USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 17 THR OG1 : rot 165:sc= 0.871 USER MOD Set 1.2: A 66 THR OG1 : rot -15:sc= 0.443! USER MOD Single : A 3 THR OG1 : rot -20:sc= 0.495 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 6 THR OG1 : rot -103:sc= 0.403 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -123:sc= -10.4! (180deg=-18.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -73:sc= 1.27 USER MOD Single : A 29 THR OG1 : rot 149:sc= 0.325 USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= 1.02 (180deg=0.133) USER MOD Single : A 36 SER OG : rot 170:sc= 0.967 USER MOD Single : A 43 TYR OH : rot 32:sc= 0.862 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.5) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N THR A 3 0.635 4.110 -2.702 1.00 72.12 N ATOM 29 CA THR A 3 0.953 5.532 -2.687 1.00 42.00 C ATOM 30 C THR A 3 0.526 6.205 -3.986 1.00 62.05 C ATOM 31 O THR A 3 0.362 5.546 -5.014 1.00 2.33 O ATOM 32 CB THR A 3 2.460 5.768 -2.471 1.00 50.10 C ATOM 33 OG1 THR A 3 3.215 4.731 -3.108 1.00 35.13 O ATOM 34 CG2 THR A 3 2.794 5.808 -0.987 1.00 63.35 C ATOM 0 HA THR A 3 0.401 5.970 -1.856 1.00 42.00 H new ATOM 0 HB THR A 3 2.722 6.730 -2.912 1.00 50.10 H new ATOM 0 HG1 THR A 3 2.641 3.950 -3.253 1.00 35.13 H new ATOM 0 HG21 THR A 3 3.863 5.976 -0.859 1.00 63.35 H new ATOM 0 HG22 THR A 3 2.240 6.617 -0.511 1.00 63.35 H new ATOM 0 HG23 THR A 3 2.518 4.860 -0.526 1.00 63.35 H new ATOM 42 N PHE A 4 0.348 7.521 -3.935 1.00 61.12 N ATOM 43 CA PHE A 4 -0.060 8.283 -5.109 1.00 54.41 C ATOM 44 C PHE A 4 0.552 9.681 -5.090 1.00 71.11 C ATOM 45 O PHE A 4 0.300 10.467 -4.177 1.00 62.02 O ATOM 46 CB PHE A 4 -1.586 8.384 -5.173 1.00 61.40 C ATOM 47 CG PHE A 4 -2.100 8.856 -6.503 1.00 34.32 C ATOM 48 CD1 PHE A 4 -2.250 10.208 -6.762 1.00 42.52 C ATOM 49 CD2 PHE A 4 -2.435 7.946 -7.493 1.00 53.43 C ATOM 50 CE1 PHE A 4 -2.723 10.646 -7.985 1.00 3.30 C ATOM 51 CE2 PHE A 4 -2.908 8.378 -8.718 1.00 52.41 C ATOM 52 CZ PHE A 4 -3.053 9.730 -8.964 1.00 33.22 C ATOM 0 H PHE A 4 0.480 8.082 -3.093 1.00 61.12 H new ATOM 0 HA PHE A 4 0.301 7.759 -5.994 1.00 54.41 H new ATOM 0 HB2 PHE A 4 -2.016 7.407 -4.952 1.00 61.40 H new ATOM 0 HB3 PHE A 4 -1.930 9.067 -4.396 1.00 61.40 H new ATOM 0 HD1 PHE A 4 -1.994 10.929 -6.000 1.00 42.52 H new ATOM 0 HD2 PHE A 4 -2.325 6.888 -7.306 1.00 53.43 H new ATOM 0 HE1 PHE A 4 -2.834 11.703 -8.174 1.00 3.30 H new ATOM 0 HE2 PHE A 4 -3.164 7.659 -9.482 1.00 52.41 H new ATOM 0 HZ PHE A 4 -3.424 10.069 -9.920 1.00 33.22 H new ATOM 62 N GLN A 5 1.357 9.982 -6.104 1.00 21.51 N ATOM 63 CA GLN A 5 2.007 11.283 -6.203 1.00 14.31 C ATOM 64 C GLN A 5 1.675 11.957 -7.530 1.00 44.24 C ATOM 65 O GLN A 5 1.671 11.315 -8.581 1.00 43.44 O ATOM 66 CB GLN A 5 3.522 11.133 -6.058 1.00 11.23 C ATOM 67 CG GLN A 5 4.289 12.418 -6.327 1.00 21.33 C ATOM 68 CD GLN A 5 5.067 12.372 -7.627 1.00 74.42 C ATOM 69 OE1 GLN A 5 4.492 12.477 -8.711 1.00 44.43 O ATOM 70 NE2 GLN A 5 6.381 12.213 -7.526 1.00 42.10 N ATOM 0 H GLN A 5 1.574 9.343 -6.868 1.00 21.51 H new ATOM 0 HA GLN A 5 1.633 11.910 -5.394 1.00 14.31 H new ATOM 0 HB2 GLN A 5 3.750 10.788 -5.049 1.00 11.23 H new ATOM 0 HB3 GLN A 5 3.870 10.361 -6.745 1.00 11.23 H new ATOM 0 HG2 GLN A 5 3.591 13.254 -6.355 1.00 21.33 H new ATOM 0 HG3 GLN A 5 4.977 12.605 -5.503 1.00 21.33 H new ATOM 0 HE21 GLN A 5 6.816 12.130 -6.607 1.00 42.10 H new ATOM 0 HE22 GLN A 5 6.956 12.174 -8.367 1.00 42.10 H new ATOM 79 N THR A 6 1.397 13.256 -7.476 1.00 2.21 N ATOM 80 CA THR A 6 1.063 14.017 -8.673 1.00 42.11 C ATOM 81 C THR A 6 1.557 15.455 -8.566 1.00 13.41 C ATOM 82 O THR A 6 1.194 16.178 -7.638 1.00 5.53 O ATOM 83 CB THR A 6 -0.456 14.025 -8.928 1.00 41.30 C ATOM 84 OG1 THR A 6 -0.759 14.850 -10.059 1.00 5.13 O ATOM 85 CG2 THR A 6 -1.207 14.534 -7.707 1.00 3.51 C ATOM 0 H THR A 6 1.397 13.803 -6.615 1.00 2.21 H new ATOM 0 HA THR A 6 1.561 13.526 -9.509 1.00 42.11 H new ATOM 0 HB THR A 6 -0.773 13.002 -9.130 1.00 41.30 H new ATOM 0 HG1 THR A 6 -1.124 15.706 -9.751 1.00 5.13 H new ATOM 0 HG21 THR A 6 -2.278 14.531 -7.911 1.00 3.51 H new ATOM 0 HG22 THR A 6 -0.998 13.887 -6.855 1.00 3.51 H new ATOM 0 HG23 THR A 6 -0.884 15.550 -7.479 1.00 3.51 H new ATOM 93 N ASP A 7 2.384 15.865 -9.521 1.00 63.41 N ATOM 94 CA ASP A 7 2.926 17.218 -9.535 1.00 4.41 C ATOM 95 C ASP A 7 2.055 18.144 -10.378 1.00 11.10 C ATOM 96 O ASP A 7 2.561 18.943 -11.165 1.00 5.32 O ATOM 97 CB ASP A 7 4.357 17.212 -10.075 1.00 42.33 C ATOM 98 CG ASP A 7 4.468 16.506 -11.412 1.00 22.40 C ATOM 99 OD1 ASP A 7 3.439 16.391 -12.110 1.00 72.12 O ATOM 100 OD2 ASP A 7 5.584 16.068 -11.760 1.00 45.14 O ATOM 0 H ASP A 7 2.694 15.279 -10.296 1.00 63.41 H new ATOM 0 HA ASP A 7 2.934 17.590 -8.510 1.00 4.41 H new ATOM 0 HB2 ASP A 7 4.707 18.239 -10.179 1.00 42.33 H new ATOM 0 HB3 ASP A 7 5.012 16.724 -9.354 1.00 42.33 H new ATOM 105 N ALA A 8 0.742 18.029 -10.208 1.00 52.23 N ATOM 106 CA ALA A 8 -0.200 18.856 -10.953 1.00 2.23 C ATOM 107 C ALA A 8 -1.636 18.577 -10.521 1.00 44.32 C ATOM 108 O ALA A 8 -1.904 17.605 -9.816 1.00 30.33 O ATOM 109 CB ALA A 8 -0.041 18.622 -12.448 1.00 20.34 C ATOM 0 H ALA A 8 0.306 17.371 -9.561 1.00 52.23 H new ATOM 0 HA ALA A 8 0.021 19.901 -10.735 1.00 2.23 H new ATOM 0 HB1 ALA A 8 -0.751 19.246 -12.991 1.00 20.34 H new ATOM 0 HB2 ALA A 8 0.974 18.879 -12.751 1.00 20.34 H new ATOM 0 HB3 ALA A 8 -0.233 17.573 -12.675 1.00 20.34 H new ATOM 115 N ASP A 9 -2.554 19.437 -10.948 1.00 72.45 N ATOM 116 CA ASP A 9 -3.963 19.282 -10.606 1.00 54.34 C ATOM 117 C ASP A 9 -4.451 17.874 -10.934 1.00 11.42 C ATOM 118 O ASP A 9 -3.858 17.176 -11.756 1.00 41.33 O ATOM 119 CB ASP A 9 -4.808 20.315 -11.355 1.00 22.14 C ATOM 120 CG ASP A 9 -4.560 20.291 -12.850 1.00 51.41 C ATOM 121 OD1 ASP A 9 -3.951 19.315 -13.336 1.00 34.32 O ATOM 122 OD2 ASP A 9 -4.976 21.249 -13.535 1.00 5.10 O ATOM 0 H ASP A 9 -2.348 20.248 -11.531 1.00 72.45 H new ATOM 0 HA ASP A 9 -4.071 19.444 -9.533 1.00 54.34 H new ATOM 0 HB2 ASP A 9 -5.864 20.126 -11.162 1.00 22.14 H new ATOM 0 HB3 ASP A 9 -4.587 21.310 -10.969 1.00 22.14 H new ATOM 127 N PHE A 10 -5.535 17.463 -10.284 1.00 3.02 N ATOM 128 CA PHE A 10 -6.101 16.137 -10.504 1.00 52.51 C ATOM 129 C PHE A 10 -7.597 16.128 -10.201 1.00 24.22 C ATOM 130 O PHE A 10 -8.119 17.044 -9.564 1.00 64.01 O ATOM 131 CB PHE A 10 -5.386 15.103 -9.633 1.00 60.30 C ATOM 132 CG PHE A 10 -5.288 15.500 -8.188 1.00 14.31 C ATOM 133 CD1 PHE A 10 -6.343 15.269 -7.319 1.00 63.13 C ATOM 134 CD2 PHE A 10 -4.142 16.106 -7.698 1.00 55.13 C ATOM 135 CE1 PHE A 10 -6.256 15.633 -5.989 1.00 11.23 C ATOM 136 CE2 PHE A 10 -4.050 16.472 -6.369 1.00 1.22 C ATOM 137 CZ PHE A 10 -5.108 16.237 -5.513 1.00 74.43 C ATOM 0 H PHE A 10 -6.039 18.029 -9.601 1.00 3.02 H new ATOM 0 HA PHE A 10 -5.959 15.878 -11.553 1.00 52.51 H new ATOM 0 HB2 PHE A 10 -5.914 14.152 -9.705 1.00 60.30 H new ATOM 0 HB3 PHE A 10 -4.382 14.941 -10.026 1.00 60.30 H new ATOM 0 HD1 PHE A 10 -7.244 14.799 -7.686 1.00 63.13 H new ATOM 0 HD2 PHE A 10 -3.312 16.294 -8.362 1.00 55.13 H new ATOM 0 HE1 PHE A 10 -7.085 15.446 -5.322 1.00 11.23 H new ATOM 0 HE2 PHE A 10 -3.151 16.942 -5.999 1.00 1.22 H new ATOM 0 HZ PHE A 10 -5.038 16.525 -4.474 1.00 74.43 H new ATOM 147 N LEU A 11 -8.281 15.086 -10.661 1.00 43.45 N ATOM 148 CA LEU A 11 -9.717 14.956 -10.441 1.00 2.23 C ATOM 149 C LEU A 11 -10.008 13.957 -9.326 1.00 20.40 C ATOM 150 O LEU A 11 -9.190 13.084 -9.031 1.00 34.30 O ATOM 151 CB LEU A 11 -10.413 14.517 -11.730 1.00 32.21 C ATOM 152 CG LEU A 11 -10.675 15.616 -12.760 1.00 3.42 C ATOM 153 CD1 LEU A 11 -10.941 15.012 -14.130 1.00 2.32 C ATOM 154 CD2 LEU A 11 -11.843 16.489 -12.324 1.00 23.25 C ATOM 0 H LEU A 11 -7.864 14.319 -11.189 1.00 43.45 H new ATOM 0 HA LEU A 11 -10.104 15.930 -10.141 1.00 2.23 H new ATOM 0 HB2 LEU A 11 -9.807 13.743 -12.201 1.00 32.21 H new ATOM 0 HB3 LEU A 11 -11.366 14.059 -11.466 1.00 32.21 H new ATOM 0 HG LEU A 11 -9.785 16.242 -12.828 1.00 3.42 H new ATOM 0 HD11 LEU A 11 -11.125 15.810 -14.850 1.00 2.32 H new ATOM 0 HD12 LEU A 11 -10.074 14.431 -14.446 1.00 2.32 H new ATOM 0 HD13 LEU A 11 -11.814 14.362 -14.078 1.00 2.32 H new ATOM 0 HD21 LEU A 11 -12.015 17.266 -13.069 1.00 23.25 H new ATOM 0 HD22 LEU A 11 -12.739 15.876 -12.226 1.00 23.25 H new ATOM 0 HD23 LEU A 11 -11.613 16.952 -11.364 1.00 23.25 H new ATOM 166 N LEU A 12 -11.178 14.088 -8.711 1.00 51.41 N ATOM 167 CA LEU A 12 -11.579 13.195 -7.630 1.00 11.13 C ATOM 168 C LEU A 12 -13.011 12.709 -7.828 1.00 12.03 C ATOM 169 O LEU A 12 -13.917 13.502 -8.084 1.00 73.01 O ATOM 170 CB LEU A 12 -11.451 13.906 -6.281 1.00 74.50 C ATOM 171 CG LEU A 12 -11.566 13.018 -5.041 1.00 63.23 C ATOM 172 CD1 LEU A 12 -10.223 12.382 -4.715 1.00 35.24 C ATOM 173 CD2 LEU A 12 -12.080 13.821 -3.856 1.00 10.14 C ATOM 0 H LEU A 12 -11.866 14.805 -8.943 1.00 51.41 H new ATOM 0 HA LEU A 12 -10.917 12.329 -7.642 1.00 11.13 H new ATOM 0 HB2 LEU A 12 -10.487 14.415 -6.251 1.00 74.50 H new ATOM 0 HB3 LEU A 12 -12.220 14.676 -6.224 1.00 74.50 H new ATOM 0 HG LEU A 12 -12.281 12.222 -5.252 1.00 63.23 H new ATOM 0 HD11 LEU A 12 -10.323 11.754 -3.830 1.00 35.24 H new ATOM 0 HD12 LEU A 12 -9.895 11.773 -5.557 1.00 35.24 H new ATOM 0 HD13 LEU A 12 -9.487 13.163 -4.524 1.00 35.24 H new ATOM 0 HD21 LEU A 12 -12.156 13.173 -2.983 1.00 10.14 H new ATOM 0 HD22 LEU A 12 -11.390 14.638 -3.643 1.00 10.14 H new ATOM 0 HD23 LEU A 12 -13.063 14.228 -4.092 1.00 10.14 H new ATOM 185 N VAL A 13 -13.209 11.400 -7.705 1.00 1.21 N ATOM 186 CA VAL A 13 -14.531 10.808 -7.867 1.00 14.20 C ATOM 187 C VAL A 13 -14.962 10.072 -6.604 1.00 35.04 C ATOM 188 O VAL A 13 -14.256 9.192 -6.113 1.00 42.34 O ATOM 189 CB VAL A 13 -14.566 9.829 -9.056 1.00 13.34 C ATOM 190 CG1 VAL A 13 -15.969 9.273 -9.249 1.00 1.24 C ATOM 191 CG2 VAL A 13 -14.076 10.513 -10.323 1.00 1.10 C ATOM 0 H VAL A 13 -12.470 10.730 -7.494 1.00 1.21 H new ATOM 0 HA VAL A 13 -15.223 11.628 -8.060 1.00 14.20 H new ATOM 0 HB VAL A 13 -13.898 8.996 -8.838 1.00 13.34 H new ATOM 0 HG11 VAL A 13 -15.974 8.584 -10.093 1.00 1.24 H new ATOM 0 HG12 VAL A 13 -16.278 8.745 -8.347 1.00 1.24 H new ATOM 0 HG13 VAL A 13 -16.661 10.092 -9.445 1.00 1.24 H new ATOM 0 HG21 VAL A 13 -14.107 9.807 -11.153 1.00 1.10 H new ATOM 0 HG22 VAL A 13 -14.717 11.366 -10.547 1.00 1.10 H new ATOM 0 HG23 VAL A 13 -13.052 10.857 -10.178 1.00 1.10 H new ATOM 201 N GLY A 14 -16.129 10.438 -6.081 1.00 1.05 N ATOM 202 CA GLY A 14 -16.635 9.802 -4.878 1.00 50.03 C ATOM 203 C GLY A 14 -18.118 10.044 -4.675 1.00 25.33 C ATOM 204 O GLY A 14 -18.898 9.991 -5.625 1.00 52.12 O ATOM 0 H GLY A 14 -16.733 11.163 -6.469 1.00 1.05 H new ATOM 0 HA2 GLY A 14 -16.449 8.729 -4.932 1.00 50.03 H new ATOM 0 HA3 GLY A 14 -16.087 10.178 -4.014 1.00 50.03 H new ATOM 208 N ASP A 15 -18.507 10.308 -3.432 1.00 71.44 N ATOM 209 CA ASP A 15 -19.906 10.558 -3.107 1.00 34.43 C ATOM 210 C ASP A 15 -20.182 12.055 -3.008 1.00 73.32 C ATOM 211 O ASP A 15 -21.190 12.474 -2.439 1.00 54.03 O ATOM 212 CB ASP A 15 -20.277 9.870 -1.791 1.00 44.54 C ATOM 213 CG ASP A 15 -21.773 9.851 -1.550 1.00 32.23 C ATOM 214 OD1 ASP A 15 -22.499 9.252 -2.371 1.00 44.51 O ATOM 215 OD2 ASP A 15 -22.219 10.435 -0.540 1.00 31.35 O ATOM 0 H ASP A 15 -17.873 10.354 -2.634 1.00 71.44 H new ATOM 0 HA ASP A 15 -20.519 10.146 -3.909 1.00 34.43 H new ATOM 0 HB2 ASP A 15 -19.900 8.847 -1.800 1.00 44.54 H new ATOM 0 HB3 ASP A 15 -19.785 10.383 -0.965 1.00 44.54 H new ATOM 220 N ASP A 16 -19.280 12.855 -3.565 1.00 10.23 N ATOM 221 CA ASP A 16 -19.426 14.306 -3.540 1.00 21.14 C ATOM 222 C ASP A 16 -19.686 14.801 -2.121 1.00 12.55 C ATOM 223 O ASP A 16 -20.697 15.453 -1.854 1.00 22.22 O ATOM 224 CB ASP A 16 -20.565 14.741 -4.462 1.00 55.32 C ATOM 225 CG ASP A 16 -20.705 16.249 -4.538 1.00 34.03 C ATOM 226 OD1 ASP A 16 -19.900 16.953 -3.893 1.00 42.02 O ATOM 227 OD2 ASP A 16 -21.620 16.725 -5.242 1.00 61.11 O ATOM 0 H ASP A 16 -18.440 12.524 -4.039 1.00 10.23 H new ATOM 0 HA ASP A 16 -18.494 14.747 -3.894 1.00 21.14 H new ATOM 0 HB2 ASP A 16 -20.390 14.344 -5.462 1.00 55.32 H new ATOM 0 HB3 ASP A 16 -21.501 14.310 -4.107 1.00 55.32 H new ATOM 232 N THR A 17 -18.768 14.488 -1.212 1.00 20.23 N ATOM 233 CA THR A 17 -18.899 14.899 0.180 1.00 22.34 C ATOM 234 C THR A 17 -18.599 16.384 0.346 1.00 44.12 C ATOM 235 O THR A 17 -17.684 16.916 -0.283 1.00 40.04 O ATOM 236 CB THR A 17 -17.958 14.092 1.095 1.00 35.42 C ATOM 237 OG1 THR A 17 -16.815 13.650 0.355 1.00 72.41 O ATOM 238 CG2 THR A 17 -18.680 12.891 1.689 1.00 61.14 C ATOM 0 H THR A 17 -17.925 13.951 -1.415 1.00 20.23 H new ATOM 0 HA THR A 17 -19.932 14.705 0.470 1.00 22.34 H new ATOM 0 HB THR A 17 -17.634 14.741 1.909 1.00 35.42 H new ATOM 0 HG1 THR A 17 -16.115 13.360 0.977 1.00 72.41 H new ATOM 0 HG21 THR A 17 -17.996 12.336 2.331 1.00 61.14 H new ATOM 0 HG22 THR A 17 -19.532 13.233 2.276 1.00 61.14 H new ATOM 0 HG23 THR A 17 -19.029 12.243 0.886 1.00 61.14 H new ATOM 246 N SER A 18 -19.374 17.049 1.197 1.00 61.35 N ATOM 247 CA SER A 18 -19.192 18.475 1.442 1.00 34.43 C ATOM 248 C SER A 18 -17.868 18.739 2.152 1.00 11.31 C ATOM 249 O SER A 18 -17.379 19.869 2.176 1.00 62.34 O ATOM 250 CB SER A 18 -20.351 19.021 2.279 1.00 22.11 C ATOM 251 OG SER A 18 -21.384 19.526 1.451 1.00 11.14 O ATOM 0 H SER A 18 -20.134 16.623 1.728 1.00 61.35 H new ATOM 0 HA SER A 18 -19.176 18.986 0.479 1.00 34.43 H new ATOM 0 HB2 SER A 18 -20.746 18.231 2.918 1.00 22.11 H new ATOM 0 HB3 SER A 18 -19.988 19.811 2.936 1.00 22.11 H new ATOM 0 HG SER A 18 -22.113 19.867 2.009 1.00 11.14 H new ATOM 257 N ARG A 19 -17.293 17.689 2.730 1.00 55.33 N ATOM 258 CA ARG A 19 -16.027 17.807 3.442 1.00 43.34 C ATOM 259 C ARG A 19 -14.849 17.695 2.478 1.00 40.31 C ATOM 260 O ARG A 19 -13.691 17.691 2.895 1.00 24.10 O ATOM 261 CB ARG A 19 -15.921 16.728 4.520 1.00 31.24 C ATOM 262 CG ARG A 19 -15.370 17.239 5.842 1.00 71.14 C ATOM 263 CD ARG A 19 -15.772 16.338 6.999 1.00 71.13 C ATOM 264 NE ARG A 19 -14.680 15.462 7.415 1.00 34.22 N ATOM 265 CZ ARG A 19 -14.636 14.853 8.595 1.00 1.00 C ATOM 266 NH1 ARG A 19 -15.617 15.024 9.470 1.00 31.13 N ATOM 267 NH2 ARG A 19 -13.609 14.071 8.901 1.00 24.11 N ATOM 0 H ARG A 19 -17.684 16.747 2.719 1.00 55.33 H new ATOM 0 HA ARG A 19 -15.996 18.788 3.916 1.00 43.34 H new ATOM 0 HB2 ARG A 19 -16.908 16.298 4.690 1.00 31.24 H new ATOM 0 HB3 ARG A 19 -15.281 15.924 4.156 1.00 31.24 H new ATOM 0 HG2 ARG A 19 -14.283 17.298 5.786 1.00 71.14 H new ATOM 0 HG3 ARG A 19 -15.735 18.250 6.023 1.00 71.14 H new ATOM 0 HD2 ARG A 19 -16.087 16.951 7.843 1.00 71.13 H new ATOM 0 HD3 ARG A 19 -16.630 15.733 6.706 1.00 71.13 H new ATOM 0 HE ARG A 19 -13.909 15.309 6.764 1.00 34.22 H new ATOM 0 HH11 ARG A 19 -16.408 15.624 9.238 1.00 31.13 H new ATOM 0 HH12 ARG A 19 -15.581 14.555 10.375 1.00 31.13 H new ATOM 0 HH21 ARG A 19 -12.852 13.937 8.230 1.00 24.11 H new ATOM 0 HH22 ARG A 19 -13.576 13.604 9.807 1.00 24.11 H new ATOM 281 N TYR A 20 -15.153 17.604 1.188 1.00 15.31 N ATOM 282 CA TYR A 20 -14.121 17.489 0.165 1.00 2.23 C ATOM 283 C TYR A 20 -13.152 18.666 0.235 1.00 62.54 C ATOM 284 O TYR A 20 -11.957 18.514 -0.018 1.00 1.54 O ATOM 285 CB TYR A 20 -14.756 17.418 -1.225 1.00 3.35 C ATOM 286 CG TYR A 20 -15.230 18.757 -1.743 1.00 10.24 C ATOM 287 CD1 TYR A 20 -16.270 19.437 -1.120 1.00 22.40 C ATOM 288 CD2 TYR A 20 -14.637 19.343 -2.854 1.00 55.44 C ATOM 289 CE1 TYR A 20 -16.707 20.660 -1.590 1.00 63.35 C ATOM 290 CE2 TYR A 20 -15.067 20.567 -3.331 1.00 21.10 C ATOM 291 CZ TYR A 20 -16.102 21.221 -2.696 1.00 31.20 C ATOM 292 OH TYR A 20 -16.534 22.440 -3.167 1.00 24.32 O ATOM 0 H TYR A 20 -16.107 17.608 0.826 1.00 15.31 H new ATOM 0 HA TYR A 20 -13.563 16.571 0.349 1.00 2.23 H new ATOM 0 HB2 TYR A 20 -14.031 17.003 -1.925 1.00 3.35 H new ATOM 0 HB3 TYR A 20 -15.601 16.730 -1.195 1.00 3.35 H new ATOM 0 HD1 TYR A 20 -16.745 19.001 -0.253 1.00 22.40 H new ATOM 0 HD2 TYR A 20 -13.826 18.834 -3.354 1.00 55.44 H new ATOM 0 HE1 TYR A 20 -17.517 21.174 -1.095 1.00 63.35 H new ATOM 0 HE2 TYR A 20 -14.595 21.009 -4.196 1.00 21.10 H new ATOM 0 HH TYR A 20 -16.003 22.695 -3.951 1.00 24.32 H new ATOM 302 N GLU A 21 -13.677 19.837 0.579 1.00 11.12 N ATOM 303 CA GLU A 21 -12.859 21.040 0.682 1.00 71.22 C ATOM 304 C GLU A 21 -11.935 20.967 1.894 1.00 44.22 C ATOM 305 O GLU A 21 -10.746 21.272 1.799 1.00 13.24 O ATOM 306 CB GLU A 21 -13.748 22.281 0.778 1.00 10.44 C ATOM 307 CG GLU A 21 -14.725 22.242 1.941 1.00 21.45 C ATOM 308 CD GLU A 21 -15.949 23.106 1.705 1.00 24.54 C ATOM 309 OE1 GLU A 21 -15.939 23.894 0.737 1.00 53.10 O ATOM 310 OE2 GLU A 21 -16.915 22.993 2.488 1.00 3.54 O ATOM 0 H GLU A 21 -14.665 19.979 0.791 1.00 11.12 H new ATOM 0 HA GLU A 21 -12.246 21.110 -0.217 1.00 71.22 H new ATOM 0 HB2 GLU A 21 -13.116 23.164 0.875 1.00 10.44 H new ATOM 0 HB3 GLU A 21 -14.307 22.390 -0.151 1.00 10.44 H new ATOM 0 HG2 GLU A 21 -15.039 21.212 2.112 1.00 21.45 H new ATOM 0 HG3 GLU A 21 -14.219 22.575 2.847 1.00 21.45 H new ATOM 317 N GLU A 22 -12.490 20.562 3.031 1.00 34.43 N ATOM 318 CA GLU A 22 -11.716 20.450 4.262 1.00 52.51 C ATOM 319 C GLU A 22 -10.668 19.347 4.148 1.00 53.13 C ATOM 320 O GLU A 22 -9.502 19.546 4.488 1.00 21.40 O ATOM 321 CB GLU A 22 -12.641 20.170 5.449 1.00 44.14 C ATOM 322 CG GLU A 22 -11.906 20.019 6.770 1.00 62.51 C ATOM 323 CD GLU A 22 -10.951 21.165 7.041 1.00 24.41 C ATOM 324 OE1 GLU A 22 -11.366 22.332 6.885 1.00 71.02 O ATOM 325 OE2 GLU A 22 -9.788 20.895 7.409 1.00 33.41 O ATOM 0 H GLU A 22 -13.473 20.306 3.126 1.00 34.43 H new ATOM 0 HA GLU A 22 -11.204 21.398 4.426 1.00 52.51 H new ATOM 0 HB2 GLU A 22 -13.363 20.982 5.535 1.00 44.14 H new ATOM 0 HB3 GLU A 22 -13.207 19.259 5.251 1.00 44.14 H new ATOM 0 HG2 GLU A 22 -12.632 19.957 7.580 1.00 62.51 H new ATOM 0 HG3 GLU A 22 -11.351 19.081 6.767 1.00 62.51 H new ATOM 332 N VAL A 23 -11.093 18.183 3.667 1.00 51.15 N ATOM 333 CA VAL A 23 -10.193 17.048 3.506 1.00 24.44 C ATOM 334 C VAL A 23 -9.013 17.404 2.609 1.00 72.14 C ATOM 335 O VAL A 23 -7.870 17.053 2.900 1.00 73.43 O ATOM 336 CB VAL A 23 -10.925 15.829 2.914 1.00 54.43 C ATOM 337 CG1 VAL A 23 -9.963 14.667 2.725 1.00 63.03 C ATOM 338 CG2 VAL A 23 -12.093 15.426 3.802 1.00 41.53 C ATOM 0 H VAL A 23 -12.055 18.002 3.382 1.00 51.15 H new ATOM 0 HA VAL A 23 -9.826 16.793 4.500 1.00 24.44 H new ATOM 0 HB VAL A 23 -11.320 16.105 1.936 1.00 54.43 H new ATOM 0 HG11 VAL A 23 -10.499 13.815 2.306 1.00 63.03 H new ATOM 0 HG12 VAL A 23 -9.164 14.963 2.045 1.00 63.03 H new ATOM 0 HG13 VAL A 23 -9.535 14.388 3.688 1.00 63.03 H new ATOM 0 HG21 VAL A 23 -12.599 14.563 3.369 1.00 41.53 H new ATOM 0 HG22 VAL A 23 -11.724 15.169 4.795 1.00 41.53 H new ATOM 0 HG23 VAL A 23 -12.795 16.257 3.880 1.00 41.53 H new ATOM 348 N MET A 24 -9.299 18.104 1.516 1.00 41.13 N ATOM 349 CA MET A 24 -8.261 18.510 0.575 1.00 23.14 C ATOM 350 C MET A 24 -7.416 19.641 1.153 1.00 0.10 C ATOM 351 O MET A 24 -6.201 19.685 0.958 1.00 31.40 O ATOM 352 CB MET A 24 -8.886 18.950 -0.749 1.00 55.24 C ATOM 353 CG MET A 24 -9.458 17.801 -1.563 1.00 62.44 C ATOM 354 SD MET A 24 -8.189 16.648 -2.123 1.00 33.10 S ATOM 355 CE MET A 24 -7.103 17.751 -3.023 1.00 41.05 C ATOM 0 H MET A 24 -10.240 18.402 1.260 1.00 41.13 H new ATOM 0 HA MET A 24 -7.614 17.652 0.394 1.00 23.14 H new ATOM 0 HB2 MET A 24 -9.679 19.670 -0.546 1.00 55.24 H new ATOM 0 HB3 MET A 24 -8.132 19.466 -1.344 1.00 55.24 H new ATOM 0 HG2 MET A 24 -10.191 17.264 -0.961 1.00 62.44 H new ATOM 0 HG3 MET A 24 -9.987 18.201 -2.428 1.00 62.44 H new ATOM 0 HE1 MET A 24 -6.997 17.399 -4.049 1.00 41.05 H new ATOM 0 HE2 MET A 24 -7.526 18.756 -3.026 1.00 41.05 H new ATOM 0 HE3 MET A 24 -6.125 17.770 -2.543 1.00 41.05 H new ATOM 365 N LYS A 25 -8.067 20.555 1.864 1.00 4.44 N ATOM 366 CA LYS A 25 -7.376 21.687 2.472 1.00 61.13 C ATOM 367 C LYS A 25 -6.214 21.213 3.340 1.00 54.34 C ATOM 368 O LYS A 25 -5.230 21.930 3.524 1.00 52.22 O ATOM 369 CB LYS A 25 -8.351 22.514 3.313 1.00 43.12 C ATOM 370 CG LYS A 25 -8.651 23.882 2.725 1.00 14.25 C ATOM 371 CD LYS A 25 -9.329 23.771 1.370 1.00 20.50 C ATOM 372 CE LYS A 25 -9.242 25.076 0.594 1.00 21.21 C ATOM 373 NZ LYS A 25 -10.337 26.015 0.963 1.00 33.44 N ATOM 0 H LYS A 25 -9.073 20.534 2.034 1.00 4.44 H new ATOM 0 HA LYS A 25 -6.978 22.310 1.671 1.00 61.13 H new ATOM 0 HB2 LYS A 25 -9.284 21.961 3.421 1.00 43.12 H new ATOM 0 HB3 LYS A 25 -7.938 22.640 4.314 1.00 43.12 H new ATOM 0 HG2 LYS A 25 -9.291 24.440 3.408 1.00 14.25 H new ATOM 0 HG3 LYS A 25 -7.724 24.447 2.624 1.00 14.25 H new ATOM 0 HD2 LYS A 25 -8.863 22.972 0.793 1.00 20.50 H new ATOM 0 HD3 LYS A 25 -10.375 23.497 1.507 1.00 20.50 H new ATOM 0 HE2 LYS A 25 -8.279 25.549 0.785 1.00 21.21 H new ATOM 0 HE3 LYS A 25 -9.288 24.867 -0.475 1.00 21.21 H new ATOM 0 HZ1 LYS A 25 -10.242 26.892 0.412 1.00 33.44 H new ATOM 0 HZ2 LYS A 25 -11.256 25.574 0.757 1.00 33.44 H new ATOM 0 HZ3 LYS A 25 -10.278 26.235 1.978 1.00 33.44 H new ATOM 387 N THR A 26 -6.334 20.000 3.870 1.00 12.23 N ATOM 388 CA THR A 26 -5.294 19.431 4.718 1.00 35.12 C ATOM 389 C THR A 26 -3.946 19.427 4.007 1.00 31.12 C ATOM 390 O THR A 26 -2.895 19.411 4.648 1.00 10.31 O ATOM 391 CB THR A 26 -5.642 17.992 5.144 1.00 60.35 C ATOM 392 OG1 THR A 26 -5.533 17.109 4.021 1.00 1.31 O ATOM 393 CG2 THR A 26 -7.050 17.921 5.715 1.00 1.53 C ATOM 0 H THR A 26 -7.141 19.393 3.727 1.00 12.23 H new ATOM 0 HA THR A 26 -5.231 20.060 5.606 1.00 35.12 H new ATOM 0 HB THR A 26 -4.938 17.686 5.917 1.00 60.35 H new ATOM 0 HG1 THR A 26 -6.289 17.256 3.415 1.00 1.31 H new ATOM 0 HG21 THR A 26 -7.272 16.895 6.008 1.00 1.53 H new ATOM 0 HG22 THR A 26 -7.122 18.572 6.587 1.00 1.53 H new ATOM 0 HG23 THR A 26 -7.766 18.245 4.960 1.00 1.53 H new ATOM 401 N PHE A 27 -3.983 19.442 2.679 1.00 62.22 N ATOM 402 CA PHE A 27 -2.763 19.440 1.880 1.00 24.33 C ATOM 403 C PHE A 27 -2.453 20.839 1.356 1.00 10.05 C ATOM 404 O PHE A 27 -3.189 21.382 0.532 1.00 62.20 O ATOM 405 CB PHE A 27 -2.895 18.463 0.710 1.00 33.32 C ATOM 406 CG PHE A 27 -2.144 17.178 0.914 1.00 51.12 C ATOM 407 CD1 PHE A 27 -2.732 16.114 1.578 1.00 12.15 C ATOM 408 CD2 PHE A 27 -0.850 17.035 0.441 1.00 24.20 C ATOM 409 CE1 PHE A 27 -2.044 14.930 1.767 1.00 1.42 C ATOM 410 CE2 PHE A 27 -0.157 15.853 0.626 1.00 4.44 C ATOM 411 CZ PHE A 27 -0.754 14.800 1.291 1.00 1.44 C ATOM 0 H PHE A 27 -4.845 19.456 2.133 1.00 62.22 H new ATOM 0 HA PHE A 27 -1.941 19.120 2.520 1.00 24.33 H new ATOM 0 HB2 PHE A 27 -3.950 18.237 0.553 1.00 33.32 H new ATOM 0 HB3 PHE A 27 -2.534 18.945 -0.198 1.00 33.32 H new ATOM 0 HD1 PHE A 27 -3.740 16.211 1.953 1.00 12.15 H new ATOM 0 HD2 PHE A 27 -0.377 17.856 -0.078 1.00 24.20 H new ATOM 0 HE1 PHE A 27 -2.514 14.108 2.286 1.00 1.42 H new ATOM 0 HE2 PHE A 27 0.851 15.753 0.251 1.00 4.44 H new ATOM 0 HZ PHE A 27 -0.213 13.877 1.439 1.00 1.44 H new ATOM 421 N ASP A 28 -1.360 21.417 1.842 1.00 41.24 N ATOM 422 CA ASP A 28 -0.951 22.753 1.423 1.00 54.11 C ATOM 423 C ASP A 28 -0.850 22.839 -0.097 1.00 13.02 C ATOM 424 O ASP A 28 -1.018 23.910 -0.682 1.00 25.30 O ATOM 425 CB ASP A 28 0.390 23.122 2.057 1.00 25.45 C ATOM 426 CG ASP A 28 0.272 23.397 3.544 1.00 60.34 C ATOM 427 OD1 ASP A 28 -0.214 24.488 3.908 1.00 71.43 O ATOM 428 OD2 ASP A 28 0.666 22.521 4.343 1.00 43.43 O ATOM 0 H ASP A 28 -0.741 20.982 2.526 1.00 41.24 H new ATOM 0 HA ASP A 28 -1.709 23.460 1.759 1.00 54.11 H new ATOM 0 HB2 ASP A 28 1.100 22.311 1.896 1.00 25.45 H new ATOM 0 HB3 ASP A 28 0.794 24.003 1.559 1.00 25.45 H new ATOM 433 N THR A 29 -0.574 21.704 -0.732 1.00 11.03 N ATOM 434 CA THR A 29 -0.448 21.651 -2.183 1.00 11.13 C ATOM 435 C THR A 29 -1.729 22.120 -2.863 1.00 40.13 C ATOM 436 O THR A 29 -1.695 22.653 -3.973 1.00 34.43 O ATOM 437 CB THR A 29 -0.115 20.227 -2.666 1.00 73.11 C ATOM 438 OG1 THR A 29 -1.081 19.299 -2.159 1.00 51.21 O ATOM 439 CG2 THR A 29 1.278 19.814 -2.215 1.00 14.01 C ATOM 0 H THR A 29 -0.433 20.809 -0.264 1.00 11.03 H new ATOM 0 HA THR A 29 0.370 22.319 -2.454 1.00 11.13 H new ATOM 0 HB THR A 29 -0.143 20.221 -3.756 1.00 73.11 H new ATOM 0 HG1 THR A 29 -1.199 18.567 -2.800 1.00 51.21 H new ATOM 0 HG21 THR A 29 1.490 18.805 -2.568 1.00 14.01 H new ATOM 0 HG22 THR A 29 2.014 20.505 -2.627 1.00 14.01 H new ATOM 0 HG23 THR A 29 1.329 19.836 -1.126 1.00 14.01 H new ATOM 447 N VAL A 30 -2.858 21.920 -2.191 1.00 73.43 N ATOM 448 CA VAL A 30 -4.151 22.324 -2.731 1.00 10.01 C ATOM 449 C VAL A 30 -4.289 23.842 -2.749 1.00 4.24 C ATOM 450 O VAL A 30 -4.421 24.475 -1.702 1.00 32.03 O ATOM 451 CB VAL A 30 -5.312 21.724 -1.916 1.00 20.21 C ATOM 452 CG1 VAL A 30 -6.650 22.192 -2.468 1.00 20.04 C ATOM 453 CG2 VAL A 30 -5.230 20.205 -1.911 1.00 61.25 C ATOM 0 H VAL A 30 -2.904 21.481 -1.272 1.00 73.43 H new ATOM 0 HA VAL A 30 -4.200 21.945 -3.752 1.00 10.01 H new ATOM 0 HB VAL A 30 -5.229 22.073 -0.887 1.00 20.21 H new ATOM 0 HG11 VAL A 30 -7.458 21.758 -1.880 1.00 20.04 H new ATOM 0 HG12 VAL A 30 -6.706 23.279 -2.414 1.00 20.04 H new ATOM 0 HG13 VAL A 30 -6.746 21.875 -3.506 1.00 20.04 H new ATOM 0 HG21 VAL A 30 -6.058 19.798 -1.331 1.00 61.25 H new ATOM 0 HG22 VAL A 30 -5.287 19.834 -2.934 1.00 61.25 H new ATOM 0 HG23 VAL A 30 -4.286 19.893 -1.464 1.00 61.25 H new ATOM 463 N GLU A 31 -4.256 24.420 -3.945 1.00 54.04 N ATOM 464 CA GLU A 31 -4.377 25.865 -4.099 1.00 13.13 C ATOM 465 C GLU A 31 -5.842 26.280 -4.208 1.00 63.01 C ATOM 466 O GLU A 31 -6.249 27.308 -3.667 1.00 64.24 O ATOM 467 CB GLU A 31 -3.609 26.335 -5.336 1.00 0.13 C ATOM 468 CG GLU A 31 -3.588 27.845 -5.502 1.00 13.31 C ATOM 469 CD GLU A 31 -3.203 28.567 -4.225 1.00 53.54 C ATOM 470 OE1 GLU A 31 -4.043 28.633 -3.304 1.00 12.22 O ATOM 471 OE2 GLU A 31 -2.061 29.067 -4.148 1.00 71.15 O ATOM 0 H GLU A 31 -4.147 23.910 -4.822 1.00 54.04 H new ATOM 0 HA GLU A 31 -3.949 26.336 -3.214 1.00 13.13 H new ATOM 0 HB2 GLU A 31 -2.584 25.970 -5.277 1.00 0.13 H new ATOM 0 HB3 GLU A 31 -4.056 25.887 -6.223 1.00 0.13 H new ATOM 0 HG2 GLU A 31 -2.884 28.110 -6.291 1.00 13.31 H new ATOM 0 HG3 GLU A 31 -4.572 28.185 -5.825 1.00 13.31 H new ATOM 478 N ALA A 32 -6.628 25.473 -4.912 1.00 73.32 N ATOM 479 CA ALA A 32 -8.047 25.754 -5.092 1.00 11.32 C ATOM 480 C ALA A 32 -8.797 24.514 -5.566 1.00 13.04 C ATOM 481 O ALA A 32 -8.189 23.538 -6.006 1.00 2.43 O ATOM 482 CB ALA A 32 -8.238 26.897 -6.078 1.00 3.43 C ATOM 0 H ALA A 32 -6.306 24.619 -5.367 1.00 73.32 H new ATOM 0 HA ALA A 32 -8.458 26.048 -4.127 1.00 11.32 H new ATOM 0 HB1 ALA A 32 -9.302 27.096 -6.203 1.00 3.43 H new ATOM 0 HB2 ALA A 32 -7.744 27.791 -5.698 1.00 3.43 H new ATOM 0 HB3 ALA A 32 -7.805 26.624 -7.040 1.00 3.43 H new ATOM 488 N VAL A 33 -10.123 24.558 -5.472 1.00 65.21 N ATOM 489 CA VAL A 33 -10.956 23.437 -5.892 1.00 0.54 C ATOM 490 C VAL A 33 -12.107 23.909 -6.773 1.00 70.32 C ATOM 491 O VAL A 33 -12.577 25.039 -6.646 1.00 51.41 O ATOM 492 CB VAL A 33 -11.529 22.680 -4.679 1.00 72.44 C ATOM 493 CG1 VAL A 33 -12.204 21.391 -5.125 1.00 44.12 C ATOM 494 CG2 VAL A 33 -10.434 22.394 -3.664 1.00 24.25 C ATOM 0 H VAL A 33 -10.643 25.357 -5.109 1.00 65.21 H new ATOM 0 HA VAL A 33 -10.318 22.763 -6.463 1.00 0.54 H new ATOM 0 HB VAL A 33 -12.280 23.309 -4.201 1.00 72.44 H new ATOM 0 HG11 VAL A 33 -12.603 20.869 -4.255 1.00 44.12 H new ATOM 0 HG12 VAL A 33 -13.017 21.625 -5.812 1.00 44.12 H new ATOM 0 HG13 VAL A 33 -11.476 20.754 -5.628 1.00 44.12 H new ATOM 0 HG21 VAL A 33 -10.857 21.859 -2.814 1.00 24.25 H new ATOM 0 HG22 VAL A 33 -9.659 21.784 -4.128 1.00 24.25 H new ATOM 0 HG23 VAL A 33 -10.000 23.334 -3.322 1.00 24.25 H new ATOM 504 N ARG A 34 -12.557 23.034 -7.667 1.00 0.10 N ATOM 505 CA ARG A 34 -13.653 23.361 -8.571 1.00 32.21 C ATOM 506 C ARG A 34 -14.517 22.133 -8.845 1.00 24.24 C ATOM 507 O ARG A 34 -14.003 21.041 -9.091 1.00 41.43 O ATOM 508 CB ARG A 34 -13.108 23.918 -9.887 1.00 71.13 C ATOM 509 CG ARG A 34 -12.685 25.375 -9.803 1.00 3.31 C ATOM 510 CD ARG A 34 -13.868 26.283 -9.506 1.00 20.14 C ATOM 511 NE ARG A 34 -13.733 27.587 -10.150 1.00 31.25 N ATOM 512 CZ ARG A 34 -14.540 28.613 -9.907 1.00 13.43 C ATOM 513 NH1 ARG A 34 -15.535 28.488 -9.039 1.00 3.22 N ATOM 514 NH2 ARG A 34 -14.353 29.768 -10.532 1.00 53.44 N ATOM 0 H ARG A 34 -12.179 22.094 -7.784 1.00 0.10 H new ATOM 0 HA ARG A 34 -14.272 24.120 -8.092 1.00 32.21 H new ATOM 0 HB2 ARG A 34 -12.253 23.318 -10.199 1.00 71.13 H new ATOM 0 HB3 ARG A 34 -13.870 23.814 -10.659 1.00 71.13 H new ATOM 0 HG2 ARG A 34 -11.931 25.492 -9.024 1.00 3.31 H new ATOM 0 HG3 ARG A 34 -12.222 25.675 -10.743 1.00 3.31 H new ATOM 0 HD2 ARG A 34 -14.786 25.804 -9.846 1.00 20.14 H new ATOM 0 HD3 ARG A 34 -13.959 26.419 -8.428 1.00 20.14 H new ATOM 0 HE ARG A 34 -12.978 27.717 -10.823 1.00 31.25 H new ATOM 0 HH11 ARG A 34 -15.682 27.602 -8.556 1.00 3.22 H new ATOM 0 HH12 ARG A 34 -16.153 29.278 -8.855 1.00 3.22 H new ATOM 0 HH21 ARG A 34 -13.589 29.869 -11.200 1.00 53.44 H new ATOM 0 HH22 ARG A 34 -14.974 30.556 -10.345 1.00 53.44 H new ATOM 528 N LYS A 35 -15.831 22.318 -8.799 1.00 15.42 N ATOM 529 CA LYS A 35 -16.768 21.227 -9.042 1.00 44.33 C ATOM 530 C LYS A 35 -17.016 21.046 -10.536 1.00 45.44 C ATOM 531 O LYS A 35 -16.634 21.892 -11.345 1.00 65.25 O ATOM 532 CB LYS A 35 -18.092 21.494 -8.323 1.00 41.24 C ATOM 533 CG LYS A 35 -18.952 22.545 -9.004 1.00 34.23 C ATOM 534 CD LYS A 35 -20.140 21.918 -9.715 1.00 21.13 C ATOM 535 CE LYS A 35 -21.131 21.323 -8.726 1.00 50.11 C ATOM 536 NZ LYS A 35 -21.702 20.039 -9.218 1.00 74.11 N ATOM 0 H LYS A 35 -16.273 23.215 -8.595 1.00 15.42 H new ATOM 0 HA LYS A 35 -16.328 20.310 -8.651 1.00 44.33 H new ATOM 0 HB2 LYS A 35 -18.655 20.563 -8.258 1.00 41.24 H new ATOM 0 HB3 LYS A 35 -17.884 21.813 -7.302 1.00 41.24 H new ATOM 0 HG2 LYS A 35 -19.307 23.262 -8.263 1.00 34.23 H new ATOM 0 HG3 LYS A 35 -18.349 23.101 -9.722 1.00 34.23 H new ATOM 0 HD2 LYS A 35 -20.640 22.671 -10.324 1.00 21.13 H new ATOM 0 HD3 LYS A 35 -19.790 21.140 -10.394 1.00 21.13 H new ATOM 0 HE2 LYS A 35 -20.635 21.157 -7.770 1.00 50.11 H new ATOM 0 HE3 LYS A 35 -21.937 22.034 -8.547 1.00 50.11 H new ATOM 0 HZ1 LYS A 35 -21.889 19.410 -8.411 1.00 74.11 H new ATOM 0 HZ2 LYS A 35 -22.591 20.226 -9.724 1.00 74.11 H new ATOM 0 HZ3 LYS A 35 -21.026 19.583 -9.863 1.00 74.11 H new ATOM 550 N SER A 36 -17.659 19.940 -10.895 1.00 64.23 N ATOM 551 CA SER A 36 -17.955 19.647 -12.293 1.00 15.34 C ATOM 552 C SER A 36 -19.447 19.801 -12.575 1.00 1.41 C ATOM 553 O SER A 36 -20.265 19.017 -12.094 1.00 12.20 O ATOM 554 CB SER A 36 -17.502 18.230 -12.647 1.00 23.35 C ATOM 555 OG SER A 36 -18.220 17.727 -13.760 1.00 41.40 O ATOM 0 H SER A 36 -17.985 19.232 -10.237 1.00 64.23 H new ATOM 0 HA SER A 36 -17.409 20.360 -12.911 1.00 15.34 H new ATOM 0 HB2 SER A 36 -16.435 18.231 -12.869 1.00 23.35 H new ATOM 0 HB3 SER A 36 -17.648 17.573 -11.789 1.00 23.35 H new ATOM 0 HG SER A 36 -17.807 16.893 -14.066 1.00 41.40 H new ATOM 561 N ASP A 37 -19.792 20.817 -13.358 1.00 13.53 N ATOM 562 CA ASP A 37 -21.185 21.075 -13.706 1.00 3.40 C ATOM 563 C ASP A 37 -21.794 19.879 -14.430 1.00 34.01 C ATOM 564 O ASP A 37 -22.989 19.606 -14.304 1.00 50.41 O ATOM 565 CB ASP A 37 -21.291 22.325 -14.581 1.00 43.14 C ATOM 566 CG ASP A 37 -22.661 22.969 -14.508 1.00 75.44 C ATOM 567 OD1 ASP A 37 -23.018 23.485 -13.429 1.00 0.44 O ATOM 568 OD2 ASP A 37 -23.377 22.956 -15.531 1.00 54.12 O ATOM 0 H ASP A 37 -19.127 21.475 -13.764 1.00 13.53 H new ATOM 0 HA ASP A 37 -21.740 21.239 -12.783 1.00 3.40 H new ATOM 0 HB2 ASP A 37 -20.536 23.047 -14.270 1.00 43.14 H new ATOM 0 HB3 ASP A 37 -21.072 22.060 -15.615 1.00 43.14 H new ATOM 573 N LEU A 38 -20.967 19.169 -15.189 1.00 20.34 N ATOM 574 CA LEU A 38 -21.424 18.001 -15.934 1.00 54.33 C ATOM 575 C LEU A 38 -21.648 16.814 -15.003 1.00 60.14 C ATOM 576 O LEU A 38 -22.599 16.050 -15.172 1.00 43.14 O ATOM 577 CB LEU A 38 -20.408 17.632 -17.016 1.00 23.23 C ATOM 578 CG LEU A 38 -20.152 18.692 -18.087 1.00 51.32 C ATOM 579 CD1 LEU A 38 -18.881 18.375 -18.860 1.00 11.33 C ATOM 580 CD2 LEU A 38 -21.341 18.794 -19.032 1.00 31.35 C ATOM 0 H LEU A 38 -19.976 19.382 -15.305 1.00 20.34 H new ATOM 0 HA LEU A 38 -22.374 18.251 -16.407 1.00 54.33 H new ATOM 0 HB2 LEU A 38 -19.460 17.398 -16.531 1.00 23.23 H new ATOM 0 HB3 LEU A 38 -20.747 16.721 -17.509 1.00 23.23 H new ATOM 0 HG LEU A 38 -20.022 19.655 -17.593 1.00 51.32 H new ATOM 0 HD11 LEU A 38 -18.716 19.141 -19.618 1.00 11.33 H new ATOM 0 HD12 LEU A 38 -18.034 18.354 -18.174 1.00 11.33 H new ATOM 0 HD13 LEU A 38 -18.981 17.403 -19.342 1.00 11.33 H new ATOM 0 HD21 LEU A 38 -21.141 19.553 -19.788 1.00 31.35 H new ATOM 0 HD22 LEU A 38 -21.503 17.832 -19.518 1.00 31.35 H new ATOM 0 HD23 LEU A 38 -22.232 19.070 -18.468 1.00 31.35 H new ATOM 592 N ASP A 39 -20.767 16.666 -14.020 1.00 15.13 N ATOM 593 CA ASP A 39 -20.870 15.574 -13.059 1.00 73.53 C ATOM 594 C ASP A 39 -20.728 16.090 -11.631 1.00 41.41 C ATOM 595 O ASP A 39 -19.674 16.597 -11.246 1.00 21.32 O ATOM 596 CB ASP A 39 -19.802 14.516 -13.341 1.00 42.11 C ATOM 597 CG ASP A 39 -20.044 13.782 -14.645 1.00 62.31 C ATOM 598 OD1 ASP A 39 -21.114 13.154 -14.782 1.00 33.31 O ATOM 599 OD2 ASP A 39 -19.162 13.834 -15.528 1.00 54.05 O ATOM 0 H ASP A 39 -19.973 17.288 -13.868 1.00 15.13 H new ATOM 0 HA ASP A 39 -21.856 15.122 -13.165 1.00 73.53 H new ATOM 0 HB2 ASP A 39 -18.822 14.992 -13.372 1.00 42.11 H new ATOM 0 HB3 ASP A 39 -19.781 13.798 -12.522 1.00 42.11 H new ATOM 604 N ASP A 40 -21.795 15.960 -10.851 1.00 53.11 N ATOM 605 CA ASP A 40 -21.790 16.414 -9.465 1.00 64.13 C ATOM 606 C ASP A 40 -20.861 15.552 -8.615 1.00 52.21 C ATOM 607 O ASP A 40 -20.413 15.972 -7.548 1.00 35.53 O ATOM 608 CB ASP A 40 -23.206 16.380 -8.890 1.00 12.55 C ATOM 609 CG ASP A 40 -23.358 17.272 -7.673 1.00 1.31 C ATOM 610 OD1 ASP A 40 -22.410 18.027 -7.368 1.00 73.21 O ATOM 611 OD2 ASP A 40 -24.424 17.216 -7.026 1.00 54.41 O ATOM 0 H ASP A 40 -22.675 15.544 -11.155 1.00 53.11 H new ATOM 0 HA ASP A 40 -21.423 17.440 -9.445 1.00 64.13 H new ATOM 0 HB2 ASP A 40 -23.914 16.693 -9.657 1.00 12.55 H new ATOM 0 HB3 ASP A 40 -23.461 15.355 -8.620 1.00 12.55 H new ATOM 616 N ARG A 41 -20.577 14.346 -9.095 1.00 73.11 N ATOM 617 CA ARG A 41 -19.704 13.424 -8.378 1.00 53.31 C ATOM 618 C ARG A 41 -18.271 13.524 -8.891 1.00 25.51 C ATOM 619 O ARG A 41 -17.497 12.571 -8.791 1.00 0.00 O ATOM 620 CB ARG A 41 -20.212 11.989 -8.525 1.00 63.33 C ATOM 621 CG ARG A 41 -21.704 11.842 -8.277 1.00 71.23 C ATOM 622 CD ARG A 41 -22.106 10.381 -8.144 1.00 45.13 C ATOM 623 NE ARG A 41 -21.967 9.658 -9.406 1.00 12.32 N ATOM 624 CZ ARG A 41 -22.095 8.341 -9.516 1.00 31.33 C ATOM 625 NH1 ARG A 41 -22.363 7.606 -8.445 1.00 73.23 N ATOM 626 NH2 ARG A 41 -21.955 7.756 -10.698 1.00 71.35 N ATOM 0 H ARG A 41 -20.939 13.984 -9.977 1.00 73.11 H new ATOM 0 HA ARG A 41 -19.714 13.698 -7.323 1.00 53.31 H new ATOM 0 HB2 ARG A 41 -19.983 11.633 -9.529 1.00 63.33 H new ATOM 0 HB3 ARG A 41 -19.672 11.348 -7.828 1.00 63.33 H new ATOM 0 HG2 ARG A 41 -21.978 12.380 -7.369 1.00 71.23 H new ATOM 0 HG3 ARG A 41 -22.257 12.299 -9.097 1.00 71.23 H new ATOM 0 HD2 ARG A 41 -21.489 9.903 -7.383 1.00 45.13 H new ATOM 0 HD3 ARG A 41 -23.139 10.319 -7.803 1.00 45.13 H new ATOM 0 HE ARG A 41 -21.760 10.194 -10.249 1.00 12.32 H new ATOM 0 HH11 ARG A 41 -22.471 8.052 -7.534 1.00 73.23 H new ATOM 0 HH12 ARG A 41 -22.461 6.594 -8.532 1.00 73.23 H new ATOM 0 HH21 ARG A 41 -21.749 8.318 -11.524 1.00 71.35 H new ATOM 0 HH22 ARG A 41 -22.054 6.744 -10.781 1.00 71.35 H new ATOM 640 N VAL A 42 -17.923 14.683 -9.441 1.00 20.23 N ATOM 641 CA VAL A 42 -16.583 14.907 -9.969 1.00 4.12 C ATOM 642 C VAL A 42 -16.056 16.280 -9.567 1.00 13.30 C ATOM 643 O VAL A 42 -16.750 17.288 -9.706 1.00 73.21 O ATOM 644 CB VAL A 42 -16.557 14.789 -11.504 1.00 72.22 C ATOM 645 CG1 VAL A 42 -15.143 14.977 -12.031 1.00 63.41 C ATOM 646 CG2 VAL A 42 -17.125 13.448 -11.944 1.00 53.14 C ATOM 0 H VAL A 42 -18.551 15.482 -9.532 1.00 20.23 H new ATOM 0 HA VAL A 42 -15.942 14.136 -9.542 1.00 4.12 H new ATOM 0 HB VAL A 42 -17.182 15.578 -11.922 1.00 72.22 H new ATOM 0 HG11 VAL A 42 -15.145 14.890 -13.118 1.00 63.41 H new ATOM 0 HG12 VAL A 42 -14.777 15.963 -11.747 1.00 63.41 H new ATOM 0 HG13 VAL A 42 -14.492 14.212 -11.607 1.00 63.41 H new ATOM 0 HG21 VAL A 42 -17.099 13.381 -13.032 1.00 53.14 H new ATOM 0 HG22 VAL A 42 -16.528 12.642 -11.517 1.00 53.14 H new ATOM 0 HG23 VAL A 42 -18.155 13.358 -11.599 1.00 53.14 H new ATOM 656 N TYR A 43 -14.826 16.313 -9.068 1.00 45.24 N ATOM 657 CA TYR A 43 -14.206 17.563 -8.644 1.00 40.12 C ATOM 658 C TYR A 43 -12.762 17.647 -9.128 1.00 44.04 C ATOM 659 O TYR A 43 -12.060 16.639 -9.201 1.00 30.45 O ATOM 660 CB TYR A 43 -14.253 17.688 -7.120 1.00 42.54 C ATOM 661 CG TYR A 43 -15.593 18.146 -6.591 1.00 52.35 C ATOM 662 CD1 TYR A 43 -16.643 17.250 -6.434 1.00 11.13 C ATOM 663 CD2 TYR A 43 -15.809 19.475 -6.248 1.00 53.44 C ATOM 664 CE1 TYR A 43 -17.869 17.664 -5.952 1.00 15.44 C ATOM 665 CE2 TYR A 43 -17.032 19.898 -5.764 1.00 51.31 C ATOM 666 CZ TYR A 43 -18.059 18.989 -5.618 1.00 11.31 C ATOM 667 OH TYR A 43 -19.279 19.406 -5.136 1.00 21.41 O ATOM 0 H TYR A 43 -14.238 15.488 -8.947 1.00 45.24 H new ATOM 0 HA TYR A 43 -14.767 18.386 -9.087 1.00 40.12 H new ATOM 0 HB2 TYR A 43 -14.008 16.723 -6.677 1.00 42.54 H new ATOM 0 HB3 TYR A 43 -13.485 18.391 -6.798 1.00 42.54 H new ATOM 0 HD1 TYR A 43 -16.498 16.212 -6.693 1.00 11.13 H new ATOM 0 HD2 TYR A 43 -15.007 20.190 -6.362 1.00 53.44 H new ATOM 0 HE1 TYR A 43 -18.675 16.954 -5.837 1.00 15.44 H new ATOM 0 HE2 TYR A 43 -17.183 20.935 -5.501 1.00 51.31 H new ATOM 0 HH TYR A 43 -19.696 18.679 -4.628 1.00 21.41 H new ATOM 677 N MET A 44 -12.325 18.858 -9.459 1.00 24.14 N ATOM 678 CA MET A 44 -10.963 19.075 -9.934 1.00 53.23 C ATOM 679 C MET A 44 -10.180 19.951 -8.961 1.00 35.41 C ATOM 680 O MET A 44 -10.546 21.099 -8.711 1.00 53.35 O ATOM 681 CB MET A 44 -10.982 19.724 -11.320 1.00 21.51 C ATOM 682 CG MET A 44 -11.762 21.027 -11.370 1.00 40.24 C ATOM 683 SD MET A 44 -13.179 20.946 -12.482 1.00 40.15 S ATOM 684 CE MET A 44 -12.847 22.341 -13.556 1.00 71.11 C ATOM 0 H MET A 44 -12.894 19.703 -9.407 1.00 24.14 H new ATOM 0 HA MET A 44 -10.469 18.106 -10.000 1.00 53.23 H new ATOM 0 HB2 MET A 44 -9.957 19.911 -11.638 1.00 21.51 H new ATOM 0 HB3 MET A 44 -11.415 19.023 -12.034 1.00 21.51 H new ATOM 0 HG2 MET A 44 -12.106 21.279 -10.367 1.00 40.24 H new ATOM 0 HG3 MET A 44 -11.099 21.831 -11.690 1.00 40.24 H new ATOM 0 HE1 MET A 44 -13.639 22.423 -14.301 1.00 71.11 H new ATOM 0 HE2 MET A 44 -12.810 23.255 -12.964 1.00 71.11 H new ATOM 0 HE3 MET A 44 -11.891 22.194 -14.058 1.00 71.11 H new ATOM 694 N VAL A 45 -9.101 19.400 -8.413 1.00 55.42 N ATOM 695 CA VAL A 45 -8.267 20.132 -7.468 1.00 24.43 C ATOM 696 C VAL A 45 -7.081 20.783 -8.171 1.00 30.12 C ATOM 697 O VAL A 45 -6.340 20.123 -8.900 1.00 42.02 O ATOM 698 CB VAL A 45 -7.744 19.209 -6.351 1.00 5.23 C ATOM 699 CG1 VAL A 45 -7.001 20.015 -5.296 1.00 45.43 C ATOM 700 CG2 VAL A 45 -8.889 18.427 -5.726 1.00 70.23 C ATOM 0 H VAL A 45 -8.785 18.450 -8.607 1.00 55.42 H new ATOM 0 HA VAL A 45 -8.893 20.907 -7.026 1.00 24.43 H new ATOM 0 HB VAL A 45 -7.045 18.497 -6.790 1.00 5.23 H new ATOM 0 HG11 VAL A 45 -6.639 19.346 -4.515 1.00 45.43 H new ATOM 0 HG12 VAL A 45 -6.156 20.526 -5.757 1.00 45.43 H new ATOM 0 HG13 VAL A 45 -7.675 20.751 -4.859 1.00 45.43 H new ATOM 0 HG21 VAL A 45 -8.501 17.780 -4.939 1.00 70.23 H new ATOM 0 HG22 VAL A 45 -9.614 19.121 -5.301 1.00 70.23 H new ATOM 0 HG23 VAL A 45 -9.374 17.819 -6.490 1.00 70.23 H new ATOM 710 N CYS A 46 -6.907 22.081 -7.946 1.00 75.45 N ATOM 711 CA CYS A 46 -5.811 22.822 -8.559 1.00 51.50 C ATOM 712 C CYS A 46 -4.640 22.960 -7.591 1.00 71.35 C ATOM 713 O CYS A 46 -4.716 23.699 -6.609 1.00 45.33 O ATOM 714 CB CYS A 46 -6.288 24.207 -9.001 1.00 34.34 C ATOM 715 SG CYS A 46 -7.520 24.175 -10.324 1.00 15.34 S ATOM 0 H CYS A 46 -7.511 22.641 -7.344 1.00 75.45 H new ATOM 0 HA CYS A 46 -5.473 22.266 -9.433 1.00 51.50 H new ATOM 0 HB2 CYS A 46 -6.708 24.727 -8.140 1.00 34.34 H new ATOM 0 HB3 CYS A 46 -5.427 24.787 -9.334 1.00 34.34 H new ATOM 0 HG CYS A 46 -7.863 25.392 -10.627 1.00 15.34 H new ATOM 721 N LEU A 47 -3.559 22.242 -7.874 1.00 61.40 N ATOM 722 CA LEU A 47 -2.371 22.282 -7.028 1.00 32.51 C ATOM 723 C LEU A 47 -1.558 23.545 -7.290 1.00 61.02 C ATOM 724 O LEU A 47 -1.452 24.004 -8.428 1.00 34.31 O ATOM 725 CB LEU A 47 -1.505 21.044 -7.272 1.00 14.24 C ATOM 726 CG LEU A 47 -2.131 19.702 -6.892 1.00 73.30 C ATOM 727 CD1 LEU A 47 -1.126 18.575 -7.069 1.00 64.33 C ATOM 728 CD2 LEU A 47 -2.646 19.739 -5.461 1.00 13.14 C ATOM 0 H LEU A 47 -3.480 21.625 -8.683 1.00 61.40 H new ATOM 0 HA LEU A 47 -2.696 22.291 -5.988 1.00 32.51 H new ATOM 0 HB2 LEU A 47 -1.241 21.013 -8.329 1.00 14.24 H new ATOM 0 HB3 LEU A 47 -0.576 21.160 -6.714 1.00 14.24 H new ATOM 0 HG LEU A 47 -2.975 19.516 -7.556 1.00 73.30 H new ATOM 0 HD11 LEU A 47 -1.589 17.628 -6.794 1.00 64.33 H new ATOM 0 HD12 LEU A 47 -0.806 18.533 -8.110 1.00 64.33 H new ATOM 0 HD13 LEU A 47 -0.261 18.755 -6.430 1.00 64.33 H new ATOM 0 HD21 LEU A 47 -3.088 18.775 -5.208 1.00 13.14 H new ATOM 0 HD22 LEU A 47 -1.819 19.948 -4.782 1.00 13.14 H new ATOM 0 HD23 LEU A 47 -3.400 20.520 -5.366 1.00 13.14 H new ATOM 740 N LYS A 48 -0.982 24.103 -6.230 1.00 74.44 N ATOM 741 CA LYS A 48 -0.175 25.311 -6.345 1.00 1.21 C ATOM 742 C LYS A 48 0.918 25.138 -7.395 1.00 54.13 C ATOM 743 O LYS A 48 1.289 24.016 -7.737 1.00 24.10 O ATOM 744 CB LYS A 48 0.453 25.660 -4.993 1.00 72.15 C ATOM 745 CG LYS A 48 -0.170 26.876 -4.329 1.00 62.33 C ATOM 746 CD LYS A 48 0.637 27.327 -3.123 1.00 62.15 C ATOM 747 CE LYS A 48 -0.202 27.314 -1.855 1.00 2.31 C ATOM 748 NZ LYS A 48 0.236 28.361 -0.890 1.00 32.30 N ATOM 0 H LYS A 48 -1.060 23.737 -5.281 1.00 74.44 H new ATOM 0 HA LYS A 48 -0.828 26.126 -6.657 1.00 1.21 H new ATOM 0 HB2 LYS A 48 0.358 24.803 -4.326 1.00 72.15 H new ATOM 0 HB3 LYS A 48 1.519 25.839 -5.132 1.00 72.15 H new ATOM 0 HG2 LYS A 48 -0.236 27.691 -5.049 1.00 62.33 H new ATOM 0 HG3 LYS A 48 -1.188 26.641 -4.019 1.00 62.33 H new ATOM 0 HD2 LYS A 48 1.500 26.673 -2.996 1.00 62.15 H new ATOM 0 HD3 LYS A 48 1.021 28.332 -3.296 1.00 62.15 H new ATOM 0 HE2 LYS A 48 -1.250 27.471 -2.111 1.00 2.31 H new ATOM 0 HE3 LYS A 48 -0.133 26.334 -1.384 1.00 2.31 H new ATOM 0 HZ1 LYS A 48 -0.360 28.320 -0.039 1.00 32.30 H new ATOM 0 HZ2 LYS A 48 1.228 28.196 -0.626 1.00 32.30 H new ATOM 0 HZ3 LYS A 48 0.146 29.299 -1.331 1.00 32.30 H new ATOM 762 N GLN A 49 1.428 26.256 -7.902 1.00 11.04 N ATOM 763 CA GLN A 49 2.479 26.226 -8.912 1.00 55.42 C ATOM 764 C GLN A 49 3.815 25.824 -8.297 1.00 34.41 C ATOM 765 O GLN A 49 4.469 26.624 -7.631 1.00 44.40 O ATOM 766 CB GLN A 49 2.606 27.594 -9.586 1.00 74.55 C ATOM 767 CG GLN A 49 1.292 28.124 -10.138 1.00 43.05 C ATOM 768 CD GLN A 49 1.492 29.116 -11.267 1.00 51.03 C ATOM 769 OE1 GLN A 49 2.435 29.001 -12.051 1.00 10.13 O ATOM 770 NE2 GLN A 49 0.603 30.098 -11.357 1.00 12.21 N ATOM 0 H GLN A 49 1.131 27.193 -7.630 1.00 11.04 H new ATOM 0 HA GLN A 49 2.207 25.482 -9.661 1.00 55.42 H new ATOM 0 HB2 GLN A 49 3.003 28.309 -8.866 1.00 74.55 H new ATOM 0 HB3 GLN A 49 3.330 27.524 -10.398 1.00 74.55 H new ATOM 0 HG2 GLN A 49 0.689 27.289 -10.495 1.00 43.05 H new ATOM 0 HG3 GLN A 49 0.731 28.602 -9.335 1.00 43.05 H new ATOM 0 HE21 GLN A 49 -0.163 30.155 -10.686 1.00 12.21 H new ATOM 0 HE22 GLN A 49 0.686 30.795 -12.097 1.00 12.21 H new ATOM 779 N GLY A 50 4.213 24.576 -8.524 1.00 63.44 N ATOM 780 CA GLY A 50 5.469 24.088 -7.985 1.00 2.10 C ATOM 781 C GLY A 50 5.271 23.005 -6.943 1.00 43.01 C ATOM 782 O GLY A 50 6.078 22.081 -6.837 1.00 51.33 O ATOM 0 H GLY A 50 3.688 23.894 -9.072 1.00 63.44 H new ATOM 0 HA2 GLY A 50 6.083 23.698 -8.797 1.00 2.10 H new ATOM 0 HA3 GLY A 50 6.018 24.919 -7.541 1.00 2.10 H new ATOM 786 N SER A 51 4.196 23.119 -6.170 1.00 72.23 N ATOM 787 CA SER A 51 3.897 22.144 -5.127 1.00 43.35 C ATOM 788 C SER A 51 3.613 20.772 -5.731 1.00 41.33 C ATOM 789 O SER A 51 3.374 20.646 -6.933 1.00 12.52 O ATOM 790 CB SER A 51 2.699 22.606 -4.296 1.00 40.41 C ATOM 791 OG SER A 51 2.931 23.887 -3.735 1.00 53.05 O ATOM 0 H SER A 51 3.517 23.877 -6.246 1.00 72.23 H new ATOM 0 HA SER A 51 4.770 22.063 -4.479 1.00 43.35 H new ATOM 0 HB2 SER A 51 1.808 22.636 -4.923 1.00 40.41 H new ATOM 0 HB3 SER A 51 2.505 21.887 -3.500 1.00 40.41 H new ATOM 0 HG SER A 51 2.150 24.161 -3.210 1.00 53.05 H new ATOM 797 N THR A 52 3.641 19.744 -4.889 1.00 2.44 N ATOM 798 CA THR A 52 3.388 18.381 -5.337 1.00 42.13 C ATOM 799 C THR A 52 2.552 17.614 -4.320 1.00 22.53 C ATOM 800 O THR A 52 2.971 17.417 -3.179 1.00 2.03 O ATOM 801 CB THR A 52 4.703 17.618 -5.585 1.00 22.03 C ATOM 802 OG1 THR A 52 5.483 18.294 -6.578 1.00 15.03 O ATOM 803 CG2 THR A 52 4.425 16.192 -6.036 1.00 13.04 C ATOM 0 H THR A 52 3.837 19.830 -3.892 1.00 2.44 H new ATOM 0 HA THR A 52 2.837 18.454 -6.275 1.00 42.13 H new ATOM 0 HB THR A 52 5.259 17.584 -4.648 1.00 22.03 H new ATOM 0 HG1 THR A 52 6.318 17.803 -6.728 1.00 15.03 H new ATOM 0 HG21 THR A 52 5.369 15.673 -6.205 1.00 13.04 H new ATOM 0 HG22 THR A 52 3.857 15.671 -5.265 1.00 13.04 H new ATOM 0 HG23 THR A 52 3.850 16.209 -6.962 1.00 13.04 H new ATOM 811 N PHE A 53 1.368 17.181 -4.740 1.00 30.35 N ATOM 812 CA PHE A 53 0.472 16.434 -3.864 1.00 4.13 C ATOM 813 C PHE A 53 0.883 14.966 -3.790 1.00 0.45 C ATOM 814 O PHE A 53 0.554 14.172 -4.671 1.00 13.50 O ATOM 815 CB PHE A 53 -0.971 16.547 -4.359 1.00 1.21 C ATOM 816 CG PHE A 53 -1.991 16.161 -3.326 1.00 61.53 C ATOM 817 CD1 PHE A 53 -2.081 14.853 -2.878 1.00 25.23 C ATOM 818 CD2 PHE A 53 -2.860 17.105 -2.805 1.00 35.11 C ATOM 819 CE1 PHE A 53 -3.018 14.494 -1.927 1.00 62.43 C ATOM 820 CE2 PHE A 53 -3.799 16.752 -1.854 1.00 73.21 C ATOM 821 CZ PHE A 53 -3.879 15.444 -1.416 1.00 0.43 C ATOM 0 H PHE A 53 1.006 17.334 -5.681 1.00 30.35 H new ATOM 0 HA PHE A 53 0.540 16.863 -2.864 1.00 4.13 H new ATOM 0 HB2 PHE A 53 -1.158 17.573 -4.677 1.00 1.21 H new ATOM 0 HB3 PHE A 53 -1.096 15.913 -5.237 1.00 1.21 H new ATOM 0 HD1 PHE A 53 -1.411 14.105 -3.276 1.00 25.23 H new ATOM 0 HD2 PHE A 53 -2.803 18.128 -3.145 1.00 35.11 H new ATOM 0 HE1 PHE A 53 -3.076 13.471 -1.584 1.00 62.43 H new ATOM 0 HE2 PHE A 53 -4.470 17.498 -1.454 1.00 73.21 H new ATOM 0 HZ PHE A 53 -4.614 15.166 -0.675 1.00 0.43 H new ATOM 831 N VAL A 54 1.605 14.613 -2.731 1.00 63.11 N ATOM 832 CA VAL A 54 2.061 13.241 -2.540 1.00 43.22 C ATOM 833 C VAL A 54 1.260 12.543 -1.447 1.00 72.24 C ATOM 834 O VAL A 54 0.886 13.157 -0.447 1.00 64.01 O ATOM 835 CB VAL A 54 3.557 13.193 -2.175 1.00 71.53 C ATOM 836 CG1 VAL A 54 3.990 11.763 -1.888 1.00 2.25 C ATOM 837 CG2 VAL A 54 4.397 13.799 -3.289 1.00 74.15 C ATOM 0 H VAL A 54 1.887 15.258 -1.993 1.00 63.11 H new ATOM 0 HA VAL A 54 1.908 12.722 -3.486 1.00 43.22 H new ATOM 0 HB VAL A 54 3.712 13.783 -1.272 1.00 71.53 H new ATOM 0 HG11 VAL A 54 5.049 11.748 -1.632 1.00 2.25 H new ATOM 0 HG12 VAL A 54 3.410 11.367 -1.054 1.00 2.25 H new ATOM 0 HG13 VAL A 54 3.822 11.148 -2.772 1.00 2.25 H new ATOM 0 HG21 VAL A 54 5.451 13.757 -3.014 1.00 74.15 H new ATOM 0 HG22 VAL A 54 4.239 13.238 -4.210 1.00 74.15 H new ATOM 0 HG23 VAL A 54 4.103 14.837 -3.442 1.00 74.15 H new ATOM 847 N LEU A 55 0.999 11.255 -1.644 1.00 53.34 N ATOM 848 CA LEU A 55 0.241 10.471 -0.675 1.00 3.20 C ATOM 849 C LEU A 55 1.084 9.326 -0.123 1.00 4.21 C ATOM 850 O LEU A 55 1.299 8.320 -0.797 1.00 21.43 O ATOM 851 CB LEU A 55 -1.031 9.918 -1.319 1.00 50.14 C ATOM 852 CG LEU A 55 -2.171 10.917 -1.519 1.00 52.30 C ATOM 853 CD1 LEU A 55 -3.233 10.338 -2.441 1.00 41.31 C ATOM 854 CD2 LEU A 55 -2.780 11.306 -0.180 1.00 1.52 C ATOM 0 H LEU A 55 1.301 10.732 -2.466 1.00 53.34 H new ATOM 0 HA LEU A 55 -0.034 11.127 0.151 1.00 3.20 H new ATOM 0 HB2 LEU A 55 -0.769 9.497 -2.290 1.00 50.14 H new ATOM 0 HB3 LEU A 55 -1.398 9.097 -0.704 1.00 50.14 H new ATOM 0 HG LEU A 55 -1.764 11.814 -1.985 1.00 52.30 H new ATOM 0 HD11 LEU A 55 -4.036 11.063 -2.571 1.00 41.31 H new ATOM 0 HD12 LEU A 55 -2.789 10.110 -3.410 1.00 41.31 H new ATOM 0 HD13 LEU A 55 -3.636 9.425 -2.003 1.00 41.31 H new ATOM 0 HD21 LEU A 55 -3.590 12.018 -0.342 1.00 1.52 H new ATOM 0 HD22 LEU A 55 -3.172 10.417 0.314 1.00 1.52 H new ATOM 0 HD23 LEU A 55 -2.016 11.763 0.448 1.00 1.52 H new ATOM 866 N ASN A 56 1.558 9.487 1.108 1.00 0.25 N ATOM 867 CA ASN A 56 2.376 8.466 1.752 1.00 24.12 C ATOM 868 C ASN A 56 1.582 7.179 1.952 1.00 63.42 C ATOM 869 O ASN A 56 2.119 6.079 1.820 1.00 13.35 O ATOM 870 CB ASN A 56 2.895 8.973 3.100 1.00 72.35 C ATOM 871 CG ASN A 56 3.977 10.023 2.944 1.00 3.53 C ATOM 872 OD1 ASN A 56 3.864 10.930 2.120 1.00 52.53 O ATOM 873 ND2 ASN A 56 5.035 9.905 3.739 1.00 53.12 N ATOM 0 H ASN A 56 1.390 10.315 1.680 1.00 0.25 H new ATOM 0 HA ASN A 56 3.224 8.252 1.101 1.00 24.12 H new ATOM 0 HB2 ASN A 56 2.066 9.391 3.671 1.00 72.35 H new ATOM 0 HB3 ASN A 56 3.287 8.134 3.674 1.00 72.35 H new ATOM 0 HD21 ASN A 56 5.795 10.583 3.680 1.00 53.12 H new ATOM 0 HD22 ASN A 56 5.087 9.137 4.408 1.00 53.12 H new ATOM 880 N GLY A 57 0.299 7.324 2.270 1.00 44.13 N ATOM 881 CA GLY A 57 -0.548 6.165 2.482 1.00 52.41 C ATOM 882 C GLY A 57 -1.301 5.761 1.230 1.00 14.01 C ATOM 883 O GLY A 57 -1.768 4.628 1.116 1.00 4.34 O ATOM 0 H GLY A 57 -0.169 8.223 2.384 1.00 44.13 H new ATOM 0 HA2 GLY A 57 0.064 5.329 2.820 1.00 52.41 H new ATOM 0 HA3 GLY A 57 -1.261 6.381 3.278 1.00 52.41 H new ATOM 887 N GLY A 58 -1.422 6.691 0.287 1.00 14.05 N ATOM 888 CA GLY A 58 -2.127 6.407 -0.949 1.00 20.31 C ATOM 889 C GLY A 58 -3.574 6.856 -0.908 1.00 72.30 C ATOM 890 O GLY A 58 -3.927 7.767 -0.159 1.00 33.35 O ATOM 0 H GLY A 58 -1.044 7.636 0.357 1.00 14.05 H new ATOM 0 HA2 GLY A 58 -1.619 6.904 -1.776 1.00 20.31 H new ATOM 0 HA3 GLY A 58 -2.088 5.336 -1.148 1.00 20.31 H new ATOM 894 N ILE A 59 -4.413 6.217 -1.716 1.00 73.23 N ATOM 895 CA ILE A 59 -5.830 6.557 -1.769 1.00 63.53 C ATOM 896 C ILE A 59 -6.583 5.961 -0.585 1.00 24.14 C ATOM 897 O ILE A 59 -7.645 6.450 -0.203 1.00 74.02 O ATOM 898 CB ILE A 59 -6.478 6.063 -3.076 1.00 55.00 C ATOM 899 CG1 ILE A 59 -5.632 6.480 -4.280 1.00 62.34 C ATOM 900 CG2 ILE A 59 -7.894 6.607 -3.203 1.00 23.30 C ATOM 901 CD1 ILE A 59 -5.542 7.978 -4.467 1.00 13.23 C ATOM 0 H ILE A 59 -4.137 5.461 -2.343 1.00 73.23 H new ATOM 0 HA ILE A 59 -5.896 7.644 -1.728 1.00 63.53 H new ATOM 0 HB ILE A 59 -6.528 4.974 -3.051 1.00 55.00 H new ATOM 0 HG12 ILE A 59 -4.626 6.076 -4.164 1.00 62.34 H new ATOM 0 HG13 ILE A 59 -6.053 6.034 -5.181 1.00 62.34 H new ATOM 0 HG21 ILE A 59 -8.339 6.249 -4.131 1.00 23.30 H new ATOM 0 HG22 ILE A 59 -8.492 6.265 -2.358 1.00 23.30 H new ATOM 0 HG23 ILE A 59 -7.866 7.697 -3.210 1.00 23.30 H new ATOM 0 HD11 ILE A 59 -4.927 8.199 -5.339 1.00 13.23 H new ATOM 0 HD12 ILE A 59 -6.542 8.387 -4.615 1.00 13.23 H new ATOM 0 HD13 ILE A 59 -5.093 8.429 -3.582 1.00 13.23 H new ATOM 913 N GLU A 60 -6.023 4.903 -0.006 1.00 2.12 N ATOM 914 CA GLU A 60 -6.642 4.242 1.137 1.00 63.41 C ATOM 915 C GLU A 60 -6.769 5.200 2.317 1.00 4.23 C ATOM 916 O GLU A 60 -7.814 5.270 2.963 1.00 24.34 O ATOM 917 CB GLU A 60 -5.825 3.015 1.548 1.00 71.52 C ATOM 918 CG GLU A 60 -5.851 1.894 0.521 1.00 14.45 C ATOM 919 CD GLU A 60 -5.315 0.587 1.071 1.00 32.22 C ATOM 920 OE1 GLU A 60 -4.288 0.617 1.781 1.00 52.53 O ATOM 921 OE2 GLU A 60 -5.924 -0.467 0.792 1.00 63.55 O ATOM 0 H GLU A 60 -5.143 4.486 -0.309 1.00 2.12 H new ATOM 0 HA GLU A 60 -7.641 3.923 0.842 1.00 63.41 H new ATOM 0 HB2 GLU A 60 -4.792 3.317 1.717 1.00 71.52 H new ATOM 0 HB3 GLU A 60 -6.206 2.636 2.496 1.00 71.52 H new ATOM 0 HG2 GLU A 60 -6.874 1.746 0.176 1.00 14.45 H new ATOM 0 HG3 GLU A 60 -5.261 2.188 -0.347 1.00 14.45 H new ATOM 928 N GLU A 61 -5.697 5.937 2.592 1.00 25.31 N ATOM 929 CA GLU A 61 -5.688 6.890 3.695 1.00 22.05 C ATOM 930 C GLU A 61 -6.613 8.068 3.404 1.00 31.00 C ATOM 931 O GLU A 61 -7.231 8.627 4.312 1.00 65.42 O ATOM 932 CB GLU A 61 -4.266 7.395 3.951 1.00 12.01 C ATOM 933 CG GLU A 61 -3.569 7.909 2.703 1.00 71.24 C ATOM 934 CD GLU A 61 -2.364 8.772 3.021 1.00 42.11 C ATOM 935 OE1 GLU A 61 -2.058 8.946 4.219 1.00 44.12 O ATOM 936 OE2 GLU A 61 -1.727 9.273 2.071 1.00 45.51 O ATOM 0 H GLU A 61 -4.824 5.892 2.066 1.00 25.31 H new ATOM 0 HA GLU A 61 -6.050 6.378 4.587 1.00 22.05 H new ATOM 0 HB2 GLU A 61 -4.301 8.193 4.692 1.00 12.01 H new ATOM 0 HB3 GLU A 61 -3.674 6.587 4.381 1.00 12.01 H new ATOM 0 HG2 GLU A 61 -3.254 7.063 2.093 1.00 71.24 H new ATOM 0 HG3 GLU A 61 -4.277 8.485 2.107 1.00 71.24 H new ATOM 943 N LEU A 62 -6.704 8.441 2.132 1.00 24.32 N ATOM 944 CA LEU A 62 -7.553 9.553 1.720 1.00 62.25 C ATOM 945 C LEU A 62 -9.028 9.180 1.827 1.00 11.40 C ATOM 946 O LEU A 62 -9.865 10.014 2.174 1.00 71.11 O ATOM 947 CB LEU A 62 -7.223 9.967 0.284 1.00 21.14 C ATOM 948 CG LEU A 62 -7.402 11.449 -0.044 1.00 51.44 C ATOM 949 CD1 LEU A 62 -6.432 12.297 0.764 1.00 64.42 C ATOM 950 CD2 LEU A 62 -7.212 11.692 -1.535 1.00 24.04 C ATOM 0 H LEU A 62 -6.200 7.990 1.368 1.00 24.32 H new ATOM 0 HA LEU A 62 -7.360 10.393 2.388 1.00 62.25 H new ATOM 0 HB2 LEU A 62 -6.189 9.692 0.076 1.00 21.14 H new ATOM 0 HB3 LEU A 62 -7.850 9.387 -0.393 1.00 21.14 H new ATOM 0 HG LEU A 62 -8.417 11.740 0.225 1.00 51.44 H new ATOM 0 HD11 LEU A 62 -6.575 13.349 0.516 1.00 64.42 H new ATOM 0 HD12 LEU A 62 -6.616 12.146 1.828 1.00 64.42 H new ATOM 0 HD13 LEU A 62 -5.409 12.004 0.528 1.00 64.42 H new ATOM 0 HD21 LEU A 62 -7.343 12.752 -1.750 1.00 24.04 H new ATOM 0 HD22 LEU A 62 -6.209 11.383 -1.829 1.00 24.04 H new ATOM 0 HD23 LEU A 62 -7.948 11.114 -2.094 1.00 24.04 H new ATOM 962 N ARG A 63 -9.339 7.923 1.529 1.00 1.13 N ATOM 963 CA ARG A 63 -10.713 7.440 1.593 1.00 20.05 C ATOM 964 C ARG A 63 -11.246 7.506 3.022 1.00 72.43 C ATOM 965 O ARG A 63 -12.363 7.968 3.258 1.00 32.12 O ATOM 966 CB ARG A 63 -10.796 6.004 1.072 1.00 12.22 C ATOM 967 CG ARG A 63 -10.865 5.909 -0.443 1.00 42.53 C ATOM 968 CD ARG A 63 -10.337 4.573 -0.942 1.00 53.44 C ATOM 969 NE ARG A 63 -10.243 4.532 -2.399 1.00 74.22 N ATOM 970 CZ ARG A 63 -9.673 3.538 -3.071 1.00 22.22 C ATOM 971 NH1 ARG A 63 -9.149 2.509 -2.420 1.00 25.42 N ATOM 972 NH2 ARG A 63 -9.626 3.572 -4.396 1.00 74.24 N ATOM 0 H ARG A 63 -8.658 7.220 1.241 1.00 1.13 H new ATOM 0 HA ARG A 63 -11.328 8.083 0.964 1.00 20.05 H new ATOM 0 HB2 ARG A 63 -9.927 5.448 1.423 1.00 12.22 H new ATOM 0 HB3 ARG A 63 -11.676 5.522 1.498 1.00 12.22 H new ATOM 0 HG2 ARG A 63 -11.897 6.039 -0.770 1.00 42.53 H new ATOM 0 HG3 ARG A 63 -10.286 6.719 -0.886 1.00 42.53 H new ATOM 0 HD2 ARG A 63 -9.354 4.387 -0.510 1.00 53.44 H new ATOM 0 HD3 ARG A 63 -10.992 3.773 -0.598 1.00 53.44 H new ATOM 0 HE ARG A 63 -10.637 5.309 -2.930 1.00 74.22 H new ATOM 0 HH11 ARG A 63 -9.183 2.479 -1.401 1.00 25.42 H new ATOM 0 HH12 ARG A 63 -8.712 1.747 -2.938 1.00 25.42 H new ATOM 0 HH21 ARG A 63 -10.028 4.362 -4.900 1.00 74.24 H new ATOM 0 HH22 ARG A 63 -9.188 2.808 -4.911 1.00 74.24 H new ATOM 986 N LEU A 64 -10.441 7.040 3.970 1.00 31.11 N ATOM 987 CA LEU A 64 -10.832 7.045 5.376 1.00 45.03 C ATOM 988 C LEU A 64 -11.004 8.471 5.888 1.00 51.43 C ATOM 989 O LEU A 64 -11.869 8.743 6.722 1.00 60.32 O ATOM 990 CB LEU A 64 -9.787 6.312 6.218 1.00 24.53 C ATOM 991 CG LEU A 64 -9.710 4.797 6.023 1.00 22.11 C ATOM 992 CD1 LEU A 64 -8.638 4.197 6.919 1.00 22.24 C ATOM 993 CD2 LEU A 64 -11.061 4.154 6.301 1.00 40.21 C ATOM 0 H LEU A 64 -9.514 6.654 3.791 1.00 31.11 H new ATOM 0 HA LEU A 64 -11.788 6.529 5.464 1.00 45.03 H new ATOM 0 HB2 LEU A 64 -8.808 6.737 5.996 1.00 24.53 H new ATOM 0 HB3 LEU A 64 -9.991 6.513 7.270 1.00 24.53 H new ATOM 0 HG LEU A 64 -9.441 4.597 4.986 1.00 22.11 H new ATOM 0 HD11 LEU A 64 -8.598 3.118 6.766 1.00 22.24 H new ATOM 0 HD12 LEU A 64 -7.671 4.635 6.672 1.00 22.24 H new ATOM 0 HD13 LEU A 64 -8.876 4.407 7.962 1.00 22.24 H new ATOM 0 HD21 LEU A 64 -10.987 3.076 6.157 1.00 40.21 H new ATOM 0 HD22 LEU A 64 -11.359 4.364 7.328 1.00 40.21 H new ATOM 0 HD23 LEU A 64 -11.805 4.561 5.617 1.00 40.21 H new ATOM 1005 N LEU A 65 -10.178 9.380 5.382 1.00 44.02 N ATOM 1006 CA LEU A 65 -10.240 10.780 5.786 1.00 40.40 C ATOM 1007 C LEU A 65 -11.654 11.330 5.628 1.00 42.43 C ATOM 1008 O LEU A 65 -12.368 11.531 6.611 1.00 71.33 O ATOM 1009 CB LEU A 65 -9.260 11.615 4.959 1.00 74.54 C ATOM 1010 CG LEU A 65 -7.928 11.947 5.631 1.00 63.13 C ATOM 1011 CD1 LEU A 65 -7.004 12.664 4.659 1.00 40.33 C ATOM 1012 CD2 LEU A 65 -8.155 12.792 6.876 1.00 65.40 C ATOM 0 H LEU A 65 -9.457 9.172 4.691 1.00 44.02 H new ATOM 0 HA LEU A 65 -9.961 10.841 6.838 1.00 40.40 H new ATOM 0 HB2 LEU A 65 -9.053 11.082 4.031 1.00 74.54 H new ATOM 0 HB3 LEU A 65 -9.750 12.550 4.687 1.00 74.54 H new ATOM 0 HG LEU A 65 -7.452 11.014 5.932 1.00 63.13 H new ATOM 0 HD11 LEU A 65 -6.061 12.892 5.155 1.00 40.33 H new ATOM 0 HD12 LEU A 65 -6.815 12.024 3.797 1.00 40.33 H new ATOM 0 HD13 LEU A 65 -7.473 13.590 4.327 1.00 40.33 H new ATOM 0 HD21 LEU A 65 -7.196 13.019 7.342 1.00 65.40 H new ATOM 0 HD22 LEU A 65 -8.653 13.721 6.599 1.00 65.40 H new ATOM 0 HD23 LEU A 65 -8.779 12.242 7.580 1.00 65.40 H new ATOM 1024 N THR A 66 -12.054 11.571 4.383 1.00 42.31 N ATOM 1025 CA THR A 66 -13.382 12.097 4.095 1.00 33.11 C ATOM 1026 C THR A 66 -14.462 11.072 4.424 1.00 10.43 C ATOM 1027 O THR A 66 -15.603 11.430 4.714 1.00 21.12 O ATOM 1028 CB THR A 66 -13.515 12.509 2.617 1.00 53.21 C ATOM 1029 OG1 THR A 66 -14.868 12.884 2.333 1.00 43.32 O ATOM 1030 CG2 THR A 66 -13.095 11.372 1.698 1.00 35.21 C ATOM 0 H THR A 66 -11.476 11.410 3.558 1.00 42.31 H new ATOM 0 HA THR A 66 -13.516 12.978 4.723 1.00 33.11 H new ATOM 0 HB THR A 66 -12.857 13.360 2.439 1.00 53.21 H new ATOM 0 HG1 THR A 66 -15.453 12.570 3.054 1.00 43.32 H new ATOM 0 HG21 THR A 66 -13.198 11.687 0.659 1.00 35.21 H new ATOM 0 HG22 THR A 66 -12.056 11.109 1.896 1.00 35.21 H new ATOM 0 HG23 THR A 66 -13.730 10.505 1.879 1.00 35.21 H new ATOM 1038 N GLY A 67 -14.094 9.796 4.378 1.00 21.42 N ATOM 1039 CA GLY A 67 -15.043 8.739 4.675 1.00 72.34 C ATOM 1040 C GLY A 67 -15.544 8.042 3.425 1.00 23.30 C ATOM 1041 O GLY A 67 -16.158 6.977 3.503 1.00 4.43 O ATOM 0 H GLY A 67 -13.155 9.475 4.140 1.00 21.42 H new ATOM 0 HA2 GLY A 67 -14.573 8.007 5.332 1.00 72.34 H new ATOM 0 HA3 GLY A 67 -15.890 9.158 5.218 1.00 72.34 H new ATOM 1045 N ASP A 68 -15.283 8.643 2.270 1.00 62.14 N ATOM 1046 CA ASP A 68 -15.712 8.073 0.997 1.00 3.54 C ATOM 1047 C ASP A 68 -14.766 6.962 0.553 1.00 1.11 C ATOM 1048 O ASP A 68 -13.670 7.227 0.058 1.00 75.42 O ATOM 1049 CB ASP A 68 -15.780 9.161 -0.076 1.00 2.34 C ATOM 1050 CG ASP A 68 -17.199 9.433 -0.536 1.00 23.52 C ATOM 1051 OD1 ASP A 68 -17.986 8.468 -0.629 1.00 13.22 O ATOM 1052 OD2 ASP A 68 -17.521 10.609 -0.804 1.00 12.11 O ATOM 0 H ASP A 68 -14.777 9.525 2.188 1.00 62.14 H new ATOM 0 HA ASP A 68 -16.706 7.646 1.134 1.00 3.54 H new ATOM 0 HB2 ASP A 68 -15.345 10.081 0.315 1.00 2.34 H new ATOM 0 HB3 ASP A 68 -15.175 8.862 -0.932 1.00 2.34 H new ATOM 1057 N SER A 69 -15.196 5.718 0.735 1.00 74.31 N ATOM 1058 CA SER A 69 -14.386 4.566 0.357 1.00 30.34 C ATOM 1059 C SER A 69 -14.249 4.471 -1.159 1.00 42.52 C ATOM 1060 O SER A 69 -13.341 3.817 -1.674 1.00 1.35 O ATOM 1061 CB SER A 69 -15.005 3.278 0.906 1.00 41.52 C ATOM 1062 OG SER A 69 -14.214 2.151 0.574 1.00 60.45 O ATOM 0 H SER A 69 -16.101 5.482 1.142 1.00 74.31 H new ATOM 0 HA SER A 69 -13.393 4.696 0.786 1.00 30.34 H new ATOM 0 HB2 SER A 69 -15.103 3.351 1.989 1.00 41.52 H new ATOM 0 HB3 SER A 69 -16.010 3.153 0.502 1.00 41.52 H new ATOM 0 HG SER A 69 -14.630 1.341 0.937 1.00 60.45 H new ATOM 1068 N THR A 70 -15.158 5.130 -1.871 1.00 42.34 N ATOM 1069 CA THR A 70 -15.140 5.121 -3.329 1.00 15.03 C ATOM 1070 C THR A 70 -14.401 6.336 -3.878 1.00 32.14 C ATOM 1071 O THR A 70 -14.640 6.763 -5.008 1.00 74.30 O ATOM 1072 CB THR A 70 -16.568 5.098 -3.907 1.00 41.33 C ATOM 1073 OG1 THR A 70 -17.405 6.005 -3.181 1.00 34.41 O ATOM 1074 CG2 THR A 70 -17.155 3.696 -3.845 1.00 1.33 C ATOM 0 H THR A 70 -15.916 5.677 -1.462 1.00 42.34 H new ATOM 0 HA THR A 70 -14.617 4.214 -3.633 1.00 15.03 H new ATOM 0 HB THR A 70 -16.519 5.407 -4.951 1.00 41.33 H new ATOM 0 HG1 THR A 70 -18.310 5.986 -3.556 1.00 34.41 H new ATOM 0 HG21 THR A 70 -18.163 3.705 -4.259 1.00 1.33 H new ATOM 0 HG22 THR A 70 -16.532 3.015 -4.424 1.00 1.33 H new ATOM 0 HG23 THR A 70 -17.191 3.362 -2.808 1.00 1.33 H new ATOM 1082 N LEU A 71 -13.502 6.889 -3.072 1.00 23.05 N ATOM 1083 CA LEU A 71 -12.726 8.056 -3.477 1.00 63.23 C ATOM 1084 C LEU A 71 -11.562 7.650 -4.377 1.00 15.23 C ATOM 1085 O LEU A 71 -10.677 6.903 -3.963 1.00 31.25 O ATOM 1086 CB LEU A 71 -12.199 8.796 -2.246 1.00 74.04 C ATOM 1087 CG LEU A 71 -11.242 9.957 -2.519 1.00 73.35 C ATOM 1088 CD1 LEU A 71 -11.511 11.107 -1.561 1.00 60.15 C ATOM 1089 CD2 LEU A 71 -9.797 9.494 -2.408 1.00 20.32 C ATOM 0 H LEU A 71 -13.292 6.548 -2.134 1.00 23.05 H new ATOM 0 HA LEU A 71 -13.382 8.720 -4.039 1.00 63.23 H new ATOM 0 HB2 LEU A 71 -13.051 9.178 -1.684 1.00 74.04 H new ATOM 0 HB3 LEU A 71 -11.691 8.076 -1.604 1.00 74.04 H new ATOM 0 HG LEU A 71 -11.412 10.312 -3.536 1.00 73.35 H new ATOM 0 HD11 LEU A 71 -10.820 11.924 -1.770 1.00 60.15 H new ATOM 0 HD12 LEU A 71 -12.536 11.456 -1.690 1.00 60.15 H new ATOM 0 HD13 LEU A 71 -11.370 10.767 -0.535 1.00 60.15 H new ATOM 0 HD21 LEU A 71 -9.130 10.333 -2.605 1.00 20.32 H new ATOM 0 HD22 LEU A 71 -9.613 9.113 -1.404 1.00 20.32 H new ATOM 0 HD23 LEU A 71 -9.611 8.704 -3.136 1.00 20.32 H new ATOM 1101 N GLU A 72 -11.571 8.150 -5.608 1.00 51.34 N ATOM 1102 CA GLU A 72 -10.515 7.840 -6.565 1.00 54.44 C ATOM 1103 C GLU A 72 -9.810 9.112 -7.028 1.00 52.12 C ATOM 1104 O GLU A 72 -10.389 10.199 -7.005 1.00 70.32 O ATOM 1105 CB GLU A 72 -11.092 7.096 -7.772 1.00 12.34 C ATOM 1106 CG GLU A 72 -12.052 5.980 -7.396 1.00 15.31 C ATOM 1107 CD GLU A 72 -11.986 4.806 -8.353 1.00 44.34 C ATOM 1108 OE1 GLU A 72 -11.105 3.940 -8.168 1.00 73.11 O ATOM 1109 OE2 GLU A 72 -12.813 4.754 -9.287 1.00 64.24 O ATOM 0 H GLU A 72 -12.297 8.771 -5.966 1.00 51.34 H new ATOM 0 HA GLU A 72 -9.785 7.201 -6.068 1.00 54.44 H new ATOM 0 HB2 GLU A 72 -11.610 7.809 -8.414 1.00 12.34 H new ATOM 0 HB3 GLU A 72 -10.272 6.678 -8.356 1.00 12.34 H new ATOM 0 HG2 GLU A 72 -11.825 5.635 -6.387 1.00 15.31 H new ATOM 0 HG3 GLU A 72 -13.069 6.372 -7.377 1.00 15.31 H new ATOM 1116 N ILE A 73 -8.557 8.968 -7.447 1.00 35.21 N ATOM 1117 CA ILE A 73 -7.773 10.104 -7.915 1.00 74.23 C ATOM 1118 C ILE A 73 -7.180 9.832 -9.294 1.00 34.44 C ATOM 1119 O ILE A 73 -6.532 8.808 -9.509 1.00 51.13 O ATOM 1120 CB ILE A 73 -6.634 10.443 -6.936 1.00 41.35 C ATOM 1121 CG1 ILE A 73 -7.201 10.779 -5.556 1.00 33.03 C ATOM 1122 CG2 ILE A 73 -5.805 11.602 -7.470 1.00 63.33 C ATOM 1123 CD1 ILE A 73 -6.142 11.149 -4.541 1.00 54.40 C ATOM 0 H ILE A 73 -8.063 8.076 -7.472 1.00 35.21 H new ATOM 0 HA ILE A 73 -8.453 10.954 -7.976 1.00 74.23 H new ATOM 0 HB ILE A 73 -5.986 9.572 -6.839 1.00 41.35 H new ATOM 0 HG12 ILE A 73 -7.905 11.606 -5.653 1.00 33.03 H new ATOM 0 HG13 ILE A 73 -7.764 9.923 -5.185 1.00 33.03 H new ATOM 0 HG21 ILE A 73 -5.004 11.830 -6.767 1.00 63.33 H new ATOM 0 HG22 ILE A 73 -5.376 11.328 -8.434 1.00 63.33 H new ATOM 0 HG23 ILE A 73 -6.441 12.479 -7.592 1.00 63.33 H new ATOM 0 HD11 ILE A 73 -6.616 11.375 -3.586 1.00 54.40 H new ATOM 0 HD12 ILE A 73 -5.452 10.315 -4.415 1.00 54.40 H new ATOM 0 HD13 ILE A 73 -5.594 12.024 -4.890 1.00 54.40 H new ATOM 1135 N GLN A 74 -7.406 10.756 -10.222 1.00 31.42 N ATOM 1136 CA GLN A 74 -6.893 10.615 -11.579 1.00 43.34 C ATOM 1137 C GLN A 74 -6.370 11.949 -12.104 1.00 71.52 C ATOM 1138 O GLN A 74 -6.737 13.020 -11.622 1.00 54.22 O ATOM 1139 CB GLN A 74 -7.985 10.081 -12.508 1.00 1.14 C ATOM 1140 CG GLN A 74 -9.387 10.507 -12.105 1.00 55.31 C ATOM 1141 CD GLN A 74 -10.444 10.035 -13.084 1.00 14.10 C ATOM 1142 OE1 GLN A 74 -10.289 9.000 -13.732 1.00 23.42 O ATOM 1143 NE2 GLN A 74 -11.528 10.794 -13.197 1.00 34.23 N ATOM 0 H GLN A 74 -7.940 11.609 -10.059 1.00 31.42 H new ATOM 0 HA GLN A 74 -6.067 9.904 -11.556 1.00 43.34 H new ATOM 0 HB2 GLN A 74 -7.787 10.425 -13.523 1.00 1.14 H new ATOM 0 HB3 GLN A 74 -7.936 8.992 -12.525 1.00 1.14 H new ATOM 0 HG2 GLN A 74 -9.612 10.112 -11.114 1.00 55.31 H new ATOM 0 HG3 GLN A 74 -9.425 11.594 -12.031 1.00 55.31 H new ATOM 0 HE21 GLN A 74 -11.615 11.644 -12.640 1.00 34.23 H new ATOM 0 HE22 GLN A 74 -12.273 10.527 -13.840 1.00 34.23 H new ATOM 1152 N PRO A 75 -5.492 11.883 -13.116 1.00 3.42 N ATOM 1153 CA PRO A 75 -4.900 13.077 -13.728 1.00 62.53 C ATOM 1154 C PRO A 75 -5.916 13.880 -14.533 1.00 20.21 C ATOM 1155 O PRO A 75 -6.536 13.361 -15.461 1.00 0.41 O ATOM 1156 CB PRO A 75 -3.820 12.504 -14.650 1.00 73.30 C ATOM 1157 CG PRO A 75 -4.285 11.124 -14.966 1.00 30.12 C ATOM 1158 CD PRO A 75 -5.009 10.640 -13.740 1.00 11.11 C ATOM 0 HA PRO A 75 -4.517 13.771 -12.980 1.00 62.53 H new ATOM 0 HB2 PRO A 75 -3.713 13.103 -15.555 1.00 73.30 H new ATOM 0 HB3 PRO A 75 -2.847 12.491 -14.160 1.00 73.30 H new ATOM 0 HG2 PRO A 75 -4.944 11.124 -15.834 1.00 30.12 H new ATOM 0 HG3 PRO A 75 -3.443 10.474 -15.204 1.00 30.12 H new ATOM 0 HD2 PRO A 75 -5.832 9.973 -13.997 1.00 11.11 H new ATOM 0 HD3 PRO A 75 -4.346 10.087 -13.074 1.00 11.11 H new ATOM 1166 N MET A 76 -6.081 15.148 -14.171 1.00 60.12 N ATOM 1167 CA MET A 76 -7.021 16.023 -14.862 1.00 33.03 C ATOM 1168 C MET A 76 -6.483 16.427 -16.230 1.00 52.35 C ATOM 1169 O MET A 76 -5.384 16.971 -16.339 1.00 64.23 O ATOM 1170 CB MET A 76 -7.301 17.271 -14.022 1.00 21.33 C ATOM 1171 CG MET A 76 -8.406 18.148 -14.586 1.00 51.35 C ATOM 1172 SD MET A 76 -7.782 19.417 -15.705 1.00 51.24 S ATOM 1173 CE MET A 76 -8.560 20.880 -15.025 1.00 45.42 C ATOM 0 H MET A 76 -5.577 15.592 -13.404 1.00 60.12 H new ATOM 0 HA MET A 76 -7.952 15.474 -15.005 1.00 33.03 H new ATOM 0 HB2 MET A 76 -7.571 16.965 -13.011 1.00 21.33 H new ATOM 0 HB3 MET A 76 -6.386 17.859 -13.943 1.00 21.33 H new ATOM 0 HG2 MET A 76 -9.125 17.524 -15.116 1.00 51.35 H new ATOM 0 HG3 MET A 76 -8.941 18.624 -13.765 1.00 51.35 H new ATOM 0 HE1 MET A 76 -8.270 21.752 -15.611 1.00 45.42 H new ATOM 0 HE2 MET A 76 -9.643 20.765 -15.058 1.00 45.42 H new ATOM 0 HE3 MET A 76 -8.241 21.015 -13.992 1.00 45.42 H new ATOM 1183 N ILE A 77 -7.264 16.158 -17.271 1.00 51.43 N ATOM 1184 CA ILE A 77 -6.865 16.495 -18.632 1.00 52.32 C ATOM 1185 C ILE A 77 -7.273 17.921 -18.988 1.00 11.15 C ATOM 1186 O ILE A 77 -8.403 18.338 -18.730 1.00 25.21 O ATOM 1187 CB ILE A 77 -7.484 15.526 -19.657 1.00 30.15 C ATOM 1188 CG1 ILE A 77 -7.241 14.076 -19.231 1.00 15.43 C ATOM 1189 CG2 ILE A 77 -6.908 15.780 -21.042 1.00 11.35 C ATOM 1190 CD1 ILE A 77 -7.851 13.060 -20.171 1.00 44.43 C ATOM 0 H ILE A 77 -8.176 15.708 -17.198 1.00 51.43 H new ATOM 0 HA ILE A 77 -5.779 16.409 -18.672 1.00 52.32 H new ATOM 0 HB ILE A 77 -8.559 15.699 -19.695 1.00 30.15 H new ATOM 0 HG12 ILE A 77 -6.167 13.900 -19.166 1.00 15.43 H new ATOM 0 HG13 ILE A 77 -7.650 13.926 -18.232 1.00 15.43 H new ATOM 0 HG21 ILE A 77 -7.355 15.087 -21.755 1.00 11.35 H new ATOM 0 HG22 ILE A 77 -7.127 16.804 -21.345 1.00 11.35 H new ATOM 0 HG23 ILE A 77 -5.828 15.631 -21.020 1.00 11.35 H new ATOM 0 HD11 ILE A 77 -7.639 12.055 -19.807 1.00 44.43 H new ATOM 0 HD12 ILE A 77 -8.930 13.209 -20.218 1.00 44.43 H new ATOM 0 HD13 ILE A 77 -7.424 13.183 -21.166 1.00 44.43 H new