USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 526 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.363 X(o=-0.36,f=0.003) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl -174:sc= -1.64 (180deg=-1.92) USER MOD Single : A 34 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 35 ASN : amide:sc= 0.00239 X(o=0.0024,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 48 MET CE :methyl 164:sc= -1.75 (180deg=-3.59!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 61 ASN : amide:sc= -0.0663 K(o=-0.066,f=-1.7) USER MOD Single : A 62 TYR OH : rot 78:sc= -0.662 USER MOD Single : A 67 GLN : amide:sc= -0.285 K(o=-0.28,f=-4.1!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 153:sc= -0.0209 (180deg=-0.106) USER MOD Single : A 70 THR OG1 : rot 85:sc= 0.643 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 3.581 0.189 -0.966 1.00 12.13 C ATOM 4 O MET A 1 4.037 1.304 -0.710 1.00 60.24 O ATOM 5 CB MET A 1 1.591 1.103 -2.175 1.00 73.13 C ATOM 6 CG MET A 1 1.915 0.855 -3.640 1.00 3.25 C ATOM 7 SD MET A 1 2.187 2.382 -4.559 1.00 14.31 S ATOM 8 CE MET A 1 3.958 2.577 -4.377 1.00 12.13 C ATOM 0 H1 MET A 1 0.320 -0.131 -0.213 1.00 0.00 H new ATOM 0 H2 MET A 1 1.657 -0.776 0.610 1.00 0.00 H new ATOM 0 H3 MET A 1 1.465 0.907 0.490 1.00 0.00 H new ATOM 0 HA MET A 1 1.952 -0.968 -1.725 1.00 52.33 H new ATOM 0 HB2 MET A 1 0.511 1.200 -2.062 1.00 73.13 H new ATOM 0 HB3 MET A 1 2.030 2.053 -1.870 1.00 73.13 H new ATOM 0 HG2 MET A 1 2.805 0.230 -3.710 1.00 3.25 H new ATOM 0 HG3 MET A 1 1.098 0.299 -4.100 1.00 3.25 H new ATOM 0 HE1 MET A 1 4.279 3.481 -4.894 1.00 12.13 H new ATOM 0 HE2 MET A 1 4.209 2.655 -3.319 1.00 12.13 H new ATOM 0 HE3 MET A 1 4.465 1.714 -4.807 1.00 12.13 H new ATOM 18 N ASP A 2 4.332 -0.905 -1.018 1.00 31.31 N ATOM 19 CA ASP A 2 5.769 -0.859 -0.774 1.00 11.24 C ATOM 20 C ASP A 2 6.416 -2.206 -1.080 1.00 0.11 C ATOM 21 O ASP A 2 6.660 -3.009 -0.179 1.00 24.20 O ATOM 22 CB ASP A 2 6.049 -0.463 0.677 1.00 53.41 C ATOM 23 CG ASP A 2 7.485 -0.029 0.892 1.00 44.11 C ATOM 24 OD1 ASP A 2 8.380 -0.900 0.854 1.00 3.55 O ATOM 25 OD2 ASP A 2 7.715 1.181 1.097 1.00 40.25 O ATOM 0 H ASP A 2 3.970 -1.835 -1.227 1.00 31.31 H new ATOM 0 HA ASP A 2 6.201 -0.110 -1.437 1.00 11.24 H new ATOM 0 HB2 ASP A 2 5.380 0.348 0.965 1.00 53.41 H new ATOM 0 HB3 ASP A 2 5.826 -1.307 1.330 1.00 53.41 H new ATOM 30 N THR A 3 6.691 -2.448 -2.358 1.00 12.10 N ATOM 31 CA THR A 3 7.307 -3.698 -2.784 1.00 2.02 C ATOM 32 C THR A 3 6.399 -4.887 -2.490 1.00 41.32 C ATOM 33 O THR A 3 5.372 -4.746 -1.826 1.00 22.32 O ATOM 34 CB THR A 3 8.665 -3.920 -2.090 1.00 54.13 C ATOM 35 OG1 THR A 3 9.218 -2.663 -1.684 1.00 64.42 O ATOM 36 CG2 THR A 3 9.637 -4.632 -3.019 1.00 14.01 C ATOM 0 H THR A 3 6.497 -1.794 -3.116 1.00 12.10 H new ATOM 0 HA THR A 3 7.465 -3.622 -3.860 1.00 2.02 H new ATOM 0 HB THR A 3 8.503 -4.545 -1.212 1.00 54.13 H new ATOM 0 HG1 THR A 3 10.080 -2.812 -1.242 1.00 64.42 H new ATOM 0 HG21 THR A 3 10.588 -4.778 -2.508 1.00 14.01 H new ATOM 0 HG22 THR A 3 9.226 -5.601 -3.303 1.00 14.01 H new ATOM 0 HG23 THR A 3 9.794 -4.028 -3.913 1.00 14.01 H new ATOM 44 N ASP A 4 6.784 -6.056 -2.989 1.00 31.34 N ATOM 45 CA ASP A 4 6.005 -7.271 -2.778 1.00 13.10 C ATOM 46 C ASP A 4 6.915 -8.451 -2.454 1.00 21.31 C ATOM 47 O ASP A 4 6.568 -9.604 -2.710 1.00 32.25 O ATOM 48 CB ASP A 4 5.164 -7.584 -4.017 1.00 30.23 C ATOM 49 CG ASP A 4 4.036 -6.592 -4.217 1.00 13.42 C ATOM 50 OD1 ASP A 4 4.328 -5.395 -4.422 1.00 61.35 O ATOM 51 OD2 ASP A 4 2.860 -7.011 -4.167 1.00 2.10 O ATOM 0 H ASP A 4 7.631 -6.188 -3.542 1.00 31.34 H new ATOM 0 HA ASP A 4 5.341 -7.105 -1.930 1.00 13.10 H new ATOM 0 HB2 ASP A 4 5.806 -7.582 -4.898 1.00 30.23 H new ATOM 0 HB3 ASP A 4 4.749 -8.588 -3.927 1.00 30.23 H new ATOM 56 N SER A 5 8.082 -8.155 -1.891 1.00 0.12 N ATOM 57 CA SER A 5 9.045 -9.191 -1.536 1.00 72.23 C ATOM 58 C SER A 5 9.496 -9.960 -2.775 1.00 3.35 C ATOM 59 O SER A 5 8.788 -10.839 -3.264 1.00 41.22 O ATOM 60 CB SER A 5 8.436 -10.156 -0.517 1.00 55.03 C ATOM 61 OG SER A 5 8.949 -9.917 0.782 1.00 62.24 O ATOM 0 H SER A 5 8.384 -7.206 -1.671 1.00 0.12 H new ATOM 0 HA SER A 5 9.915 -8.707 -1.092 1.00 72.23 H new ATOM 0 HB2 SER A 5 7.352 -10.045 -0.509 1.00 55.03 H new ATOM 0 HB3 SER A 5 8.649 -11.183 -0.812 1.00 55.03 H new ATOM 0 HG SER A 5 8.543 -10.545 1.415 1.00 62.24 H new ATOM 67 N GLU A 6 10.680 -9.621 -3.275 1.00 3.51 N ATOM 68 CA GLU A 6 11.226 -10.278 -4.456 1.00 42.14 C ATOM 69 C GLU A 6 12.189 -11.394 -4.062 1.00 20.20 C ATOM 70 O GLU A 6 13.090 -11.748 -4.822 1.00 52.51 O ATOM 71 CB GLU A 6 11.944 -9.262 -5.347 1.00 51.50 C ATOM 72 CG GLU A 6 12.972 -8.423 -4.607 1.00 3.10 C ATOM 73 CD GLU A 6 12.494 -7.007 -4.349 1.00 20.33 C ATOM 74 OE1 GLU A 6 12.554 -6.182 -5.284 1.00 2.41 O ATOM 75 OE2 GLU A 6 12.060 -6.725 -3.212 1.00 41.05 O ATOM 0 H GLU A 6 11.279 -8.896 -2.881 1.00 3.51 H new ATOM 0 HA GLU A 6 10.397 -10.716 -5.012 1.00 42.14 H new ATOM 0 HB2 GLU A 6 12.438 -9.791 -6.162 1.00 51.50 H new ATOM 0 HB3 GLU A 6 11.204 -8.601 -5.798 1.00 51.50 H new ATOM 0 HG2 GLU A 6 13.209 -8.901 -3.657 1.00 3.10 H new ATOM 0 HG3 GLU A 6 13.894 -8.391 -5.187 1.00 3.10 H new ATOM 82 N GLU A 7 11.991 -11.944 -2.868 1.00 20.10 N ATOM 83 CA GLU A 7 12.843 -13.019 -2.372 1.00 55.01 C ATOM 84 C GLU A 7 12.232 -14.383 -2.681 1.00 20.03 C ATOM 85 O GLU A 7 12.948 -15.365 -2.876 1.00 0.52 O ATOM 86 CB GLU A 7 13.059 -12.874 -0.864 1.00 74.02 C ATOM 87 CG GLU A 7 14.137 -13.791 -0.313 1.00 22.40 C ATOM 88 CD GLU A 7 15.416 -13.050 0.026 1.00 31.43 C ATOM 89 OE1 GLU A 7 16.000 -12.428 -0.885 1.00 53.24 O ATOM 90 OE2 GLU A 7 15.833 -13.093 1.203 1.00 72.15 O ATOM 0 H GLU A 7 11.249 -11.663 -2.227 1.00 20.10 H new ATOM 0 HA GLU A 7 13.806 -12.948 -2.878 1.00 55.01 H new ATOM 0 HB2 GLU A 7 13.324 -11.841 -0.641 1.00 74.02 H new ATOM 0 HB3 GLU A 7 12.120 -13.080 -0.350 1.00 74.02 H new ATOM 0 HG2 GLU A 7 13.763 -14.290 0.581 1.00 22.40 H new ATOM 0 HG3 GLU A 7 14.355 -14.569 -1.044 1.00 22.40 H new ATOM 97 N GLU A 8 10.904 -14.435 -2.722 1.00 43.01 N ATOM 98 CA GLU A 8 10.198 -15.679 -3.005 1.00 54.44 C ATOM 99 C GLU A 8 10.522 -16.181 -4.409 1.00 61.22 C ATOM 100 O GLU A 8 10.274 -17.342 -4.737 1.00 54.21 O ATOM 101 CB GLU A 8 8.688 -15.478 -2.860 1.00 53.41 C ATOM 102 CG GLU A 8 8.133 -15.968 -1.533 1.00 43.30 C ATOM 103 CD GLU A 8 6.845 -16.752 -1.693 1.00 24.03 C ATOM 104 OE1 GLU A 8 5.860 -16.176 -2.199 1.00 13.10 O ATOM 105 OE2 GLU A 8 6.823 -17.941 -1.312 1.00 11.14 O ATOM 0 H GLU A 8 10.296 -13.631 -2.563 1.00 43.01 H new ATOM 0 HA GLU A 8 10.529 -16.427 -2.285 1.00 54.44 H new ATOM 0 HB2 GLU A 8 8.459 -14.418 -2.971 1.00 53.41 H new ATOM 0 HB3 GLU A 8 8.181 -16.000 -3.671 1.00 53.41 H new ATOM 0 HG2 GLU A 8 8.877 -16.595 -1.042 1.00 43.30 H new ATOM 0 HG3 GLU A 8 7.955 -15.113 -0.880 1.00 43.30 H new ATOM 112 N ILE A 9 11.078 -15.299 -5.233 1.00 71.31 N ATOM 113 CA ILE A 9 11.437 -15.653 -6.601 1.00 32.12 C ATOM 114 C ILE A 9 12.789 -16.357 -6.650 1.00 13.02 C ATOM 115 O ILE A 9 12.979 -17.305 -7.412 1.00 30.12 O ATOM 116 CB ILE A 9 11.484 -14.411 -7.510 1.00 3.33 C ATOM 117 CG1 ILE A 9 10.133 -13.692 -7.499 1.00 64.34 C ATOM 118 CG2 ILE A 9 11.869 -14.806 -8.927 1.00 63.05 C ATOM 119 CD1 ILE A 9 10.146 -12.370 -8.234 1.00 65.11 C ATOM 0 H ILE A 9 11.290 -14.335 -4.977 1.00 71.31 H new ATOM 0 HA ILE A 9 10.664 -16.330 -6.965 1.00 32.12 H new ATOM 0 HB ILE A 9 12.241 -13.727 -7.127 1.00 3.33 H new ATOM 0 HG12 ILE A 9 9.382 -14.341 -7.949 1.00 64.34 H new ATOM 0 HG13 ILE A 9 9.830 -13.521 -6.466 1.00 64.34 H new ATOM 0 HG21 ILE A 9 11.898 -13.917 -9.557 1.00 63.05 H new ATOM 0 HG22 ILE A 9 12.852 -15.277 -8.919 1.00 63.05 H new ATOM 0 HG23 ILE A 9 11.134 -15.507 -9.322 1.00 63.05 H new ATOM 0 HD11 ILE A 9 9.156 -11.917 -8.185 1.00 65.11 H new ATOM 0 HD12 ILE A 9 10.873 -11.703 -7.771 1.00 65.11 H new ATOM 0 HD13 ILE A 9 10.418 -12.536 -9.276 1.00 65.11 H new ATOM 131 N ARG A 10 13.724 -15.888 -5.831 1.00 0.43 N ATOM 132 CA ARG A 10 15.059 -16.472 -5.780 1.00 34.40 C ATOM 133 C ARG A 10 14.983 -17.983 -5.580 1.00 72.34 C ATOM 134 O ARG A 10 15.723 -18.739 -6.209 1.00 74.31 O ATOM 135 CB ARG A 10 15.874 -15.838 -4.651 1.00 72.44 C ATOM 136 CG ARG A 10 16.806 -14.733 -5.120 1.00 55.30 C ATOM 137 CD ARG A 10 17.667 -14.210 -3.981 1.00 13.20 C ATOM 138 NE ARG A 10 17.610 -12.754 -3.875 1.00 71.35 N ATOM 139 CZ ARG A 10 18.518 -12.028 -3.233 1.00 71.10 C ATOM 140 NH1 ARG A 10 19.547 -12.619 -2.642 1.00 44.05 N ATOM 141 NH2 ARG A 10 18.397 -10.708 -3.181 1.00 3.31 N ATOM 0 H ARG A 10 13.582 -15.105 -5.193 1.00 0.43 H new ATOM 0 HA ARG A 10 15.552 -16.272 -6.731 1.00 34.40 H new ATOM 0 HB2 ARG A 10 15.191 -15.433 -3.904 1.00 72.44 H new ATOM 0 HB3 ARG A 10 16.462 -16.613 -4.159 1.00 72.44 H new ATOM 0 HG2 ARG A 10 17.446 -15.109 -5.918 1.00 55.30 H new ATOM 0 HG3 ARG A 10 16.220 -13.915 -5.540 1.00 55.30 H new ATOM 0 HD2 ARG A 10 17.336 -14.655 -3.043 1.00 13.20 H new ATOM 0 HD3 ARG A 10 18.700 -14.522 -4.135 1.00 13.20 H new ATOM 0 HE ARG A 10 16.830 -12.269 -4.318 1.00 71.35 H new ATOM 0 HH11 ARG A 10 19.643 -13.634 -2.680 1.00 44.05 H new ATOM 0 HH12 ARG A 10 20.243 -12.059 -2.150 1.00 44.05 H new ATOM 0 HH21 ARG A 10 17.606 -10.250 -3.634 1.00 3.31 H new ATOM 0 HH22 ARG A 10 19.095 -10.151 -2.688 1.00 3.31 H new ATOM 155 N GLU A 11 14.084 -18.415 -4.701 1.00 1.40 N ATOM 156 CA GLU A 11 13.914 -19.835 -4.418 1.00 54.12 C ATOM 157 C GLU A 11 13.057 -20.504 -5.489 1.00 53.22 C ATOM 158 O GLU A 11 13.143 -21.713 -5.703 1.00 45.40 O ATOM 159 CB GLU A 11 13.274 -20.031 -3.042 1.00 52.51 C ATOM 160 CG GLU A 11 14.216 -19.740 -1.886 1.00 61.10 C ATOM 161 CD GLU A 11 13.841 -20.493 -0.624 1.00 70.04 C ATOM 162 OE1 GLU A 11 12.645 -20.809 -0.455 1.00 11.44 O ATOM 163 OE2 GLU A 11 14.745 -20.767 0.193 1.00 14.32 O ATOM 0 H GLU A 11 13.463 -17.802 -4.173 1.00 1.40 H new ATOM 0 HA GLU A 11 14.900 -20.300 -4.422 1.00 54.12 H new ATOM 0 HB2 GLU A 11 12.401 -19.383 -2.961 1.00 52.51 H new ATOM 0 HB3 GLU A 11 12.917 -21.058 -2.959 1.00 52.51 H new ATOM 0 HG2 GLU A 11 15.233 -20.006 -2.175 1.00 61.10 H new ATOM 0 HG3 GLU A 11 14.213 -18.670 -1.680 1.00 61.10 H new ATOM 170 N ALA A 12 12.229 -19.708 -6.159 1.00 22.22 N ATOM 171 CA ALA A 12 11.358 -20.222 -7.208 1.00 54.32 C ATOM 172 C ALA A 12 12.169 -20.735 -8.393 1.00 74.21 C ATOM 173 O ALA A 12 11.840 -21.764 -8.984 1.00 23.33 O ATOM 174 CB ALA A 12 10.384 -19.144 -7.660 1.00 52.41 C ATOM 0 H ALA A 12 12.144 -18.705 -5.993 1.00 22.22 H new ATOM 0 HA ALA A 12 10.793 -21.059 -6.799 1.00 54.32 H new ATOM 0 HB1 ALA A 12 9.739 -19.542 -8.444 1.00 52.41 H new ATOM 0 HB2 ALA A 12 9.774 -18.827 -6.814 1.00 52.41 H new ATOM 0 HB3 ALA A 12 10.940 -18.290 -8.046 1.00 52.41 H new ATOM 180 N PHE A 13 13.229 -20.011 -8.736 1.00 70.44 N ATOM 181 CA PHE A 13 14.086 -20.393 -9.853 1.00 22.24 C ATOM 182 C PHE A 13 15.154 -21.386 -9.403 1.00 61.23 C ATOM 183 O PHE A 13 15.740 -22.096 -10.221 1.00 5.41 O ATOM 184 CB PHE A 13 14.749 -19.155 -10.461 1.00 74.42 C ATOM 185 CG PHE A 13 13.904 -18.473 -11.499 1.00 42.20 C ATOM 186 CD1 PHE A 13 13.774 -19.011 -12.769 1.00 64.31 C ATOM 187 CD2 PHE A 13 13.240 -17.293 -11.205 1.00 31.25 C ATOM 188 CE1 PHE A 13 12.999 -18.385 -13.726 1.00 53.21 C ATOM 189 CE2 PHE A 13 12.462 -16.662 -12.157 1.00 63.34 C ATOM 190 CZ PHE A 13 12.341 -17.210 -13.420 1.00 11.44 C ATOM 0 H PHE A 13 13.515 -19.157 -8.257 1.00 70.44 H new ATOM 0 HA PHE A 13 13.464 -20.872 -10.609 1.00 22.24 H new ATOM 0 HB2 PHE A 13 14.976 -18.446 -9.665 1.00 74.42 H new ATOM 0 HB3 PHE A 13 15.699 -19.445 -10.910 1.00 74.42 H new ATOM 0 HD1 PHE A 13 14.285 -19.931 -13.014 1.00 64.31 H new ATOM 0 HD2 PHE A 13 13.332 -16.861 -10.219 1.00 31.25 H new ATOM 0 HE1 PHE A 13 12.908 -18.814 -14.713 1.00 53.21 H new ATOM 0 HE2 PHE A 13 11.950 -15.743 -11.915 1.00 63.34 H new ATOM 0 HZ PHE A 13 11.733 -16.720 -14.166 1.00 11.44 H new ATOM 200 N ARG A 14 15.401 -21.430 -8.098 1.00 43.02 N ATOM 201 CA ARG A 14 16.399 -22.334 -7.540 1.00 4.04 C ATOM 202 C ARG A 14 15.807 -23.721 -7.306 1.00 13.53 C ATOM 203 O ARG A 14 16.485 -24.734 -7.474 1.00 44.20 O ATOM 204 CB ARG A 14 16.947 -21.774 -6.226 1.00 5.32 C ATOM 205 CG ARG A 14 18.230 -22.447 -5.764 1.00 75.13 C ATOM 206 CD ARG A 14 17.966 -23.434 -4.638 1.00 1.03 C ATOM 207 NE ARG A 14 17.692 -22.759 -3.372 1.00 23.12 N ATOM 208 CZ ARG A 14 17.328 -23.395 -2.264 1.00 14.10 C ATOM 209 NH1 ARG A 14 17.194 -24.714 -2.266 1.00 40.01 N ATOM 210 NH2 ARG A 14 17.096 -22.711 -1.151 1.00 1.03 N ATOM 0 H ARG A 14 14.924 -20.850 -7.408 1.00 43.02 H new ATOM 0 HA ARG A 14 17.214 -22.422 -8.258 1.00 4.04 H new ATOM 0 HB2 ARG A 14 17.129 -20.706 -6.344 1.00 5.32 H new ATOM 0 HB3 ARG A 14 16.189 -21.884 -5.450 1.00 5.32 H new ATOM 0 HG2 ARG A 14 18.693 -22.966 -6.603 1.00 75.13 H new ATOM 0 HG3 ARG A 14 18.939 -21.690 -5.427 1.00 75.13 H new ATOM 0 HD2 ARG A 14 17.119 -24.067 -4.902 1.00 1.03 H new ATOM 0 HD3 ARG A 14 18.829 -24.089 -4.520 1.00 1.03 H new ATOM 0 HE ARG A 14 17.785 -21.744 -3.337 1.00 23.12 H new ATOM 0 HH11 ARG A 14 17.371 -25.243 -3.120 1.00 40.01 H new ATOM 0 HH12 ARG A 14 16.914 -25.200 -1.414 1.00 40.01 H new ATOM 0 HH21 ARG A 14 17.197 -21.696 -1.146 1.00 1.03 H new ATOM 0 HH22 ARG A 14 16.817 -23.200 -0.301 1.00 1.03 H new ATOM 224 N VAL A 15 14.536 -23.757 -6.916 1.00 24.50 N ATOM 225 CA VAL A 15 13.852 -25.019 -6.659 1.00 51.04 C ATOM 226 C VAL A 15 13.401 -25.674 -7.960 1.00 63.21 C ATOM 227 O VAL A 15 13.242 -26.893 -8.031 1.00 53.01 O ATOM 228 CB VAL A 15 12.627 -24.818 -5.748 1.00 11.54 C ATOM 229 CG1 VAL A 15 11.850 -26.117 -5.602 1.00 23.25 C ATOM 230 CG2 VAL A 15 13.057 -24.288 -4.388 1.00 13.11 C ATOM 0 H VAL A 15 13.960 -22.928 -6.771 1.00 24.50 H new ATOM 0 HA VAL A 15 14.567 -25.670 -6.156 1.00 51.04 H new ATOM 0 HB VAL A 15 11.970 -24.081 -6.209 1.00 11.54 H new ATOM 0 HG11 VAL A 15 10.988 -25.955 -4.955 1.00 23.25 H new ATOM 0 HG12 VAL A 15 11.510 -26.450 -6.583 1.00 23.25 H new ATOM 0 HG13 VAL A 15 12.494 -26.879 -5.164 1.00 23.25 H new ATOM 0 HG21 VAL A 15 12.179 -24.152 -3.757 1.00 13.11 H new ATOM 0 HG22 VAL A 15 13.735 -25.000 -3.918 1.00 13.11 H new ATOM 0 HG23 VAL A 15 13.565 -23.332 -4.514 1.00 13.11 H new ATOM 240 N PHE A 16 13.198 -24.857 -8.988 1.00 71.32 N ATOM 241 CA PHE A 16 12.765 -25.357 -10.288 1.00 30.21 C ATOM 242 C PHE A 16 13.881 -26.145 -10.967 1.00 23.21 C ATOM 243 O PHE A 16 13.630 -27.150 -11.633 1.00 23.05 O ATOM 244 CB PHE A 16 12.326 -24.197 -11.184 1.00 65.00 C ATOM 245 CG PHE A 16 10.835 -24.070 -11.313 1.00 5.51 C ATOM 246 CD1 PHE A 16 10.021 -24.153 -10.195 1.00 74.13 C ATOM 247 CD2 PHE A 16 10.249 -23.866 -12.551 1.00 53.43 C ATOM 248 CE1 PHE A 16 8.648 -24.037 -10.311 1.00 44.13 C ATOM 249 CE2 PHE A 16 8.877 -23.748 -12.673 1.00 71.25 C ATOM 250 CZ PHE A 16 8.076 -23.833 -11.552 1.00 11.03 C ATOM 0 H PHE A 16 13.326 -23.846 -8.946 1.00 71.32 H new ATOM 0 HA PHE A 16 11.918 -26.024 -10.129 1.00 30.21 H new ATOM 0 HB2 PHE A 16 12.729 -23.267 -10.783 1.00 65.00 H new ATOM 0 HB3 PHE A 16 12.758 -24.331 -12.176 1.00 65.00 H new ATOM 0 HD1 PHE A 16 10.464 -24.310 -9.222 1.00 74.13 H new ATOM 0 HD2 PHE A 16 10.871 -23.798 -13.431 1.00 53.43 H new ATOM 0 HE1 PHE A 16 8.023 -24.106 -9.433 1.00 44.13 H new ATOM 0 HE2 PHE A 16 8.432 -23.589 -13.644 1.00 71.25 H new ATOM 0 HZ PHE A 16 7.004 -23.740 -11.645 1.00 11.03 H new ATOM 260 N ASP A 17 15.114 -25.681 -10.794 1.00 61.50 N ATOM 261 CA ASP A 17 16.270 -26.342 -11.389 1.00 60.11 C ATOM 262 C ASP A 17 16.835 -27.401 -10.447 1.00 42.14 C ATOM 263 O ASP A 17 17.101 -27.128 -9.277 1.00 1.04 O ATOM 264 CB ASP A 17 17.351 -25.316 -11.730 1.00 43.42 C ATOM 265 CG ASP A 17 18.562 -25.947 -12.388 1.00 24.41 C ATOM 266 OD1 ASP A 17 18.384 -26.660 -13.398 1.00 25.14 O ATOM 267 OD2 ASP A 17 19.688 -25.730 -11.893 1.00 2.35 O ATOM 0 H ASP A 17 15.339 -24.850 -10.247 1.00 61.50 H new ATOM 0 HA ASP A 17 15.945 -26.834 -12.306 1.00 60.11 H new ATOM 0 HB2 ASP A 17 16.933 -24.560 -12.394 1.00 43.42 H new ATOM 0 HB3 ASP A 17 17.662 -24.804 -10.819 1.00 43.42 H new ATOM 272 N LYS A 18 17.016 -28.611 -10.966 1.00 13.21 N ATOM 273 CA LYS A 18 17.549 -29.712 -10.173 1.00 4.22 C ATOM 274 C LYS A 18 18.780 -30.317 -10.841 1.00 1.14 C ATOM 275 O LYS A 18 19.763 -30.641 -10.174 1.00 44.43 O ATOM 276 CB LYS A 18 16.481 -30.790 -9.975 1.00 43.14 C ATOM 277 CG LYS A 18 16.629 -31.562 -8.676 1.00 24.11 C ATOM 278 CD LYS A 18 15.286 -31.777 -7.999 1.00 2.34 C ATOM 279 CE LYS A 18 15.192 -33.160 -7.374 1.00 32.23 C ATOM 280 NZ LYS A 18 13.838 -33.425 -6.814 1.00 14.45 N ATOM 0 H LYS A 18 16.801 -28.854 -11.933 1.00 13.21 H new ATOM 0 HA LYS A 18 17.842 -29.317 -9.200 1.00 4.22 H new ATOM 0 HB2 LYS A 18 15.496 -30.323 -10.000 1.00 43.14 H new ATOM 0 HB3 LYS A 18 16.523 -31.489 -10.810 1.00 43.14 H new ATOM 0 HG2 LYS A 18 17.095 -32.527 -8.876 1.00 24.11 H new ATOM 0 HG3 LYS A 18 17.294 -31.020 -8.003 1.00 24.11 H new ATOM 0 HD2 LYS A 18 15.139 -31.018 -7.230 1.00 2.34 H new ATOM 0 HD3 LYS A 18 14.486 -31.651 -8.728 1.00 2.34 H new ATOM 0 HE2 LYS A 18 15.429 -33.914 -8.124 1.00 32.23 H new ATOM 0 HE3 LYS A 18 15.936 -33.252 -6.583 1.00 32.23 H new ATOM 0 HZ1 LYS A 18 13.815 -34.378 -6.397 1.00 14.45 H new ATOM 0 HZ2 LYS A 18 13.622 -32.721 -6.080 1.00 14.45 H new ATOM 0 HZ3 LYS A 18 13.130 -33.362 -7.573 1.00 14.45 H new ATOM 294 N ASP A 19 18.719 -30.465 -12.159 1.00 61.33 N ATOM 295 CA ASP A 19 19.830 -31.029 -12.917 1.00 71.04 C ATOM 296 C ASP A 19 20.695 -29.924 -13.517 1.00 32.52 C ATOM 297 O ASP A 19 21.306 -30.103 -14.570 1.00 14.23 O ATOM 298 CB ASP A 19 19.307 -31.943 -14.027 1.00 14.42 C ATOM 299 CG ASP A 19 20.385 -32.848 -14.589 1.00 3.34 C ATOM 300 OD1 ASP A 19 21.295 -33.231 -13.824 1.00 42.21 O ATOM 301 OD2 ASP A 19 20.320 -33.172 -15.793 1.00 22.20 O ATOM 0 H ASP A 19 17.912 -30.202 -12.725 1.00 61.33 H new ATOM 0 HA ASP A 19 20.443 -31.615 -12.233 1.00 71.04 H new ATOM 0 HB2 ASP A 19 18.492 -32.553 -13.637 1.00 14.42 H new ATOM 0 HB3 ASP A 19 18.893 -31.334 -14.830 1.00 14.42 H new ATOM 306 N GLY A 20 20.741 -28.782 -12.839 1.00 13.35 N ATOM 307 CA GLY A 20 21.532 -27.665 -13.320 1.00 1.41 C ATOM 308 C GLY A 20 22.411 -27.068 -12.238 1.00 52.15 C ATOM 309 O GLY A 20 22.937 -27.787 -11.390 1.00 15.21 O ATOM 0 H GLY A 20 20.244 -28.610 -11.965 1.00 13.35 H new ATOM 0 HA2 GLY A 20 22.157 -27.997 -14.149 1.00 1.41 H new ATOM 0 HA3 GLY A 20 20.867 -26.894 -13.710 1.00 1.41 H new ATOM 313 N ASN A 21 22.572 -25.749 -12.270 1.00 13.13 N ATOM 314 CA ASN A 21 23.395 -25.056 -11.286 1.00 1.15 C ATOM 315 C ASN A 21 23.131 -23.554 -11.317 1.00 3.54 C ATOM 316 O ASN A 21 24.053 -22.754 -11.474 1.00 11.13 O ATOM 317 CB ASN A 21 24.878 -25.330 -11.546 1.00 74.23 C ATOM 318 CG ASN A 21 25.205 -25.380 -13.026 1.00 72.12 C ATOM 319 OD1 ASN A 21 25.514 -24.358 -13.640 1.00 34.42 O ATOM 320 ND2 ASN A 21 25.138 -26.572 -13.607 1.00 20.51 N ATOM 0 H ASN A 21 22.144 -25.139 -12.966 1.00 13.13 H new ATOM 0 HA ASN A 21 23.131 -25.433 -10.298 1.00 1.15 H new ATOM 0 HB2 ASN A 21 25.477 -24.554 -11.070 1.00 74.23 H new ATOM 0 HB3 ASN A 21 25.157 -26.277 -11.083 1.00 74.23 H new ATOM 0 HD21 ASN A 21 25.347 -26.667 -14.601 1.00 20.51 H new ATOM 0 HD22 ASN A 21 24.878 -27.392 -13.060 1.00 20.51 H new ATOM 327 N GLY A 22 21.865 -23.177 -11.165 1.00 20.10 N ATOM 328 CA GLY A 22 21.502 -21.772 -11.178 1.00 62.11 C ATOM 329 C GLY A 22 21.168 -21.272 -12.570 1.00 24.42 C ATOM 330 O GLY A 22 21.341 -20.091 -12.871 1.00 15.04 O ATOM 0 H GLY A 22 21.084 -23.820 -11.033 1.00 20.10 H new ATOM 0 HA2 GLY A 22 20.644 -21.615 -10.524 1.00 62.11 H new ATOM 0 HA3 GLY A 22 22.325 -21.184 -10.772 1.00 62.11 H new ATOM 334 N TYR A 23 20.691 -22.173 -13.421 1.00 63.43 N ATOM 335 CA TYR A 23 20.337 -21.819 -14.790 1.00 54.53 C ATOM 336 C TYR A 23 19.223 -22.719 -15.315 1.00 71.35 C ATOM 337 O TYR A 23 19.364 -23.942 -15.353 1.00 0.05 O ATOM 338 CB TYR A 23 21.562 -21.921 -15.700 1.00 2.02 C ATOM 339 CG TYR A 23 22.729 -21.076 -15.241 1.00 51.33 C ATOM 340 CD1 TYR A 23 23.678 -21.584 -14.363 1.00 12.22 C ATOM 341 CD2 TYR A 23 22.883 -19.769 -15.688 1.00 12.24 C ATOM 342 CE1 TYR A 23 24.745 -20.815 -13.941 1.00 12.43 C ATOM 343 CE2 TYR A 23 23.948 -18.993 -15.272 1.00 14.31 C ATOM 344 CZ TYR A 23 24.875 -19.520 -14.398 1.00 45.02 C ATOM 345 OH TYR A 23 25.938 -18.751 -13.981 1.00 72.02 O ATOM 0 H TYR A 23 20.541 -23.154 -13.187 1.00 63.43 H new ATOM 0 HA TYR A 23 19.978 -20.790 -14.790 1.00 54.53 H new ATOM 0 HB2 TYR A 23 21.878 -22.963 -15.755 1.00 2.02 H new ATOM 0 HB3 TYR A 23 21.281 -21.620 -16.709 1.00 2.02 H new ATOM 0 HD1 TYR A 23 23.580 -22.598 -14.004 1.00 12.22 H new ATOM 0 HD2 TYR A 23 22.158 -19.353 -16.372 1.00 12.24 H new ATOM 0 HE1 TYR A 23 25.473 -21.225 -13.257 1.00 12.43 H new ATOM 0 HE2 TYR A 23 24.054 -17.979 -15.629 1.00 14.31 H new ATOM 0 HH TYR A 23 25.883 -17.865 -14.396 1.00 72.02 H new ATOM 355 N ILE A 24 18.116 -22.106 -15.721 1.00 4.51 N ATOM 356 CA ILE A 24 16.979 -22.851 -16.246 1.00 12.52 C ATOM 357 C ILE A 24 16.843 -22.657 -17.752 1.00 61.54 C ATOM 358 O ILE A 24 17.548 -21.844 -18.350 1.00 71.53 O ATOM 359 CB ILE A 24 15.665 -22.425 -15.565 1.00 34.23 C ATOM 360 CG1 ILE A 24 15.441 -20.921 -15.733 1.00 70.02 C ATOM 361 CG2 ILE A 24 15.686 -22.801 -14.091 1.00 23.24 C ATOM 362 CD1 ILE A 24 14.062 -20.569 -16.245 1.00 12.20 C ATOM 0 H ILE A 24 17.983 -21.095 -15.696 1.00 4.51 H new ATOM 0 HA ILE A 24 17.165 -23.904 -16.033 1.00 12.52 H new ATOM 0 HB ILE A 24 14.839 -22.952 -16.043 1.00 34.23 H new ATOM 0 HG12 ILE A 24 15.600 -20.429 -14.774 1.00 70.02 H new ATOM 0 HG13 ILE A 24 16.187 -20.525 -16.422 1.00 70.02 H new ATOM 0 HG21 ILE A 24 14.751 -22.493 -13.624 1.00 23.24 H new ATOM 0 HG22 ILE A 24 15.803 -23.880 -13.992 1.00 23.24 H new ATOM 0 HG23 ILE A 24 16.519 -22.299 -13.599 1.00 23.24 H new ATOM 0 HD11 ILE A 24 13.974 -19.487 -16.340 1.00 12.20 H new ATOM 0 HD12 ILE A 24 13.906 -21.032 -17.219 1.00 12.20 H new ATOM 0 HD13 ILE A 24 13.310 -20.934 -15.545 1.00 12.20 H new ATOM 374 N SER A 25 15.931 -23.409 -18.360 1.00 70.41 N ATOM 375 CA SER A 25 15.703 -23.323 -19.798 1.00 5.22 C ATOM 376 C SER A 25 14.559 -22.364 -20.110 1.00 14.22 C ATOM 377 O SER A 25 13.820 -21.950 -19.217 1.00 5.44 O ATOM 378 CB SER A 25 15.395 -24.707 -20.371 1.00 72.20 C ATOM 379 OG SER A 25 16.424 -25.139 -21.244 1.00 24.14 O ATOM 0 H SER A 25 15.338 -24.085 -17.879 1.00 70.41 H new ATOM 0 HA SER A 25 16.612 -22.940 -20.263 1.00 5.22 H new ATOM 0 HB2 SER A 25 15.280 -25.423 -19.557 1.00 72.20 H new ATOM 0 HB3 SER A 25 14.447 -24.679 -20.908 1.00 72.20 H new ATOM 0 HG SER A 25 16.204 -26.027 -21.595 1.00 24.14 H new ATOM 385 N ALA A 26 14.418 -22.015 -21.385 1.00 31.24 N ATOM 386 CA ALA A 26 13.363 -21.107 -21.816 1.00 73.12 C ATOM 387 C ALA A 26 12.014 -21.517 -21.235 1.00 12.02 C ATOM 388 O ALA A 26 11.249 -20.676 -20.763 1.00 43.00 O ATOM 389 CB ALA A 26 13.293 -21.063 -23.335 1.00 43.35 C ATOM 0 H ALA A 26 15.021 -22.348 -22.137 1.00 31.24 H new ATOM 0 HA ALA A 26 13.602 -20.110 -21.444 1.00 73.12 H new ATOM 0 HB1 ALA A 26 12.501 -20.381 -23.643 1.00 43.35 H new ATOM 0 HB2 ALA A 26 14.246 -20.715 -23.733 1.00 43.35 H new ATOM 0 HB3 ALA A 26 13.082 -22.061 -23.719 1.00 43.35 H new ATOM 395 N ALA A 27 11.728 -22.814 -21.273 1.00 31.30 N ATOM 396 CA ALA A 27 10.472 -23.335 -20.749 1.00 34.43 C ATOM 397 C ALA A 27 10.203 -22.809 -19.343 1.00 53.52 C ATOM 398 O ALA A 27 9.205 -22.128 -19.105 1.00 51.35 O ATOM 399 CB ALA A 27 10.490 -24.857 -20.750 1.00 10.24 C ATOM 0 H ALA A 27 12.350 -23.523 -21.661 1.00 31.30 H new ATOM 0 HA ALA A 27 9.666 -22.991 -21.398 1.00 34.43 H new ATOM 0 HB1 ALA A 27 9.546 -25.232 -20.356 1.00 10.24 H new ATOM 0 HB2 ALA A 27 10.627 -25.219 -21.769 1.00 10.24 H new ATOM 0 HB3 ALA A 27 11.310 -25.212 -20.126 1.00 10.24 H new ATOM 405 N ASP A 28 11.098 -23.128 -18.415 1.00 61.24 N ATOM 406 CA ASP A 28 10.957 -22.686 -17.033 1.00 24.53 C ATOM 407 C ASP A 28 10.846 -21.167 -16.956 1.00 41.03 C ATOM 408 O ASP A 28 10.205 -20.625 -16.055 1.00 20.33 O ATOM 409 CB ASP A 28 12.146 -23.166 -16.198 1.00 43.23 C ATOM 410 CG ASP A 28 11.933 -24.556 -15.632 1.00 64.03 C ATOM 411 OD1 ASP A 28 10.763 -24.941 -15.428 1.00 72.13 O ATOM 412 OD2 ASP A 28 12.937 -25.259 -15.394 1.00 62.31 O ATOM 0 H ASP A 28 11.929 -23.691 -18.595 1.00 61.24 H new ATOM 0 HA ASP A 28 10.041 -23.119 -16.631 1.00 24.53 H new ATOM 0 HB2 ASP A 28 13.045 -23.162 -16.815 1.00 43.23 H new ATOM 0 HB3 ASP A 28 12.318 -22.466 -15.380 1.00 43.23 H new ATOM 417 N LEU A 29 11.475 -20.484 -17.907 1.00 32.42 N ATOM 418 CA LEU A 29 11.448 -19.026 -17.947 1.00 75.41 C ATOM 419 C LEU A 29 10.051 -18.517 -18.290 1.00 21.15 C ATOM 420 O LEU A 29 9.445 -17.773 -17.519 1.00 11.40 O ATOM 421 CB LEU A 29 12.458 -18.506 -18.971 1.00 11.11 C ATOM 422 CG LEU A 29 12.847 -17.033 -18.841 1.00 24.04 C ATOM 423 CD1 LEU A 29 13.671 -16.808 -17.582 1.00 41.02 C ATOM 424 CD2 LEU A 29 13.615 -16.573 -20.072 1.00 35.32 C ATOM 0 H LEU A 29 12.010 -20.917 -18.660 1.00 32.42 H new ATOM 0 HA LEU A 29 11.718 -18.654 -16.958 1.00 75.41 H new ATOM 0 HB2 LEU A 29 13.363 -19.108 -18.897 1.00 11.11 H new ATOM 0 HB3 LEU A 29 12.049 -18.667 -19.969 1.00 11.11 H new ATOM 0 HG LEU A 29 11.935 -16.442 -18.765 1.00 24.04 H new ATOM 0 HD11 LEU A 29 13.939 -15.754 -17.506 1.00 41.02 H new ATOM 0 HD12 LEU A 29 13.087 -17.098 -16.708 1.00 41.02 H new ATOM 0 HD13 LEU A 29 14.578 -17.410 -17.628 1.00 41.02 H new ATOM 0 HD21 LEU A 29 13.884 -15.522 -19.962 1.00 35.32 H new ATOM 0 HD22 LEU A 29 14.521 -17.170 -20.180 1.00 35.32 H new ATOM 0 HD23 LEU A 29 12.991 -16.697 -20.957 1.00 35.32 H new ATOM 436 N ARG A 30 9.546 -18.925 -19.449 1.00 71.30 N ATOM 437 CA ARG A 30 8.220 -18.511 -19.893 1.00 24.21 C ATOM 438 C ARG A 30 7.166 -18.846 -18.842 1.00 51.10 C ATOM 439 O ARG A 30 6.145 -18.165 -18.732 1.00 65.34 O ATOM 440 CB ARG A 30 7.868 -19.189 -21.218 1.00 62.13 C ATOM 441 CG ARG A 30 6.643 -18.599 -21.897 1.00 73.52 C ATOM 442 CD ARG A 30 6.219 -19.428 -23.100 1.00 20.54 C ATOM 443 NE ARG A 30 5.116 -18.810 -23.829 1.00 54.14 N ATOM 444 CZ ARG A 30 3.867 -18.771 -23.379 1.00 13.23 C ATOM 445 NH1 ARG A 30 3.564 -19.311 -22.206 1.00 63.34 N ATOM 446 NH2 ARG A 30 2.917 -18.190 -24.101 1.00 2.21 N ATOM 0 H ARG A 30 10.035 -19.542 -20.098 1.00 71.30 H new ATOM 0 HA ARG A 30 8.233 -17.431 -20.038 1.00 24.21 H new ATOM 0 HB2 ARG A 30 8.720 -19.112 -21.894 1.00 62.13 H new ATOM 0 HB3 ARG A 30 7.698 -20.251 -21.039 1.00 62.13 H new ATOM 0 HG2 ARG A 30 5.821 -18.545 -21.183 1.00 73.52 H new ATOM 0 HG3 ARG A 30 6.858 -17.579 -22.214 1.00 73.52 H new ATOM 0 HD2 ARG A 30 7.069 -19.556 -23.770 1.00 20.54 H new ATOM 0 HD3 ARG A 30 5.922 -20.423 -22.768 1.00 20.54 H new ATOM 0 HE ARG A 30 5.315 -18.384 -24.734 1.00 54.14 H new ATOM 0 HH11 ARG A 30 4.291 -19.758 -21.647 1.00 63.34 H new ATOM 0 HH12 ARG A 30 2.604 -19.280 -21.863 1.00 63.34 H new ATOM 0 HH21 ARG A 30 3.146 -17.772 -25.003 1.00 2.21 H new ATOM 0 HH22 ARG A 30 1.958 -18.161 -23.754 1.00 2.21 H new ATOM 460 N HIS A 31 7.419 -19.899 -18.072 1.00 22.15 N ATOM 461 CA HIS A 31 6.492 -20.324 -17.029 1.00 72.41 C ATOM 462 C HIS A 31 6.492 -19.337 -15.866 1.00 30.11 C ATOM 463 O HIS A 31 5.471 -18.721 -15.561 1.00 52.33 O ATOM 464 CB HIS A 31 6.860 -21.721 -16.528 1.00 25.01 C ATOM 465 CG HIS A 31 5.917 -22.790 -16.986 1.00 32.23 C ATOM 466 ND1 HIS A 31 4.618 -22.892 -16.534 1.00 10.41 N ATOM 467 CD2 HIS A 31 6.089 -23.807 -17.862 1.00 23.40 C ATOM 468 CE1 HIS A 31 4.033 -23.926 -17.111 1.00 51.10 C ATOM 469 NE2 HIS A 31 4.904 -24.498 -17.922 1.00 61.40 N ATOM 0 H HIS A 31 8.258 -20.474 -18.150 1.00 22.15 H new ATOM 0 HA HIS A 31 5.490 -20.352 -17.458 1.00 72.41 H new ATOM 0 HB2 HIS A 31 7.866 -21.966 -16.867 1.00 25.01 H new ATOM 0 HB3 HIS A 31 6.884 -21.712 -15.438 1.00 25.01 H new ATOM 0 HD2 HIS A 31 6.991 -24.033 -18.412 1.00 23.40 H new ATOM 0 HE1 HIS A 31 3.015 -24.249 -16.947 1.00 51.10 H new ATOM 0 HE2 HIS A 31 4.726 -25.320 -18.499 1.00 61.40 H new ATOM 477 N VAL A 32 7.644 -19.193 -15.219 1.00 1.52 N ATOM 478 CA VAL A 32 7.777 -18.280 -14.089 1.00 63.24 C ATOM 479 C VAL A 32 7.316 -16.875 -14.461 1.00 23.25 C ATOM 480 O VAL A 32 6.644 -16.205 -13.678 1.00 14.21 O ATOM 481 CB VAL A 32 9.232 -18.216 -13.589 1.00 4.45 C ATOM 482 CG1 VAL A 32 9.331 -17.347 -12.344 1.00 12.12 C ATOM 483 CG2 VAL A 32 9.764 -19.615 -13.316 1.00 0.42 C ATOM 0 H VAL A 32 8.498 -19.696 -15.458 1.00 1.52 H new ATOM 0 HA VAL A 32 7.143 -18.668 -13.291 1.00 63.24 H new ATOM 0 HB VAL A 32 9.846 -17.764 -14.368 1.00 4.45 H new ATOM 0 HG11 VAL A 32 10.366 -17.314 -12.005 1.00 12.12 H new ATOM 0 HG12 VAL A 32 8.993 -16.337 -12.577 1.00 12.12 H new ATOM 0 HG13 VAL A 32 8.705 -17.767 -11.557 1.00 12.12 H new ATOM 0 HG21 VAL A 32 10.793 -19.550 -12.964 1.00 0.42 H new ATOM 0 HG22 VAL A 32 9.149 -20.096 -12.555 1.00 0.42 H new ATOM 0 HG23 VAL A 32 9.731 -20.202 -14.234 1.00 0.42 H new ATOM 493 N MET A 33 7.683 -16.436 -15.660 1.00 53.21 N ATOM 494 CA MET A 33 7.305 -15.110 -16.136 1.00 71.11 C ATOM 495 C MET A 33 5.794 -15.009 -16.322 1.00 63.43 C ATOM 496 O MET A 33 5.139 -14.160 -15.717 1.00 74.35 O ATOM 497 CB MET A 33 8.015 -14.797 -17.454 1.00 40.35 C ATOM 498 CG MET A 33 8.828 -13.513 -17.417 1.00 0.14 C ATOM 499 SD MET A 33 7.794 -12.036 -17.427 1.00 44.53 S ATOM 500 CE MET A 33 7.135 -12.096 -19.091 1.00 52.14 C ATOM 0 H MET A 33 8.241 -16.978 -16.320 1.00 53.21 H new ATOM 0 HA MET A 33 7.610 -14.381 -15.385 1.00 71.11 H new ATOM 0 HB2 MET A 33 8.674 -15.627 -17.708 1.00 40.35 H new ATOM 0 HB3 MET A 33 7.273 -14.724 -18.249 1.00 40.35 H new ATOM 0 HG2 MET A 33 9.453 -13.509 -16.524 1.00 0.14 H new ATOM 0 HG3 MET A 33 9.499 -13.488 -18.275 1.00 0.14 H new ATOM 0 HE1 MET A 33 6.560 -11.191 -19.287 1.00 52.14 H new ATOM 0 HE2 MET A 33 7.956 -12.167 -19.805 1.00 52.14 H new ATOM 0 HE3 MET A 33 6.488 -12.967 -19.195 1.00 52.14 H new ATOM 510 N THR A 34 5.247 -15.881 -17.163 1.00 74.24 N ATOM 511 CA THR A 34 3.814 -15.889 -17.430 1.00 72.22 C ATOM 512 C THR A 34 3.017 -16.116 -16.150 1.00 45.22 C ATOM 513 O THR A 34 1.835 -15.785 -16.077 1.00 72.44 O ATOM 514 CB THR A 34 3.439 -16.977 -18.454 1.00 21.51 C ATOM 515 OG1 THR A 34 4.151 -16.764 -19.678 1.00 74.31 O ATOM 516 CG2 THR A 34 1.942 -16.974 -18.724 1.00 41.42 C ATOM 0 H THR A 34 5.775 -16.591 -17.671 1.00 74.24 H new ATOM 0 HA THR A 34 3.564 -14.911 -17.842 1.00 72.22 H new ATOM 0 HB THR A 34 3.714 -17.946 -18.038 1.00 21.51 H new ATOM 0 HG1 THR A 34 5.064 -17.110 -19.590 1.00 74.31 H new ATOM 0 HG21 THR A 34 1.702 -17.751 -19.450 1.00 41.42 H new ATOM 0 HG22 THR A 34 1.404 -17.166 -17.795 1.00 41.42 H new ATOM 0 HG23 THR A 34 1.646 -16.003 -19.120 1.00 41.42 H new ATOM 524 N ASN A 35 3.674 -16.681 -15.142 1.00 43.04 N ATOM 525 CA ASN A 35 3.026 -16.952 -13.864 1.00 45.50 C ATOM 526 C ASN A 35 3.752 -16.241 -12.725 1.00 62.34 C ATOM 527 O ASN A 35 4.661 -16.800 -12.109 1.00 74.21 O ATOM 528 CB ASN A 35 2.987 -18.458 -13.598 1.00 14.45 C ATOM 529 CG ASN A 35 1.922 -19.162 -14.417 1.00 4.22 C ATOM 530 OD1 ASN A 35 0.775 -19.285 -13.989 1.00 75.22 O ATOM 531 ND2 ASN A 35 2.300 -19.628 -15.602 1.00 1.14 N ATOM 0 H ASN A 35 4.654 -16.960 -15.186 1.00 43.04 H new ATOM 0 HA ASN A 35 2.005 -16.572 -13.914 1.00 45.50 H new ATOM 0 HB2 ASN A 35 3.961 -18.890 -13.826 1.00 14.45 H new ATOM 0 HB3 ASN A 35 2.801 -18.632 -12.538 1.00 14.45 H new ATOM 0 HD21 ASN A 35 1.628 -20.111 -16.198 1.00 1.14 H new ATOM 0 HD22 ASN A 35 3.262 -19.503 -15.916 1.00 1.14 H new ATOM 538 N LEU A 36 3.345 -15.007 -12.451 1.00 2.03 N ATOM 539 CA LEU A 36 3.956 -14.219 -11.385 1.00 73.33 C ATOM 540 C LEU A 36 3.290 -12.852 -11.269 1.00 41.23 C ATOM 541 O LEU A 36 2.785 -12.484 -10.210 1.00 13.13 O ATOM 542 CB LEU A 36 5.454 -14.050 -11.644 1.00 12.31 C ATOM 543 CG LEU A 36 6.388 -14.777 -10.676 1.00 44.43 C ATOM 544 CD1 LEU A 36 7.822 -14.729 -11.182 1.00 31.22 C ATOM 545 CD2 LEU A 36 6.292 -14.170 -9.284 1.00 54.31 C ATOM 0 H LEU A 36 2.595 -14.530 -12.951 1.00 2.03 H new ATOM 0 HA LEU A 36 3.814 -14.752 -10.445 1.00 73.33 H new ATOM 0 HB2 LEU A 36 5.669 -14.397 -12.655 1.00 12.31 H new ATOM 0 HB3 LEU A 36 5.690 -12.986 -11.615 1.00 12.31 H new ATOM 0 HG LEU A 36 6.079 -15.821 -10.617 1.00 44.43 H new ATOM 0 HD11 LEU A 36 8.473 -15.251 -10.481 1.00 31.22 H new ATOM 0 HD12 LEU A 36 7.880 -15.211 -12.158 1.00 31.22 H new ATOM 0 HD13 LEU A 36 8.142 -13.691 -11.270 1.00 31.22 H new ATOM 0 HD21 LEU A 36 6.964 -14.700 -8.609 1.00 54.31 H new ATOM 0 HD22 LEU A 36 6.575 -13.118 -9.325 1.00 54.31 H new ATOM 0 HD23 LEU A 36 5.268 -14.256 -8.919 1.00 54.31 H new ATOM 557 N GLY A 37 3.292 -12.103 -12.368 1.00 60.01 N ATOM 558 CA GLY A 37 2.684 -10.785 -12.369 1.00 32.40 C ATOM 559 C GLY A 37 1.522 -10.684 -13.337 1.00 34.03 C ATOM 560 O GLY A 37 1.659 -10.125 -14.424 1.00 53.22 O ATOM 0 H GLY A 37 3.704 -12.386 -13.257 1.00 60.01 H new ATOM 0 HA2 GLY A 37 2.337 -10.547 -11.363 1.00 32.40 H new ATOM 0 HA3 GLY A 37 3.437 -10.041 -12.631 1.00 32.40 H new ATOM 564 N GLU A 38 0.375 -11.228 -12.941 1.00 52.21 N ATOM 565 CA GLU A 38 -0.815 -11.198 -13.784 1.00 0.43 C ATOM 566 C GLU A 38 -0.587 -11.979 -15.075 1.00 13.43 C ATOM 567 O GLU A 38 0.527 -12.419 -15.359 1.00 75.34 O ATOM 568 CB GLU A 38 -1.200 -9.753 -14.110 1.00 4.13 C ATOM 569 CG GLU A 38 -1.158 -8.826 -12.907 1.00 2.33 C ATOM 570 CD GLU A 38 -2.068 -7.623 -13.065 1.00 70.30 C ATOM 571 OE1 GLU A 38 -3.214 -7.803 -13.526 1.00 53.24 O ATOM 572 OE2 GLU A 38 -1.633 -6.502 -12.727 1.00 33.32 O ATOM 0 H GLU A 38 0.245 -11.694 -12.043 1.00 52.21 H new ATOM 0 HA GLU A 38 -1.630 -11.668 -13.234 1.00 0.43 H new ATOM 0 HB2 GLU A 38 -0.526 -9.370 -14.877 1.00 4.13 H new ATOM 0 HB3 GLU A 38 -2.204 -9.740 -14.533 1.00 4.13 H new ATOM 0 HG2 GLU A 38 -1.448 -9.381 -12.015 1.00 2.33 H new ATOM 0 HG3 GLU A 38 -0.135 -8.485 -12.752 1.00 2.33 H new ATOM 579 N LYS A 39 -1.651 -12.147 -15.853 1.00 11.31 N ATOM 580 CA LYS A 39 -1.570 -12.873 -17.114 1.00 62.43 C ATOM 581 C LYS A 39 -1.075 -11.965 -18.235 1.00 3.41 C ATOM 582 O LYS A 39 -1.654 -10.909 -18.493 1.00 43.51 O ATOM 583 CB LYS A 39 -2.937 -13.454 -17.481 1.00 73.30 C ATOM 584 CG LYS A 39 -2.863 -14.613 -18.461 1.00 12.34 C ATOM 585 CD LYS A 39 -4.046 -14.613 -19.414 1.00 72.13 C ATOM 586 CE LYS A 39 -3.672 -14.027 -20.767 1.00 1.21 C ATOM 587 NZ LYS A 39 -3.183 -15.072 -21.708 1.00 53.15 N ATOM 0 H LYS A 39 -2.580 -11.790 -15.632 1.00 11.31 H new ATOM 0 HA LYS A 39 -0.857 -13.688 -16.989 1.00 62.43 H new ATOM 0 HB2 LYS A 39 -3.436 -13.789 -16.572 1.00 73.30 H new ATOM 0 HB3 LYS A 39 -3.554 -12.665 -17.911 1.00 73.30 H new ATOM 0 HG2 LYS A 39 -1.936 -14.551 -19.031 1.00 12.34 H new ATOM 0 HG3 LYS A 39 -2.837 -15.554 -17.912 1.00 12.34 H new ATOM 0 HD2 LYS A 39 -4.409 -15.632 -19.546 1.00 72.13 H new ATOM 0 HD3 LYS A 39 -4.864 -14.037 -18.980 1.00 72.13 H new ATOM 0 HE2 LYS A 39 -4.539 -13.527 -21.198 1.00 1.21 H new ATOM 0 HE3 LYS A 39 -2.900 -13.269 -20.634 1.00 1.21 H new ATOM 0 HZ1 LYS A 39 -2.939 -14.632 -22.618 1.00 53.15 H new ATOM 0 HZ2 LYS A 39 -2.340 -15.532 -21.308 1.00 53.15 H new ATOM 0 HZ3 LYS A 39 -3.928 -15.782 -21.856 1.00 53.15 H new ATOM 601 N LEU A 40 -0.002 -12.382 -18.898 1.00 50.22 N ATOM 602 CA LEU A 40 0.570 -11.606 -19.993 1.00 2.30 C ATOM 603 C LEU A 40 0.293 -12.273 -21.336 1.00 63.04 C ATOM 604 O LEU A 40 -0.203 -13.399 -21.393 1.00 5.12 O ATOM 605 CB LEU A 40 2.078 -11.441 -19.794 1.00 11.33 C ATOM 606 CG LEU A 40 2.522 -10.183 -19.046 1.00 45.15 C ATOM 607 CD1 LEU A 40 2.231 -8.940 -19.873 1.00 20.01 C ATOM 608 CD2 LEU A 40 1.836 -10.097 -17.691 1.00 23.41 C ATOM 0 H LEU A 40 0.489 -13.253 -18.697 1.00 50.22 H new ATOM 0 HA LEU A 40 0.100 -10.623 -19.993 1.00 2.30 H new ATOM 0 HB2 LEU A 40 2.450 -12.311 -19.254 1.00 11.33 H new ATOM 0 HB3 LEU A 40 2.556 -11.445 -20.773 1.00 11.33 H new ATOM 0 HG LEU A 40 3.598 -10.242 -18.882 1.00 45.15 H new ATOM 0 HD11 LEU A 40 2.553 -8.055 -19.325 1.00 20.01 H new ATOM 0 HD12 LEU A 40 2.770 -8.998 -20.819 1.00 20.01 H new ATOM 0 HD13 LEU A 40 1.161 -8.876 -20.069 1.00 20.01 H new ATOM 0 HD21 LEU A 40 2.164 -9.196 -17.174 1.00 23.41 H new ATOM 0 HD22 LEU A 40 0.756 -10.062 -17.832 1.00 23.41 H new ATOM 0 HD23 LEU A 40 2.096 -10.972 -17.095 1.00 23.41 H new ATOM 620 N THR A 41 0.619 -11.572 -22.418 1.00 51.10 N ATOM 621 CA THR A 41 0.407 -12.096 -23.761 1.00 74.22 C ATOM 622 C THR A 41 1.667 -12.766 -24.295 1.00 62.45 C ATOM 623 O THR A 41 2.783 -12.334 -24.005 1.00 15.32 O ATOM 624 CB THR A 41 -0.023 -10.984 -24.737 1.00 21.32 C ATOM 625 OG1 THR A 41 1.022 -10.013 -24.864 1.00 31.34 O ATOM 626 CG2 THR A 41 -1.297 -10.306 -24.257 1.00 51.21 C ATOM 0 H THR A 41 1.031 -10.639 -22.390 1.00 51.10 H new ATOM 0 HA THR A 41 -0.391 -12.835 -23.689 1.00 74.22 H new ATOM 0 HB THR A 41 -0.216 -11.438 -25.709 1.00 21.32 H new ATOM 0 HG1 THR A 41 0.742 -9.311 -25.487 1.00 31.34 H new ATOM 0 HG21 THR A 41 -1.581 -9.525 -24.962 1.00 51.21 H new ATOM 0 HG22 THR A 41 -2.098 -11.042 -24.189 1.00 51.21 H new ATOM 0 HG23 THR A 41 -1.126 -9.864 -23.275 1.00 51.21 H new ATOM 634 N ASP A 42 1.483 -13.824 -25.078 1.00 51.11 N ATOM 635 CA ASP A 42 2.606 -14.553 -25.655 1.00 22.31 C ATOM 636 C ASP A 42 3.532 -13.611 -26.417 1.00 41.34 C ATOM 637 O ASP A 42 4.731 -13.861 -26.530 1.00 65.34 O ATOM 638 CB ASP A 42 2.101 -15.656 -26.586 1.00 64.34 C ATOM 639 CG ASP A 42 1.206 -15.120 -27.686 1.00 70.52 C ATOM 640 OD1 ASP A 42 0.015 -14.865 -27.410 1.00 51.33 O ATOM 641 OD2 ASP A 42 1.696 -14.956 -28.823 1.00 4.04 O ATOM 0 H ASP A 42 0.566 -14.196 -25.327 1.00 51.11 H new ATOM 0 HA ASP A 42 3.170 -15.006 -24.840 1.00 22.31 H new ATOM 0 HB2 ASP A 42 2.953 -16.169 -27.032 1.00 64.34 H new ATOM 0 HB3 ASP A 42 1.552 -16.396 -26.004 1.00 64.34 H new ATOM 646 N GLU A 43 2.966 -12.527 -26.939 1.00 40.11 N ATOM 647 CA GLU A 43 3.741 -11.548 -27.693 1.00 24.44 C ATOM 648 C GLU A 43 4.592 -10.692 -26.759 1.00 21.55 C ATOM 649 O GLU A 43 5.787 -10.507 -26.987 1.00 12.20 O ATOM 650 CB GLU A 43 2.813 -10.654 -28.517 1.00 72.41 C ATOM 651 CG GLU A 43 3.451 -10.124 -29.790 1.00 12.00 C ATOM 652 CD GLU A 43 3.592 -8.614 -29.786 1.00 64.32 C ATOM 653 OE1 GLU A 43 2.684 -7.935 -29.263 1.00 22.20 O ATOM 654 OE2 GLU A 43 4.610 -8.112 -30.306 1.00 44.03 O ATOM 0 H GLU A 43 1.974 -12.305 -26.854 1.00 40.11 H new ATOM 0 HA GLU A 43 4.404 -12.090 -28.367 1.00 24.44 H new ATOM 0 HB2 GLU A 43 1.917 -11.217 -28.777 1.00 72.41 H new ATOM 0 HB3 GLU A 43 2.494 -9.812 -27.903 1.00 72.41 H new ATOM 0 HG2 GLU A 43 4.435 -10.577 -29.915 1.00 12.00 H new ATOM 0 HG3 GLU A 43 2.849 -10.427 -30.647 1.00 12.00 H new ATOM 661 N GLU A 44 3.966 -10.174 -25.707 1.00 3.25 N ATOM 662 CA GLU A 44 4.666 -9.336 -24.739 1.00 34.50 C ATOM 663 C GLU A 44 5.828 -10.094 -24.103 1.00 72.14 C ATOM 664 O GLU A 44 6.928 -9.560 -23.961 1.00 71.10 O ATOM 665 CB GLU A 44 3.700 -8.858 -23.653 1.00 54.10 C ATOM 666 CG GLU A 44 2.932 -7.603 -24.032 1.00 13.33 C ATOM 667 CD GLU A 44 3.718 -6.334 -23.762 1.00 73.32 C ATOM 668 OE1 GLU A 44 4.827 -6.194 -24.318 1.00 1.23 O ATOM 669 OE2 GLU A 44 3.222 -5.482 -22.995 1.00 45.13 O ATOM 0 H GLU A 44 2.977 -10.319 -25.503 1.00 3.25 H new ATOM 0 HA GLU A 44 5.065 -8.470 -25.268 1.00 34.50 H new ATOM 0 HB2 GLU A 44 2.990 -9.656 -23.433 1.00 54.10 H new ATOM 0 HB3 GLU A 44 4.261 -8.668 -22.738 1.00 54.10 H new ATOM 0 HG2 GLU A 44 2.671 -7.646 -25.090 1.00 13.33 H new ATOM 0 HG3 GLU A 44 1.996 -7.572 -23.474 1.00 13.33 H new ATOM 676 N VAL A 45 5.575 -11.342 -23.722 1.00 60.21 N ATOM 677 CA VAL A 45 6.599 -12.174 -23.102 1.00 61.41 C ATOM 678 C VAL A 45 7.751 -12.437 -24.065 1.00 61.34 C ATOM 679 O VAL A 45 8.912 -12.500 -23.659 1.00 54.02 O ATOM 680 CB VAL A 45 6.019 -13.522 -22.633 1.00 0.11 C ATOM 681 CG1 VAL A 45 7.104 -14.379 -21.999 1.00 1.45 C ATOM 682 CG2 VAL A 45 4.870 -13.298 -21.662 1.00 14.50 C ATOM 0 H VAL A 45 4.670 -11.799 -23.832 1.00 60.21 H new ATOM 0 HA VAL A 45 6.971 -11.626 -22.236 1.00 61.41 H new ATOM 0 HB VAL A 45 5.632 -14.053 -23.502 1.00 0.11 H new ATOM 0 HG11 VAL A 45 6.675 -15.327 -21.674 1.00 1.45 H new ATOM 0 HG12 VAL A 45 7.891 -14.568 -22.729 1.00 1.45 H new ATOM 0 HG13 VAL A 45 7.524 -13.857 -21.139 1.00 1.45 H new ATOM 0 HG21 VAL A 45 4.472 -14.261 -21.341 1.00 14.50 H new ATOM 0 HG22 VAL A 45 5.230 -12.746 -20.794 1.00 14.50 H new ATOM 0 HG23 VAL A 45 4.083 -12.726 -22.155 1.00 14.50 H new ATOM 692 N ASP A 46 7.423 -12.590 -25.344 1.00 31.04 N ATOM 693 CA ASP A 46 8.431 -12.845 -26.367 1.00 15.35 C ATOM 694 C ASP A 46 9.548 -11.809 -26.298 1.00 43.11 C ATOM 695 O ASP A 46 10.721 -12.135 -26.477 1.00 61.35 O ATOM 696 CB ASP A 46 7.792 -12.833 -27.756 1.00 53.21 C ATOM 697 CG ASP A 46 8.704 -13.414 -28.818 1.00 22.41 C ATOM 698 OD1 ASP A 46 9.901 -13.058 -28.831 1.00 71.30 O ATOM 699 OD2 ASP A 46 8.222 -14.225 -29.636 1.00 75.24 O ATOM 0 H ASP A 46 6.467 -12.542 -25.697 1.00 31.04 H new ATOM 0 HA ASP A 46 8.861 -13.829 -26.182 1.00 15.35 H new ATOM 0 HB2 ASP A 46 6.862 -13.401 -27.730 1.00 53.21 H new ATOM 0 HB3 ASP A 46 7.533 -11.809 -28.025 1.00 53.21 H new ATOM 704 N GLU A 47 9.175 -10.559 -26.039 1.00 25.55 N ATOM 705 CA GLU A 47 10.147 -9.476 -25.949 1.00 23.13 C ATOM 706 C GLU A 47 10.855 -9.491 -24.597 1.00 10.42 C ATOM 707 O GLU A 47 11.994 -9.040 -24.476 1.00 14.13 O ATOM 708 CB GLU A 47 9.460 -8.126 -26.162 1.00 41.34 C ATOM 709 CG GLU A 47 10.051 -7.316 -27.304 1.00 60.03 C ATOM 710 CD GLU A 47 9.424 -7.652 -28.643 1.00 62.34 C ATOM 711 OE1 GLU A 47 8.182 -7.583 -28.750 1.00 53.33 O ATOM 712 OE2 GLU A 47 10.175 -7.985 -29.584 1.00 21.01 O ATOM 0 H GLU A 47 8.208 -10.272 -25.888 1.00 25.55 H new ATOM 0 HA GLU A 47 10.892 -9.624 -26.731 1.00 23.13 H new ATOM 0 HB2 GLU A 47 8.401 -8.294 -26.357 1.00 41.34 H new ATOM 0 HB3 GLU A 47 9.527 -7.545 -25.242 1.00 41.34 H new ATOM 0 HG2 GLU A 47 9.915 -6.254 -27.100 1.00 60.03 H new ATOM 0 HG3 GLU A 47 11.125 -7.496 -27.354 1.00 60.03 H new ATOM 719 N MET A 48 10.171 -10.011 -23.583 1.00 61.42 N ATOM 720 CA MET A 48 10.734 -10.085 -22.240 1.00 20.40 C ATOM 721 C MET A 48 11.932 -11.029 -22.204 1.00 32.33 C ATOM 722 O MET A 48 12.967 -10.711 -21.618 1.00 40.30 O ATOM 723 CB MET A 48 9.671 -10.553 -21.244 1.00 3.35 C ATOM 724 CG MET A 48 9.197 -9.457 -20.302 1.00 61.25 C ATOM 725 SD MET A 48 10.025 -9.511 -18.701 1.00 54.44 S ATOM 726 CE MET A 48 11.735 -9.666 -19.209 1.00 41.24 C ATOM 0 H MET A 48 9.227 -10.387 -23.666 1.00 61.42 H new ATOM 0 HA MET A 48 11.071 -9.087 -21.959 1.00 20.40 H new ATOM 0 HB2 MET A 48 8.815 -10.943 -21.795 1.00 3.35 H new ATOM 0 HB3 MET A 48 10.074 -11.378 -20.656 1.00 3.35 H new ATOM 0 HG2 MET A 48 9.371 -8.485 -20.764 1.00 61.25 H new ATOM 0 HG3 MET A 48 8.121 -9.551 -20.154 1.00 61.25 H new ATOM 0 HE1 MET A 48 12.387 -9.429 -18.368 1.00 41.24 H new ATOM 0 HE2 MET A 48 11.925 -10.687 -19.539 1.00 41.24 H new ATOM 0 HE3 MET A 48 11.935 -8.976 -20.029 1.00 41.24 H new ATOM 736 N ILE A 49 11.784 -12.190 -22.832 1.00 75.53 N ATOM 737 CA ILE A 49 12.854 -13.179 -22.872 1.00 32.21 C ATOM 738 C ILE A 49 14.000 -12.714 -23.764 1.00 12.54 C ATOM 739 O ILE A 49 15.155 -13.083 -23.551 1.00 12.21 O ATOM 740 CB ILE A 49 12.344 -14.541 -23.380 1.00 12.13 C ATOM 741 CG1 ILE A 49 11.127 -14.989 -22.568 1.00 75.01 C ATOM 742 CG2 ILE A 49 13.450 -15.582 -23.304 1.00 62.43 C ATOM 743 CD1 ILE A 49 10.450 -16.222 -23.125 1.00 13.10 C ATOM 0 H ILE A 49 10.933 -12.469 -23.320 1.00 75.53 H new ATOM 0 HA ILE A 49 13.215 -13.293 -21.850 1.00 32.21 H new ATOM 0 HB ILE A 49 12.043 -14.434 -24.422 1.00 12.13 H new ATOM 0 HG12 ILE A 49 11.438 -15.187 -21.542 1.00 75.01 H new ATOM 0 HG13 ILE A 49 10.405 -14.173 -22.531 1.00 75.01 H new ATOM 0 HG21 ILE A 49 13.074 -16.539 -23.666 1.00 62.43 H new ATOM 0 HG22 ILE A 49 14.291 -15.265 -23.921 1.00 62.43 H new ATOM 0 HG23 ILE A 49 13.779 -15.689 -22.270 1.00 62.43 H new ATOM 0 HD11 ILE A 49 9.596 -16.482 -22.500 1.00 13.10 H new ATOM 0 HD12 ILE A 49 10.108 -16.022 -24.141 1.00 13.10 H new ATOM 0 HD13 ILE A 49 11.157 -17.051 -23.137 1.00 13.10 H new ATOM 755 N ARG A 50 13.672 -11.899 -24.761 1.00 64.15 N ATOM 756 CA ARG A 50 14.674 -11.382 -25.686 1.00 4.15 C ATOM 757 C ARG A 50 15.777 -10.641 -24.934 1.00 34.54 C ATOM 758 O ARG A 50 16.942 -10.679 -25.327 1.00 51.32 O ATOM 759 CB ARG A 50 14.023 -10.448 -26.707 1.00 41.21 C ATOM 760 CG ARG A 50 14.847 -10.257 -27.970 1.00 20.00 C ATOM 761 CD ARG A 50 13.994 -9.745 -29.120 1.00 34.31 C ATOM 762 NE ARG A 50 14.665 -9.894 -30.408 1.00 43.42 N ATOM 763 CZ ARG A 50 14.869 -11.065 -31.000 1.00 71.23 C ATOM 764 NH1 ARG A 50 14.454 -12.184 -30.423 1.00 24.41 N ATOM 765 NH2 ARG A 50 15.488 -11.119 -32.173 1.00 12.32 N ATOM 0 H ARG A 50 12.721 -11.582 -24.949 1.00 64.15 H new ATOM 0 HA ARG A 50 15.119 -12.228 -26.210 1.00 4.15 H new ATOM 0 HB2 ARG A 50 13.045 -10.845 -26.978 1.00 41.21 H new ATOM 0 HB3 ARG A 50 13.855 -9.476 -26.243 1.00 41.21 H new ATOM 0 HG2 ARG A 50 15.656 -9.553 -27.775 1.00 20.00 H new ATOM 0 HG3 ARG A 50 15.308 -11.204 -28.251 1.00 20.00 H new ATOM 0 HD2 ARG A 50 13.048 -10.287 -29.139 1.00 34.31 H new ATOM 0 HD3 ARG A 50 13.756 -8.694 -28.955 1.00 34.31 H new ATOM 0 HE ARG A 50 14.995 -9.052 -30.879 1.00 43.42 H new ATOM 0 HH11 ARG A 50 13.977 -12.147 -29.522 1.00 24.41 H new ATOM 0 HH12 ARG A 50 14.612 -13.082 -30.880 1.00 24.41 H new ATOM 0 HH21 ARG A 50 15.808 -10.260 -32.621 1.00 12.32 H new ATOM 0 HH22 ARG A 50 15.644 -12.019 -32.626 1.00 12.32 H new ATOM 779 N GLU A 51 15.399 -9.969 -23.851 1.00 33.54 N ATOM 780 CA GLU A 51 16.355 -9.220 -23.045 1.00 44.43 C ATOM 781 C GLU A 51 16.958 -10.101 -21.955 1.00 63.34 C ATOM 782 O GLU A 51 18.178 -10.182 -21.812 1.00 32.42 O ATOM 783 CB GLU A 51 15.680 -8.000 -22.414 1.00 73.34 C ATOM 784 CG GLU A 51 15.764 -6.747 -23.270 1.00 33.31 C ATOM 785 CD GLU A 51 17.004 -5.925 -22.980 1.00 64.11 C ATOM 786 OE1 GLU A 51 17.039 -5.256 -21.926 1.00 51.00 O ATOM 787 OE2 GLU A 51 17.940 -5.950 -23.807 1.00 30.35 O ATOM 0 H GLU A 51 14.438 -9.928 -23.512 1.00 33.54 H new ATOM 0 HA GLU A 51 17.158 -8.884 -23.701 1.00 44.43 H new ATOM 0 HB2 GLU A 51 14.632 -8.232 -22.226 1.00 73.34 H new ATOM 0 HB3 GLU A 51 16.141 -7.800 -21.446 1.00 73.34 H new ATOM 0 HG2 GLU A 51 15.758 -7.030 -24.323 1.00 33.31 H new ATOM 0 HG3 GLU A 51 14.879 -6.135 -23.099 1.00 33.31 H new ATOM 794 N ALA A 52 16.094 -10.760 -21.190 1.00 3.53 N ATOM 795 CA ALA A 52 16.540 -11.636 -20.114 1.00 24.10 C ATOM 796 C ALA A 52 17.017 -12.977 -20.661 1.00 21.41 C ATOM 797 O ALA A 52 16.482 -14.028 -20.307 1.00 72.34 O ATOM 798 CB ALA A 52 15.422 -11.843 -19.104 1.00 33.42 C ATOM 0 H ALA A 52 15.081 -10.704 -21.296 1.00 3.53 H new ATOM 0 HA ALA A 52 17.382 -11.157 -19.614 1.00 24.10 H new ATOM 0 HB1 ALA A 52 15.769 -12.499 -18.306 1.00 33.42 H new ATOM 0 HB2 ALA A 52 15.130 -10.881 -18.682 1.00 33.42 H new ATOM 0 HB3 ALA A 52 14.564 -12.297 -19.599 1.00 33.42 H new ATOM 804 N ASP A 53 18.025 -12.934 -21.525 1.00 22.02 N ATOM 805 CA ASP A 53 18.574 -14.147 -22.121 1.00 4.45 C ATOM 806 C ASP A 53 19.802 -13.828 -22.968 1.00 50.31 C ATOM 807 O ASP A 53 20.053 -14.478 -23.983 1.00 63.11 O ATOM 808 CB ASP A 53 17.516 -14.845 -22.976 1.00 11.40 C ATOM 809 CG ASP A 53 17.706 -16.348 -23.019 1.00 72.12 C ATOM 810 OD1 ASP A 53 18.866 -16.797 -23.131 1.00 20.01 O ATOM 811 OD2 ASP A 53 16.694 -17.076 -22.940 1.00 43.14 O ATOM 0 H ASP A 53 18.479 -12.072 -21.829 1.00 22.02 H new ATOM 0 HA ASP A 53 18.875 -14.815 -21.314 1.00 4.45 H new ATOM 0 HB2 ASP A 53 16.526 -14.618 -22.581 1.00 11.40 H new ATOM 0 HB3 ASP A 53 17.553 -14.448 -23.990 1.00 11.40 H new ATOM 816 N ILE A 54 20.562 -12.823 -22.545 1.00 53.04 N ATOM 817 CA ILE A 54 21.763 -12.418 -23.266 1.00 34.43 C ATOM 818 C ILE A 54 21.452 -12.121 -24.729 1.00 21.22 C ATOM 819 O ILE A 54 21.988 -12.765 -25.631 1.00 1.10 O ATOM 820 CB ILE A 54 22.854 -13.503 -23.194 1.00 41.42 C ATOM 821 CG1 ILE A 54 23.026 -13.990 -21.754 1.00 43.40 C ATOM 822 CG2 ILE A 54 24.170 -12.966 -23.739 1.00 34.43 C ATOM 823 CD1 ILE A 54 23.437 -12.897 -20.792 1.00 22.22 C ATOM 0 H ILE A 54 20.368 -12.275 -21.707 1.00 53.04 H new ATOM 0 HA ILE A 54 22.131 -11.512 -22.785 1.00 34.43 H new ATOM 0 HB ILE A 54 22.546 -14.349 -23.808 1.00 41.42 H new ATOM 0 HG12 ILE A 54 22.089 -14.429 -21.413 1.00 43.40 H new ATOM 0 HG13 ILE A 54 23.775 -14.782 -21.734 1.00 43.40 H new ATOM 0 HG21 ILE A 54 24.932 -13.744 -23.682 1.00 34.43 H new ATOM 0 HG22 ILE A 54 24.037 -12.664 -24.778 1.00 34.43 H new ATOM 0 HG23 ILE A 54 24.485 -12.106 -23.148 1.00 34.43 H new ATOM 0 HD11 ILE A 54 23.540 -13.314 -19.790 1.00 22.22 H new ATOM 0 HD12 ILE A 54 24.390 -12.473 -21.109 1.00 22.22 H new ATOM 0 HD13 ILE A 54 22.677 -12.115 -20.783 1.00 22.22 H new ATOM 835 N ASP A 55 20.585 -11.141 -24.956 1.00 74.24 N ATOM 836 CA ASP A 55 20.204 -10.756 -26.310 1.00 44.35 C ATOM 837 C ASP A 55 19.755 -11.971 -27.115 1.00 71.14 C ATOM 838 O ASP A 55 20.557 -12.609 -27.796 1.00 22.13 O ATOM 839 CB ASP A 55 21.374 -10.066 -27.015 1.00 30.23 C ATOM 840 CG ASP A 55 22.134 -9.131 -26.095 1.00 13.04 C ATOM 841 OD1 ASP A 55 21.497 -8.236 -25.501 1.00 75.21 O ATOM 842 OD2 ASP A 55 23.366 -9.293 -25.969 1.00 32.32 O ATOM 0 H ASP A 55 20.133 -10.599 -24.220 1.00 74.24 H new ATOM 0 HA ASP A 55 19.368 -10.059 -26.241 1.00 44.35 H new ATOM 0 HB2 ASP A 55 22.056 -10.822 -27.405 1.00 30.23 H new ATOM 0 HB3 ASP A 55 20.999 -9.504 -27.870 1.00 30.23 H new ATOM 847 N GLY A 56 18.466 -12.286 -27.032 1.00 31.41 N ATOM 848 CA GLY A 56 17.932 -13.425 -27.756 1.00 62.03 C ATOM 849 C GLY A 56 17.258 -14.429 -26.843 1.00 31.23 C ATOM 850 O GLY A 56 16.477 -14.056 -25.967 1.00 42.52 O ATOM 0 H GLY A 56 17.782 -11.773 -26.476 1.00 31.41 H new ATOM 0 HA2 GLY A 56 17.215 -13.076 -28.499 1.00 62.03 H new ATOM 0 HA3 GLY A 56 18.739 -13.917 -28.299 1.00 62.03 H new ATOM 854 N ASP A 57 17.558 -15.707 -27.047 1.00 73.02 N ATOM 855 CA ASP A 57 16.974 -16.769 -26.235 1.00 43.33 C ATOM 856 C ASP A 57 17.997 -17.866 -25.960 1.00 21.52 C ATOM 857 O ASP A 57 19.028 -17.949 -26.626 1.00 23.55 O ATOM 858 CB ASP A 57 15.749 -17.360 -26.934 1.00 40.33 C ATOM 859 CG ASP A 57 14.490 -17.234 -26.100 1.00 15.30 C ATOM 860 OD1 ASP A 57 14.457 -17.797 -24.985 1.00 52.25 O ATOM 861 OD2 ASP A 57 13.537 -16.571 -26.561 1.00 72.40 O ATOM 0 H ASP A 57 18.202 -16.033 -27.768 1.00 73.02 H new ATOM 0 HA ASP A 57 16.665 -16.337 -25.283 1.00 43.33 H new ATOM 0 HB2 ASP A 57 15.601 -16.856 -27.889 1.00 40.33 H new ATOM 0 HB3 ASP A 57 15.932 -18.412 -27.154 1.00 40.33 H new ATOM 866 N GLY A 58 17.704 -18.707 -24.972 1.00 70.43 N ATOM 867 CA GLY A 58 18.608 -19.788 -24.625 1.00 63.02 C ATOM 868 C GLY A 58 18.644 -20.058 -23.134 1.00 73.01 C ATOM 869 O GLY A 58 17.636 -20.446 -22.544 1.00 21.13 O ATOM 0 H GLY A 58 16.857 -18.659 -24.406 1.00 70.43 H new ATOM 0 HA2 GLY A 58 18.303 -20.694 -25.148 1.00 63.02 H new ATOM 0 HA3 GLY A 58 19.612 -19.543 -24.971 1.00 63.02 H new ATOM 873 N GLN A 59 19.807 -19.854 -22.525 1.00 2.12 N ATOM 874 CA GLN A 59 19.970 -20.081 -21.094 1.00 15.44 C ATOM 875 C GLN A 59 20.002 -18.759 -20.333 1.00 54.23 C ATOM 876 O GLN A 59 20.818 -17.884 -20.623 1.00 14.20 O ATOM 877 CB GLN A 59 21.252 -20.869 -20.823 1.00 32.50 C ATOM 878 CG GLN A 59 21.024 -22.364 -20.663 1.00 3.01 C ATOM 879 CD GLN A 59 22.227 -23.186 -21.082 1.00 43.42 C ATOM 880 OE1 GLN A 59 23.372 -22.767 -20.906 1.00 53.52 O ATOM 881 NE2 GLN A 59 21.974 -24.364 -21.640 1.00 45.34 N ATOM 0 H GLN A 59 20.650 -19.532 -23.000 1.00 2.12 H new ATOM 0 HA GLN A 59 19.115 -20.660 -20.745 1.00 15.44 H new ATOM 0 HB2 GLN A 59 21.951 -20.702 -21.642 1.00 32.50 H new ATOM 0 HB3 GLN A 59 21.722 -20.483 -19.919 1.00 32.50 H new ATOM 0 HG2 GLN A 59 20.785 -22.582 -19.622 1.00 3.01 H new ATOM 0 HG3 GLN A 59 20.160 -22.662 -21.258 1.00 3.01 H new ATOM 0 HE21 GLN A 59 21.010 -24.672 -21.767 1.00 45.34 H new ATOM 0 HE22 GLN A 59 22.744 -24.961 -21.942 1.00 45.34 H new ATOM 890 N VAL A 60 19.108 -18.620 -19.359 1.00 71.31 N ATOM 891 CA VAL A 60 19.034 -17.405 -18.556 1.00 62.43 C ATOM 892 C VAL A 60 19.829 -17.552 -17.264 1.00 12.05 C ATOM 893 O VAL A 60 19.861 -18.624 -16.661 1.00 15.11 O ATOM 894 CB VAL A 60 17.576 -17.048 -18.212 1.00 42.31 C ATOM 895 CG1 VAL A 60 17.504 -15.680 -17.550 1.00 73.03 C ATOM 896 CG2 VAL A 60 16.708 -17.091 -19.461 1.00 23.53 C ATOM 0 H VAL A 60 18.425 -19.334 -19.107 1.00 71.31 H new ATOM 0 HA VAL A 60 19.465 -16.602 -19.155 1.00 62.43 H new ATOM 0 HB VAL A 60 17.195 -17.787 -17.507 1.00 42.31 H new ATOM 0 HG11 VAL A 60 16.466 -15.444 -17.314 1.00 73.03 H new ATOM 0 HG12 VAL A 60 18.092 -15.689 -16.632 1.00 73.03 H new ATOM 0 HG13 VAL A 60 17.902 -14.926 -18.229 1.00 73.03 H new ATOM 0 HG21 VAL A 60 15.681 -16.836 -19.199 1.00 23.53 H new ATOM 0 HG22 VAL A 60 17.085 -16.375 -20.191 1.00 23.53 H new ATOM 0 HG23 VAL A 60 16.735 -18.093 -19.889 1.00 23.53 H new ATOM 906 N ASN A 61 20.469 -16.466 -16.843 1.00 24.12 N ATOM 907 CA ASN A 61 21.265 -16.474 -15.620 1.00 51.54 C ATOM 908 C ASN A 61 20.387 -16.221 -14.398 1.00 71.15 C ATOM 909 O ASN A 61 19.592 -15.281 -14.376 1.00 20.13 O ATOM 910 CB ASN A 61 22.367 -15.415 -15.698 1.00 71.00 C ATOM 911 CG ASN A 61 23.356 -15.691 -16.814 1.00 22.13 C ATOM 912 OD1 ASN A 61 23.215 -16.662 -17.558 1.00 13.41 O ATOM 913 ND2 ASN A 61 24.365 -14.836 -16.934 1.00 64.44 N ATOM 0 H ASN A 61 20.452 -15.570 -17.330 1.00 24.12 H new ATOM 0 HA ASN A 61 21.722 -17.458 -15.519 1.00 51.54 H new ATOM 0 HB2 ASN A 61 21.915 -14.435 -15.851 1.00 71.00 H new ATOM 0 HB3 ASN A 61 22.898 -15.376 -14.747 1.00 71.00 H new ATOM 0 HD21 ASN A 61 25.063 -14.970 -17.666 1.00 64.44 H new ATOM 0 HD22 ASN A 61 24.442 -14.045 -16.295 1.00 64.44 H new ATOM 920 N TYR A 62 20.537 -17.066 -13.385 1.00 11.04 N ATOM 921 CA TYR A 62 19.757 -16.936 -12.160 1.00 32.04 C ATOM 922 C TYR A 62 20.031 -15.599 -11.478 1.00 42.23 C ATOM 923 O TYR A 62 19.105 -14.880 -11.104 1.00 5.04 O ATOM 924 CB TYR A 62 20.078 -18.084 -11.202 1.00 33.54 C ATOM 925 CG TYR A 62 19.503 -17.895 -9.816 1.00 25.33 C ATOM 926 CD1 TYR A 62 18.206 -17.432 -9.637 1.00 73.50 C ATOM 927 CD2 TYR A 62 20.259 -18.180 -8.685 1.00 32.53 C ATOM 928 CE1 TYR A 62 17.678 -17.257 -8.373 1.00 35.53 C ATOM 929 CE2 TYR A 62 19.738 -18.010 -7.416 1.00 42.25 C ATOM 930 CZ TYR A 62 18.447 -17.548 -7.266 1.00 5.34 C ATOM 931 OH TYR A 62 17.924 -17.376 -6.004 1.00 64.05 O ATOM 0 H TYR A 62 21.191 -17.848 -13.387 1.00 11.04 H new ATOM 0 HA TYR A 62 18.701 -16.978 -12.427 1.00 32.04 H new ATOM 0 HB2 TYR A 62 19.695 -19.014 -11.622 1.00 33.54 H new ATOM 0 HB3 TYR A 62 21.160 -18.191 -11.126 1.00 33.54 H new ATOM 0 HD1 TYR A 62 17.600 -17.205 -10.501 1.00 73.50 H new ATOM 0 HD2 TYR A 62 21.271 -18.540 -8.800 1.00 32.53 H new ATOM 0 HE1 TYR A 62 16.668 -16.894 -8.252 1.00 35.53 H new ATOM 0 HE2 TYR A 62 20.338 -18.238 -6.547 1.00 42.25 H new ATOM 0 HH TYR A 62 17.324 -18.122 -5.794 1.00 64.05 H new ATOM 941 N GLU A 63 21.311 -15.273 -11.322 1.00 55.15 N ATOM 942 CA GLU A 63 21.707 -14.022 -10.686 1.00 65.33 C ATOM 943 C GLU A 63 21.077 -12.827 -11.395 1.00 72.11 C ATOM 944 O GLU A 63 20.427 -11.992 -10.767 1.00 14.51 O ATOM 945 CB GLU A 63 23.231 -13.884 -10.688 1.00 64.54 C ATOM 946 CG GLU A 63 23.920 -14.725 -9.626 1.00 60.04 C ATOM 947 CD GLU A 63 25.049 -15.566 -10.190 1.00 31.44 C ATOM 948 OE1 GLU A 63 25.886 -15.015 -10.935 1.00 34.33 O ATOM 949 OE2 GLU A 63 25.095 -16.777 -9.884 1.00 41.44 O ATOM 0 H GLU A 63 22.090 -15.857 -11.627 1.00 55.15 H new ATOM 0 HA GLU A 63 21.351 -14.040 -9.656 1.00 65.33 H new ATOM 0 HB2 GLU A 63 23.612 -14.169 -11.669 1.00 64.54 H new ATOM 0 HB3 GLU A 63 23.493 -12.837 -10.536 1.00 64.54 H new ATOM 0 HG2 GLU A 63 24.313 -14.071 -8.848 1.00 60.04 H new ATOM 0 HG3 GLU A 63 23.187 -15.378 -9.153 1.00 60.04 H new ATOM 956 N ASP A 64 21.274 -12.753 -12.707 1.00 24.14 N ATOM 957 CA ASP A 64 20.725 -11.661 -13.502 1.00 62.22 C ATOM 958 C ASP A 64 19.230 -11.501 -13.246 1.00 71.02 C ATOM 959 O ASP A 64 18.767 -10.427 -12.863 1.00 14.32 O ATOM 960 CB ASP A 64 20.977 -11.909 -14.990 1.00 71.23 C ATOM 961 CG ASP A 64 22.452 -11.894 -15.338 1.00 43.34 C ATOM 962 OD1 ASP A 64 23.269 -11.577 -14.448 1.00 21.31 O ATOM 963 OD2 ASP A 64 22.790 -12.199 -16.501 1.00 4.20 O ATOM 0 H ASP A 64 21.810 -13.436 -13.242 1.00 24.14 H new ATOM 0 HA ASP A 64 21.226 -10.740 -13.205 1.00 62.22 H new ATOM 0 HB2 ASP A 64 20.550 -12.871 -15.272 1.00 71.23 H new ATOM 0 HB3 ASP A 64 20.461 -11.147 -15.575 1.00 71.23 H new ATOM 968 N PHE A 65 18.479 -12.576 -13.462 1.00 24.31 N ATOM 969 CA PHE A 65 17.036 -12.555 -13.257 1.00 12.34 C ATOM 970 C PHE A 65 16.691 -12.013 -11.872 1.00 63.13 C ATOM 971 O PHE A 65 15.640 -11.403 -11.676 1.00 22.12 O ATOM 972 CB PHE A 65 16.454 -13.960 -13.426 1.00 41.32 C ATOM 973 CG PHE A 65 15.131 -13.979 -14.137 1.00 20.02 C ATOM 974 CD1 PHE A 65 15.070 -13.890 -15.518 1.00 62.22 C ATOM 975 CD2 PHE A 65 13.948 -14.085 -13.423 1.00 60.53 C ATOM 976 CE1 PHE A 65 13.854 -13.908 -16.175 1.00 63.13 C ATOM 977 CE2 PHE A 65 12.729 -14.104 -14.075 1.00 24.30 C ATOM 978 CZ PHE A 65 12.682 -14.014 -15.452 1.00 63.25 C ATOM 0 H PHE A 65 18.847 -13.473 -13.779 1.00 24.31 H new ATOM 0 HA PHE A 65 16.598 -11.895 -14.006 1.00 12.34 H new ATOM 0 HB2 PHE A 65 17.164 -14.575 -13.980 1.00 41.32 H new ATOM 0 HB3 PHE A 65 16.336 -14.416 -12.443 1.00 41.32 H new ATOM 0 HD1 PHE A 65 15.983 -13.806 -16.088 1.00 62.22 H new ATOM 0 HD2 PHE A 65 13.979 -14.154 -12.346 1.00 60.53 H new ATOM 0 HE1 PHE A 65 13.820 -13.839 -17.252 1.00 63.13 H new ATOM 0 HE2 PHE A 65 11.814 -14.189 -13.508 1.00 24.30 H new ATOM 0 HZ PHE A 65 11.731 -14.026 -15.963 1.00 63.25 H new ATOM 988 N VAL A 66 17.585 -12.241 -10.915 1.00 32.41 N ATOM 989 CA VAL A 66 17.377 -11.777 -9.549 1.00 11.43 C ATOM 990 C VAL A 66 17.746 -10.304 -9.407 1.00 21.31 C ATOM 991 O VAL A 66 17.127 -9.571 -8.636 1.00 63.21 O ATOM 992 CB VAL A 66 18.203 -12.601 -8.544 1.00 3.24 C ATOM 993 CG1 VAL A 66 18.006 -12.074 -7.130 1.00 51.25 C ATOM 994 CG2 VAL A 66 17.831 -14.073 -8.629 1.00 61.32 C ATOM 0 H VAL A 66 18.460 -12.744 -11.061 1.00 32.41 H new ATOM 0 HA VAL A 66 16.317 -11.906 -9.329 1.00 11.43 H new ATOM 0 HB VAL A 66 19.258 -12.501 -8.800 1.00 3.24 H new ATOM 0 HG11 VAL A 66 18.598 -12.669 -6.434 1.00 51.25 H new ATOM 0 HG12 VAL A 66 18.327 -11.033 -7.082 1.00 51.25 H new ATOM 0 HG13 VAL A 66 16.952 -12.142 -6.860 1.00 51.25 H new ATOM 0 HG21 VAL A 66 18.424 -14.640 -7.912 1.00 61.32 H new ATOM 0 HG22 VAL A 66 16.772 -14.194 -8.400 1.00 61.32 H new ATOM 0 HG23 VAL A 66 18.029 -14.441 -9.636 1.00 61.32 H new ATOM 1004 N GLN A 67 18.758 -9.879 -10.156 1.00 51.23 N ATOM 1005 CA GLN A 67 19.210 -8.493 -10.114 1.00 34.05 C ATOM 1006 C GLN A 67 18.088 -7.542 -10.518 1.00 33.14 C ATOM 1007 O GLN A 67 17.832 -6.546 -9.842 1.00 44.32 O ATOM 1008 CB GLN A 67 20.415 -8.299 -11.035 1.00 3.24 C ATOM 1009 CG GLN A 67 21.316 -7.145 -10.623 1.00 32.30 C ATOM 1010 CD GLN A 67 21.045 -5.882 -11.416 1.00 42.00 C ATOM 1011 OE1 GLN A 67 19.894 -5.492 -11.610 1.00 14.41 O ATOM 1012 NE2 GLN A 67 22.108 -5.235 -11.880 1.00 10.34 N ATOM 0 H GLN A 67 19.280 -10.474 -10.799 1.00 51.23 H new ATOM 0 HA GLN A 67 19.504 -8.264 -9.090 1.00 34.05 H new ATOM 0 HB2 GLN A 67 21.001 -9.218 -11.052 1.00 3.24 H new ATOM 0 HB3 GLN A 67 20.061 -8.128 -12.052 1.00 3.24 H new ATOM 0 HG2 GLN A 67 21.176 -6.940 -9.562 1.00 32.30 H new ATOM 0 HG3 GLN A 67 22.358 -7.437 -10.756 1.00 32.30 H new ATOM 0 HE21 GLN A 67 23.045 -5.594 -11.695 1.00 10.34 H new ATOM 0 HE22 GLN A 67 21.988 -4.379 -12.421 1.00 10.34 H new ATOM 1021 N MET A 68 17.421 -7.857 -11.624 1.00 5.04 N ATOM 1022 CA MET A 68 16.326 -7.030 -12.117 1.00 20.31 C ATOM 1023 C MET A 68 15.138 -7.075 -11.161 1.00 3.42 C ATOM 1024 O MET A 68 14.399 -6.100 -11.029 1.00 41.43 O ATOM 1025 CB MET A 68 15.893 -7.497 -13.508 1.00 43.32 C ATOM 1026 CG MET A 68 16.629 -6.797 -14.640 1.00 20.43 C ATOM 1027 SD MET A 68 17.541 -7.945 -15.689 1.00 63.21 S ATOM 1028 CE MET A 68 17.216 -7.254 -17.309 1.00 62.33 C ATOM 0 H MET A 68 17.620 -8.678 -12.195 1.00 5.04 H new ATOM 0 HA MET A 68 16.680 -6.001 -12.180 1.00 20.31 H new ATOM 0 HB2 MET A 68 16.056 -8.572 -13.589 1.00 43.32 H new ATOM 0 HB3 MET A 68 14.822 -7.328 -13.622 1.00 43.32 H new ATOM 0 HG2 MET A 68 15.912 -6.246 -15.249 1.00 20.43 H new ATOM 0 HG3 MET A 68 17.320 -6.066 -14.221 1.00 20.43 H new ATOM 0 HE1 MET A 68 17.715 -7.856 -18.068 1.00 62.33 H new ATOM 0 HE2 MET A 68 16.142 -7.253 -17.495 1.00 62.33 H new ATOM 0 HE3 MET A 68 17.593 -6.232 -17.351 1.00 62.33 H new ATOM 1038 N MET A 69 14.962 -8.212 -10.496 1.00 54.20 N ATOM 1039 CA MET A 69 13.864 -8.382 -9.551 1.00 54.44 C ATOM 1040 C MET A 69 14.013 -7.432 -8.367 1.00 43.54 C ATOM 1041 O MET A 69 13.024 -7.008 -7.768 1.00 61.05 O ATOM 1042 CB MET A 69 13.808 -9.828 -9.056 1.00 11.11 C ATOM 1043 CG MET A 69 12.614 -10.606 -9.585 1.00 62.11 C ATOM 1044 SD MET A 69 12.564 -10.660 -11.387 1.00 33.24 S ATOM 1045 CE MET A 69 11.071 -9.726 -11.712 1.00 14.24 C ATOM 0 H MET A 69 15.565 -9.029 -10.594 1.00 54.20 H new ATOM 0 HA MET A 69 12.934 -8.146 -10.068 1.00 54.44 H new ATOM 0 HB2 MET A 69 14.724 -10.340 -9.351 1.00 11.11 H new ATOM 0 HB3 MET A 69 13.778 -9.829 -7.966 1.00 11.11 H new ATOM 0 HG2 MET A 69 12.647 -11.624 -9.196 1.00 62.11 H new ATOM 0 HG3 MET A 69 11.696 -10.152 -9.213 1.00 62.11 H new ATOM 0 HE1 MET A 69 11.139 -9.263 -12.696 1.00 14.24 H new ATOM 0 HE2 MET A 69 10.210 -10.394 -11.684 1.00 14.24 H new ATOM 0 HE3 MET A 69 10.954 -8.952 -10.954 1.00 14.24 H new ATOM 1055 N THR A 70 15.257 -7.100 -8.034 1.00 12.12 N ATOM 1056 CA THR A 70 15.536 -6.201 -6.921 1.00 33.43 C ATOM 1057 C THR A 70 15.115 -4.773 -7.248 1.00 62.32 C ATOM 1058 O THR A 70 14.480 -4.101 -6.436 1.00 23.41 O ATOM 1059 CB THR A 70 17.031 -6.212 -6.551 1.00 61.21 C ATOM 1060 OG1 THR A 70 17.664 -7.372 -7.104 1.00 40.51 O ATOM 1061 CG2 THR A 70 17.215 -6.199 -5.041 1.00 64.22 C ATOM 0 H THR A 70 16.087 -7.440 -8.519 1.00 12.12 H new ATOM 0 HA THR A 70 14.957 -6.562 -6.071 1.00 33.43 H new ATOM 0 HB THR A 70 17.492 -5.315 -6.965 1.00 61.21 H new ATOM 0 HG1 THR A 70 17.925 -7.192 -8.031 1.00 40.51 H new ATOM 0 HG21 THR A 70 18.279 -6.207 -4.804 1.00 64.22 H new ATOM 0 HG22 THR A 70 16.758 -5.301 -4.626 1.00 64.22 H new ATOM 0 HG23 THR A 70 16.740 -7.080 -4.609 1.00 64.22 H new ATOM 1069 N ALA A 71 15.473 -4.316 -8.444 1.00 14.54 N ATOM 1070 CA ALA A 71 15.129 -2.968 -8.879 1.00 44.43 C ATOM 1071 C ALA A 71 14.734 -2.951 -10.352 1.00 11.41 C ATOM 1072 O ALA A 71 15.555 -3.217 -11.229 1.00 43.15 O ATOM 1073 CB ALA A 71 16.295 -2.021 -8.633 1.00 14.42 C ATOM 0 H ALA A 71 16.000 -4.859 -9.128 1.00 14.54 H new ATOM 0 HA ALA A 71 14.272 -2.632 -8.296 1.00 44.43 H new ATOM 0 HB1 ALA A 71 16.025 -1.018 -8.962 1.00 14.42 H new ATOM 0 HB2 ALA A 71 16.530 -2.002 -7.569 1.00 14.42 H new ATOM 0 HB3 ALA A 71 17.166 -2.364 -9.191 1.00 14.42 H new ATOM 1079 N LYS A 72 13.470 -2.637 -10.617 1.00 3.53 N ATOM 1080 CA LYS A 72 12.965 -2.584 -11.983 1.00 74.13 C ATOM 1081 C LYS A 72 12.035 -1.390 -12.174 1.00 42.31 C ATOM 1082 O LYS A 72 11.324 -1.026 -11.239 1.00 11.40 O ATOM 1083 CB LYS A 72 12.225 -3.879 -12.325 1.00 73.32 C ATOM 1084 CG LYS A 72 10.970 -4.100 -11.498 1.00 50.51 C ATOM 1085 CD LYS A 72 9.714 -3.958 -12.342 1.00 20.34 C ATOM 1086 CE LYS A 72 9.559 -5.121 -13.310 1.00 45.21 C ATOM 1087 NZ LYS A 72 8.133 -5.363 -13.663 1.00 41.11 N ATOM 0 H LYS A 72 12.777 -2.415 -9.903 1.00 3.53 H new ATOM 0 HA LYS A 72 13.816 -2.470 -12.654 1.00 74.13 H new ATOM 0 HB2 LYS A 72 11.956 -3.866 -13.381 1.00 73.32 H new ATOM 0 HB3 LYS A 72 12.900 -4.722 -12.178 1.00 73.32 H new ATOM 0 HG2 LYS A 72 10.998 -5.093 -11.050 1.00 50.51 H new ATOM 0 HG3 LYS A 72 10.942 -3.382 -10.679 1.00 50.51 H new ATOM 0 HD2 LYS A 72 8.841 -3.906 -11.691 1.00 20.34 H new ATOM 0 HD3 LYS A 72 9.753 -3.022 -12.899 1.00 20.34 H new ATOM 0 HE2 LYS A 72 10.128 -4.917 -14.217 1.00 45.21 H new ATOM 0 HE3 LYS A 72 9.981 -6.022 -12.865 1.00 45.21 H new ATOM 0 HZ1 LYS A 72 8.070 -6.163 -14.324 1.00 41.11 H new ATOM 0 HZ2 LYS A 72 7.594 -5.583 -12.801 1.00 41.11 H new ATOM 0 HZ3 LYS A 72 7.737 -4.512 -14.111 1.00 41.11 H new TER 1101 LYS A 72