A 10 29.135 22.706 24.651 1.00 0.00 N ATOM 102 CA GLN A 10 28.457 21.531 25.171 1.00 0.00 C ATOM 103 C GLN A 10 27.947 20.660 24.021 1.00 0.00 C ATOM 104 O GLN A 10 26.764 20.327 23.968 1.00 0.00 O ATOM 105 CB GLN A 10 27.314 21.927 26.108 1.00 0.00 C ATOM 106 CG GLN A 10 26.318 22.847 25.399 1.00 0.00 C ATOM 107 CD GLN A 10 24.919 22.708 26.003 1.00 0.00 C ATOM 108 OE1 GLN A 10 24.375 21.623 26.131 1.00 0.00 O ATOM 109 NE2 GLN A 10 24.369 23.863 26.365 1.00 0.00 N ATOM 0 H GLN A 10 28.872 22.965 23.700 1.00 0.00 H new ATOM 0 HA GLN A 10 29.173 20.949 25.751 1.00 0.00 H new ATOM 0 HB2 GLN A 10 26.801 21.032 26.460 1.00 0.00 H new ATOM 0 HB3 GLN A 10 27.717 22.430 26.987 1.00 0.00 H new ATOM 0 HG2 GLN A 10 26.652 23.881 25.480 1.00 0.00 H new ATOM 0 HG3 GLN A 10 26.285 22.604 24.337 1.00 0.00 H new ATOM 0 HE21 GLN A 10 24.880 24.736 26.230 1.00 0.00 H new ATOM 0 HE22 GLN A 10 23.436 23.877 26.778 1.00 0.00 H new ATOM 118 N ALA A 11 28.864 20.317 23.129 1.00 0.00 N ATOM 119 CA ALA A 11 28.521 19.492 21.983 1.00 0.00 C ATOM 120 C ALA A 11 29.377 18.223 22.000 1.00 0.00 C ATOM 121 O ALA A 11 30.594 18.289 21.838 1.00 0.00 O ATOM 122 CB ALA A 11 28.704 20.301 20.698 1.00 0.00 C ATOM 0 H ALA A 11 29.844 20.595 23.176 1.00 0.00 H new ATOM 0 HA ALA A 11 27.476 19.186 22.029 1.00 0.00 H new ATOM 0 HB1 ALA A 11 28.447 19.682 19.839 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.054 21.176 20.723 1.00 0.00 H new ATOM 0 HB3 ALA A 11 29.742 20.623 20.615 1.00 0.00 H new ATOM 128 N PRO A 12 28.688 17.068 22.203 1.00 0.00 N ATOM 129 CA PRO A 12 29.372 15.787 22.242 1.00 0.00 C ATOM 130 C PRO A 12 29.779 15.338 20.837 1.00 0.00 C ATOM 131 O PRO A 12 29.308 14.312 20.348 1.00 0.00 O ATOM 132 CB PRO A 12 28.389 14.837 22.907 1.00 0.00 C ATOM 133 CG PRO A 12 27.026 15.501 22.794 1.00 0.00 C ATOM 134 CD PRO A 12 27.246 16.952 22.398 1.00 0.00 C ATOM 0 HA PRO A 12 30.308 15.827 22.800 1.00 0.00 H new ATOM 0 HB2 PRO A 12 28.392 13.865 22.415 1.00 0.00 H new ATOM 0 HB3 PRO A 12 28.655 14.667 23.950 1.00 0.00 H new ATOM 0 HG2 PRO A 12 26.413 14.991 22.051 1.00 0.00 H new ATOM 0 HG3 PRO A 12 26.492 15.441 23.742 1.00 0.00 H new ATOM 0 HD2 PRO A 12 26.702 17.201 21.487 1.00 0.00 H new ATOM 0 HD3 PRO A 12 26.895 17.632 23.174 1.00 0.00 H new ATOM 142 N ILE A 13 30.649 16.129 20.227 1.00 0.00 N ATOM 143 CA ILE A 13 31.125 15.827 18.888 1.00 0.00 C ATOM 144 C ILE A 13 32.409 15.000 18.982 1.00 0.00 C ATOM 145 O ILE A 13 33.459 15.519 19.357 1.00 0.00 O ATOM 146 CB ILE A 13 31.278 17.111 18.071 1.00 0.00 C ATOM 147 CG1 ILE A 13 29.921 17.778 17.837 1.00 0.00 C ATOM 148 CG2 ILE A 13 32.019 16.842 16.760 1.00 0.00 C ATOM 149 CD1 ILE A 13 30.051 19.302 17.845 1.00 0.00 C ATOM 0 H ILE A 13 31.037 16.979 20.636 1.00 0.00 H new ATOM 0 HA ILE A 13 30.394 15.221 18.352 1.00 0.00 H new ATOM 0 HB ILE A 13 31.885 17.811 18.646 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.510 17.449 16.882 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.220 17.465 18.611 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.114 17.771 16.199 1.00 0.00 H new ATOM 0 HG22 ILE A 13 33.011 16.446 16.977 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.460 16.116 16.169 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.072 19.752 17.677 1.00 0.00 H new ATOM 0 HD12 ILE A 13 30.439 19.629 18.810 1.00 0.00 H new ATOM 0 HD13 ILE A 13 30.734 19.613 17.055 1.00 0.00 H new ATOM 161 N ALA A 14 32.282 13.728 18.635 1.00 0.00 N ATOM 162 CA ALA A 14 33.420 12.825 18.676 1.00 0.00 C ATOM 163 C ALA A 14 33.157 11.639 17.745 1.00 0.00 C ATOM 164 O ALA A 14 34.032 11.244 16.975 1.00 0.00 O ATOM 165 CB ALA A 14 33.673 12.387 20.120 1.00 0.00 C ATOM 0 H ALA A 14 31.409 13.301 18.324 1.00 0.00 H new ATOM 0 HA ALA A 14 34.322 13.327 18.325 1.00 0.00 H new ATOM 0 HB1 ALA A 14 34.527 11.710 20.151 1.00 0.00 H new ATOM 0 HB2 ALA A 14 33.882 13.263 20.734 1.00 0.00 H new ATOM 0 HB3 ALA A 14 32.791 11.876 20.505 1.00 0.00 H new ATOM 171 N ASN A 15 31.950 11.104 17.847 1.00 0.00 N ATOM 172 CA ASN A 15 31.561 9.971 17.024 1.00 0.00 C ATOM 173 C ASN A 15 30.442 10.398 16.071 1.00 0.00 C ATOM 174 O ASN A 15 29.416 10.918 16.507 1.00 0.00 O ATOM 175 CB ASN A 15 31.036 8.820 17.883 1.00 0.00 C ATOM 176 CG ASN A 15 32.033 7.659 17.912 1.00 0.00 C ATOM 177 OD1 ASN A 15 32.297 7.009 16.915 1.00 0.00 O ATOM 178 ND2 ASN A 15 32.568 7.436 19.109 1.00 0.00 N ATOM 0 H ASN A 15 31.228 11.434 18.487 1.00 0.00 H new ATOM 0 HA ASN A 15 32.440 9.638 16.473 1.00 0.00 H new ATOM 0 HB2 ASN A 15 30.853 9.173 18.898 1.00 0.00 H new ATOM 0 HB3 ASN A 15 30.080 8.474 17.489 1.00 0.00 H new ATOM 0 HD21 ASN A 15 33.244 6.682 19.233 1.00 0.00 H new ATOM 0 HD22 ASN A 15 32.302 8.019 19.903 1.00 0.00 H new ATOM 185 N ALA A 16 30.678 10.163 14.789 1.00 0.00 N ATOM 186 CA ALA A 16 29.703 10.517 13.771 1.00 0.00 C ATOM 187 C ALA A 16 29.258 9.251 13.036 1.00 0.00 C ATOM 188 O ALA A 16 29.975 8.746 12.173 1.00 0.00 O ATOM 189 CB ALA A 16 30.306 11.559 12.827 1.00 0.00 C ATOM 0 H ALA A 16 31.530 9.732 14.431 1.00 0.00 H new ATOM 0 HA ALA A 16 28.818 10.963 14.225 1.00 0.00 H new ATOM 0 HB1 ALA A 16 29.575 11.825 12.063 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.578 12.449 13.394 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.195 11.147 12.350 1.00 0.00 H new ATOM 195 N ALA A 17 28.077 8.775 13.404 1.00 0.00 N ATOM 196 CA ALA A 17 27.528 7.579 12.790 1.00 0.00 C ATOM 197 C ALA A 17 26.250 7.941 12.030 1.00 0.00 C ATOM 198 O ALA A 17 25.315 8.491 12.609 1.00 0.00 O ATOM 199 CB ALA A 17 27.287 6.517 13.865 1.00 0.00 C ATOM 0 H ALA A 17 27.485 9.197 14.120 1.00 0.00 H new ATOM 0 HA ALA A 17 28.231 7.160 12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 17 26.875 5.619 13.404 1.00 0.00 H new ATOM 0 HB2 ALA A 17 28.230 6.273 14.354 1.00 0.00 H new ATOM 0 HB3 ALA A 17 26.584 6.901 14.604 1.00 0.00 H new ATOM 205 N VAL A 18 26.251 7.617 10.746 1.00 0.00 N ATOM 206 CA VAL A 18 25.104 7.901 9.901 1.00 0.00 C ATOM 207 C VAL A 18 24.706 6.632 9.145 1.00 0.00 C ATOM 208 O VAL A 18 24.861 6.557 7.927 1.00 0.00 O ATOM 209 CB VAL A 18 25.415 9.077 8.974 1.00 0.00 C ATOM 210 CG1 VAL A 18 25.730 10.341 9.777 1.00 0.00 C ATOM 211 CG2 VAL A 18 26.560 8.735 8.019 1.00 0.00 C ATOM 0 H VAL A 18 27.029 7.160 10.270 1.00 0.00 H new ATOM 0 HA VAL A 18 24.248 8.200 10.507 1.00 0.00 H new ATOM 0 HB VAL A 18 24.526 9.274 8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 18 25.947 11.162 9.093 1.00 0.00 H new ATOM 0 HG12 VAL A 18 24.872 10.602 10.396 1.00 0.00 H new ATOM 0 HG13 VAL A 18 26.596 10.161 10.414 1.00 0.00 H new ATOM 0 HG21 VAL A 18 26.761 9.588 7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 18 27.455 8.498 8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 18 26.281 7.875 7.410 1.00 0.00 H new ATOM 221 N LEU A 19 24.201 5.666 9.898 1.00 0.00 N ATOM 222 CA LEU A 19 23.780 4.404 9.314 1.00 0.00 C ATOM 223 C LEU A 19 22.340 4.107 9.736 1.00 0.00 C ATOM 224 O LEU A 19 21.928 4.458 10.840 1.00 0.00 O ATOM 225 CB LEU A 19 24.768 3.292 9.672 1.00 0.00 C ATOM 226 CG LEU A 19 24.966 3.026 11.165 1.00 0.00 C ATOM 227 CD1 LEU A 19 24.028 1.920 11.654 1.00 0.00 C ATOM 228 CD2 LEU A 19 26.431 2.714 11.477 1.00 0.00 C ATOM 0 H LEU A 19 24.074 5.732 10.908 1.00 0.00 H new ATOM 0 HA LEU A 19 23.787 4.466 8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 19 24.432 2.369 9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 19 25.736 3.539 9.236 1.00 0.00 H new ATOM 0 HG LEU A 19 24.707 3.933 11.711 1.00 0.00 H new ATOM 0 HD11 LEU A 19 24.189 1.751 12.719 1.00 0.00 H new ATOM 0 HD12 LEU A 19 22.994 2.220 11.487 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.232 1.001 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.544 2.529 12.545 1.00 0.00 H new ATOM 0 HD22 LEU A 19 26.741 1.830 10.921 1.00 0.00 H new ATOM 0 HD23 LEU A 19 27.053 3.561 11.188 1.00 0.00 H new ATOM 240 N PRO A 20 21.594 3.446 8.810 1.00 0.00 N ATOM 241 CA PRO A 20 20.209 3.098 9.075 1.00 0.00 C ATOM 242 C PRO A 20 20.116 1.917 10.043 1.00 0.00 C ATOM 243 O PRO A 20 20.987 1.049 10.055 1.00 0.00 O ATOM 244 CB PRO A 20 19.611 2.796 7.711 1.00 0.00 C ATOM 245 CG PRO A 20 20.790 2.533 6.788 1.00 0.00 C ATOM 246 CD PRO A 20 22.048 3.015 7.491 1.00 0.00 C ATOM 0 HA PRO A 20 19.660 3.901 9.567 1.00 0.00 H new ATOM 0 HB2 PRO A 20 18.950 1.930 7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 20 19.013 3.634 7.352 1.00 0.00 H new ATOM 0 HG2 PRO A 20 20.865 1.470 6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 20 20.658 3.056 5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 20 22.788 2.219 7.568 1.00 0.00 H new ATOM 0 HD3 PRO A 20 22.517 3.835 6.946 1.00 0.00 H new ATOM 254 N GLN A 21 19.051 1.922 10.832 1.00 0.00 N ATOM 255 CA GLN A 21 18.833 0.862 11.802 1.00 0.00 C ATOM 256 C GLN A 21 17.376 0.398 11.763 1.00 0.00 C ATOM 257 O GLN A 21 16.511 1.100 11.239 1.00 0.00 O ATOM 258 CB GLN A 21 19.227 1.316 13.209 1.00 0.00 C ATOM 259 CG GLN A 21 20.743 1.485 13.326 1.00 0.00 C ATOM 260 CD GLN A 21 21.094 2.695 14.195 1.00 0.00 C ATOM 261 OE1 GLN A 21 20.744 3.826 13.900 1.00 0.00 O ATOM 262 NE2 GLN A 21 21.802 2.394 15.280 1.00 0.00 N ATOM 0 H GLN A 21 18.330 2.643 10.819 1.00 0.00 H new ATOM 0 HA GLN A 21 19.470 0.018 11.537 1.00 0.00 H new ATOM 0 HB2 GLN A 21 18.733 2.259 13.442 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.881 0.586 13.941 1.00 0.00 H new ATOM 0 HG2 GLN A 21 21.181 0.584 13.756 1.00 0.00 H new ATOM 0 HG3 GLN A 21 21.177 1.607 12.333 1.00 0.00 H new ATOM 0 HE21 GLN A 21 22.062 1.426 15.467 1.00 0.00 H new ATOM 0 HE22 GLN A 21 22.085 3.132 15.925 1.00 0.00 H new ATOM 271 N SER A 22 17.147 -0.780 12.324 1.00 0.00 N ATOM 272 CA SER A 22 15.809 -1.345 12.360 1.00 0.00 C ATOM 273 C SER A 22 15.761 -2.513 13.347 1.00 0.00 C ATOM 274 O SER A 22 16.780 -3.147 13.615 1.00 0.00 O ATOM 275 CB SER A 22 15.369 -1.807 10.970 1.00 0.00 C ATOM 276 OG SER A 22 16.370 -2.590 10.325 1.00 0.00 O ATOM 0 H SER A 22 17.866 -1.359 12.758 1.00 0.00 H new ATOM 0 HA SER A 22 15.119 -0.569 12.691 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.452 -2.390 11.055 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.138 -0.937 10.355 1.00 0.00 H new ATOM 0 HG SER A 22 16.050 -2.867 9.441 1.00 0.00 H new ATOM 282 N GLN A 23 14.566 -2.762 13.862 1.00 0.00 N ATOM 283 CA GLN A 23 14.371 -3.842 14.814 1.00 0.00 C ATOM 284 C GLN A 23 12.899 -3.930 15.224 1.00 0.00 C ATOM 285 O GLN A 23 12.172 -2.941 15.154 1.00 0.00 O ATOM 286 CB GLN A 23 15.271 -3.663 16.039 1.00 0.00 C ATOM 287 CG GLN A 23 16.064 -4.939 16.328 1.00 0.00 C ATOM 288 CD GLN A 23 17.320 -4.630 17.144 1.00 0.00 C ATOM 289 OE1 GLN A 23 17.446 -3.590 17.769 1.00 0.00 O ATOM 290 NE2 GLN A 23 18.240 -5.590 17.105 1.00 0.00 N ATOM 0 H GLN A 23 13.723 -2.234 13.638 1.00 0.00 H new ATOM 0 HA GLN A 23 14.650 -4.779 14.332 1.00 0.00 H new ATOM 0 HB2 GLN A 23 15.958 -2.834 15.872 1.00 0.00 H new ATOM 0 HB3 GLN A 23 14.664 -3.404 16.906 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.437 -5.646 16.872 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.344 -5.418 15.390 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.071 -6.437 16.562 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.114 -5.480 17.618 1.00 0.00 H new ATOM 299 N GLY A 24 12.505 -5.124 15.642 1.00 0.00 N ATOM 300 CA GLY A 24 11.133 -5.354 16.062 1.00 0.00 C ATOM 301 C GLY A 24 10.380 -6.203 15.036 1.00 0.00 C ATOM 302 O GLY A 24 10.345 -5.867 13.853 1.00 0.00 O ATOM 0 H GLY A 24 13.112 -5.942 15.699 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.124 -5.855 17.030 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.624 -4.399 16.193 1.00 0.00 H new ATOM 306 N ARG A 25 9.797 -7.287 15.526 1.00 0.00 N ATOM 307 CA ARG A 25 9.046 -8.186 14.666 1.00 0.00 C ATOM 308 C ARG A 25 9.899 -8.611 13.469 1.00 0.00 C ATOM 309 O ARG A 25 11.039 -8.171 13.327 1.00 0.00 O ATOM 310 CB ARG A 25 7.764 -7.523 14.161 1.00 0.00 C ATOM 311 CG ARG A 25 6.542 -8.396 14.455 1.00 0.00 C ATOM 312 CD ARG A 25 5.283 -7.541 14.610 1.00 0.00 C ATOM 313 NE ARG A 25 4.622 -7.843 15.899 1.00 0.00 N ATOM 314 CZ ARG A 25 5.052 -7.395 17.087 1.00 0.00 C ATOM 315 NH1 ARG A 25 6.145 -6.623 17.156 1.00 0.00 N ATOM 316 NH2 ARG A 25 4.389 -7.719 18.205 1.00 0.00 N ATOM 0 H ARG A 25 9.829 -7.563 16.507 1.00 0.00 H new ATOM 0 HA ARG A 25 8.779 -9.063 15.256 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.643 -6.549 14.636 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.840 -7.347 13.088 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.401 -9.115 13.648 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.711 -8.970 15.366 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.544 -6.484 14.564 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.597 -7.736 13.786 1.00 0.00 H new ATOM 0 HE ARG A 25 3.787 -8.429 15.883 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.650 -6.376 16.305 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.472 -6.282 18.060 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.557 -8.307 18.152 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.716 -7.378 19.109 1.00 0.00 H new ATOM 330 N VAL A 26 9.314 -9.461 12.638 1.00 0.00 N ATOM 331 CA VAL A 26 10.006 -9.950 11.458 1.00 0.00 C ATOM 332 C VAL A 26 9.328 -9.390 10.206 1.00 0.00 C ATOM 333 O VAL A 26 8.146 -9.051 10.235 1.00 0.00 O ATOM 334 CB VAL A 26 10.058 -11.479 11.477 1.00 0.00 C ATOM 335 CG1 VAL A 26 10.853 -12.015 10.285 1.00 0.00 C ATOM 336 CG2 VAL A 26 10.635 -11.992 12.797 1.00 0.00 C ATOM 0 H VAL A 26 8.368 -9.824 12.759 1.00 0.00 H new ATOM 0 HA VAL A 26 11.039 -9.604 11.451 1.00 0.00 H new ATOM 0 HB VAL A 26 9.037 -11.850 11.392 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.875 -13.104 10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.380 -11.693 9.357 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.872 -11.630 10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.661 -13.082 12.784 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.646 -11.607 12.926 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.010 -11.654 13.623 1.00 0.00 H new ATOM 346 N ALA A 27 10.106 -9.309 9.136 1.00 0.00 N ATOM 347 CA ALA A 27 9.595 -8.796 7.876 1.00 0.00 C ATOM 348 C ALA A 27 9.379 -7.286 7.996 1.00 0.00 C ATOM 349 O ALA A 27 10.125 -6.501 7.413 1.00 0.00 O ATOM 350 CB ALA A 27 8.312 -9.541 7.504 1.00 0.00 C ATOM 0 H ALA A 27 11.086 -9.590 9.116 1.00 0.00 H new ATOM 0 HA ALA A 27 10.313 -8.964 7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.929 -9.156 6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.526 -10.605 7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.566 -9.393 8.285 1.00 0.00 H new ATOM 356 N ALA A 28 8.355 -6.926 8.756 1.00 0.00 N ATOM 357 CA ALA A 28 8.032 -5.524 8.959 1.00 0.00 C ATOM 358 C ALA A 28 9.326 -4.723 9.115 1.00 0.00 C ATOM 359 O ALA A 28 9.977 -4.785 10.157 1.00 0.00 O ATOM 360 CB ALA A 28 7.110 -5.383 10.172 1.00 0.00 C ATOM 0 H ALA A 28 7.739 -7.580 9.238 1.00 0.00 H new ATOM 0 HA ALA A 28 7.500 -5.125 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.868 -4.331 10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.193 -5.945 9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.612 -5.772 11.058 1.00 0.00 H new ATOM 366 N SER A 29 9.662 -3.991 8.063 1.00 0.00 N ATOM 367 CA SER A 29 10.867 -3.179 8.071 1.00 0.00 C ATOM 368 C SER A 29 10.498 -1.695 8.112 1.00 0.00 C ATOM 369 O SER A 29 9.693 -1.229 7.307 1.00 0.00 O ATOM 370 CB SER A 29 11.738 -3.476 6.848 1.00 0.00 C ATOM 371 OG SER A 29 11.766 -4.866 6.537 1.00 0.00 O ATOM 0 H SER A 29 9.121 -3.943 7.200 1.00 0.00 H new ATOM 0 HA SER A 29 11.442 -3.428 8.963 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.360 -2.920 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.753 -3.125 7.032 1.00 0.00 H new ATOM 0 HG SER A 29 11.298 -5.367 7.237 1.00 0.00 H new ATOM 377 N GLU A 30 11.105 -0.993 9.057 1.00 0.00 N ATOM 378 CA GLU A 30 10.851 0.429 9.214 1.00 0.00 C ATOM 379 C GLU A 30 10.709 1.097 7.845 1.00 0.00 C ATOM 380 O GLU A 30 9.746 1.822 7.601 1.00 0.00 O ATOM 381 CB GLU A 30 11.954 1.096 10.037 1.00 0.00 C ATOM 382 CG GLU A 30 11.383 2.206 10.923 1.00 0.00 C ATOM 383 CD GLU A 30 12.317 3.417 10.956 1.00 0.00 C ATOM 384 OE1 GLU A 30 12.242 4.218 9.999 1.00 0.00 O ATOM 385 OE2 GLU A 30 13.086 3.514 11.937 1.00 0.00 O ATOM 0 H GLU A 30 11.773 -1.383 9.722 1.00 0.00 H new ATOM 0 HA GLU A 30 9.914 0.553 9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.451 0.350 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.710 1.511 9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.404 2.507 10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.235 1.829 11.935 1.00 0.00 H new ATOM 392 N GLU A 31 11.682 0.828 6.987 1.00 0.00 N ATOM 393 CA GLU A 31 11.677 1.393 5.648 1.00 0.00 C ATOM 394 C GLU A 31 10.275 1.308 5.041 1.00 0.00 C ATOM 395 O GLU A 31 9.793 2.272 4.447 1.00 0.00 O ATOM 396 CB GLU A 31 12.705 0.696 4.755 1.00 0.00 C ATOM 397 CG GLU A 31 13.413 1.702 3.845 1.00 0.00 C ATOM 398 CD GLU A 31 12.680 1.844 2.510 1.00 0.00 C ATOM 399 OE1 GLU A 31 12.152 0.813 2.040 1.00 0.00 O ATOM 400 OE2 GLU A 31 12.664 2.981 1.990 1.00 0.00 O ATOM 0 H GLU A 31 12.479 0.226 7.193 1.00 0.00 H new ATOM 0 HA GLU A 31 11.958 2.444 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.439 0.180 5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.210 -0.063 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.465 2.672 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.439 1.379 3.668 1.00 0.00 H new ATOM 407 N GLN A 32 9.661 0.147 5.211 1.00 0.00 N ATOM 408 CA GLN A 32 8.324 -0.076 4.687 1.00 0.00 C ATOM 409 C GLN A 32 7.292 0.678 5.527 1.00 0.00 C ATOM 410 O GLN A 32 6.542 1.501 5.005 1.00 0.00 O ATOM 411 CB GLN A 32 8.000 -1.570 4.630 1.00 0.00 C ATOM 412 CG GLN A 32 9.156 -2.360 4.013 1.00 0.00 C ATOM 413 CD GLN A 32 9.470 -1.860 2.601 1.00 0.00 C ATOM 414 OE1 GLN A 32 9.779 -0.701 2.379 1.00 0.00 O ATOM 415 NE2 GLN A 32 9.373 -2.797 1.662 1.00 0.00 N ATOM 0 H GLN A 32 10.064 -0.650 5.704 1.00 0.00 H new ATOM 0 HA GLN A 32 8.285 0.310 3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.798 -1.940 5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.094 -1.727 4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.042 -2.266 4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.900 -3.419 3.979 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.109 -3.749 1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.562 -2.564 0.687 1.00 0.00 H new ATOM 424 N ILE A 33 7.287 0.369 6.816 1.00 0.00 N ATOM 425 CA ILE A 33 6.359 1.008 7.734 1.00 0.00 C ATOM 426 C ILE A 33 6.256 2.496 7.396 1.00 0.00 C ATOM 427 O ILE A 33 5.158 3.048 7.335 1.00 0.00 O ATOM 428 CB ILE A 33 6.765 0.733 9.183 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.557 -0.740 9.541 1.00 0.00 C ATOM 430 CG2 ILE A 33 6.027 1.666 10.146 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.822 -1.337 10.162 1.00 0.00 C ATOM 0 H ILE A 33 7.910 -0.315 7.246 1.00 0.00 H new ATOM 0 HA ILE A 33 5.360 0.586 7.621 1.00 0.00 H new ATOM 0 HB ILE A 33 7.830 0.942 9.284 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.725 -0.834 10.239 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.287 -1.301 8.646 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.334 1.449 11.169 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.269 2.701 9.906 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.952 1.512 10.049 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.647 -2.385 10.407 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.646 -1.263 9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.075 -0.789 11.070 1.00 0.00 H new ATOM 443 N GLN A 34 7.414 3.104 7.185 1.00 0.00 N ATOM 444 CA GLN A 34 7.468 4.518 6.854 1.00 0.00 C ATOM 445 C GLN A 34 6.943 4.752 5.436 1.00 0.00 C ATOM 446 O GLN A 34 6.192 5.696 5.197 1.00 0.00 O ATOM 447 CB GLN A 34 8.889 5.063 7.010 1.00 0.00 C ATOM 448 CG GLN A 34 9.340 5.008 8.471 1.00 0.00 C ATOM 449 CD GLN A 34 8.750 6.171 9.271 1.00 0.00 C ATOM 450 OE1 GLN A 34 8.268 7.151 8.728 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.815 6.008 10.590 1.00 0.00 N ATOM 0 H GLN A 34 8.323 2.643 7.237 1.00 0.00 H new ATOM 0 HA GLN A 34 6.828 5.059 7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.575 4.483 6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.929 6.092 6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.030 4.062 8.916 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.428 5.043 8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.232 5.162 10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.448 6.729 11.212 1.00 0.00 H new ATOM 460 N LYS A 35 7.360 3.876 4.533 1.00 0.00 N ATOM 461 CA LYS A 35 6.941 3.976 3.146 1.00 0.00 C ATOM 462 C LYS A 35 5.414 3.926 3.074 1.00 0.00 C ATOM 463 O LYS A 35 4.805 4.605 2.248 1.00 0.00 O ATOM 464 CB LYS A 35 7.632 2.904 2.299 1.00 0.00 C ATOM 465 CG LYS A 35 8.579 3.538 1.278 1.00 0.00 C ATOM 466 CD LYS A 35 8.808 2.603 0.089 1.00 0.00 C ATOM 467 CE LYS A 35 10.257 2.114 0.047 1.00 0.00 C ATOM 468 NZ LYS A 35 11.055 2.939 -0.887 1.00 0.00 N ATOM 0 H LYS A 35 7.983 3.094 4.735 1.00 0.00 H new ATOM 0 HA LYS A 35 7.249 4.932 2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.190 2.227 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.882 2.305 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.163 4.482 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.532 3.767 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.134 1.749 0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.569 3.123 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.692 2.161 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.286 1.070 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.036 2.594 -0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.649 2.874 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.042 3.930 -0.573 1.00 0.00 H new ATOM 482 N LEU A 36 4.838 3.116 3.949 1.00 0.00 N ATOM 483 CA LEU A 36 3.393 2.969 3.995 1.00 0.00 C ATOM 484 C LEU A 36 2.800 4.069 4.879 1.00 0.00 C ATOM 485 O LEU A 36 1.883 4.776 4.465 1.00 0.00 O ATOM 486 CB LEU A 36 3.012 1.555 4.436 1.00 0.00 C ATOM 487 CG LEU A 36 3.485 0.418 3.528 1.00 0.00 C ATOM 488 CD1 LEU A 36 2.953 -0.931 4.014 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.111 0.690 2.069 1.00 0.00 C ATOM 0 H LEU A 36 5.346 2.554 4.632 1.00 0.00 H new ATOM 0 HA LEU A 36 2.966 3.094 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.414 1.387 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.926 1.501 4.516 1.00 0.00 H new ATOM 0 HG LEU A 36 4.573 0.371 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.304 -1.721 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.312 -1.120 5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.863 -0.914 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.459 -0.133 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.028 0.780 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.579 1.618 1.740 1.00 0.00 H new ATOM 501 N VAL A 37 3.349 4.179 6.080 1.00 0.00 N ATOM 502 CA VAL A 37 2.887 5.181 7.025 1.00 0.00 C ATOM 503 C VAL A 37 2.869 6.550 6.343 1.00 0.00 C ATOM 504 O VAL A 37 2.005 7.378 6.627 1.00 0.00 O ATOM 505 CB VAL A 37 3.755 5.152 8.285 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.554 6.419 9.118 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.473 3.899 9.116 1.00 0.00 C ATOM 0 H VAL A 37 4.110 3.591 6.420 1.00 0.00 H new ATOM 0 HA VAL A 37 1.868 4.964 7.344 1.00 0.00 H new ATOM 0 HB VAL A 37 4.799 5.119 7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.182 6.373 10.008 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.828 7.292 8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.508 6.497 9.416 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.103 3.903 10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.425 3.888 9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.690 3.012 8.522 1.00 0.00 H new ATOM 517 N ALA A 38 3.834 6.746 5.456 1.00 0.00 N ATOM 518 CA ALA A 38 3.940 8.001 4.731 1.00 0.00 C ATOM 519 C ALA A 38 2.754 8.133 3.773 1.00 0.00 C ATOM 520 O ALA A 38 2.244 9.232 3.559 1.00 0.00 O ATOM 521 CB ALA A 38 5.285 8.059 4.004 1.00 0.00 C ATOM 0 H ALA A 38 4.549 6.057 5.223 1.00 0.00 H new ATOM 0 HA ALA A 38 3.904 8.846 5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.364 9.000 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.095 7.990 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.356 7.228 3.302 1.00 0.00 H new ATOM 527 N MET A 39 2.349 6.998 3.222 1.00 0.00 N ATOM 528 CA MET A 39 1.233 6.974 2.293 1.00 0.00 C ATOM 529 C MET A 39 -0.084 7.282 3.008 1.00 0.00 C ATOM 530 O MET A 39 -1.025 7.785 2.396 1.00 0.00 O ATOM 531 CB MET A 39 1.146 5.595 1.636 1.00 0.00 C ATOM 532 CG MET A 39 2.353 5.342 0.730 1.00 0.00 C ATOM 533 SD MET A 39 1.810 5.069 -0.948 1.00 0.00 S ATOM 534 CE MET A 39 3.232 4.209 -1.598 1.00 0.00 C ATOM 0 H MET A 39 2.774 6.088 3.401 1.00 0.00 H new ATOM 0 HA MET A 39 1.400 7.739 1.535 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.096 4.824 2.405 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.228 5.523 1.053 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.031 6.195 0.767 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.910 4.476 1.086 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.060 3.961 -2.645 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.112 4.847 -1.516 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.394 3.293 -1.030 1.00 0.00 H new ATOM 544 N GLY A 40 -0.108 6.969 4.296 1.00 0.00 N ATOM 545 CA GLY A 40 -1.294 7.207 5.101 1.00 0.00 C ATOM 546 C GLY A 40 -1.833 5.898 5.682 1.00 0.00 C ATOM 547 O GLY A 40 -3.031 5.627 5.604 1.00 0.00 O ATOM 0 H GLY A 40 0.674 6.553 4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.056 7.898 5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.062 7.682 4.491 1.00 0.00 H new ATOM 551 N PHE A 41 -0.924 5.121 6.252 1.00 0.00 N ATOM 552 CA PHE A 41 -1.293 3.848 6.846 1.00 0.00 C ATOM 553 C PHE A 41 -0.778 3.742 8.283 1.00 0.00 C ATOM 554 O PHE A 41 0.212 4.380 8.639 1.00 0.00 O ATOM 555 CB PHE A 41 -0.639 2.753 6.000 1.00 0.00 C ATOM 556 CG PHE A 41 -1.306 2.536 4.640 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.651 2.350 4.564 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.553 2.527 3.508 1.00 0.00 C ATOM 559 CE1 PHE A 41 -3.269 2.148 3.302 1.00 0.00 C ATOM 560 CE2 PHE A 41 -1.172 2.325 2.246 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.517 2.140 2.169 1.00 0.00 C ATOM 0 H PHE A 41 0.068 5.349 6.315 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.378 3.750 6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.409 3.007 5.843 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.660 1.816 6.557 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.249 2.356 5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.515 2.673 3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.337 2.001 3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.574 2.318 1.347 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.987 1.987 1.209 1.00 0.00 H new ATOM 571 N ASP A 42 -1.471 2.932 9.068 1.00 0.00 N ATOM 572 CA ASP A 42 -1.096 2.735 10.458 1.00 0.00 C ATOM 573 C ASP A 42 0.056 1.731 10.533 1.00 0.00 C ATOM 574 O ASP A 42 -0.004 0.665 9.924 1.00 0.00 O ATOM 575 CB ASP A 42 -2.265 2.174 11.270 1.00 0.00 C ATOM 576 CG ASP A 42 -2.340 2.662 12.718 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.378 2.377 13.464 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.358 3.310 13.047 1.00 0.00 O ATOM 0 H ASP A 42 -2.291 2.404 8.768 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.803 3.701 10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.196 2.434 10.766 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.197 1.086 11.272 1.00 0.00 H new ATOM 583 N ARG A 43 1.080 2.109 11.286 1.00 0.00 N ATOM 584 CA ARG A 43 2.244 1.255 11.448 1.00 0.00 C ATOM 585 C ARG A 43 1.818 -0.211 11.548 1.00 0.00 C ATOM 586 O ARG A 43 2.351 -1.065 10.841 1.00 0.00 O ATOM 587 CB ARG A 43 3.035 1.636 12.702 1.00 0.00 C ATOM 588 CG ARG A 43 4.326 0.821 12.804 1.00 0.00 C ATOM 589 CD ARG A 43 5.461 1.663 13.389 1.00 0.00 C ATOM 590 NE ARG A 43 6.677 0.834 13.547 1.00 0.00 N ATOM 591 CZ ARG A 43 7.894 1.328 13.813 1.00 0.00 C ATOM 592 NH1 ARG A 43 8.064 2.650 13.952 1.00 0.00 N ATOM 593 NH2 ARG A 43 8.940 0.501 13.940 1.00 0.00 N ATOM 0 H ARG A 43 1.127 2.995 11.790 1.00 0.00 H new ATOM 0 HA ARG A 43 2.881 1.392 10.574 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.273 2.699 12.677 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.423 1.467 13.588 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.159 -0.055 13.430 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.610 0.458 11.816 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.671 2.510 12.736 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.162 2.072 14.354 1.00 0.00 H new ATOM 0 HE ARG A 43 6.583 -0.177 13.447 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.267 3.280 13.855 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.990 3.027 14.154 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.810 -0.505 13.834 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.866 0.877 14.142 1.00 0.00 H new ATOM 607 N THR A 44 0.861 -0.457 12.430 1.00 0.00 N ATOM 608 CA THR A 44 0.357 -1.805 12.631 1.00 0.00 C ATOM 609 C THR A 44 -0.127 -2.396 11.306 1.00 0.00 C ATOM 610 O THR A 44 0.354 -3.444 10.877 1.00 0.00 O ATOM 611 CB THR A 44 -0.731 -1.748 13.705 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.043 -1.315 14.875 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.261 -3.135 14.076 1.00 0.00 C ATOM 0 H THR A 44 0.421 0.254 13.014 1.00 0.00 H new ATOM 0 HA THR A 44 1.144 -2.474 12.981 1.00 0.00 H new ATOM 0 HB THR A 44 -1.555 -1.127 13.354 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.675 -1.249 15.621 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.031 -3.038 14.842 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.687 -3.610 13.192 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.444 -3.746 14.459 1.00 0.00 H new ATOM 621 N GLN A 45 -1.072 -1.699 10.693 1.00 0.00 N ATOM 622 CA GLN A 45 -1.627 -2.142 9.425 1.00 0.00 C ATOM 623 C GLN A 45 -0.505 -2.570 8.476 1.00 0.00 C ATOM 624 O GLN A 45 -0.656 -3.534 7.727 1.00 0.00 O ATOM 625 CB GLN A 45 -2.492 -1.049 8.794 1.00 0.00 C ATOM 626 CG GLN A 45 -3.683 -0.707 9.691 1.00 0.00 C ATOM 627 CD GLN A 45 -5.002 -0.843 8.928 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.443 0.058 8.232 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.606 -2.016 9.095 1.00 0.00 N ATOM 0 H GLN A 45 -1.468 -0.830 11.051 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.268 -3.004 9.611 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.890 -0.156 8.626 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.850 -1.381 7.819 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.691 -1.367 10.558 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.579 0.311 10.066 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.183 -2.727 9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.492 -2.205 8.627 1.00 0.00 H new ATOM 638 N VAL A 46 0.593 -1.832 8.539 1.00 0.00 N ATOM 639 CA VAL A 46 1.739 -2.123 7.694 1.00 0.00 C ATOM 640 C VAL A 46 2.355 -3.457 8.120 1.00 0.00 C ATOM 641 O VAL A 46 2.537 -4.352 7.297 1.00 0.00 O ATOM 642 CB VAL A 46 2.734 -0.962 7.744 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.909 -1.205 6.794 1.00 0.00 C ATOM 644 CG2 VAL A 46 2.043 0.367 7.433 1.00 0.00 C ATOM 0 H VAL A 46 0.714 -1.033 9.162 1.00 0.00 H new ATOM 0 HA VAL A 46 1.431 -2.225 6.653 1.00 0.00 H new ATOM 0 HB VAL A 46 3.130 -0.904 8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.601 -0.365 6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.426 -2.121 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.538 -1.303 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.773 1.175 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.606 0.325 6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.257 0.549 8.166 1.00 0.00 H new ATOM 654 N GLU A 47 2.660 -3.548 9.407 1.00 0.00 N ATOM 655 CA GLU A 47 3.251 -4.758 9.952 1.00 0.00 C ATOM 656 C GLU A 47 2.330 -5.955 9.710 1.00 0.00 C ATOM 657 O GLU A 47 2.748 -6.958 9.134 1.00 0.00 O ATOM 658 CB GLU A 47 3.559 -4.595 11.442 1.00 0.00 C ATOM 659 CG GLU A 47 4.578 -3.477 11.672 1.00 0.00 C ATOM 660 CD GLU A 47 5.294 -3.656 13.013 1.00 0.00 C ATOM 661 OE1 GLU A 47 5.933 -4.718 13.178 1.00 0.00 O ATOM 662 OE2 GLU A 47 5.186 -2.727 13.842 1.00 0.00 O ATOM 0 H GLU A 47 2.509 -2.803 10.087 1.00 0.00 H new ATOM 0 HA GLU A 47 4.194 -4.941 9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.640 -4.372 11.985 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.946 -5.532 11.842 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.309 -3.474 10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.074 -2.511 11.651 1.00 0.00 H new ATOM 669 N VAL A 48 1.093 -5.810 10.163 1.00 0.00 N ATOM 670 CA VAL A 48 0.109 -6.867 10.003 1.00 0.00 C ATOM 671 C VAL A 48 0.157 -7.390 8.565 1.00 0.00 C ATOM 672 O VAL A 48 0.286 -8.592 8.342 1.00 0.00 O ATOM 673 CB VAL A 48 -1.276 -6.359 10.408 1.00 0.00 C ATOM 674 CG1 VAL A 48 -2.354 -7.399 10.098 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.304 -5.964 11.886 1.00 0.00 C ATOM 0 H VAL A 48 0.750 -4.977 10.641 1.00 0.00 H new ATOM 0 HA VAL A 48 0.339 -7.705 10.662 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.492 -5.468 9.819 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.329 -7.013 10.396 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.359 -7.611 9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.144 -8.316 10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.300 -5.606 12.148 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.057 -6.831 12.499 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.576 -5.173 12.065 1.00 0.00 H new ATOM 685 N ALA A 49 0.051 -6.459 7.628 1.00 0.00 N ATOM 686 CA ALA A 49 0.081 -6.811 6.218 1.00 0.00 C ATOM 687 C ALA A 49 1.466 -7.354 5.862 1.00 0.00 C ATOM 688 O ALA A 49 1.600 -8.510 5.464 1.00 0.00 O ATOM 689 CB ALA A 49 -0.300 -5.590 5.379 1.00 0.00 C ATOM 0 H ALA A 49 -0.056 -5.462 7.817 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.646 -7.594 6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.278 -5.854 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.303 -5.261 5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.409 -4.784 5.567 1.00 0.00 H new ATOM 695 N LEU A 50 2.462 -6.494 6.016 1.00 0.00 N ATOM 696 CA LEU A 50 3.832 -6.873 5.716 1.00 0.00 C ATOM 697 C LEU A 50 4.070 -8.313 6.172 1.00 0.00 C ATOM 698 O LEU A 50 4.855 -9.039 5.564 1.00 0.00 O ATOM 699 CB LEU A 50 4.812 -5.866 6.321 1.00 0.00 C ATOM 700 CG LEU A 50 5.141 -4.647 5.457 1.00 0.00 C ATOM 701 CD1 LEU A 50 5.738 -3.520 6.303 1.00 0.00 C ATOM 702 CD2 LEU A 50 6.052 -5.032 4.290 1.00 0.00 C ATOM 0 H LEU A 50 2.347 -5.535 6.345 1.00 0.00 H new ATOM 0 HA LEU A 50 4.007 -6.846 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.403 -5.515 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.742 -6.386 6.549 1.00 0.00 H new ATOM 0 HG LEU A 50 4.212 -4.271 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.963 -2.666 5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.022 -3.222 7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.655 -3.869 6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.270 -4.147 3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.983 -5.448 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.553 -5.776 3.669 1.00 0.00 H new ATOM 714 N ALA A 51 3.378 -8.684 7.239 1.00 0.00 N ATOM 715 CA ALA A 51 3.504 -10.025 7.784 1.00 0.00 C ATOM 716 C ALA A 51 2.949 -11.035 6.778 1.00 0.00 C ATOM 717 O ALA A 51 3.648 -11.961 6.372 1.00 0.00 O ATOM 718 CB ALA A 51 2.790 -10.096 9.136 1.00 0.00 C ATOM 0 H ALA A 51 2.728 -8.079 7.741 1.00 0.00 H new ATOM 0 HA ALA A 51 4.552 -10.272 7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.884 -11.102 9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.241 -9.381 9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.735 -9.856 9.003 1.00 0.00 H new ATOM 724 N ALA A 52 1.695 -10.821 6.404 1.00 0.00 N ATOM 725 CA ALA A 52 1.038 -11.701 5.453 1.00 0.00 C ATOM 726 C ALA A 52 1.683 -11.529 4.076 1.00 0.00 C ATOM 727 O ALA A 52 1.651 -12.443 3.253 1.00 0.00 O ATOM 728 CB ALA A 52 -0.463 -11.403 5.435 1.00 0.00 C ATOM 0 H ALA A 52 1.118 -10.051 6.743 1.00 0.00 H new ATOM 0 HA ALA A 52 1.160 -12.744 5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.956 -12.063 4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.879 -11.568 6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.625 -10.366 5.141 1.00 0.00 H new ATOM 734 N ALA A 53 2.254 -10.352 3.868 1.00 0.00 N ATOM 735 CA ALA A 53 2.905 -10.049 2.605 1.00 0.00 C ATOM 736 C ALA A 53 4.228 -10.814 2.522 1.00 0.00 C ATOM 737 O ALA A 53 4.688 -11.149 1.432 1.00 0.00 O ATOM 738 CB ALA A 53 3.098 -8.536 2.480 1.00 0.00 C ATOM 0 H ALA A 53 2.279 -9.597 4.553 1.00 0.00 H new ATOM 0 HA ALA A 53 2.285 -10.369 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.586 -8.309 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.127 -8.041 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.718 -8.179 3.303 1.00 0.00 H new ATOM 744 N ASP A 54 4.803 -11.066 3.689 1.00 0.00 N ATOM 745 CA ASP A 54 6.063 -11.785 3.762 1.00 0.00 C ATOM 746 C ASP A 54 7.215 -10.814 3.494 1.00 0.00 C ATOM 747 O ASP A 54 8.199 -11.176 2.851 1.00 0.00 O ATOM 748 CB ASP A 54 6.126 -12.895 2.711 1.00 0.00 C ATOM 749 CG ASP A 54 6.859 -14.163 3.152 1.00 0.00 C ATOM 750 OD1 ASP A 54 8.038 -14.029 3.545 1.00 0.00 O ATOM 751 OD2 ASP A 54 6.224 -15.238 3.087 1.00 0.00 O ATOM 0 H ASP A 54 4.419 -10.785 4.591 1.00 0.00 H new ATOM 0 HA ASP A 54 6.143 -12.225 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.109 -13.162 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.615 -12.503 1.819 1.00 0.00 H new ATOM 756 N ASP A 55 7.054 -9.601 4.002 1.00 0.00 N ATOM 757 CA ASP A 55 8.069 -8.576 3.826 1.00 0.00 C ATOM 758 C ASP A 55 7.988 -8.024 2.401 1.00 0.00 C ATOM 759 O ASP A 55 8.981 -7.538 1.862 1.00 0.00 O ATOM 760 CB ASP A 55 9.473 -9.148 4.032 1.00 0.00 C ATOM 761 CG ASP A 55 10.539 -8.123 4.422 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.179 -6.927 4.487 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.689 -8.557 4.646 1.00 0.00 O ATOM 0 H ASP A 55 6.236 -9.305 4.535 1.00 0.00 H new ATOM 0 HA ASP A 55 7.888 -7.793 4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.427 -9.914 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.786 -9.643 3.112 1.00 0.00 H new ATOM 768 N ASP A 56 6.795 -8.117 1.831 1.00 0.00 N ATOM 769 CA ASP A 56 6.572 -7.633 0.479 1.00 0.00 C ATOM 770 C ASP A 56 5.713 -6.368 0.531 1.00 0.00 C ATOM 771 O ASP A 56 4.524 -6.433 0.838 1.00 0.00 O ATOM 772 CB ASP A 56 5.831 -8.674 -0.363 1.00 0.00 C ATOM 773 CG ASP A 56 5.984 -8.508 -1.876 1.00 0.00 C ATOM 774 OD1 ASP A 56 5.864 -7.352 -2.335 1.00 0.00 O ATOM 775 OD2 ASP A 56 6.217 -9.542 -2.539 1.00 0.00 O ATOM 0 H ASP A 56 5.973 -8.520 2.281 1.00 0.00 H new ATOM 0 HA ASP A 56 7.543 -7.430 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.187 -9.666 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.771 -8.634 -0.113 1.00 0.00 H new ATOM 780 N LEU A 57 6.349 -5.247 0.225 1.00 0.00 N ATOM 781 CA LEU A 57 5.657 -3.969 0.232 1.00 0.00 C ATOM 782 C LEU A 57 4.568 -3.977 -0.842 1.00 0.00 C ATOM 783 O LEU A 57 3.400 -3.727 -0.549 1.00 0.00 O ATOM 784 CB LEU A 57 6.656 -2.819 0.087 1.00 0.00 C ATOM 785 CG LEU A 57 6.639 -1.771 1.201 1.00 0.00 C ATOM 786 CD1 LEU A 57 7.559 -0.596 0.863 1.00 0.00 C ATOM 787 CD2 LEU A 57 5.211 -1.313 1.502 1.00 0.00 C ATOM 0 H LEU A 57 7.336 -5.197 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 57 5.159 -3.810 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.659 -3.241 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.465 -2.316 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 57 7.027 -2.232 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.528 0.134 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.580 -0.957 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.225 -0.127 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.228 -0.568 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.772 -0.876 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.614 -2.168 1.818 1.00 0.00 H new ATOM 799 N THR A 58 4.989 -4.266 -2.065 1.00 0.00 N ATOM 800 CA THR A 58 4.064 -4.310 -3.184 1.00 0.00 C ATOM 801 C THR A 58 2.759 -4.993 -2.771 1.00 0.00 C ATOM 802 O THR A 58 1.680 -4.423 -2.925 1.00 0.00 O ATOM 803 CB THR A 58 4.768 -5.003 -4.353 1.00 0.00 C ATOM 804 OG1 THR A 58 5.600 -3.987 -4.908 1.00 0.00 O ATOM 805 CG2 THR A 58 3.806 -5.358 -5.488 1.00 0.00 C ATOM 0 H THR A 58 5.959 -4.472 -2.305 1.00 0.00 H new ATOM 0 HA THR A 58 3.783 -3.307 -3.503 1.00 0.00 H new ATOM 0 HB THR A 58 5.258 -5.909 -3.996 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.095 -4.351 -5.672 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.356 -5.847 -6.292 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.035 -6.031 -5.114 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.340 -4.449 -5.868 1.00 0.00 H new ATOM 813 N VAL A 59 2.900 -6.204 -2.253 1.00 0.00 N ATOM 814 CA VAL A 59 1.745 -6.971 -1.816 1.00 0.00 C ATOM 815 C VAL A 59 1.099 -6.273 -0.618 1.00 0.00 C ATOM 816 O VAL A 59 -0.097 -5.984 -0.634 1.00 0.00 O ATOM 817 CB VAL A 59 2.158 -8.413 -1.517 1.00 0.00 C ATOM 818 CG1 VAL A 59 0.951 -9.250 -1.086 1.00 0.00 C ATOM 819 CG2 VAL A 59 2.861 -9.044 -2.720 1.00 0.00 C ATOM 0 H VAL A 59 3.797 -6.674 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 59 0.996 -7.019 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 59 2.866 -8.393 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.271 -10.271 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.511 -8.819 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.209 -9.257 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.144 -10.069 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.187 -9.045 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.754 -8.469 -2.962 1.00 0.00 H new ATOM 829 N ALA A 60 1.918 -6.022 0.393 1.00 0.00 N ATOM 830 CA ALA A 60 1.441 -5.364 1.597 1.00 0.00 C ATOM 831 C ALA A 60 0.541 -4.189 1.208 1.00 0.00 C ATOM 832 O ALA A 60 -0.611 -4.117 1.633 1.00 0.00 O ATOM 833 CB ALA A 60 2.635 -4.928 2.448 1.00 0.00 C ATOM 0 H ALA A 60 2.909 -6.263 0.403 1.00 0.00 H new ATOM 0 HA ALA A 60 0.845 -6.050 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.277 -4.434 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.225 -5.802 2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.255 -4.236 1.878 1.00 0.00 H new ATOM 839 N VAL A 61 1.102 -3.296 0.405 1.00 0.00 N ATOM 840 CA VAL A 61 0.365 -2.128 -0.045 1.00 0.00 C ATOM 841 C VAL A 61 -1.058 -2.543 -0.424 1.00 0.00 C ATOM 842 O VAL A 61 -2.027 -1.959 0.058 1.00 0.00 O ATOM 843 CB VAL A 61 1.115 -1.447 -1.192 1.00 0.00 C ATOM 844 CG1 VAL A 61 0.302 -0.283 -1.763 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.500 -0.980 -0.741 1.00 0.00 C ATOM 0 H VAL A 61 2.058 -3.358 0.055 1.00 0.00 H new ATOM 0 HA VAL A 61 0.286 -1.393 0.756 1.00 0.00 H new ATOM 0 HB VAL A 61 1.252 -2.181 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.857 0.184 -2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.651 -0.655 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.120 0.452 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.011 -0.500 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.395 -0.269 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.082 -1.838 -0.404 1.00 0.00 H new ATOM 855 N GLU A 62 -1.138 -3.547 -1.284 1.00 0.00 N ATOM 856 CA GLU A 62 -2.427 -4.047 -1.733 1.00 0.00 C ATOM 857 C GLU A 62 -3.322 -4.360 -0.533 1.00 0.00 C ATOM 858 O GLU A 62 -4.524 -4.103 -0.567 1.00 0.00 O ATOM 859 CB GLU A 62 -2.256 -5.278 -2.626 1.00 0.00 C ATOM 860 CG GLU A 62 -1.463 -4.934 -3.888 1.00 0.00 C ATOM 861 CD GLU A 62 -2.337 -4.188 -4.899 1.00 0.00 C ATOM 862 OE1 GLU A 62 -3.368 -4.772 -5.298 1.00 0.00 O ATOM 863 OE2 GLU A 62 -1.955 -3.050 -5.249 1.00 0.00 O ATOM 0 H GLU A 62 -0.332 -4.028 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.909 -3.271 -2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.743 -6.064 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.235 -5.670 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.601 -4.321 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.077 -5.848 -4.340 1.00 0.00 H new ATOM 870 N ILE A 63 -2.702 -4.911 0.500 1.00 0.00 N ATOM 871 CA ILE A 63 -3.427 -5.262 1.709 1.00 0.00 C ATOM 872 C ILE A 63 -3.854 -3.983 2.432 1.00 0.00 C ATOM 873 O ILE A 63 -5.013 -3.841 2.819 1.00 0.00 O ATOM 874 CB ILE A 63 -2.598 -6.211 2.576 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.503 -7.598 1.935 1.00 0.00 C ATOM 876 CG2 ILE A 63 -3.149 -6.276 4.001 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.322 -8.386 2.506 1.00 0.00 C ATOM 0 H ILE A 63 -1.705 -5.123 0.525 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.337 -5.808 1.461 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.584 -5.815 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.429 -8.147 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.390 -7.497 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.541 -6.958 4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.121 -5.282 4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.178 -6.635 3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.277 -9.367 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.396 -7.846 2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.451 -8.506 3.582 1.00 0.00 H new ATOM 889 N LEU A 64 -2.893 -3.085 2.593 1.00 0.00 N ATOM 890 CA LEU A 64 -3.155 -1.822 3.264 1.00 0.00 C ATOM 891 C LEU A 64 -4.314 -1.109 2.564 1.00 0.00 C ATOM 892 O LEU A 64 -5.229 -0.614 3.220 1.00 0.00 O ATOM 893 CB LEU A 64 -1.877 -0.984 3.345 1.00 0.00 C ATOM 894 CG LEU A 64 -0.857 -1.419 4.399 1.00 0.00 C ATOM 895 CD1 LEU A 64 -1.027 -0.618 5.691 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.932 -2.927 4.646 1.00 0.00 C ATOM 0 H LEU A 64 -1.933 -3.206 2.271 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.462 -1.995 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.392 -1.002 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.156 0.051 3.543 1.00 0.00 H new ATOM 0 HG LEU A 64 0.141 -1.205 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.290 -0.947 6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.884 0.442 5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.029 -0.777 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.197 -3.209 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.930 -3.189 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.723 -3.459 3.718 1.00 0.00 H new ATOM 908 N MET A 65 -4.237 -1.080 1.242 1.00 0.00 N ATOM 909 CA MET A 65 -5.268 -0.435 0.447 1.00 0.00 C ATOM 910 C MET A 65 -6.662 -0.893 0.881 1.00 0.00 C ATOM 911 O MET A 65 -7.526 -0.069 1.176 1.00 0.00 O ATOM 912 CB MET A 65 -5.058 -0.771 -1.031 1.00 0.00 C ATOM 913 CG MET A 65 -3.940 0.081 -1.634 1.00 0.00 C ATOM 914 SD MET A 65 -4.473 0.779 -3.188 1.00 0.00 S ATOM 915 CE MET A 65 -3.221 2.031 -3.412 1.00 0.00 C ATOM 0 H MET A 65 -3.477 -1.493 0.701 1.00 0.00 H new ATOM 0 HA MET A 65 -5.196 0.642 0.598 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.812 -1.828 -1.136 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.984 -0.604 -1.581 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.666 0.878 -0.943 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.049 -0.528 -1.786 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.405 2.567 -4.343 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.254 2.732 -2.578 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.239 1.560 -3.452 1.00 0.00 H new ATOM 925 N SER A 66 -6.837 -2.206 0.907 1.00 0.00 N ATOM 926 CA SER A 66 -8.111 -2.783 1.301 1.00 0.00 C ATOM 927 C SER A 66 -8.586 -2.157 2.614 1.00 0.00 C ATOM 928 O SER A 66 -9.639 -1.523 2.658 1.00 0.00 O ATOM 929 CB SER A 66 -8.006 -4.303 1.446 1.00 0.00 C ATOM 930 OG SER A 66 -8.854 -4.986 0.527 1.00 0.00 O ATOM 0 H SER A 66 -6.118 -2.887 0.662 1.00 0.00 H new ATOM 0 HA SER A 66 -8.839 -2.569 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.973 -4.612 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.269 -4.589 2.464 1.00 0.00 H new ATOM 0 HG SER A 66 -8.757 -5.953 0.650 1.00 0.00 H new ATOM 936 N GLN A 67 -7.787 -2.357 3.651 1.00 0.00 N ATOM 937 CA GLN A 67 -8.112 -1.820 4.961 1.00 0.00 C ATOM 938 C GLN A 67 -8.710 -0.418 4.827 1.00 0.00 C ATOM 939 O GLN A 67 -9.793 -0.149 5.344 1.00 0.00 O ATOM 940 CB GLN A 67 -6.881 -1.806 5.870 1.00 0.00 C ATOM 941 CG GLN A 67 -6.420 -3.229 6.191 1.00 0.00 C ATOM 942 CD GLN A 67 -4.934 -3.256 6.552 1.00 0.00 C ATOM 943 OE1 GLN A 67 -4.201 -2.302 6.346 1.00 0.00 O ATOM 944 NE2 GLN A 67 -4.531 -4.399 7.100 1.00 0.00 N ATOM 0 H GLN A 67 -6.915 -2.884 3.611 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.856 -2.469 5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.073 -1.259 5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.113 -1.278 6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.006 -3.627 7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.601 -3.876 5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.197 -5.158 7.244 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.556 -4.516 7.376 1.00 0.00 H new ATOM 953 N SER A 68 -7.979 0.438 4.129 1.00 0.00 N ATOM 954 CA SER A 68 -8.423 1.805 3.919 1.00 0.00 C ATOM 955 C SER A 68 -9.468 1.851 2.803 1.00 0.00 C ATOM 956 O SER A 68 -9.670 0.864 2.096 1.00 0.00 O ATOM 957 CB SER A 68 -7.246 2.722 3.582 1.00 0.00 C ATOM 958 OG SER A 68 -6.964 3.638 4.636 1.00 0.00 O ATOM 0 H SER A 68 -7.081 0.211 3.701 1.00 0.00 H new ATOM 0 HA SER A 68 -8.874 2.163 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.362 2.118 3.381 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.468 3.276 2.670 1.00 0.00 H new ATOM 0 HG SER A 68 -6.205 4.204 4.383 1.00 0.00 H new ATOM 964 N GLY A 69 -10.106 3.006 2.678 1.00 0.00 N ATOM 965 CA GLY A 69 -11.125 3.192 1.660 1.00 0.00 C ATOM 966 C GLY A 69 -12.523 3.217 2.281 1.00 0.00 C ATOM 967 O GLY A 69 -12.726 2.707 3.381 1.00 0.00 O ATOM 0 H GLY A 69 -9.936 3.822 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.944 4.125 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.063 2.387 0.927 1.00 0.00 H new ATOM 971 N PRO A 70 -13.475 3.832 1.529 1.00 0.00 N ATOM 972 CA PRO A 70 -14.848 3.930 1.994 1.00 0.00 C ATOM 973 C PRO A 70 -15.567 2.585 1.868 1.00 0.00 C ATOM 974 O PRO A 70 -16.105 2.070 2.846 1.00 0.00 O ATOM 975 CB PRO A 70 -15.475 5.021 1.142 1.00 0.00 C ATOM 976 CG PRO A 70 -14.575 5.170 -0.074 1.00 0.00 C ATOM 977 CD PRO A 70 -13.270 4.448 0.221 1.00 0.00 C ATOM 0 HA PRO A 70 -14.917 4.181 3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -16.489 4.751 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -15.543 5.958 1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.054 4.748 -0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.389 6.223 -0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -13.051 3.699 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -12.429 5.141 0.237 1.00 0.00 H new ATOM 985 N SER A 71 -15.553 2.055 0.653 1.00 0.00 N ATOM 986 CA SER A 71 -16.197 0.780 0.386 1.00 0.00 C ATOM 987 C SER A 71 -15.724 0.227 -0.960 1.00 0.00 C ATOM 988 O SER A 71 -15.286 0.982 -1.826 1.00 0.00 O ATOM 989 CB SER A 71 -17.720 0.920 0.397 1.00 0.00 C ATOM 990 OG SER A 71 -18.365 -0.230 -0.144 1.00 0.00 O ATOM 0 H SER A 71 -15.106 2.485 -0.157 1.00 0.00 H new ATOM 0 HA SER A 71 -15.918 0.083 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 71 -18.062 1.080 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.007 1.801 -0.177 1.00 0.00 H new ATOM 0 HG SER A 71 -19.336 -0.103 -0.118 1.00 0.00 H new ATOM 996 N SER A 72 -15.828 -1.087 -1.093 1.00 0.00 N ATOM 997 CA SER A 72 -15.416 -1.750 -2.319 1.00 0.00 C ATOM 998 C SER A 72 -16.568 -1.750 -3.326 1.00 0.00 C ATOM 999 O SER A 72 -17.730 -1.617 -2.945 1.00 0.00 O ATOM 1000 CB SER A 72 -14.954 -3.182 -2.042 1.00 0.00 C ATOM 1001 OG SER A 72 -16.052 -4.071 -1.856 1.00 0.00 O ATOM 0 H SER A 72 -16.192 -1.711 -0.372 1.00 0.00 H new ATOM 0 HA SER A 72 -14.574 -1.200 -2.739 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.341 -3.532 -2.872 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.323 -3.194 -1.153 1.00 0.00 H new ATOM 0 HG SER A 72 -15.715 -4.975 -1.683 1.00 0.00 H new ATOM 1007 N GLY A 73 -16.205 -1.901 -4.591 1.00 0.00 N ATOM 1008 CA GLY A 73 -17.194 -1.920 -5.656 1.00 0.00 C ATOM 1009 C GLY A 73 -17.232 -0.579 -6.392 1.00 0.00 C ATOM 1010 O GLY A 73 -17.829 -0.472 -7.463 1.00 0.00 O ATOM 0 H GLY A 73 -15.240 -2.011 -4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.961 -2.719 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.178 -2.139 -5.240 1.00 0.00 H new TER 1014 GLY A 73