USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 604 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 Set 1.1: A 45 TYR OH : rot -150:sc= 0.71 USER MOD Set 1.2: A 48 THR OG1 : rot 70:sc= 0.875 USER MOD Set 2.1: A 9 TYR OH : rot -13:sc= 1.23 USER MOD Set 2.2: A 35 TYR OH : rot -30:sc= 0.411 USER MOD Set 3.1: A 6 THR OG1 : rot 95:sc= 0.238 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= 0.354 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0834 (180deg=-0.521) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0839 (180deg=-0.0805) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.514 K(o=-0.51,f=-1.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0468) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0585 USER MOD Single : A 34 THR OG1 : rot 23:sc= 0.247 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -153:sc= 0.171 USER MOD Single : A 54 SER OG : rot 180:sc= -0.104 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.123 K(o=-0.12,f=-3.2!) USER MOD Single : A 75 HIS : no HE2:sc= 0.278 K(o=0.28,f=-0.99) USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= -0.849! (180deg=-2.71!) USER MOD Single : A 78 HIS : no HD1:sc= 0.337 K(o=0.34,f=-1.3) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.446 K(o=0.45,f=-2.6!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.509 21.868 3.916 1.00 45.04 N ATOM 2 CA MET A 1 -4.090 21.962 2.481 1.00 13.11 C ATOM 3 C MET A 1 -4.650 20.781 1.660 1.00 14.20 C ATOM 4 O MET A 1 -5.330 19.917 2.212 1.00 54.31 O ATOM 5 CB MET A 1 -2.542 21.989 2.374 1.00 54.55 C ATOM 6 CG MET A 1 -1.868 23.157 3.097 1.00 41.55 C ATOM 7 SD MET A 1 -0.069 23.169 2.895 1.00 42.12 S ATOM 8 CE MET A 1 0.401 21.569 3.566 1.00 14.12 C ATOM 0 H1 MET A 1 -4.847 22.796 4.240 1.00 45.04 H new ATOM 0 H2 MET A 1 -5.273 21.169 4.009 1.00 45.04 H new ATOM 0 H3 MET A 1 -3.698 21.573 4.496 1.00 45.04 H new ATOM 0 HA MET A 1 -4.495 22.888 2.073 1.00 13.11 H new ATOM 0 HB2 MET A 1 -2.148 21.056 2.776 1.00 54.55 H new ATOM 0 HB3 MET A 1 -2.265 22.024 1.320 1.00 54.55 H new ATOM 0 HG2 MET A 1 -2.277 24.095 2.721 1.00 41.55 H new ATOM 0 HG3 MET A 1 -2.109 23.108 4.159 1.00 41.55 H new ATOM 0 HE1 MET A 1 1.469 21.565 3.782 1.00 14.12 H new ATOM 0 HE2 MET A 1 -0.156 21.382 4.484 1.00 14.12 H new ATOM 0 HE3 MET A 1 0.175 20.789 2.839 1.00 14.12 H new ATOM 20 N ASP A 2 -4.381 20.776 0.330 1.00 71.34 N ATOM 21 CA ASP A 2 -4.665 19.608 -0.543 1.00 14.34 C ATOM 22 C ASP A 2 -3.865 18.389 -0.040 1.00 11.25 C ATOM 23 O ASP A 2 -2.631 18.381 -0.093 1.00 20.21 O ATOM 24 CB ASP A 2 -4.313 19.925 -2.015 1.00 32.44 C ATOM 25 CG ASP A 2 -5.125 21.112 -2.547 1.00 64.24 C ATOM 26 OD1 ASP A 2 -6.333 20.938 -2.830 1.00 33.45 O ATOM 27 OD2 ASP A 2 -4.581 22.230 -2.646 1.00 54.45 O ATOM 0 H ASP A 2 -3.968 21.568 -0.162 1.00 71.34 H new ATOM 0 HA ASP A 2 -5.730 19.380 -0.500 1.00 14.34 H new ATOM 0 HB2 ASP A 2 -3.249 20.146 -2.096 1.00 32.44 H new ATOM 0 HB3 ASP A 2 -4.504 19.047 -2.632 1.00 32.44 H new ATOM 32 N GLU A 3 -4.583 17.372 0.447 1.00 52.31 N ATOM 33 CA GLU A 3 -4.008 16.339 1.324 1.00 64.42 C ATOM 34 C GLU A 3 -3.390 15.182 0.508 1.00 23.41 C ATOM 35 O GLU A 3 -3.975 14.742 -0.477 1.00 43.12 O ATOM 36 CB GLU A 3 -5.120 15.800 2.273 1.00 15.43 C ATOM 37 CG GLU A 3 -4.591 15.250 3.609 1.00 64.41 C ATOM 38 CD GLU A 3 -3.970 16.351 4.498 1.00 75.43 C ATOM 39 OE1 GLU A 3 -4.734 17.083 5.171 1.00 61.04 O ATOM 40 OE2 GLU A 3 -2.730 16.512 4.502 1.00 73.04 O ATOM 0 H GLU A 3 -5.574 17.239 0.248 1.00 52.31 H new ATOM 0 HA GLU A 3 -3.206 16.787 1.911 1.00 64.42 H new ATOM 0 HB2 GLU A 3 -5.829 16.602 2.478 1.00 15.43 H new ATOM 0 HB3 GLU A 3 -5.670 15.011 1.760 1.00 15.43 H new ATOM 0 HG2 GLU A 3 -5.407 14.769 4.149 1.00 64.41 H new ATOM 0 HG3 GLU A 3 -3.843 14.482 3.411 1.00 64.41 H new ATOM 47 N ASP A 4 -2.232 14.667 0.947 1.00 2.23 N ATOM 48 CA ASP A 4 -1.514 13.573 0.247 1.00 35.05 C ATOM 49 C ASP A 4 -1.431 12.303 1.134 1.00 32.33 C ATOM 50 O ASP A 4 -1.087 12.377 2.317 1.00 22.41 O ATOM 51 CB ASP A 4 -0.105 14.061 -0.200 1.00 34.33 C ATOM 52 CG ASP A 4 0.737 14.610 0.965 1.00 15.23 C ATOM 53 OD1 ASP A 4 0.455 15.732 1.433 1.00 62.42 O ATOM 54 OD2 ASP A 4 1.671 13.921 1.428 1.00 40.12 O ATOM 0 H ASP A 4 -1.762 14.990 1.793 1.00 2.23 H new ATOM 0 HA ASP A 4 -2.075 13.299 -0.646 1.00 35.05 H new ATOM 0 HB2 ASP A 4 0.428 13.234 -0.669 1.00 34.33 H new ATOM 0 HB3 ASP A 4 -0.218 14.837 -0.957 1.00 34.33 H new ATOM 59 N ALA A 5 -1.783 11.146 0.537 1.00 54.22 N ATOM 60 CA ALA A 5 -1.673 9.817 1.179 1.00 12.44 C ATOM 61 C ALA A 5 -0.650 8.960 0.407 1.00 64.30 C ATOM 62 O ALA A 5 -0.722 8.855 -0.824 1.00 24.45 O ATOM 63 CB ALA A 5 -3.043 9.126 1.225 1.00 22.11 C ATOM 0 H ALA A 5 -2.155 11.106 -0.412 1.00 54.22 H new ATOM 0 HA ALA A 5 -1.329 9.940 2.206 1.00 12.44 H new ATOM 0 HB1 ALA A 5 -2.943 8.150 1.700 1.00 22.11 H new ATOM 0 HB2 ALA A 5 -3.740 9.738 1.797 1.00 22.11 H new ATOM 0 HB3 ALA A 5 -3.420 8.998 0.210 1.00 22.11 H new ATOM 69 N THR A 6 0.300 8.351 1.132 1.00 15.34 N ATOM 70 CA THR A 6 1.435 7.620 0.522 1.00 72.02 C ATOM 71 C THR A 6 1.338 6.093 0.777 1.00 53.34 C ATOM 72 O THR A 6 0.947 5.648 1.858 1.00 42.33 O ATOM 73 CB THR A 6 2.800 8.191 1.039 1.00 31.14 C ATOM 74 OG1 THR A 6 3.880 7.604 0.321 1.00 71.44 O ATOM 75 CG2 THR A 6 3.019 7.983 2.552 1.00 14.51 C ATOM 0 H THR A 6 0.309 8.347 2.152 1.00 15.34 H new ATOM 0 HA THR A 6 1.385 7.771 -0.556 1.00 72.02 H new ATOM 0 HB THR A 6 2.765 9.267 0.866 1.00 31.14 H new ATOM 0 HG1 THR A 6 4.131 8.186 -0.427 1.00 71.44 H new ATOM 0 HG21 THR A 6 3.983 8.402 2.841 1.00 14.51 H new ATOM 0 HG22 THR A 6 2.225 8.483 3.107 1.00 14.51 H new ATOM 0 HG23 THR A 6 3.004 6.917 2.779 1.00 14.51 H new ATOM 83 N ILE A 7 1.673 5.298 -0.257 1.00 61.12 N ATOM 84 CA ILE A 7 1.624 3.818 -0.212 1.00 4.52 C ATOM 85 C ILE A 7 3.069 3.257 -0.268 1.00 20.22 C ATOM 86 O ILE A 7 3.731 3.323 -1.312 1.00 54.44 O ATOM 87 CB ILE A 7 0.759 3.172 -1.381 1.00 61.24 C ATOM 88 CG1 ILE A 7 -0.723 3.715 -1.410 1.00 14.51 C ATOM 89 CG2 ILE A 7 0.756 1.616 -1.257 1.00 30.14 C ATOM 90 CD1 ILE A 7 -0.914 5.105 -2.017 1.00 45.31 C ATOM 0 H ILE A 7 1.988 5.664 -1.155 1.00 61.12 H new ATOM 0 HA ILE A 7 1.133 3.548 0.723 1.00 4.52 H new ATOM 0 HB ILE A 7 1.228 3.464 -2.321 1.00 61.24 H new ATOM 0 HG12 ILE A 7 -1.337 3.009 -1.968 1.00 14.51 H new ATOM 0 HG13 ILE A 7 -1.104 3.730 -0.389 1.00 14.51 H new ATOM 0 HG21 ILE A 7 0.160 1.188 -2.063 1.00 30.14 H new ATOM 0 HG22 ILE A 7 1.778 1.244 -1.324 1.00 30.14 H new ATOM 0 HG23 ILE A 7 0.327 1.328 -0.297 1.00 30.14 H new ATOM 0 HD11 ILE A 7 -1.970 5.374 -1.984 1.00 45.31 H new ATOM 0 HD12 ILE A 7 -0.336 5.833 -1.448 1.00 45.31 H new ATOM 0 HD13 ILE A 7 -0.573 5.100 -3.052 1.00 45.31 H new ATOM 102 N THR A 8 3.531 2.696 0.860 1.00 4.11 N ATOM 103 CA THR A 8 4.905 2.173 1.028 1.00 72.44 C ATOM 104 C THR A 8 4.920 0.630 0.908 1.00 35.54 C ATOM 105 O THR A 8 4.366 -0.069 1.764 1.00 73.40 O ATOM 106 CB THR A 8 5.477 2.603 2.428 1.00 70.35 C ATOM 107 OG1 THR A 8 5.449 4.038 2.549 1.00 14.14 O ATOM 108 CG2 THR A 8 6.922 2.120 2.646 1.00 22.34 C ATOM 0 H THR A 8 2.956 2.589 1.696 1.00 4.11 H new ATOM 0 HA THR A 8 5.531 2.590 0.239 1.00 72.44 H new ATOM 0 HB THR A 8 4.845 2.138 3.184 1.00 70.35 H new ATOM 0 HG1 THR A 8 5.805 4.300 3.424 1.00 14.14 H new ATOM 0 HG21 THR A 8 7.269 2.443 3.627 1.00 22.34 H new ATOM 0 HG22 THR A 8 6.954 1.032 2.590 1.00 22.34 H new ATOM 0 HG23 THR A 8 7.567 2.542 1.876 1.00 22.34 H new ATOM 116 N TYR A 9 5.543 0.104 -0.164 1.00 4.20 N ATOM 117 CA TYR A 9 5.732 -1.358 -0.343 1.00 21.31 C ATOM 118 C TYR A 9 6.973 -1.834 0.442 1.00 22.24 C ATOM 119 O TYR A 9 8.085 -1.381 0.183 1.00 11.11 O ATOM 120 CB TYR A 9 5.886 -1.711 -1.846 1.00 45.10 C ATOM 121 CG TYR A 9 4.582 -1.582 -2.658 1.00 13.45 C ATOM 122 CD1 TYR A 9 4.210 -0.377 -3.272 1.00 3.23 C ATOM 123 CD2 TYR A 9 3.716 -2.675 -2.795 1.00 1.13 C ATOM 124 CE1 TYR A 9 3.031 -0.278 -3.988 1.00 33.23 C ATOM 125 CE2 TYR A 9 2.539 -2.570 -3.508 1.00 71.33 C ATOM 126 CZ TYR A 9 2.201 -1.373 -4.099 1.00 43.10 C ATOM 127 OH TYR A 9 1.026 -1.274 -4.810 1.00 14.31 O ATOM 0 H TYR A 9 5.926 0.667 -0.923 1.00 4.20 H new ATOM 0 HA TYR A 9 4.850 -1.868 0.043 1.00 21.31 H new ATOM 0 HB2 TYR A 9 6.642 -1.060 -2.286 1.00 45.10 H new ATOM 0 HB3 TYR A 9 6.256 -2.733 -1.933 1.00 45.10 H new ATOM 0 HD1 TYR A 9 4.854 0.486 -3.184 1.00 3.23 H new ATOM 0 HD2 TYR A 9 3.974 -3.617 -2.334 1.00 1.13 H new ATOM 0 HE1 TYR A 9 2.761 0.655 -4.459 1.00 33.23 H new ATOM 0 HE2 TYR A 9 1.885 -3.424 -3.602 1.00 71.33 H new ATOM 0 HH TYR A 9 0.830 -0.331 -4.989 1.00 14.31 H new ATOM 137 N VAL A 10 6.771 -2.768 1.385 1.00 2.33 N ATOM 138 CA VAL A 10 7.845 -3.290 2.257 1.00 75.51 C ATOM 139 C VAL A 10 7.971 -4.828 2.137 1.00 2.32 C ATOM 140 O VAL A 10 6.998 -5.544 1.872 1.00 44.35 O ATOM 141 CB VAL A 10 7.628 -2.891 3.768 1.00 52.34 C ATOM 142 CG1 VAL A 10 7.640 -1.355 3.954 1.00 22.32 C ATOM 143 CG2 VAL A 10 6.341 -3.518 4.355 1.00 62.43 C ATOM 0 H VAL A 10 5.858 -3.186 1.568 1.00 2.33 H new ATOM 0 HA VAL A 10 8.772 -2.831 1.913 1.00 75.51 H new ATOM 0 HB VAL A 10 8.468 -3.301 4.329 1.00 52.34 H new ATOM 0 HG11 VAL A 10 7.488 -1.115 5.006 1.00 22.32 H new ATOM 0 HG12 VAL A 10 8.600 -0.956 3.626 1.00 22.32 H new ATOM 0 HG13 VAL A 10 6.841 -0.910 3.361 1.00 22.32 H new ATOM 0 HG21 VAL A 10 6.232 -3.217 5.397 1.00 62.43 H new ATOM 0 HG22 VAL A 10 5.477 -3.175 3.786 1.00 62.43 H new ATOM 0 HG23 VAL A 10 6.406 -4.604 4.297 1.00 62.43 H new ATOM 153 N ASP A 11 9.192 -5.304 2.358 1.00 65.22 N ATOM 154 CA ASP A 11 9.556 -6.719 2.315 1.00 40.24 C ATOM 155 C ASP A 11 9.452 -7.282 3.744 1.00 71.40 C ATOM 156 O ASP A 11 10.367 -7.108 4.550 1.00 23.44 O ATOM 157 CB ASP A 11 10.997 -6.824 1.746 1.00 0.15 C ATOM 158 CG ASP A 11 11.465 -8.234 1.364 1.00 64.54 C ATOM 159 OD1 ASP A 11 10.951 -9.242 1.901 1.00 5.41 O ATOM 160 OD2 ASP A 11 12.398 -8.330 0.531 1.00 54.54 O ATOM 0 H ASP A 11 9.982 -4.698 2.579 1.00 65.22 H new ATOM 0 HA ASP A 11 8.893 -7.299 1.674 1.00 40.24 H new ATOM 0 HB2 ASP A 11 11.066 -6.188 0.864 1.00 0.15 H new ATOM 0 HB3 ASP A 11 11.689 -6.420 2.485 1.00 0.15 H new ATOM 165 N ASP A 12 8.320 -7.930 4.035 1.00 2.24 N ATOM 166 CA ASP A 12 7.965 -8.426 5.384 1.00 0.02 C ATOM 167 C ASP A 12 8.979 -9.481 5.921 1.00 13.22 C ATOM 168 O ASP A 12 9.169 -9.599 7.137 1.00 1.22 O ATOM 169 CB ASP A 12 6.525 -9.002 5.333 1.00 70.32 C ATOM 170 CG ASP A 12 5.921 -9.244 6.718 1.00 24.14 C ATOM 171 OD1 ASP A 12 5.489 -8.263 7.352 1.00 13.12 O ATOM 172 OD2 ASP A 12 5.878 -10.401 7.176 1.00 54.41 O ATOM 0 H ASP A 12 7.607 -8.132 3.334 1.00 2.24 H new ATOM 0 HA ASP A 12 8.009 -7.592 6.085 1.00 0.02 H new ATOM 0 HB2 ASP A 12 5.885 -8.314 4.780 1.00 70.32 H new ATOM 0 HB3 ASP A 12 6.536 -9.941 4.780 1.00 70.32 H new ATOM 177 N ASP A 13 9.640 -10.226 5.002 1.00 61.44 N ATOM 178 CA ASP A 13 10.690 -11.227 5.356 1.00 60.21 C ATOM 179 C ASP A 13 12.107 -10.597 5.474 1.00 32.03 C ATOM 180 O ASP A 13 13.046 -11.265 5.923 1.00 63.42 O ATOM 181 CB ASP A 13 10.701 -12.402 4.332 1.00 70.15 C ATOM 182 CG ASP A 13 9.514 -13.364 4.490 1.00 60.13 C ATOM 183 OD1 ASP A 13 9.138 -13.680 5.640 1.00 44.51 O ATOM 184 OD2 ASP A 13 8.985 -13.852 3.477 1.00 62.14 O ATOM 0 H ASP A 13 9.466 -10.155 3.999 1.00 61.44 H new ATOM 0 HA ASP A 13 10.431 -11.614 6.341 1.00 60.21 H new ATOM 0 HB2 ASP A 13 10.695 -11.993 3.322 1.00 70.15 H new ATOM 0 HB3 ASP A 13 11.630 -12.962 4.444 1.00 70.15 H new ATOM 189 N LYS A 14 12.251 -9.324 5.081 1.00 0.24 N ATOM 190 CA LYS A 14 13.534 -8.578 5.182 1.00 32.55 C ATOM 191 C LYS A 14 13.389 -7.406 6.199 1.00 15.11 C ATOM 192 O LYS A 14 13.909 -6.306 5.995 1.00 72.10 O ATOM 193 CB LYS A 14 13.938 -8.077 3.750 1.00 45.33 C ATOM 194 CG LYS A 14 15.432 -7.665 3.547 1.00 33.43 C ATOM 195 CD LYS A 14 16.356 -8.819 3.058 1.00 53.35 C ATOM 196 CE LYS A 14 16.509 -9.977 4.061 1.00 62.33 C ATOM 197 NZ LYS A 14 17.449 -11.019 3.565 1.00 74.24 N ATOM 0 H LYS A 14 11.489 -8.774 4.684 1.00 0.24 H new ATOM 0 HA LYS A 14 14.328 -9.226 5.554 1.00 32.55 H new ATOM 0 HB2 LYS A 14 13.702 -8.865 3.035 1.00 45.33 H new ATOM 0 HB3 LYS A 14 13.312 -7.221 3.500 1.00 45.33 H new ATOM 0 HG2 LYS A 14 15.477 -6.849 2.825 1.00 33.43 H new ATOM 0 HG3 LYS A 14 15.821 -7.279 4.489 1.00 33.43 H new ATOM 0 HD2 LYS A 14 15.960 -9.214 2.123 1.00 53.35 H new ATOM 0 HD3 LYS A 14 17.343 -8.411 2.839 1.00 53.35 H new ATOM 0 HE2 LYS A 14 16.868 -9.587 5.013 1.00 62.33 H new ATOM 0 HE3 LYS A 14 15.534 -10.427 4.248 1.00 62.33 H new ATOM 0 HZ1 LYS A 14 17.525 -11.781 4.268 1.00 74.24 H new ATOM 0 HZ2 LYS A 14 17.093 -11.409 2.669 1.00 74.24 H new ATOM 0 HZ3 LYS A 14 18.386 -10.596 3.411 1.00 74.24 H new ATOM 211 N GLY A 15 12.674 -7.679 7.307 1.00 21.14 N ATOM 212 CA GLY A 15 12.441 -6.687 8.384 1.00 0.33 C ATOM 213 C GLY A 15 11.619 -5.457 7.966 1.00 22.11 C ATOM 214 O GLY A 15 11.712 -4.397 8.600 1.00 74.14 O ATOM 0 H GLY A 15 12.242 -8.586 7.484 1.00 21.14 H new ATOM 0 HA2 GLY A 15 11.931 -7.183 9.210 1.00 0.33 H new ATOM 0 HA3 GLY A 15 13.406 -6.349 8.762 1.00 0.33 H new ATOM 218 N GLY A 16 10.807 -5.608 6.908 1.00 1.24 N ATOM 219 CA GLY A 16 10.035 -4.490 6.337 1.00 71.51 C ATOM 220 C GLY A 16 10.887 -3.525 5.493 1.00 41.10 C ATOM 221 O GLY A 16 10.714 -2.307 5.581 1.00 21.20 O ATOM 0 H GLY A 16 10.667 -6.497 6.428 1.00 1.24 H new ATOM 0 HA2 GLY A 16 9.233 -4.891 5.717 1.00 71.51 H new ATOM 0 HA3 GLY A 16 9.564 -3.933 7.147 1.00 71.51 H new ATOM 225 N ALA A 17 11.809 -4.073 4.664 1.00 52.51 N ATOM 226 CA ALA A 17 12.704 -3.266 3.789 1.00 44.14 C ATOM 227 C ALA A 17 11.961 -2.722 2.542 1.00 64.22 C ATOM 228 O ALA A 17 11.275 -3.482 1.861 1.00 72.40 O ATOM 229 CB ALA A 17 13.906 -4.118 3.350 1.00 72.31 C ATOM 0 H ALA A 17 11.955 -5.079 4.581 1.00 52.51 H new ATOM 0 HA ALA A 17 13.047 -2.408 4.367 1.00 44.14 H new ATOM 0 HB1 ALA A 17 14.559 -3.524 2.710 1.00 72.31 H new ATOM 0 HB2 ALA A 17 14.460 -4.445 4.229 1.00 72.31 H new ATOM 0 HB3 ALA A 17 13.552 -4.989 2.799 1.00 72.31 H new ATOM 235 N GLN A 18 12.147 -1.424 2.224 1.00 35.21 N ATOM 236 CA GLN A 18 11.464 -0.774 1.073 1.00 11.34 C ATOM 237 C GLN A 18 11.827 -1.452 -0.280 1.00 23.13 C ATOM 238 O GLN A 18 13.003 -1.566 -0.640 1.00 53.22 O ATOM 239 CB GLN A 18 11.794 0.750 1.023 1.00 65.54 C ATOM 240 CG GLN A 18 11.316 1.485 -0.262 1.00 1.13 C ATOM 241 CD GLN A 18 9.802 1.399 -0.512 1.00 70.20 C ATOM 242 OE1 GLN A 18 9.002 1.393 0.408 1.00 21.43 O ATOM 243 NE2 GLN A 18 9.406 1.293 -1.762 1.00 44.02 N ATOM 0 H GLN A 18 12.764 -0.801 2.745 1.00 35.21 H new ATOM 0 HA GLN A 18 10.392 -0.898 1.225 1.00 11.34 H new ATOM 0 HB2 GLN A 18 11.341 1.233 1.889 1.00 65.54 H new ATOM 0 HB3 GLN A 18 12.873 0.876 1.115 1.00 65.54 H new ATOM 0 HG2 GLN A 18 11.602 2.535 -0.194 1.00 1.13 H new ATOM 0 HG3 GLN A 18 11.839 1.067 -1.122 1.00 1.13 H new ATOM 0 HE21 GLN A 18 10.092 1.300 -2.517 1.00 44.02 H new ATOM 0 HE22 GLN A 18 8.413 1.204 -1.976 1.00 44.02 H new ATOM 252 N VAL A 19 10.781 -1.890 -1.008 1.00 23.23 N ATOM 253 CA VAL A 19 10.897 -2.550 -2.324 1.00 22.41 C ATOM 254 C VAL A 19 10.759 -1.492 -3.452 1.00 32.42 C ATOM 255 O VAL A 19 9.655 -0.984 -3.704 1.00 52.33 O ATOM 256 CB VAL A 19 9.792 -3.675 -2.491 1.00 20.54 C ATOM 257 CG1 VAL A 19 9.940 -4.431 -3.836 1.00 50.12 C ATOM 258 CG2 VAL A 19 9.808 -4.660 -1.293 1.00 72.34 C ATOM 0 H VAL A 19 9.816 -1.794 -0.693 1.00 23.23 H new ATOM 0 HA VAL A 19 11.876 -3.024 -2.391 1.00 22.41 H new ATOM 0 HB VAL A 19 8.823 -3.176 -2.503 1.00 20.54 H new ATOM 0 HG11 VAL A 19 9.165 -5.193 -3.912 1.00 50.12 H new ATOM 0 HG12 VAL A 19 9.839 -3.727 -4.662 1.00 50.12 H new ATOM 0 HG13 VAL A 19 10.920 -4.905 -3.881 1.00 50.12 H new ATOM 0 HG21 VAL A 19 9.040 -5.420 -1.436 1.00 72.34 H new ATOM 0 HG22 VAL A 19 10.785 -5.139 -1.229 1.00 72.34 H new ATOM 0 HG23 VAL A 19 9.611 -4.114 -0.370 1.00 72.34 H new ATOM 268 N GLY A 20 11.888 -1.156 -4.109 1.00 43.54 N ATOM 269 CA GLY A 20 11.907 -0.143 -5.181 1.00 24.35 C ATOM 270 C GLY A 20 11.717 1.294 -4.668 1.00 32.41 C ATOM 271 O GLY A 20 12.607 1.849 -4.011 1.00 44.14 O ATOM 0 H GLY A 20 12.799 -1.573 -3.915 1.00 43.54 H new ATOM 0 HA2 GLY A 20 12.855 -0.208 -5.715 1.00 24.35 H new ATOM 0 HA3 GLY A 20 11.120 -0.371 -5.900 1.00 24.35 H new ATOM 275 N ASP A 21 10.543 1.888 -4.965 1.00 31.33 N ATOM 276 CA ASP A 21 10.191 3.273 -4.557 1.00 73.35 C ATOM 277 C ASP A 21 8.728 3.362 -4.054 1.00 10.21 C ATOM 278 O ASP A 21 7.928 2.438 -4.256 1.00 42.23 O ATOM 279 CB ASP A 21 10.446 4.263 -5.724 1.00 34.24 C ATOM 280 CG ASP A 21 9.612 3.951 -6.982 1.00 5.10 C ATOM 281 OD1 ASP A 21 9.980 3.019 -7.738 1.00 10.12 O ATOM 282 OD2 ASP A 21 8.594 4.640 -7.232 1.00 34.42 O ATOM 0 H ASP A 21 9.807 1.423 -5.496 1.00 31.33 H new ATOM 0 HA ASP A 21 10.835 3.554 -3.724 1.00 73.35 H new ATOM 0 HB2 ASP A 21 10.220 5.275 -5.389 1.00 34.24 H new ATOM 0 HB3 ASP A 21 11.504 4.242 -5.984 1.00 34.24 H new ATOM 287 N ILE A 22 8.403 4.481 -3.382 1.00 24.34 N ATOM 288 CA ILE A 22 7.092 4.698 -2.716 1.00 40.44 C ATOM 289 C ILE A 22 6.113 5.481 -3.635 1.00 41.02 C ATOM 290 O ILE A 22 6.515 6.424 -4.325 1.00 5.12 O ATOM 291 CB ILE A 22 7.293 5.464 -1.351 1.00 22.24 C ATOM 292 CG1 ILE A 22 8.334 4.724 -0.448 1.00 34.52 C ATOM 293 CG2 ILE A 22 5.952 5.636 -0.606 1.00 43.22 C ATOM 294 CD1 ILE A 22 8.577 5.361 0.911 1.00 44.20 C ATOM 0 H ILE A 22 9.042 5.269 -3.281 1.00 24.34 H new ATOM 0 HA ILE A 22 6.652 3.721 -2.514 1.00 40.44 H new ATOM 0 HB ILE A 22 7.680 6.457 -1.580 1.00 22.24 H new ATOM 0 HG12 ILE A 22 7.996 3.699 -0.296 1.00 34.52 H new ATOM 0 HG13 ILE A 22 9.283 4.671 -0.982 1.00 34.52 H new ATOM 0 HG21 ILE A 22 6.122 6.167 0.331 1.00 43.22 H new ATOM 0 HG22 ILE A 22 5.261 6.207 -1.227 1.00 43.22 H new ATOM 0 HG23 ILE A 22 5.525 4.656 -0.395 1.00 43.22 H new ATOM 0 HD11 ILE A 22 9.313 4.775 1.461 1.00 44.20 H new ATOM 0 HD12 ILE A 22 8.949 6.376 0.776 1.00 44.20 H new ATOM 0 HD13 ILE A 22 7.643 5.389 1.472 1.00 44.20 H new ATOM 306 N VAL A 23 4.818 5.101 -3.621 1.00 63.32 N ATOM 307 CA VAL A 23 3.782 5.706 -4.494 1.00 32.21 C ATOM 308 C VAL A 23 2.898 6.697 -3.688 1.00 62.44 C ATOM 309 O VAL A 23 2.011 6.278 -2.952 1.00 62.14 O ATOM 310 CB VAL A 23 2.879 4.581 -5.136 1.00 54.22 C ATOM 311 CG1 VAL A 23 1.804 5.173 -6.082 1.00 72.14 C ATOM 312 CG2 VAL A 23 3.738 3.518 -5.867 1.00 54.42 C ATOM 0 H VAL A 23 4.459 4.369 -3.008 1.00 63.32 H new ATOM 0 HA VAL A 23 4.285 6.254 -5.290 1.00 32.21 H new ATOM 0 HB VAL A 23 2.355 4.086 -4.318 1.00 54.22 H new ATOM 0 HG11 VAL A 23 1.205 4.365 -6.502 1.00 72.14 H new ATOM 0 HG12 VAL A 23 1.159 5.850 -5.522 1.00 72.14 H new ATOM 0 HG13 VAL A 23 2.291 5.721 -6.889 1.00 72.14 H new ATOM 0 HG21 VAL A 23 3.087 2.758 -6.298 1.00 54.42 H new ATOM 0 HG22 VAL A 23 4.312 3.997 -6.661 1.00 54.42 H new ATOM 0 HG23 VAL A 23 4.421 3.051 -5.157 1.00 54.42 H new ATOM 322 N THR A 24 3.147 8.011 -3.832 1.00 65.41 N ATOM 323 CA THR A 24 2.351 9.066 -3.143 1.00 61.40 C ATOM 324 C THR A 24 1.302 9.670 -4.104 1.00 11.52 C ATOM 325 O THR A 24 1.626 10.000 -5.247 1.00 43.01 O ATOM 326 CB THR A 24 3.271 10.217 -2.611 1.00 32.32 C ATOM 327 OG1 THR A 24 4.356 9.654 -1.854 1.00 14.40 O ATOM 328 CG2 THR A 24 2.494 11.222 -1.721 1.00 14.11 C ATOM 0 H THR A 24 3.895 8.378 -4.420 1.00 65.41 H new ATOM 0 HA THR A 24 1.849 8.593 -2.299 1.00 61.40 H new ATOM 0 HB THR A 24 3.650 10.761 -3.476 1.00 32.32 H new ATOM 0 HG1 THR A 24 4.932 10.374 -1.523 1.00 14.40 H new ATOM 0 HG21 THR A 24 3.172 12.002 -1.375 1.00 14.11 H new ATOM 0 HG22 THR A 24 1.688 11.673 -2.300 1.00 14.11 H new ATOM 0 HG23 THR A 24 2.075 10.699 -0.862 1.00 14.11 H new ATOM 336 N VAL A 25 0.052 9.830 -3.624 1.00 63.12 N ATOM 337 CA VAL A 25 -1.056 10.460 -4.395 1.00 3.45 C ATOM 338 C VAL A 25 -1.653 11.664 -3.618 1.00 1.43 C ATOM 339 O VAL A 25 -1.618 11.690 -2.387 1.00 4.04 O ATOM 340 CB VAL A 25 -2.193 9.415 -4.749 1.00 31.21 C ATOM 341 CG1 VAL A 25 -1.675 8.326 -5.721 1.00 20.21 C ATOM 342 CG2 VAL A 25 -2.798 8.769 -3.475 1.00 11.13 C ATOM 0 H VAL A 25 -0.225 9.528 -2.690 1.00 63.12 H new ATOM 0 HA VAL A 25 -0.633 10.822 -5.332 1.00 3.45 H new ATOM 0 HB VAL A 25 -2.988 9.967 -5.250 1.00 31.21 H new ATOM 0 HG11 VAL A 25 -2.479 7.625 -5.944 1.00 20.21 H new ATOM 0 HG12 VAL A 25 -1.336 8.794 -6.645 1.00 20.21 H new ATOM 0 HG13 VAL A 25 -0.845 7.791 -5.259 1.00 20.21 H new ATOM 0 HG21 VAL A 25 -3.574 8.059 -3.761 1.00 11.13 H new ATOM 0 HG22 VAL A 25 -2.015 8.249 -2.924 1.00 11.13 H new ATOM 0 HG23 VAL A 25 -3.231 9.545 -2.844 1.00 11.13 H new ATOM 352 N THR A 26 -2.194 12.659 -4.354 1.00 4.11 N ATOM 353 CA THR A 26 -2.764 13.905 -3.761 1.00 33.22 C ATOM 354 C THR A 26 -4.299 13.979 -3.950 1.00 32.03 C ATOM 355 O THR A 26 -4.861 13.378 -4.865 1.00 22.05 O ATOM 356 CB THR A 26 -2.108 15.198 -4.368 1.00 25.53 C ATOM 357 OG1 THR A 26 -2.299 15.229 -5.796 1.00 51.41 O ATOM 358 CG2 THR A 26 -0.599 15.293 -4.044 1.00 51.34 C ATOM 0 H THR A 26 -2.251 12.629 -5.372 1.00 4.11 H new ATOM 0 HA THR A 26 -2.538 13.863 -2.696 1.00 33.22 H new ATOM 0 HB THR A 26 -2.602 16.055 -3.910 1.00 25.53 H new ATOM 0 HG1 THR A 26 -1.888 16.039 -6.163 1.00 51.41 H new ATOM 0 HG21 THR A 26 -0.189 16.202 -4.484 1.00 51.34 H new ATOM 0 HG22 THR A 26 -0.460 15.318 -2.963 1.00 51.34 H new ATOM 0 HG23 THR A 26 -0.083 14.426 -4.456 1.00 51.34 H new ATOM 366 N GLY A 27 -4.957 14.746 -3.065 1.00 72.24 N ATOM 367 CA GLY A 27 -6.415 14.892 -3.060 1.00 74.01 C ATOM 368 C GLY A 27 -6.891 15.784 -1.914 1.00 10.13 C ATOM 369 O GLY A 27 -6.402 16.906 -1.764 1.00 62.35 O ATOM 0 H GLY A 27 -4.489 15.281 -2.334 1.00 72.24 H new ATOM 0 HA2 GLY A 27 -6.741 15.315 -4.010 1.00 74.01 H new ATOM 0 HA3 GLY A 27 -6.879 13.909 -2.973 1.00 74.01 H new ATOM 373 N LYS A 28 -7.834 15.287 -1.094 1.00 24.32 N ATOM 374 CA LYS A 28 -8.392 16.052 0.050 1.00 71.44 C ATOM 375 C LYS A 28 -9.024 15.076 1.070 1.00 14.24 C ATOM 376 O LYS A 28 -9.485 14.002 0.675 1.00 33.43 O ATOM 377 CB LYS A 28 -9.442 17.096 -0.450 1.00 34.33 C ATOM 378 CG LYS A 28 -9.717 18.260 0.533 1.00 3.43 C ATOM 379 CD LYS A 28 -8.468 19.163 0.736 1.00 64.40 C ATOM 380 CE LYS A 28 -8.718 20.338 1.701 1.00 44.42 C ATOM 381 NZ LYS A 28 -9.768 21.256 1.201 1.00 54.43 N ATOM 0 H LYS A 28 -8.232 14.354 -1.198 1.00 24.32 H new ATOM 0 HA LYS A 28 -7.587 16.598 0.542 1.00 71.44 H new ATOM 0 HB2 LYS A 28 -9.098 17.512 -1.397 1.00 34.33 H new ATOM 0 HB3 LYS A 28 -10.380 16.579 -0.651 1.00 34.33 H new ATOM 0 HG2 LYS A 28 -10.543 18.864 0.157 1.00 3.43 H new ATOM 0 HG3 LYS A 28 -10.031 17.855 1.495 1.00 3.43 H new ATOM 0 HD2 LYS A 28 -7.647 18.556 1.118 1.00 64.40 H new ATOM 0 HD3 LYS A 28 -8.151 19.556 -0.230 1.00 64.40 H new ATOM 0 HE2 LYS A 28 -9.011 19.949 2.676 1.00 44.42 H new ATOM 0 HE3 LYS A 28 -7.791 20.892 1.844 1.00 44.42 H new ATOM 0 HZ1 LYS A 28 -9.821 22.091 1.818 1.00 54.43 H new ATOM 0 HZ2 LYS A 28 -9.535 21.555 0.233 1.00 54.43 H new ATOM 0 HZ3 LYS A 28 -10.686 20.767 1.201 1.00 54.43 H new ATOM 395 N THR A 29 -9.030 15.455 2.374 1.00 34.34 N ATOM 396 CA THR A 29 -9.530 14.591 3.493 1.00 74.32 C ATOM 397 C THR A 29 -10.950 14.002 3.259 1.00 2.14 C ATOM 398 O THR A 29 -11.219 12.850 3.604 1.00 50.15 O ATOM 399 CB THR A 29 -9.546 15.350 4.866 1.00 30.54 C ATOM 400 OG1 THR A 29 -10.322 16.553 4.750 1.00 33.22 O ATOM 401 CG2 THR A 29 -8.130 15.686 5.369 1.00 52.20 C ATOM 0 H THR A 29 -8.691 16.365 2.686 1.00 34.34 H new ATOM 0 HA THR A 29 -8.817 13.767 3.519 1.00 74.32 H new ATOM 0 HB THR A 29 -10.000 14.683 5.599 1.00 30.54 H new ATOM 0 HG1 THR A 29 -10.330 17.022 5.611 1.00 33.22 H new ATOM 0 HG21 THR A 29 -8.197 16.211 6.322 1.00 52.20 H new ATOM 0 HG22 THR A 29 -7.563 14.765 5.501 1.00 52.20 H new ATOM 0 HG23 THR A 29 -7.626 16.321 4.640 1.00 52.20 H new ATOM 409 N ASP A 30 -11.848 14.813 2.688 1.00 70.01 N ATOM 410 CA ASP A 30 -13.254 14.428 2.439 1.00 71.21 C ATOM 411 C ASP A 30 -13.366 13.388 1.290 1.00 35.34 C ATOM 412 O ASP A 30 -14.266 12.540 1.288 1.00 0.41 O ATOM 413 CB ASP A 30 -14.076 15.710 2.128 1.00 60.12 C ATOM 414 CG ASP A 30 -15.591 15.474 2.005 1.00 30.14 C ATOM 415 OD1 ASP A 30 -16.237 15.196 3.040 1.00 44.34 O ATOM 416 OD2 ASP A 30 -16.142 15.577 0.881 1.00 11.45 O ATOM 0 H ASP A 30 -11.625 15.760 2.382 1.00 70.01 H new ATOM 0 HA ASP A 30 -13.658 13.948 3.330 1.00 71.21 H new ATOM 0 HB2 ASP A 30 -13.897 16.443 2.915 1.00 60.12 H new ATOM 0 HB3 ASP A 30 -13.711 16.145 1.198 1.00 60.12 H new ATOM 421 N ASP A 31 -12.416 13.449 0.340 1.00 2.22 N ATOM 422 CA ASP A 31 -12.398 12.594 -0.871 1.00 75.11 C ATOM 423 C ASP A 31 -11.687 11.238 -0.618 1.00 44.25 C ATOM 424 O ASP A 31 -10.856 11.106 0.289 1.00 54.42 O ATOM 425 CB ASP A 31 -11.697 13.353 -2.032 1.00 2.40 C ATOM 426 CG ASP A 31 -12.395 14.678 -2.369 1.00 10.12 C ATOM 427 OD1 ASP A 31 -12.325 15.616 -1.549 1.00 63.34 O ATOM 428 OD2 ASP A 31 -13.027 14.793 -3.443 1.00 11.14 O ATOM 0 H ASP A 31 -11.630 14.097 0.387 1.00 2.22 H new ATOM 0 HA ASP A 31 -13.431 12.374 -1.139 1.00 75.11 H new ATOM 0 HB2 ASP A 31 -10.660 13.550 -1.760 1.00 2.40 H new ATOM 0 HB3 ASP A 31 -11.679 12.719 -2.919 1.00 2.40 H new ATOM 433 N SER A 32 -12.028 10.240 -1.460 1.00 20.42 N ATOM 434 CA SER A 32 -11.449 8.877 -1.396 1.00 11.51 C ATOM 435 C SER A 32 -11.312 8.264 -2.809 1.00 52.11 C ATOM 436 O SER A 32 -11.998 8.674 -3.757 1.00 61.00 O ATOM 437 CB SER A 32 -12.326 7.954 -0.513 1.00 74.24 C ATOM 438 OG SER A 32 -13.638 7.821 -1.040 1.00 33.24 O ATOM 0 H SER A 32 -12.714 10.355 -2.206 1.00 20.42 H new ATOM 0 HA SER A 32 -10.456 8.960 -0.953 1.00 11.51 H new ATOM 0 HB2 SER A 32 -11.861 6.971 -0.439 1.00 74.24 H new ATOM 0 HB3 SER A 32 -12.378 8.358 0.498 1.00 74.24 H new ATOM 0 HG SER A 32 -14.165 7.231 -0.461 1.00 33.24 H new ATOM 444 N THR A 33 -10.428 7.262 -2.919 1.00 13.43 N ATOM 445 CA THR A 33 -10.120 6.563 -4.198 1.00 32.02 C ATOM 446 C THR A 33 -9.703 5.093 -3.946 1.00 61.01 C ATOM 447 O THR A 33 -9.360 4.721 -2.822 1.00 1.32 O ATOM 448 CB THR A 33 -9.008 7.309 -5.028 1.00 14.51 C ATOM 449 OG1 THR A 33 -8.771 6.629 -6.280 1.00 40.55 O ATOM 450 CG2 THR A 33 -7.682 7.442 -4.249 1.00 4.21 C ATOM 0 H THR A 33 -9.898 6.904 -2.125 1.00 13.43 H new ATOM 0 HA THR A 33 -11.037 6.571 -4.788 1.00 32.02 H new ATOM 0 HB THR A 33 -9.380 8.315 -5.221 1.00 14.51 H new ATOM 0 HG1 THR A 33 -8.079 7.105 -6.785 1.00 40.55 H new ATOM 0 HG21 THR A 33 -6.949 7.963 -4.865 1.00 4.21 H new ATOM 0 HG22 THR A 33 -7.853 8.007 -3.333 1.00 4.21 H new ATOM 0 HG23 THR A 33 -7.306 6.450 -3.999 1.00 4.21 H new ATOM 458 N THR A 34 -9.761 4.258 -5.001 1.00 24.15 N ATOM 459 CA THR A 34 -9.308 2.844 -4.952 1.00 74.04 C ATOM 460 C THR A 34 -7.941 2.700 -5.662 1.00 11.44 C ATOM 461 O THR A 34 -7.783 3.092 -6.823 1.00 54.31 O ATOM 462 CB THR A 34 -10.338 1.862 -5.618 1.00 55.00 C ATOM 463 OG1 THR A 34 -10.559 2.217 -6.998 1.00 1.34 O ATOM 464 CG2 THR A 34 -11.688 1.853 -4.881 1.00 12.40 C ATOM 0 H THR A 34 -10.122 4.539 -5.913 1.00 24.15 H new ATOM 0 HA THR A 34 -9.220 2.575 -3.899 1.00 74.04 H new ATOM 0 HB THR A 34 -9.905 0.864 -5.556 1.00 55.00 H new ATOM 0 HG1 THR A 34 -9.789 2.722 -7.333 1.00 1.34 H new ATOM 0 HG21 THR A 34 -12.368 1.160 -5.376 1.00 12.40 H new ATOM 0 HG22 THR A 34 -11.537 1.537 -3.849 1.00 12.40 H new ATOM 0 HG23 THR A 34 -12.117 2.855 -4.895 1.00 12.40 H new ATOM 472 N TYR A 35 -6.963 2.131 -4.945 1.00 32.11 N ATOM 473 CA TYR A 35 -5.593 1.898 -5.451 1.00 23.14 C ATOM 474 C TYR A 35 -5.330 0.385 -5.577 1.00 15.52 C ATOM 475 O TYR A 35 -5.531 -0.353 -4.620 1.00 4.41 O ATOM 476 CB TYR A 35 -4.581 2.556 -4.475 1.00 51.15 C ATOM 477 CG TYR A 35 -3.094 2.298 -4.774 1.00 24.03 C ATOM 478 CD1 TYR A 35 -2.403 3.056 -5.716 1.00 22.04 C ATOM 479 CD2 TYR A 35 -2.388 1.294 -4.100 1.00 3.50 C ATOM 480 CE1 TYR A 35 -1.070 2.820 -5.977 1.00 61.14 C ATOM 481 CE2 TYR A 35 -1.063 1.061 -4.357 1.00 55.11 C ATOM 482 CZ TYR A 35 -0.407 1.823 -5.293 1.00 62.01 C ATOM 483 OH TYR A 35 0.923 1.599 -5.534 1.00 41.40 O ATOM 0 H TYR A 35 -7.097 1.814 -3.985 1.00 32.11 H new ATOM 0 HA TYR A 35 -5.478 2.343 -6.439 1.00 23.14 H new ATOM 0 HB2 TYR A 35 -4.751 3.633 -4.478 1.00 51.15 H new ATOM 0 HB3 TYR A 35 -4.796 2.202 -3.467 1.00 51.15 H new ATOM 0 HD1 TYR A 35 -2.919 3.840 -6.250 1.00 22.04 H new ATOM 0 HD2 TYR A 35 -2.898 0.692 -3.363 1.00 3.50 H new ATOM 0 HE1 TYR A 35 -0.548 3.413 -6.713 1.00 61.14 H new ATOM 0 HE2 TYR A 35 -0.536 0.282 -3.826 1.00 55.11 H new ATOM 0 HH TYR A 35 1.132 1.835 -6.462 1.00 41.40 H new ATOM 493 N THR A 36 -4.864 -0.072 -6.750 1.00 72.32 N ATOM 494 CA THR A 36 -4.545 -1.502 -6.969 1.00 24.44 C ATOM 495 C THR A 36 -3.111 -1.818 -6.463 1.00 23.03 C ATOM 496 O THR A 36 -2.159 -1.096 -6.782 1.00 11.23 O ATOM 497 CB THR A 36 -4.679 -1.902 -8.481 1.00 64.14 C ATOM 498 OG1 THR A 36 -5.989 -1.551 -8.973 1.00 0.25 O ATOM 499 CG2 THR A 36 -4.439 -3.411 -8.712 1.00 14.45 C ATOM 0 H THR A 36 -4.698 0.522 -7.563 1.00 72.32 H new ATOM 0 HA THR A 36 -5.267 -2.090 -6.402 1.00 24.44 H new ATOM 0 HB THR A 36 -3.911 -1.352 -9.025 1.00 64.14 H new ATOM 0 HG1 THR A 36 -6.062 -1.803 -9.917 1.00 0.25 H new ATOM 0 HG21 THR A 36 -4.543 -3.638 -9.773 1.00 14.45 H new ATOM 0 HG22 THR A 36 -3.434 -3.674 -8.381 1.00 14.45 H new ATOM 0 HG23 THR A 36 -5.170 -3.987 -8.145 1.00 14.45 H new ATOM 507 N VAL A 37 -2.980 -2.895 -5.670 1.00 31.32 N ATOM 508 CA VAL A 37 -1.687 -3.360 -5.117 1.00 34.30 C ATOM 509 C VAL A 37 -0.859 -4.108 -6.198 1.00 72.25 C ATOM 510 O VAL A 37 -1.392 -4.952 -6.919 1.00 43.31 O ATOM 511 CB VAL A 37 -1.920 -4.300 -3.866 1.00 23.20 C ATOM 512 CG1 VAL A 37 -0.584 -4.791 -3.257 1.00 1.12 C ATOM 513 CG2 VAL A 37 -2.796 -3.591 -2.798 1.00 44.41 C ATOM 0 H VAL A 37 -3.771 -3.475 -5.390 1.00 31.32 H new ATOM 0 HA VAL A 37 -1.126 -2.482 -4.796 1.00 34.30 H new ATOM 0 HB VAL A 37 -2.456 -5.182 -4.215 1.00 23.20 H new ATOM 0 HG11 VAL A 37 -0.789 -5.433 -2.401 1.00 1.12 H new ATOM 0 HG12 VAL A 37 -0.027 -5.353 -4.007 1.00 1.12 H new ATOM 0 HG13 VAL A 37 0.006 -3.933 -2.934 1.00 1.12 H new ATOM 0 HG21 VAL A 37 -2.943 -4.257 -1.947 1.00 44.41 H new ATOM 0 HG22 VAL A 37 -2.298 -2.681 -2.465 1.00 44.41 H new ATOM 0 HG23 VAL A 37 -3.764 -3.337 -3.231 1.00 44.41 H new ATOM 523 N THR A 38 0.447 -3.792 -6.288 1.00 33.43 N ATOM 524 CA THR A 38 1.378 -4.389 -7.281 1.00 65.44 C ATOM 525 C THR A 38 2.391 -5.320 -6.574 1.00 43.21 C ATOM 526 O THR A 38 3.192 -4.865 -5.748 1.00 13.41 O ATOM 527 CB THR A 38 2.156 -3.268 -8.068 1.00 61.42 C ATOM 528 OG1 THR A 38 1.216 -2.411 -8.739 1.00 71.44 O ATOM 529 CG2 THR A 38 3.140 -3.839 -9.107 1.00 34.44 C ATOM 0 H THR A 38 0.894 -3.112 -5.673 1.00 33.43 H new ATOM 0 HA THR A 38 0.786 -4.968 -7.990 1.00 65.44 H new ATOM 0 HB THR A 38 2.738 -2.711 -7.334 1.00 61.42 H new ATOM 0 HG1 THR A 38 1.700 -1.713 -9.227 1.00 71.44 H new ATOM 0 HG21 THR A 38 3.646 -3.020 -9.617 1.00 34.44 H new ATOM 0 HG22 THR A 38 3.878 -4.464 -8.604 1.00 34.44 H new ATOM 0 HG23 THR A 38 2.593 -4.437 -9.836 1.00 34.44 H new ATOM 537 N ILE A 39 2.337 -6.628 -6.893 1.00 15.44 N ATOM 538 CA ILE A 39 3.246 -7.646 -6.313 1.00 55.14 C ATOM 539 C ILE A 39 4.395 -7.969 -7.315 1.00 1.52 C ATOM 540 O ILE A 39 4.125 -8.485 -8.409 1.00 51.12 O ATOM 541 CB ILE A 39 2.474 -8.982 -5.954 1.00 3.32 C ATOM 542 CG1 ILE A 39 1.121 -8.689 -5.207 1.00 72.21 C ATOM 543 CG2 ILE A 39 3.376 -9.924 -5.109 1.00 40.11 C ATOM 544 CD1 ILE A 39 1.248 -7.952 -3.883 1.00 11.00 C ATOM 0 H ILE A 39 1.665 -7.012 -7.558 1.00 15.44 H new ATOM 0 HA ILE A 39 3.659 -7.231 -5.394 1.00 55.14 H new ATOM 0 HB ILE A 39 2.228 -9.483 -6.891 1.00 3.32 H new ATOM 0 HG12 ILE A 39 0.481 -8.104 -5.868 1.00 72.21 H new ATOM 0 HG13 ILE A 39 0.613 -9.637 -5.028 1.00 72.21 H new ATOM 0 HG21 ILE A 39 2.828 -10.836 -4.872 1.00 40.11 H new ATOM 0 HG22 ILE A 39 4.272 -10.176 -5.677 1.00 40.11 H new ATOM 0 HG23 ILE A 39 3.661 -9.422 -4.185 1.00 40.11 H new ATOM 0 HD11 ILE A 39 0.257 -7.802 -3.454 1.00 11.00 H new ATOM 0 HD12 ILE A 39 1.856 -8.540 -3.196 1.00 11.00 H new ATOM 0 HD13 ILE A 39 1.722 -6.985 -4.049 1.00 11.00 H new ATOM 556 N PRO A 40 5.692 -7.652 -6.984 1.00 31.43 N ATOM 557 CA PRO A 40 6.852 -8.056 -7.832 1.00 41.43 C ATOM 558 C PRO A 40 7.087 -9.598 -7.857 1.00 44.41 C ATOM 559 O PRO A 40 6.622 -10.331 -6.967 1.00 25.42 O ATOM 560 CB PRO A 40 8.051 -7.304 -7.182 1.00 1.15 C ATOM 561 CG PRO A 40 7.625 -7.074 -5.758 1.00 73.22 C ATOM 562 CD PRO A 40 6.127 -6.852 -5.805 1.00 73.33 C ATOM 0 HA PRO A 40 6.697 -7.802 -8.881 1.00 41.43 H new ATOM 0 HB2 PRO A 40 8.965 -7.896 -7.232 1.00 1.15 H new ATOM 0 HB3 PRO A 40 8.253 -6.362 -7.693 1.00 1.15 H new ATOM 0 HG2 PRO A 40 7.874 -7.931 -5.132 1.00 73.22 H new ATOM 0 HG3 PRO A 40 8.135 -6.210 -5.332 1.00 73.22 H new ATOM 0 HD2 PRO A 40 5.642 -7.191 -4.889 1.00 73.33 H new ATOM 0 HD3 PRO A 40 5.881 -5.797 -5.924 1.00 73.33 H new ATOM 570 N ASP A 41 7.811 -10.071 -8.896 1.00 74.13 N ATOM 571 CA ASP A 41 8.114 -11.511 -9.090 1.00 70.31 C ATOM 572 C ASP A 41 9.014 -12.057 -7.949 1.00 51.24 C ATOM 573 O ASP A 41 9.938 -11.377 -7.484 1.00 42.21 O ATOM 574 CB ASP A 41 8.757 -11.753 -10.483 1.00 0.22 C ATOM 575 CG ASP A 41 10.082 -11.000 -10.699 1.00 63.35 C ATOM 576 OD1 ASP A 41 10.057 -9.759 -10.859 1.00 63.44 O ATOM 577 OD2 ASP A 41 11.158 -11.640 -10.703 1.00 20.04 O ATOM 0 H ASP A 41 8.201 -9.470 -9.622 1.00 74.13 H new ATOM 0 HA ASP A 41 7.174 -12.062 -9.053 1.00 70.31 H new ATOM 0 HB2 ASP A 41 8.933 -12.821 -10.610 1.00 0.22 H new ATOM 0 HB3 ASP A 41 8.050 -11.452 -11.256 1.00 0.22 H new ATOM 582 N GLY A 42 8.698 -13.280 -7.486 1.00 21.33 N ATOM 583 CA GLY A 42 9.396 -13.902 -6.355 1.00 40.34 C ATOM 584 C GLY A 42 8.868 -13.447 -4.982 1.00 22.41 C ATOM 585 O GLY A 42 9.386 -13.881 -3.948 1.00 63.41 O ATOM 0 H GLY A 42 7.957 -13.858 -7.884 1.00 21.33 H new ATOM 0 HA2 GLY A 42 9.301 -14.985 -6.431 1.00 40.34 H new ATOM 0 HA3 GLY A 42 10.459 -13.670 -6.422 1.00 40.34 H new ATOM 589 N TYR A 43 7.851 -12.551 -4.978 1.00 31.31 N ATOM 590 CA TYR A 43 7.187 -12.062 -3.746 1.00 32.21 C ATOM 591 C TYR A 43 5.708 -12.537 -3.670 1.00 34.23 C ATOM 592 O TYR A 43 5.101 -12.903 -4.678 1.00 13.03 O ATOM 593 CB TYR A 43 7.228 -10.507 -3.665 1.00 24.32 C ATOM 594 CG TYR A 43 8.612 -9.891 -3.383 1.00 55.14 C ATOM 595 CD1 TYR A 43 9.652 -9.960 -4.320 1.00 73.54 C ATOM 596 CD2 TYR A 43 8.873 -9.226 -2.177 1.00 4.25 C ATOM 597 CE1 TYR A 43 10.888 -9.396 -4.062 1.00 32.01 C ATOM 598 CE2 TYR A 43 10.102 -8.661 -1.924 1.00 52.33 C ATOM 599 CZ TYR A 43 11.105 -8.747 -2.863 1.00 14.43 C ATOM 600 OH TYR A 43 12.334 -8.181 -2.601 1.00 30.25 O ATOM 0 H TYR A 43 7.467 -12.146 -5.832 1.00 31.31 H new ATOM 0 HA TYR A 43 7.737 -12.481 -2.903 1.00 32.21 H new ATOM 0 HB2 TYR A 43 6.855 -10.102 -4.606 1.00 24.32 H new ATOM 0 HB3 TYR A 43 6.540 -10.184 -2.884 1.00 24.32 H new ATOM 0 HD1 TYR A 43 9.485 -10.463 -5.261 1.00 73.54 H new ATOM 0 HD2 TYR A 43 8.094 -9.156 -1.432 1.00 4.25 H new ATOM 0 HE1 TYR A 43 11.679 -9.463 -4.794 1.00 32.01 H new ATOM 0 HE2 TYR A 43 10.280 -8.150 -0.989 1.00 52.33 H new ATOM 0 HH TYR A 43 12.482 -8.155 -1.633 1.00 30.25 H new ATOM 610 N GLU A 44 5.150 -12.504 -2.448 1.00 4.34 N ATOM 611 CA GLU A 44 3.736 -12.850 -2.151 1.00 74.13 C ATOM 612 C GLU A 44 3.086 -11.698 -1.358 1.00 2.42 C ATOM 613 O GLU A 44 3.791 -10.924 -0.722 1.00 32.42 O ATOM 614 CB GLU A 44 3.672 -14.156 -1.305 1.00 15.32 C ATOM 615 CG GLU A 44 4.438 -15.355 -1.905 1.00 45.22 C ATOM 616 CD GLU A 44 4.395 -16.600 -1.002 1.00 4.35 C ATOM 617 OE1 GLU A 44 5.049 -16.589 0.063 1.00 22.01 O ATOM 618 OE2 GLU A 44 3.691 -17.580 -1.338 1.00 73.44 O ATOM 0 H GLU A 44 5.674 -12.231 -1.617 1.00 4.34 H new ATOM 0 HA GLU A 44 3.201 -13.004 -3.088 1.00 74.13 H new ATOM 0 HB2 GLU A 44 4.071 -13.949 -0.312 1.00 15.32 H new ATOM 0 HB3 GLU A 44 2.627 -14.438 -1.177 1.00 15.32 H new ATOM 0 HG2 GLU A 44 4.013 -15.602 -2.878 1.00 45.22 H new ATOM 0 HG3 GLU A 44 5.476 -15.070 -2.074 1.00 45.22 H new ATOM 625 N TYR A 45 1.751 -11.582 -1.393 1.00 52.00 N ATOM 626 CA TYR A 45 1.019 -10.594 -0.555 1.00 64.25 C ATOM 627 C TYR A 45 0.790 -11.136 0.888 1.00 51.41 C ATOM 628 O TYR A 45 0.307 -12.257 1.063 1.00 65.34 O ATOM 629 CB TYR A 45 -0.336 -10.238 -1.227 1.00 55.53 C ATOM 630 CG TYR A 45 -1.193 -9.230 -0.436 1.00 24.42 C ATOM 631 CD1 TYR A 45 -0.907 -7.859 -0.448 1.00 1.14 C ATOM 632 CD2 TYR A 45 -2.278 -9.660 0.342 1.00 11.13 C ATOM 633 CE1 TYR A 45 -1.670 -6.963 0.279 1.00 64.02 C ATOM 634 CE2 TYR A 45 -3.035 -8.769 1.068 1.00 12.23 C ATOM 635 CZ TYR A 45 -2.731 -7.426 1.033 1.00 54.53 C ATOM 636 OH TYR A 45 -3.492 -6.545 1.756 1.00 72.11 O ATOM 0 H TYR A 45 1.149 -12.153 -1.987 1.00 52.00 H new ATOM 0 HA TYR A 45 1.626 -9.692 -0.475 1.00 64.25 H new ATOM 0 HB2 TYR A 45 -0.140 -9.830 -2.219 1.00 55.53 H new ATOM 0 HB3 TYR A 45 -0.910 -11.154 -1.367 1.00 55.53 H new ATOM 0 HD1 TYR A 45 -0.077 -7.495 -1.035 1.00 1.14 H new ATOM 0 HD2 TYR A 45 -2.524 -10.711 0.372 1.00 11.13 H new ATOM 0 HE1 TYR A 45 -1.438 -5.908 0.257 1.00 64.02 H new ATOM 0 HE2 TYR A 45 -3.864 -9.122 1.663 1.00 12.23 H new ATOM 0 HH TYR A 45 -3.846 -6.995 2.552 1.00 72.11 H new ATOM 646 N VAL A 46 1.134 -10.323 1.911 1.00 12.25 N ATOM 647 CA VAL A 46 0.882 -10.654 3.344 1.00 25.03 C ATOM 648 C VAL A 46 -0.389 -9.937 3.852 1.00 25.20 C ATOM 649 O VAL A 46 -1.384 -10.582 4.199 1.00 13.43 O ATOM 650 CB VAL A 46 2.100 -10.263 4.274 1.00 73.44 C ATOM 651 CG1 VAL A 46 1.830 -10.596 5.769 1.00 60.35 C ATOM 652 CG2 VAL A 46 3.396 -10.924 3.786 1.00 42.24 C ATOM 0 H VAL A 46 1.592 -9.422 1.775 1.00 12.25 H new ATOM 0 HA VAL A 46 0.747 -11.734 3.394 1.00 25.03 H new ATOM 0 HB VAL A 46 2.220 -9.182 4.207 1.00 73.44 H new ATOM 0 HG11 VAL A 46 2.695 -10.309 6.368 1.00 60.35 H new ATOM 0 HG12 VAL A 46 0.953 -10.046 6.112 1.00 60.35 H new ATOM 0 HG13 VAL A 46 1.652 -11.666 5.877 1.00 60.35 H new ATOM 0 HG21 VAL A 46 4.219 -10.640 4.442 1.00 42.24 H new ATOM 0 HG22 VAL A 46 3.279 -12.008 3.799 1.00 42.24 H new ATOM 0 HG23 VAL A 46 3.612 -10.595 2.770 1.00 42.24 H new ATOM 662 N GLY A 47 -0.328 -8.594 3.892 1.00 44.43 N ATOM 663 CA GLY A 47 -1.407 -7.776 4.465 1.00 61.25 C ATOM 664 C GLY A 47 -1.166 -6.267 4.337 1.00 10.24 C ATOM 665 O GLY A 47 -0.060 -5.830 4.001 1.00 11.21 O ATOM 0 H GLY A 47 0.459 -8.053 3.533 1.00 44.43 H new ATOM 0 HA2 GLY A 47 -2.345 -8.029 3.971 1.00 61.25 H new ATOM 0 HA3 GLY A 47 -1.523 -8.029 5.519 1.00 61.25 H new ATOM 669 N THR A 48 -2.217 -5.481 4.616 1.00 21.12 N ATOM 670 CA THR A 48 -2.178 -3.993 4.561 1.00 4.41 C ATOM 671 C THR A 48 -2.210 -3.389 5.980 1.00 50.40 C ATOM 672 O THR A 48 -3.047 -3.757 6.808 1.00 14.02 O ATOM 673 CB THR A 48 -3.371 -3.430 3.713 1.00 2.33 C ATOM 674 OG1 THR A 48 -3.173 -3.761 2.333 1.00 60.10 O ATOM 675 CG2 THR A 48 -3.555 -1.901 3.839 1.00 3.53 C ATOM 0 H THR A 48 -3.127 -5.852 4.889 1.00 21.12 H new ATOM 0 HA THR A 48 -1.243 -3.706 4.079 1.00 4.41 H new ATOM 0 HB THR A 48 -4.275 -3.893 4.108 1.00 2.33 H new ATOM 0 HG1 THR A 48 -3.295 -4.725 2.207 1.00 60.10 H new ATOM 0 HG21 THR A 48 -4.398 -1.584 3.225 1.00 3.53 H new ATOM 0 HG22 THR A 48 -3.747 -1.642 4.880 1.00 3.53 H new ATOM 0 HG23 THR A 48 -2.650 -1.397 3.500 1.00 3.53 H new ATOM 683 N ASP A 49 -1.313 -2.430 6.228 1.00 31.13 N ATOM 684 CA ASP A 49 -1.212 -1.708 7.510 1.00 53.11 C ATOM 685 C ASP A 49 -1.546 -0.204 7.311 1.00 12.02 C ATOM 686 O ASP A 49 -1.325 0.342 6.230 1.00 21.13 O ATOM 687 CB ASP A 49 0.211 -1.904 8.092 1.00 31.31 C ATOM 688 CG ASP A 49 0.366 -1.313 9.498 1.00 70.42 C ATOM 689 OD1 ASP A 49 -0.382 -1.736 10.404 1.00 44.44 O ATOM 690 OD2 ASP A 49 1.233 -0.435 9.704 1.00 50.30 O ATOM 0 H ASP A 49 -0.626 -2.126 5.538 1.00 31.13 H new ATOM 0 HA ASP A 49 -1.936 -2.110 8.219 1.00 53.11 H new ATOM 0 HB2 ASP A 49 0.442 -2.969 8.123 1.00 31.31 H new ATOM 0 HB3 ASP A 49 0.938 -1.440 7.426 1.00 31.31 H new ATOM 695 N GLY A 50 -2.095 0.443 8.359 1.00 72.35 N ATOM 696 CA GLY A 50 -2.432 1.879 8.319 1.00 50.33 C ATOM 697 C GLY A 50 -3.790 2.166 7.659 1.00 13.02 C ATOM 698 O GLY A 50 -4.762 2.508 8.343 1.00 32.51 O ATOM 0 H GLY A 50 -2.315 -0.009 9.246 1.00 72.35 H new ATOM 0 HA2 GLY A 50 -2.440 2.272 9.336 1.00 50.33 H new ATOM 0 HA3 GLY A 50 -1.652 2.413 7.777 1.00 50.33 H new ATOM 702 N GLY A 51 -3.854 2.010 6.321 1.00 32.15 N ATOM 703 CA GLY A 51 -5.079 2.280 5.545 1.00 34.10 C ATOM 704 C GLY A 51 -6.071 1.112 5.504 1.00 14.20 C ATOM 705 O GLY A 51 -5.881 0.089 6.173 1.00 3.45 O ATOM 0 H GLY A 51 -3.066 1.697 5.754 1.00 32.15 H new ATOM 0 HA2 GLY A 51 -5.579 3.151 5.969 1.00 34.10 H new ATOM 0 HA3 GLY A 51 -4.798 2.539 4.524 1.00 34.10 H new ATOM 709 N VAL A 52 -7.131 1.265 4.691 1.00 60.14 N ATOM 710 CA VAL A 52 -8.224 0.262 4.570 1.00 11.04 C ATOM 711 C VAL A 52 -7.950 -0.692 3.383 1.00 40.42 C ATOM 712 O VAL A 52 -7.532 -0.245 2.318 1.00 64.23 O ATOM 713 CB VAL A 52 -9.626 0.967 4.383 1.00 42.43 C ATOM 714 CG1 VAL A 52 -10.793 -0.056 4.408 1.00 71.51 C ATOM 715 CG2 VAL A 52 -9.837 2.081 5.440 1.00 33.23 C ATOM 0 H VAL A 52 -7.262 2.084 4.097 1.00 60.14 H new ATOM 0 HA VAL A 52 -8.252 -0.316 5.494 1.00 11.04 H new ATOM 0 HB VAL A 52 -9.625 1.433 3.398 1.00 42.43 H new ATOM 0 HG11 VAL A 52 -11.739 0.468 4.276 1.00 71.51 H new ATOM 0 HG12 VAL A 52 -10.662 -0.777 3.601 1.00 71.51 H new ATOM 0 HG13 VAL A 52 -10.798 -0.579 5.364 1.00 71.51 H new ATOM 0 HG21 VAL A 52 -10.810 2.548 5.287 1.00 33.23 H new ATOM 0 HG22 VAL A 52 -9.796 1.647 6.439 1.00 33.23 H new ATOM 0 HG23 VAL A 52 -9.054 2.832 5.338 1.00 33.23 H new ATOM 725 N VAL A 53 -8.197 -2.006 3.567 1.00 50.13 N ATOM 726 CA VAL A 53 -7.931 -3.039 2.530 1.00 43.12 C ATOM 727 C VAL A 53 -9.244 -3.681 2.008 1.00 11.02 C ATOM 728 O VAL A 53 -10.230 -3.800 2.746 1.00 60.44 O ATOM 729 CB VAL A 53 -6.969 -4.162 3.083 1.00 51.53 C ATOM 730 CG1 VAL A 53 -7.615 -4.965 4.234 1.00 21.33 C ATOM 731 CG2 VAL A 53 -6.464 -5.097 1.952 1.00 72.24 C ATOM 0 H VAL A 53 -8.584 -2.384 4.431 1.00 50.13 H new ATOM 0 HA VAL A 53 -7.444 -2.534 1.696 1.00 43.12 H new ATOM 0 HB VAL A 53 -6.099 -3.653 3.497 1.00 51.53 H new ATOM 0 HG11 VAL A 53 -6.917 -5.726 4.583 1.00 21.33 H new ATOM 0 HG12 VAL A 53 -7.858 -4.291 5.056 1.00 21.33 H new ATOM 0 HG13 VAL A 53 -8.526 -5.445 3.876 1.00 21.33 H new ATOM 0 HG21 VAL A 53 -5.805 -5.856 2.374 1.00 72.24 H new ATOM 0 HG22 VAL A 53 -7.315 -5.581 1.473 1.00 72.24 H new ATOM 0 HG23 VAL A 53 -5.917 -4.512 1.213 1.00 72.24 H new ATOM 741 N SER A 54 -9.241 -4.071 0.720 1.00 71.20 N ATOM 742 CA SER A 54 -10.326 -4.870 0.094 1.00 44.42 C ATOM 743 C SER A 54 -10.410 -6.301 0.685 1.00 61.23 C ATOM 744 O SER A 54 -9.466 -6.781 1.331 1.00 52.54 O ATOM 745 CB SER A 54 -10.093 -4.963 -1.436 1.00 1.54 C ATOM 746 OG SER A 54 -11.077 -5.743 -2.104 1.00 4.52 O ATOM 0 H SER A 54 -8.484 -3.842 0.075 1.00 71.20 H new ATOM 0 HA SER A 54 -11.268 -4.363 0.304 1.00 44.42 H new ATOM 0 HB2 SER A 54 -10.086 -3.958 -1.858 1.00 1.54 H new ATOM 0 HB3 SER A 54 -9.109 -5.393 -1.622 1.00 1.54 H new ATOM 0 HG SER A 54 -10.881 -5.765 -3.064 1.00 4.52 H new ATOM 752 N SER A 55 -11.539 -6.981 0.406 1.00 15.51 N ATOM 753 CA SER A 55 -11.793 -8.376 0.841 1.00 43.41 C ATOM 754 C SER A 55 -10.756 -9.364 0.246 1.00 35.20 C ATOM 755 O SER A 55 -10.400 -10.365 0.876 1.00 12.54 O ATOM 756 CB SER A 55 -13.220 -8.804 0.412 1.00 53.44 C ATOM 757 OG SER A 55 -13.551 -10.100 0.897 1.00 43.23 O ATOM 0 H SER A 55 -12.308 -6.579 -0.131 1.00 15.51 H new ATOM 0 HA SER A 55 -11.701 -8.407 1.927 1.00 43.41 H new ATOM 0 HB2 SER A 55 -13.944 -8.080 0.786 1.00 53.44 H new ATOM 0 HB3 SER A 55 -13.291 -8.794 -0.676 1.00 53.44 H new ATOM 0 HG SER A 55 -14.457 -10.336 0.609 1.00 43.23 H new ATOM 763 N ASP A 56 -10.284 -9.055 -0.975 1.00 74.14 N ATOM 764 CA ASP A 56 -9.336 -9.908 -1.727 1.00 44.11 C ATOM 765 C ASP A 56 -7.859 -9.650 -1.325 1.00 74.24 C ATOM 766 O ASP A 56 -6.993 -10.489 -1.581 1.00 61.41 O ATOM 767 CB ASP A 56 -9.489 -9.631 -3.242 1.00 62.34 C ATOM 768 CG ASP A 56 -10.948 -9.676 -3.708 1.00 55.02 C ATOM 769 OD1 ASP A 56 -11.453 -10.773 -4.026 1.00 62.14 O ATOM 770 OD2 ASP A 56 -11.595 -8.604 -3.749 1.00 4.33 O ATOM 0 H ASP A 56 -10.548 -8.205 -1.473 1.00 74.14 H new ATOM 0 HA ASP A 56 -9.575 -10.944 -1.489 1.00 44.11 H new ATOM 0 HB2 ASP A 56 -9.069 -8.652 -3.472 1.00 62.34 H new ATOM 0 HB3 ASP A 56 -8.910 -10.366 -3.802 1.00 62.34 H new ATOM 775 N GLY A 57 -7.590 -8.480 -0.698 1.00 24.45 N ATOM 776 CA GLY A 57 -6.205 -7.962 -0.553 1.00 0.23 C ATOM 777 C GLY A 57 -5.593 -7.482 -1.887 1.00 41.13 C ATOM 778 O GLY A 57 -4.382 -7.274 -2.000 1.00 11.14 O ATOM 0 H GLY A 57 -8.306 -7.880 -0.287 1.00 24.45 H new ATOM 0 HA2 GLY A 57 -6.206 -7.135 0.157 1.00 0.23 H new ATOM 0 HA3 GLY A 57 -5.574 -8.744 -0.131 1.00 0.23 H new ATOM 782 N LYS A 58 -6.472 -7.318 -2.888 1.00 33.40 N ATOM 783 CA LYS A 58 -6.121 -6.954 -4.280 1.00 3.34 C ATOM 784 C LYS A 58 -5.984 -5.427 -4.438 1.00 21.43 C ATOM 785 O LYS A 58 -5.080 -4.936 -5.116 1.00 71.25 O ATOM 786 CB LYS A 58 -7.239 -7.509 -5.203 1.00 41.32 C ATOM 787 CG LYS A 58 -7.216 -7.045 -6.679 1.00 4.53 C ATOM 788 CD LYS A 58 -8.376 -7.660 -7.498 1.00 41.34 C ATOM 789 CE LYS A 58 -9.756 -7.329 -6.903 1.00 30.03 C ATOM 790 NZ LYS A 58 -10.864 -7.947 -7.681 1.00 4.33 N ATOM 0 H LYS A 58 -7.476 -7.437 -2.753 1.00 33.40 H new ATOM 0 HA LYS A 58 -5.157 -7.384 -4.550 1.00 3.34 H new ATOM 0 HB2 LYS A 58 -7.184 -8.597 -5.188 1.00 41.32 H new ATOM 0 HB3 LYS A 58 -8.202 -7.233 -4.774 1.00 41.32 H new ATOM 0 HG2 LYS A 58 -7.281 -5.958 -6.718 1.00 4.53 H new ATOM 0 HG3 LYS A 58 -6.265 -7.324 -7.132 1.00 4.53 H new ATOM 0 HD2 LYS A 58 -8.328 -7.292 -8.523 1.00 41.34 H new ATOM 0 HD3 LYS A 58 -8.252 -8.742 -7.541 1.00 41.34 H new ATOM 0 HE2 LYS A 58 -9.799 -7.679 -5.872 1.00 30.03 H new ATOM 0 HE3 LYS A 58 -9.890 -6.248 -6.879 1.00 30.03 H new ATOM 0 HZ1 LYS A 58 -11.775 -7.698 -7.245 1.00 4.33 H new ATOM 0 HZ2 LYS A 58 -10.840 -7.594 -8.659 1.00 4.33 H new ATOM 0 HZ3 LYS A 58 -10.752 -8.981 -7.683 1.00 4.33 H new ATOM 804 N THR A 59 -6.932 -4.698 -3.830 1.00 65.02 N ATOM 805 CA THR A 59 -6.961 -3.221 -3.814 1.00 32.33 C ATOM 806 C THR A 59 -6.989 -2.705 -2.358 1.00 24.34 C ATOM 807 O THR A 59 -7.246 -3.466 -1.419 1.00 74.54 O ATOM 808 CB THR A 59 -8.215 -2.665 -4.588 1.00 52.43 C ATOM 809 OG1 THR A 59 -9.423 -3.150 -3.982 1.00 61.43 O ATOM 810 CG2 THR A 59 -8.206 -3.066 -6.076 1.00 0.40 C ATOM 0 H THR A 59 -7.713 -5.120 -3.327 1.00 65.02 H new ATOM 0 HA THR A 59 -6.059 -2.866 -4.313 1.00 32.33 H new ATOM 0 HB THR A 59 -8.170 -1.578 -4.528 1.00 52.43 H new ATOM 0 HG1 THR A 59 -10.197 -2.798 -4.469 1.00 61.43 H new ATOM 0 HG21 THR A 59 -9.090 -2.660 -6.568 1.00 0.40 H new ATOM 0 HG22 THR A 59 -7.310 -2.670 -6.554 1.00 0.40 H new ATOM 0 HG23 THR A 59 -8.211 -4.153 -6.160 1.00 0.40 H new ATOM 818 N VAL A 60 -6.700 -1.411 -2.186 1.00 21.21 N ATOM 819 CA VAL A 60 -6.759 -0.706 -0.887 1.00 75.45 C ATOM 820 C VAL A 60 -7.497 0.642 -1.051 1.00 23.43 C ATOM 821 O VAL A 60 -7.254 1.384 -2.014 1.00 42.15 O ATOM 822 CB VAL A 60 -5.313 -0.481 -0.272 1.00 43.33 C ATOM 823 CG1 VAL A 60 -4.706 -1.814 0.217 1.00 54.54 C ATOM 824 CG2 VAL A 60 -4.364 0.209 -1.277 1.00 75.11 C ATOM 0 H VAL A 60 -6.412 -0.807 -2.956 1.00 21.21 H new ATOM 0 HA VAL A 60 -7.312 -1.334 -0.189 1.00 75.45 H new ATOM 0 HB VAL A 60 -5.428 0.183 0.585 1.00 43.33 H new ATOM 0 HG11 VAL A 60 -3.715 -1.632 0.634 1.00 54.54 H new ATOM 0 HG12 VAL A 60 -5.348 -2.247 0.984 1.00 54.54 H new ATOM 0 HG13 VAL A 60 -4.625 -2.506 -0.621 1.00 54.54 H new ATOM 0 HG21 VAL A 60 -3.385 0.345 -0.818 1.00 75.11 H new ATOM 0 HG22 VAL A 60 -4.264 -0.411 -2.168 1.00 75.11 H new ATOM 0 HG23 VAL A 60 -4.773 1.181 -1.555 1.00 75.11 H new ATOM 834 N THR A 61 -8.434 0.932 -0.129 1.00 3.45 N ATOM 835 CA THR A 61 -9.206 2.191 -0.128 1.00 31.10 C ATOM 836 C THR A 61 -8.354 3.342 0.452 1.00 33.10 C ATOM 837 O THR A 61 -8.134 3.420 1.671 1.00 11.04 O ATOM 838 CB THR A 61 -10.542 2.050 0.686 1.00 11.23 C ATOM 839 OG1 THR A 61 -11.307 0.946 0.173 1.00 1.42 O ATOM 840 CG2 THR A 61 -11.398 3.335 0.626 1.00 62.31 C ATOM 0 H THR A 61 -8.678 0.302 0.635 1.00 3.45 H new ATOM 0 HA THR A 61 -9.465 2.419 -1.162 1.00 31.10 H new ATOM 0 HB THR A 61 -10.273 1.875 1.728 1.00 11.23 H new ATOM 0 HG1 THR A 61 -12.139 0.859 0.684 1.00 1.42 H new ATOM 0 HG21 THR A 61 -12.312 3.191 1.203 1.00 62.31 H new ATOM 0 HG22 THR A 61 -10.833 4.168 1.043 1.00 62.31 H new ATOM 0 HG23 THR A 61 -11.654 3.553 -0.411 1.00 62.31 H new ATOM 848 N ILE A 62 -7.861 4.214 -0.440 1.00 2.32 N ATOM 849 CA ILE A 62 -7.072 5.394 -0.063 1.00 13.35 C ATOM 850 C ILE A 62 -8.017 6.563 0.264 1.00 61.23 C ATOM 851 O ILE A 62 -8.602 7.164 -0.641 1.00 13.05 O ATOM 852 CB ILE A 62 -6.098 5.832 -1.228 1.00 54.54 C ATOM 853 CG1 ILE A 62 -5.247 4.630 -1.732 1.00 22.35 C ATOM 854 CG2 ILE A 62 -5.196 7.017 -0.795 1.00 54.43 C ATOM 855 CD1 ILE A 62 -4.372 3.971 -0.686 1.00 21.42 C ATOM 0 H ILE A 62 -7.999 4.119 -1.446 1.00 2.32 H new ATOM 0 HA ILE A 62 -6.474 5.133 0.810 1.00 13.35 H new ATOM 0 HB ILE A 62 -6.713 6.175 -2.060 1.00 54.54 H new ATOM 0 HG12 ILE A 62 -5.919 3.878 -2.145 1.00 22.35 H new ATOM 0 HG13 ILE A 62 -4.612 4.973 -2.549 1.00 22.35 H new ATOM 0 HG21 ILE A 62 -4.538 7.294 -1.619 1.00 54.43 H new ATOM 0 HG22 ILE A 62 -5.820 7.870 -0.527 1.00 54.43 H new ATOM 0 HG23 ILE A 62 -4.595 6.722 0.065 1.00 54.43 H new ATOM 0 HD11 ILE A 62 -3.821 3.147 -1.139 1.00 21.42 H new ATOM 0 HD12 ILE A 62 -3.668 4.702 -0.288 1.00 21.42 H new ATOM 0 HD13 ILE A 62 -4.996 3.590 0.122 1.00 21.42 H new ATOM 867 N THR A 63 -8.185 6.882 1.552 1.00 24.42 N ATOM 868 CA THR A 63 -8.944 8.074 1.978 1.00 24.32 C ATOM 869 C THR A 63 -7.986 9.007 2.719 1.00 74.22 C ATOM 870 O THR A 63 -7.395 8.619 3.734 1.00 24.31 O ATOM 871 CB THR A 63 -10.164 7.718 2.895 1.00 75.22 C ATOM 872 OG1 THR A 63 -10.915 6.628 2.324 1.00 63.42 O ATOM 873 CG2 THR A 63 -11.106 8.930 3.069 1.00 23.51 C ATOM 0 H THR A 63 -7.806 6.333 2.323 1.00 24.42 H new ATOM 0 HA THR A 63 -9.355 8.556 1.091 1.00 24.32 H new ATOM 0 HB THR A 63 -9.769 7.431 3.870 1.00 75.22 H new ATOM 0 HG1 THR A 63 -11.674 6.413 2.906 1.00 63.42 H new ATOM 0 HG21 THR A 63 -11.942 8.652 3.710 1.00 23.51 H new ATOM 0 HG22 THR A 63 -10.558 9.754 3.525 1.00 23.51 H new ATOM 0 HG23 THR A 63 -11.483 9.240 2.095 1.00 23.51 H new ATOM 881 N PHE A 64 -7.838 10.232 2.202 1.00 73.13 N ATOM 882 CA PHE A 64 -6.824 11.192 2.669 1.00 53.34 C ATOM 883 C PHE A 64 -7.160 11.719 4.084 1.00 63.12 C ATOM 884 O PHE A 64 -8.333 11.808 4.464 1.00 1.11 O ATOM 885 CB PHE A 64 -6.702 12.355 1.648 1.00 33.14 C ATOM 886 CG PHE A 64 -6.440 11.890 0.208 1.00 11.45 C ATOM 887 CD1 PHE A 64 -7.500 11.610 -0.668 1.00 22.33 C ATOM 888 CD2 PHE A 64 -5.142 11.702 -0.258 1.00 41.04 C ATOM 889 CE1 PHE A 64 -7.262 11.158 -1.950 1.00 33.30 C ATOM 890 CE2 PHE A 64 -4.907 11.256 -1.542 1.00 0.50 C ATOM 891 CZ PHE A 64 -5.966 10.981 -2.387 1.00 22.43 C ATOM 0 H PHE A 64 -8.420 10.590 1.444 1.00 73.13 H new ATOM 0 HA PHE A 64 -5.863 10.683 2.739 1.00 53.34 H new ATOM 0 HB2 PHE A 64 -7.620 12.942 1.669 1.00 33.14 H new ATOM 0 HB3 PHE A 64 -5.893 13.016 1.959 1.00 33.14 H new ATOM 0 HD1 PHE A 64 -8.517 11.750 -0.334 1.00 22.33 H new ATOM 0 HD2 PHE A 64 -4.307 11.908 0.395 1.00 41.04 H new ATOM 0 HE1 PHE A 64 -8.089 10.943 -2.610 1.00 33.30 H new ATOM 0 HE2 PHE A 64 -3.893 11.121 -1.888 1.00 0.50 H new ATOM 0 HZ PHE A 64 -5.778 10.627 -3.390 1.00 22.43 H new ATOM 901 N ALA A 65 -6.123 12.026 4.871 1.00 13.42 N ATOM 902 CA ALA A 65 -6.268 12.530 6.254 1.00 32.11 C ATOM 903 C ALA A 65 -5.048 13.384 6.646 1.00 64.32 C ATOM 904 O ALA A 65 -3.969 13.210 6.084 1.00 32.11 O ATOM 905 CB ALA A 65 -6.452 11.357 7.236 1.00 24.33 C ATOM 0 H ALA A 65 -5.152 11.934 4.571 1.00 13.42 H new ATOM 0 HA ALA A 65 -7.156 13.160 6.304 1.00 32.11 H new ATOM 0 HB1 ALA A 65 -6.557 11.744 8.250 1.00 24.33 H new ATOM 0 HB2 ALA A 65 -7.346 10.795 6.968 1.00 24.33 H new ATOM 0 HB3 ALA A 65 -5.583 10.701 7.187 1.00 24.33 H new ATOM 911 N ALA A 66 -5.220 14.305 7.609 1.00 41.02 N ATOM 912 CA ALA A 66 -4.099 15.123 8.154 1.00 72.25 C ATOM 913 C ALA A 66 -3.298 14.334 9.242 1.00 62.10 C ATOM 914 O ALA A 66 -2.740 14.924 10.175 1.00 31.54 O ATOM 915 CB ALA A 66 -4.674 16.440 8.715 1.00 63.53 C ATOM 0 H ALA A 66 -6.124 14.510 8.034 1.00 41.02 H new ATOM 0 HA ALA A 66 -3.394 15.352 7.355 1.00 72.25 H new ATOM 0 HB1 ALA A 66 -3.864 17.048 9.117 1.00 63.53 H new ATOM 0 HB2 ALA A 66 -5.177 16.987 7.917 1.00 63.53 H new ATOM 0 HB3 ALA A 66 -5.388 16.217 9.508 1.00 63.53 H new ATOM 921 N ASP A 67 -3.213 12.992 9.072 1.00 41.52 N ATOM 922 CA ASP A 67 -2.714 12.050 10.096 1.00 20.32 C ATOM 923 C ASP A 67 -1.682 11.061 9.482 1.00 65.32 C ATOM 924 O ASP A 67 -1.075 11.337 8.445 1.00 11.34 O ATOM 925 CB ASP A 67 -3.926 11.274 10.698 1.00 53.10 C ATOM 926 CG ASP A 67 -5.019 12.199 11.245 1.00 5.03 C ATOM 927 OD1 ASP A 67 -4.763 12.909 12.240 1.00 60.24 O ATOM 928 OD2 ASP A 67 -6.138 12.232 10.680 1.00 24.02 O ATOM 0 H ASP A 67 -3.494 12.530 8.207 1.00 41.52 H new ATOM 0 HA ASP A 67 -2.207 12.607 10.884 1.00 20.32 H new ATOM 0 HB2 ASP A 67 -4.354 10.629 9.931 1.00 53.10 H new ATOM 0 HB3 ASP A 67 -3.573 10.625 11.499 1.00 53.10 H new ATOM 933 N ASP A 68 -1.453 9.932 10.176 1.00 54.21 N ATOM 934 CA ASP A 68 -0.643 8.793 9.671 1.00 2.14 C ATOM 935 C ASP A 68 -1.555 7.597 9.257 1.00 1.22 C ATOM 936 O ASP A 68 -1.066 6.565 8.785 1.00 12.33 O ATOM 937 CB ASP A 68 0.351 8.349 10.769 1.00 21.43 C ATOM 938 CG ASP A 68 1.248 9.504 11.253 1.00 33.33 C ATOM 939 OD1 ASP A 68 0.809 10.283 12.133 1.00 4.45 O ATOM 940 OD2 ASP A 68 2.383 9.649 10.755 1.00 73.14 O ATOM 0 H ASP A 68 -1.826 9.777 11.113 1.00 54.21 H new ATOM 0 HA ASP A 68 -0.094 9.117 8.787 1.00 2.14 H new ATOM 0 HB2 ASP A 68 -0.204 7.945 11.616 1.00 21.43 H new ATOM 0 HB3 ASP A 68 0.977 7.544 10.384 1.00 21.43 H new ATOM 945 N SER A 69 -2.884 7.773 9.439 1.00 53.30 N ATOM 946 CA SER A 69 -3.916 6.726 9.175 1.00 71.04 C ATOM 947 C SER A 69 -4.220 6.564 7.662 1.00 1.04 C ATOM 948 O SER A 69 -4.753 5.535 7.228 1.00 22.02 O ATOM 949 CB SER A 69 -5.213 7.087 9.939 1.00 54.21 C ATOM 950 OG SER A 69 -6.260 6.154 9.699 1.00 11.31 O ATOM 0 H SER A 69 -3.280 8.650 9.776 1.00 53.30 H new ATOM 0 HA SER A 69 -3.522 5.772 9.525 1.00 71.04 H new ATOM 0 HB2 SER A 69 -5.003 7.127 11.008 1.00 54.21 H new ATOM 0 HB3 SER A 69 -5.542 8.083 9.642 1.00 54.21 H new ATOM 0 HG SER A 69 -7.058 6.421 10.202 1.00 11.31 H new ATOM 956 N ASP A 70 -3.879 7.590 6.876 1.00 42.33 N ATOM 957 CA ASP A 70 -4.063 7.607 5.399 1.00 32.10 C ATOM 958 C ASP A 70 -2.877 6.903 4.684 1.00 63.32 C ATOM 959 O ASP A 70 -3.005 6.458 3.532 1.00 25.41 O ATOM 960 CB ASP A 70 -4.221 9.071 4.917 1.00 53.53 C ATOM 961 CG ASP A 70 -3.090 9.985 5.416 1.00 35.42 C ATOM 962 OD1 ASP A 70 -3.164 10.451 6.572 1.00 44.40 O ATOM 963 OD2 ASP A 70 -2.116 10.202 4.672 1.00 74.52 O ATOM 0 H ASP A 70 -3.462 8.447 7.239 1.00 42.33 H new ATOM 0 HA ASP A 70 -4.967 7.054 5.145 1.00 32.10 H new ATOM 0 HB2 ASP A 70 -4.244 9.090 3.827 1.00 53.53 H new ATOM 0 HB3 ASP A 70 -5.178 9.462 5.263 1.00 53.53 H new ATOM 968 N ASN A 71 -1.727 6.821 5.389 1.00 12.45 N ATOM 969 CA ASN A 71 -0.530 6.090 4.927 1.00 62.23 C ATOM 970 C ASN A 71 -0.817 4.564 4.924 1.00 24.11 C ATOM 971 O ASN A 71 -1.212 3.993 5.949 1.00 12.44 O ATOM 972 CB ASN A 71 0.687 6.431 5.840 1.00 64.41 C ATOM 973 CG ASN A 71 2.047 5.888 5.350 1.00 51.01 C ATOM 974 OD1 ASN A 71 2.149 4.870 4.670 1.00 43.11 O ATOM 975 ND2 ASN A 71 3.117 6.576 5.695 1.00 3.13 N ATOM 0 H ASN A 71 -1.604 7.263 6.300 1.00 12.45 H new ATOM 0 HA ASN A 71 -0.286 6.395 3.909 1.00 62.23 H new ATOM 0 HB2 ASN A 71 0.759 7.515 5.934 1.00 64.41 H new ATOM 0 HB3 ASN A 71 0.494 6.037 6.838 1.00 64.41 H new ATOM 0 HD21 ASN A 71 4.041 6.265 5.397 1.00 3.13 H new ATOM 0 HD22 ASN A 71 3.021 7.420 6.260 1.00 3.13 H new ATOM 982 N VAL A 72 -0.621 3.930 3.759 1.00 35.44 N ATOM 983 CA VAL A 72 -0.872 2.489 3.550 1.00 21.33 C ATOM 984 C VAL A 72 0.462 1.741 3.343 1.00 11.33 C ATOM 985 O VAL A 72 1.181 2.004 2.389 1.00 2.35 O ATOM 986 CB VAL A 72 -1.807 2.284 2.297 1.00 64.21 C ATOM 987 CG1 VAL A 72 -2.042 0.791 1.975 1.00 63.40 C ATOM 988 CG2 VAL A 72 -3.147 3.030 2.491 1.00 34.33 C ATOM 0 H VAL A 72 -0.280 4.405 2.923 1.00 35.44 H new ATOM 0 HA VAL A 72 -1.367 2.085 4.433 1.00 21.33 H new ATOM 0 HB VAL A 72 -1.292 2.711 1.437 1.00 64.21 H new ATOM 0 HG11 VAL A 72 -2.692 0.705 1.104 1.00 63.40 H new ATOM 0 HG12 VAL A 72 -1.087 0.310 1.764 1.00 63.40 H new ATOM 0 HG13 VAL A 72 -2.513 0.304 2.829 1.00 63.40 H new ATOM 0 HG21 VAL A 72 -3.779 2.877 1.616 1.00 34.33 H new ATOM 0 HG22 VAL A 72 -3.653 2.645 3.376 1.00 34.33 H new ATOM 0 HG23 VAL A 72 -2.955 4.095 2.618 1.00 34.33 H new ATOM 998 N VAL A 73 0.771 0.787 4.236 1.00 31.12 N ATOM 999 CA VAL A 73 2.011 -0.019 4.173 1.00 64.43 C ATOM 1000 C VAL A 73 1.675 -1.469 3.744 1.00 63.12 C ATOM 1001 O VAL A 73 1.062 -2.223 4.501 1.00 72.00 O ATOM 1002 CB VAL A 73 2.769 -0.019 5.560 1.00 25.34 C ATOM 1003 CG1 VAL A 73 4.105 -0.802 5.476 1.00 12.42 C ATOM 1004 CG2 VAL A 73 3.000 1.426 6.072 1.00 21.42 C ATOM 0 H VAL A 73 0.170 0.549 5.025 1.00 31.12 H new ATOM 0 HA VAL A 73 2.673 0.432 3.433 1.00 64.43 H new ATOM 0 HB VAL A 73 2.132 -0.531 6.281 1.00 25.34 H new ATOM 0 HG11 VAL A 73 4.600 -0.782 6.447 1.00 12.42 H new ATOM 0 HG12 VAL A 73 3.904 -1.835 5.192 1.00 12.42 H new ATOM 0 HG13 VAL A 73 4.751 -0.340 4.730 1.00 12.42 H new ATOM 0 HG21 VAL A 73 3.523 1.394 7.028 1.00 21.42 H new ATOM 0 HG22 VAL A 73 3.600 1.977 5.348 1.00 21.42 H new ATOM 0 HG23 VAL A 73 2.039 1.924 6.201 1.00 21.42 H new ATOM 1014 N ILE A 74 2.080 -1.839 2.517 1.00 12.41 N ATOM 1015 CA ILE A 74 1.838 -3.183 1.947 1.00 22.03 C ATOM 1016 C ILE A 74 3.006 -4.131 2.314 1.00 44.31 C ATOM 1017 O ILE A 74 4.128 -3.926 1.871 1.00 23.02 O ATOM 1018 CB ILE A 74 1.688 -3.120 0.377 1.00 23.40 C ATOM 1019 CG1 ILE A 74 0.578 -2.101 -0.053 1.00 40.11 C ATOM 1020 CG2 ILE A 74 1.408 -4.530 -0.206 1.00 21.20 C ATOM 1021 CD1 ILE A 74 -0.828 -2.438 0.429 1.00 2.30 C ATOM 0 H ILE A 74 2.586 -1.215 1.888 1.00 12.41 H new ATOM 0 HA ILE A 74 0.907 -3.563 2.368 1.00 22.03 H new ATOM 0 HB ILE A 74 2.633 -2.765 -0.033 1.00 23.40 H new ATOM 0 HG12 ILE A 74 0.847 -1.114 0.322 1.00 40.11 H new ATOM 0 HG13 ILE A 74 0.567 -2.037 -1.141 1.00 40.11 H new ATOM 0 HG21 ILE A 74 1.308 -4.463 -1.289 1.00 21.20 H new ATOM 0 HG22 ILE A 74 2.234 -5.197 0.042 1.00 21.20 H new ATOM 0 HG23 ILE A 74 0.485 -4.923 0.220 1.00 21.20 H new ATOM 0 HD11 ILE A 74 -1.524 -1.675 0.081 1.00 2.30 H new ATOM 0 HD12 ILE A 74 -1.126 -3.409 0.033 1.00 2.30 H new ATOM 0 HD13 ILE A 74 -0.841 -2.472 1.518 1.00 2.30 H new ATOM 1033 N HIS A 75 2.725 -5.173 3.108 1.00 40.12 N ATOM 1034 CA HIS A 75 3.744 -6.155 3.553 1.00 35.51 C ATOM 1035 C HIS A 75 3.801 -7.337 2.568 1.00 62.21 C ATOM 1036 O HIS A 75 2.754 -7.843 2.154 1.00 2.13 O ATOM 1037 CB HIS A 75 3.405 -6.649 4.981 1.00 11.12 C ATOM 1038 CG HIS A 75 3.482 -5.563 6.025 1.00 50.40 C ATOM 1039 ND1 HIS A 75 4.473 -5.511 6.979 1.00 41.23 N ATOM 1040 CD2 HIS A 75 2.698 -4.477 6.251 1.00 21.05 C ATOM 1041 CE1 HIS A 75 4.296 -4.455 7.738 1.00 51.24 C ATOM 1042 NE2 HIS A 75 3.229 -3.811 7.322 1.00 72.14 N ATOM 0 H HIS A 75 1.789 -5.366 3.464 1.00 40.12 H new ATOM 0 HA HIS A 75 4.723 -5.676 3.573 1.00 35.51 H new ATOM 0 HB2 HIS A 75 2.401 -7.073 4.982 1.00 11.12 H new ATOM 0 HB3 HIS A 75 4.090 -7.452 5.252 1.00 11.12 H new ATOM 0 HD1 HIS A 75 5.228 -6.189 7.080 1.00 41.23 H new ATOM 0 HD2 HIS A 75 1.820 -4.192 5.690 1.00 21.05 H new ATOM 0 HE1 HIS A 75 4.924 -4.164 8.567 1.00 51.24 H new ATOM 1051 N LEU A 76 5.028 -7.768 2.181 1.00 45.24 N ATOM 1052 CA LEU A 76 5.226 -8.835 1.156 1.00 51.34 C ATOM 1053 C LEU A 76 6.166 -9.974 1.648 1.00 2.45 C ATOM 1054 O LEU A 76 7.206 -9.719 2.240 1.00 31.23 O ATOM 1055 CB LEU A 76 5.813 -8.195 -0.141 1.00 31.12 C ATOM 1056 CG LEU A 76 4.958 -7.061 -0.802 1.00 43.11 C ATOM 1057 CD1 LEU A 76 5.669 -6.450 -2.029 1.00 50.22 C ATOM 1058 CD2 LEU A 76 3.542 -7.564 -1.162 1.00 20.33 C ATOM 0 H LEU A 76 5.898 -7.395 2.561 1.00 45.24 H new ATOM 0 HA LEU A 76 4.254 -9.286 0.959 1.00 51.34 H new ATOM 0 HB2 LEU A 76 6.797 -7.790 0.093 1.00 31.12 H new ATOM 0 HB3 LEU A 76 5.960 -8.986 -0.877 1.00 31.12 H new ATOM 0 HG LEU A 76 4.849 -6.265 -0.065 1.00 43.11 H new ATOM 0 HD11 LEU A 76 5.044 -5.667 -2.459 1.00 50.22 H new ATOM 0 HD12 LEU A 76 6.624 -6.024 -1.721 1.00 50.22 H new ATOM 0 HD13 LEU A 76 5.842 -7.227 -2.774 1.00 50.22 H new ATOM 0 HD21 LEU A 76 2.973 -6.754 -1.619 1.00 20.33 H new ATOM 0 HD22 LEU A 76 3.618 -8.394 -1.864 1.00 20.33 H new ATOM 0 HD23 LEU A 76 3.034 -7.899 -0.258 1.00 20.33 H new ATOM 1070 N LYS A 77 5.799 -11.238 1.335 1.00 45.44 N ATOM 1071 CA LYS A 77 6.646 -12.429 1.598 1.00 73.22 C ATOM 1072 C LYS A 77 7.507 -12.772 0.376 1.00 31.41 C ATOM 1073 O LYS A 77 7.404 -12.151 -0.669 1.00 32.41 O ATOM 1074 CB LYS A 77 5.785 -13.685 1.980 1.00 43.31 C ATOM 1075 CG LYS A 77 5.454 -13.835 3.480 1.00 2.30 C ATOM 1076 CD LYS A 77 4.877 -15.233 3.853 1.00 14.35 C ATOM 1077 CE LYS A 77 5.938 -16.365 3.870 1.00 34.14 C ATOM 1078 NZ LYS A 77 6.506 -16.685 2.523 1.00 3.31 N ATOM 0 H LYS A 77 4.908 -11.463 0.893 1.00 45.44 H new ATOM 0 HA LYS A 77 7.289 -12.173 2.440 1.00 73.22 H new ATOM 0 HB2 LYS A 77 4.849 -13.645 1.422 1.00 43.31 H new ATOM 0 HB3 LYS A 77 6.314 -14.580 1.652 1.00 43.31 H new ATOM 0 HG2 LYS A 77 6.358 -13.657 4.063 1.00 2.30 H new ATOM 0 HG3 LYS A 77 4.735 -13.067 3.764 1.00 2.30 H new ATOM 0 HD2 LYS A 77 4.409 -15.172 4.835 1.00 14.35 H new ATOM 0 HD3 LYS A 77 4.093 -15.493 3.142 1.00 14.35 H new ATOM 0 HE2 LYS A 77 6.751 -16.078 4.537 1.00 34.14 H new ATOM 0 HE3 LYS A 77 5.487 -17.266 4.287 1.00 34.14 H new ATOM 0 HZ1 LYS A 77 6.792 -17.685 2.495 1.00 3.31 H new ATOM 0 HZ2 LYS A 77 5.787 -16.510 1.793 1.00 3.31 H new ATOM 0 HZ3 LYS A 77 7.335 -16.083 2.344 1.00 3.31 H new ATOM 1092 N HIS A 78 8.415 -13.724 0.570 1.00 75.24 N ATOM 1093 CA HIS A 78 9.133 -14.402 -0.521 1.00 51.24 C ATOM 1094 C HIS A 78 8.504 -15.780 -0.817 1.00 71.33 C ATOM 1095 O HIS A 78 8.081 -16.487 0.105 1.00 54.44 O ATOM 1096 CB HIS A 78 10.622 -14.569 -0.143 1.00 44.21 C ATOM 1097 CG HIS A 78 11.328 -13.260 0.076 1.00 73.34 C ATOM 1098 ND1 HIS A 78 12.288 -13.078 1.047 1.00 4.13 N ATOM 1099 CD2 HIS A 78 11.221 -12.073 -0.570 1.00 25.12 C ATOM 1100 CE1 HIS A 78 12.742 -11.852 0.982 1.00 64.45 C ATOM 1101 NE2 HIS A 78 12.113 -11.222 0.011 1.00 41.34 N ATOM 0 H HIS A 78 8.681 -14.055 1.497 1.00 75.24 H new ATOM 0 HA HIS A 78 9.056 -13.791 -1.420 1.00 51.24 H new ATOM 0 HB2 HIS A 78 10.695 -15.170 0.764 1.00 44.21 H new ATOM 0 HB3 HIS A 78 11.131 -15.121 -0.933 1.00 44.21 H new ATOM 0 HD2 HIS A 78 10.555 -11.845 -1.389 1.00 25.12 H new ATOM 0 HE1 HIS A 78 13.505 -11.428 1.618 1.00 64.45 H new ATOM 0 HE2 HIS A 78 12.269 -10.252 -0.262 1.00 41.34 H new ATOM 1110 N GLY A 79 8.467 -16.143 -2.106 1.00 72.52 N ATOM 1111 CA GLY A 79 8.150 -17.515 -2.528 1.00 15.34 C ATOM 1112 C GLY A 79 9.427 -18.303 -2.851 1.00 34.13 C ATOM 1113 O GLY A 79 10.529 -17.906 -2.445 1.00 42.23 O ATOM 0 H GLY A 79 8.653 -15.503 -2.878 1.00 72.52 H new ATOM 0 HA2 GLY A 79 7.596 -18.023 -1.739 1.00 15.34 H new ATOM 0 HA3 GLY A 79 7.504 -17.489 -3.405 1.00 15.34 H new ATOM 1117 N LEU A 80 9.290 -19.427 -3.578 1.00 15.13 N ATOM 1118 CA LEU A 80 10.461 -20.189 -4.077 1.00 42.21 C ATOM 1119 C LEU A 80 10.851 -19.714 -5.489 1.00 30.13 C ATOM 1120 O LEU A 80 10.134 -19.983 -6.460 1.00 72.11 O ATOM 1121 CB LEU A 80 10.189 -21.720 -4.055 1.00 13.03 C ATOM 1122 CG LEU A 80 10.090 -22.370 -2.636 1.00 14.44 C ATOM 1123 CD1 LEU A 80 9.845 -23.890 -2.740 1.00 33.12 C ATOM 1124 CD2 LEU A 80 11.351 -22.060 -1.791 1.00 74.31 C ATOM 0 H LEU A 80 8.389 -19.830 -3.834 1.00 15.13 H new ATOM 0 HA LEU A 80 11.300 -19.997 -3.408 1.00 42.21 H new ATOM 0 HB2 LEU A 80 9.258 -21.913 -4.589 1.00 13.03 H new ATOM 0 HB3 LEU A 80 10.984 -22.220 -4.609 1.00 13.03 H new ATOM 0 HG LEU A 80 9.234 -21.930 -2.124 1.00 14.44 H new ATOM 0 HD11 LEU A 80 9.780 -24.317 -1.739 1.00 33.12 H new ATOM 0 HD12 LEU A 80 8.912 -24.073 -3.274 1.00 33.12 H new ATOM 0 HD13 LEU A 80 10.669 -24.355 -3.281 1.00 33.12 H new ATOM 0 HD21 LEU A 80 11.255 -22.524 -0.810 1.00 74.31 H new ATOM 0 HD22 LEU A 80 12.233 -22.456 -2.295 1.00 74.31 H new ATOM 0 HD23 LEU A 80 11.454 -20.981 -1.673 1.00 74.31 H new ATOM 1136 N GLU A 81 11.981 -18.988 -5.589 1.00 73.35 N ATOM 1137 CA GLU A 81 12.525 -18.521 -6.881 1.00 43.15 C ATOM 1138 C GLU A 81 13.266 -19.660 -7.625 1.00 65.10 C ATOM 1139 O GLU A 81 13.679 -20.659 -7.016 1.00 73.23 O ATOM 1140 CB GLU A 81 13.518 -17.336 -6.665 1.00 24.01 C ATOM 1141 CG GLU A 81 14.818 -17.718 -5.908 1.00 55.11 C ATOM 1142 CD GLU A 81 15.914 -16.639 -5.960 1.00 71.25 C ATOM 1143 OE1 GLU A 81 16.648 -16.576 -6.976 1.00 21.30 O ATOM 1144 OE2 GLU A 81 16.054 -15.855 -4.993 1.00 53.00 O ATOM 0 H GLU A 81 12.540 -18.710 -4.783 1.00 73.35 H new ATOM 0 HA GLU A 81 11.680 -18.190 -7.484 1.00 43.15 H new ATOM 0 HB2 GLU A 81 13.786 -16.921 -7.637 1.00 24.01 H new ATOM 0 HB3 GLU A 81 13.008 -16.547 -6.112 1.00 24.01 H new ATOM 0 HG2 GLU A 81 14.573 -17.922 -4.866 1.00 55.11 H new ATOM 0 HG3 GLU A 81 15.213 -18.643 -6.329 1.00 55.11 H new ATOM 1151 N HIS A 82 13.431 -19.498 -8.939 1.00 70.34 N ATOM 1152 CA HIS A 82 14.381 -20.300 -9.720 1.00 45.20 C ATOM 1153 C HIS A 82 15.725 -19.546 -9.739 1.00 62.23 C ATOM 1154 O HIS A 82 15.753 -18.385 -10.141 1.00 0.32 O ATOM 1155 CB HIS A 82 13.860 -20.528 -11.159 1.00 72.12 C ATOM 1156 CG HIS A 82 14.720 -21.462 -11.988 1.00 54.11 C ATOM 1157 ND1 HIS A 82 14.541 -22.827 -11.997 1.00 71.21 N ATOM 1158 CD2 HIS A 82 15.774 -21.226 -12.819 1.00 51.02 C ATOM 1159 CE1 HIS A 82 15.434 -23.385 -12.783 1.00 71.13 C ATOM 1160 NE2 HIS A 82 16.190 -22.442 -13.296 1.00 11.11 N ATOM 0 H HIS A 82 12.915 -18.813 -9.491 1.00 70.34 H new ATOM 0 HA HIS A 82 14.505 -21.283 -9.266 1.00 45.20 H new ATOM 0 HB2 HIS A 82 12.849 -20.932 -11.108 1.00 72.12 H new ATOM 0 HB3 HIS A 82 13.794 -19.566 -11.667 1.00 72.12 H new ATOM 0 HD2 HIS A 82 16.201 -20.263 -13.057 1.00 51.02 H new ATOM 0 HE1 HIS A 82 15.530 -24.443 -12.975 1.00 71.13 H new ATOM 0 HE2 HIS A 82 16.963 -22.590 -13.945 1.00 11.11 H new ATOM 1169 N HIS A 83 16.810 -20.212 -9.293 1.00 31.01 N ATOM 1170 CA HIS A 83 18.182 -19.640 -9.238 1.00 73.42 C ATOM 1171 C HIS A 83 18.600 -18.993 -10.594 1.00 62.10 C ATOM 1172 O HIS A 83 18.813 -19.691 -11.592 1.00 32.42 O ATOM 1173 CB HIS A 83 19.171 -20.763 -8.827 1.00 1.44 C ATOM 1174 CG HIS A 83 20.618 -20.344 -8.714 1.00 64.33 C ATOM 1175 ND1 HIS A 83 21.614 -20.887 -9.495 1.00 1.33 N ATOM 1176 CD2 HIS A 83 21.239 -19.475 -7.880 1.00 43.24 C ATOM 1177 CE1 HIS A 83 22.773 -20.383 -9.144 1.00 31.13 C ATOM 1178 NE2 HIS A 83 22.580 -19.525 -8.166 1.00 54.52 N ATOM 0 H HIS A 83 16.763 -21.174 -8.956 1.00 31.01 H new ATOM 0 HA HIS A 83 18.202 -18.840 -8.498 1.00 73.42 H new ATOM 0 HB2 HIS A 83 18.853 -21.171 -7.868 1.00 1.44 H new ATOM 0 HB3 HIS A 83 19.100 -21.571 -9.556 1.00 1.44 H new ATOM 0 HD2 HIS A 83 20.766 -18.858 -7.130 1.00 43.24 H new ATOM 0 HE1 HIS A 83 23.727 -20.631 -9.585 1.00 31.13 H new ATOM 0 HE2 HIS A 83 23.308 -18.985 -7.697 1.00 54.52 H new ATOM 1187 N HIS A 84 18.700 -17.648 -10.602 1.00 62.21 N ATOM 1188 CA HIS A 84 18.882 -16.851 -11.839 1.00 13.35 C ATOM 1189 C HIS A 84 19.996 -15.785 -11.681 1.00 11.01 C ATOM 1190 O HIS A 84 20.104 -15.129 -10.634 1.00 53.22 O ATOM 1191 CB HIS A 84 17.532 -16.190 -12.235 1.00 3.41 C ATOM 1192 CG HIS A 84 16.962 -15.211 -11.227 1.00 62.12 C ATOM 1193 ND1 HIS A 84 16.290 -15.596 -10.089 1.00 30.41 N ATOM 1194 CD2 HIS A 84 16.951 -13.855 -11.204 1.00 4.35 C ATOM 1195 CE1 HIS A 84 15.890 -14.538 -9.429 1.00 71.05 C ATOM 1196 NE2 HIS A 84 16.275 -13.469 -10.081 1.00 41.00 N ATOM 0 H HIS A 84 18.657 -17.082 -9.755 1.00 62.21 H new ATOM 0 HA HIS A 84 19.200 -17.524 -12.635 1.00 13.35 H new ATOM 0 HB2 HIS A 84 17.667 -15.670 -13.184 1.00 3.41 H new ATOM 0 HB3 HIS A 84 16.798 -16.978 -12.405 1.00 3.41 H new ATOM 0 HD1 HIS A 84 16.128 -16.561 -9.803 1.00 30.41 H new ATOM 0 HD2 HIS A 84 17.395 -13.200 -11.939 1.00 4.35 H new ATOM 0 HE1 HIS A 84 15.336 -14.546 -8.502 1.00 71.05 H new ATOM 1205 N HIS A 85 20.815 -15.622 -12.738 1.00 4.23 N ATOM 1206 CA HIS A 85 21.912 -14.635 -12.772 1.00 1.34 C ATOM 1207 C HIS A 85 21.371 -13.264 -13.251 1.00 72.43 C ATOM 1208 O HIS A 85 21.205 -13.036 -14.456 1.00 23.14 O ATOM 1209 CB HIS A 85 23.047 -15.146 -13.696 1.00 44.22 C ATOM 1210 CG HIS A 85 24.295 -14.298 -13.682 1.00 43.15 C ATOM 1211 ND1 HIS A 85 24.500 -13.234 -14.536 1.00 31.04 N ATOM 1212 CD2 HIS A 85 25.408 -14.368 -12.913 1.00 22.55 C ATOM 1213 CE1 HIS A 85 25.677 -12.696 -14.296 1.00 13.25 C ATOM 1214 NE2 HIS A 85 26.248 -13.363 -13.316 1.00 23.40 N ATOM 0 H HIS A 85 20.735 -16.172 -13.593 1.00 4.23 H new ATOM 0 HA HIS A 85 22.321 -14.506 -11.770 1.00 1.34 H new ATOM 0 HB2 HIS A 85 23.310 -16.162 -13.400 1.00 44.22 H new ATOM 0 HB3 HIS A 85 22.670 -15.199 -14.718 1.00 44.22 H new ATOM 0 HD2 HIS A 85 25.598 -15.084 -12.127 1.00 22.55 H new ATOM 0 HE1 HIS A 85 26.102 -11.850 -14.816 1.00 13.25 H new ATOM 0 HE2 HIS A 85 27.167 -13.164 -12.920 1.00 23.40 H new ATOM 1223 N HIS A 86 21.086 -12.364 -12.291 1.00 2.55 N ATOM 1224 CA HIS A 86 20.481 -11.040 -12.573 1.00 74.21 C ATOM 1225 C HIS A 86 21.131 -9.933 -11.713 1.00 75.11 C ATOM 1226 O HIS A 86 21.340 -10.112 -10.510 1.00 24.00 O ATOM 1227 CB HIS A 86 18.952 -11.101 -12.327 1.00 71.31 C ATOM 1228 CG HIS A 86 18.192 -9.854 -12.724 1.00 51.30 C ATOM 1229 ND1 HIS A 86 17.829 -9.579 -14.025 1.00 14.23 N ATOM 1230 CD2 HIS A 86 17.737 -8.808 -11.988 1.00 20.14 C ATOM 1231 CE1 HIS A 86 17.187 -8.433 -14.067 1.00 72.12 C ATOM 1232 NE2 HIS A 86 17.119 -7.945 -12.850 1.00 34.33 N ATOM 0 H HIS A 86 21.266 -12.529 -11.301 1.00 2.55 H new ATOM 0 HA HIS A 86 20.663 -10.791 -13.618 1.00 74.21 H new ATOM 0 HB2 HIS A 86 18.544 -11.948 -12.878 1.00 71.31 H new ATOM 0 HB3 HIS A 86 18.776 -11.294 -11.269 1.00 71.31 H new ATOM 0 HD2 HIS A 86 17.843 -8.681 -10.921 1.00 20.14 H new ATOM 0 HE1 HIS A 86 16.783 -7.970 -14.955 1.00 72.12 H new ATOM 0 HE2 HIS A 86 16.676 -7.064 -12.589 1.00 34.33 H new ATOM 1241 N HIS A 87 21.429 -8.786 -12.353 1.00 63.15 N ATOM 1242 CA HIS A 87 22.000 -7.593 -11.680 1.00 12.22 C ATOM 1243 C HIS A 87 20.881 -6.602 -11.284 1.00 22.42 C ATOM 1244 O HIS A 87 19.989 -6.938 -10.503 1.00 10.13 O ATOM 1245 CB HIS A 87 23.029 -6.921 -12.626 1.00 13.52 C ATOM 1246 CG HIS A 87 23.709 -5.690 -12.073 1.00 34.12 C ATOM 1247 ND1 HIS A 87 24.768 -5.748 -11.192 1.00 13.55 N ATOM 1248 CD2 HIS A 87 23.491 -4.369 -12.299 1.00 42.24 C ATOM 1249 CE1 HIS A 87 25.168 -4.526 -10.907 1.00 33.13 C ATOM 1250 NE2 HIS A 87 24.414 -3.678 -11.564 1.00 24.03 N ATOM 0 H HIS A 87 21.282 -8.656 -13.354 1.00 63.15 H new ATOM 0 HA HIS A 87 22.505 -7.900 -10.764 1.00 12.22 H new ATOM 0 HB2 HIS A 87 23.794 -7.654 -12.883 1.00 13.52 H new ATOM 0 HB3 HIS A 87 22.523 -6.651 -13.553 1.00 13.52 H new ATOM 0 HD2 HIS A 87 22.732 -3.944 -12.939 1.00 42.24 H new ATOM 0 HE1 HIS A 87 25.980 -4.266 -10.244 1.00 33.13 H new ATOM 0 HE2 HIS A 87 24.502 -2.662 -11.532 1.00 24.03 H new TER 1259 HIS A 87