USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -83:sc= 1.76 USER MOD Set 1.2: A 57 SER OG : rot 32:sc= 1.01 USER MOD Set 2.1: A 22 THR OG1 : rot -41:sc= 1.19 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.69 K(o=2.9,f=-5.8!) USER MOD Set 3.1: A 7 THR OG1 : rot 121:sc= 1.84 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0198 (180deg=-0.0198) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 1.04 (180deg=0.397) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00291 USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= 1.29 (180deg=1.06!) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 1.26 (180deg=0.571) USER MOD Single : A 31 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.8) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= 0.0943 (180deg=0.0204) USER MOD Single : A 40 GLN : amide:sc= 0.385 K(o=0.39,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.76 K(o=0.76,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.595 K(o=0.6,f=-4!) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.458 USER MOD Single : A 60 ASN : amide:sc= -0.0593 X(o=-0.059,f=-0.4) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0.937) USER MOD Single : A 65 SER OG : rot 96:sc= 1.18 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.724 51.960 19.272 1.00 0.00 N ATOM 2 CA MET A 1 32.879 52.369 20.676 1.00 0.00 C ATOM 3 C MET A 1 34.363 52.518 21.019 1.00 0.00 C ATOM 4 O MET A 1 35.204 51.962 20.317 1.00 0.00 O ATOM 5 CB MET A 1 32.094 51.484 21.638 1.00 0.00 C ATOM 6 CG MET A 1 32.478 50.008 21.695 1.00 0.00 C ATOM 7 SD MET A 1 34.018 49.641 22.572 1.00 0.00 S ATOM 8 CE MET A 1 33.910 47.834 22.618 1.00 0.00 C ATOM 0 H1 MET A 1 31.713 51.861 19.049 1.00 0.00 H new ATOM 0 H2 MET A 1 33.147 52.680 18.652 1.00 0.00 H new ATOM 0 H3 MET A 1 33.202 51.049 19.121 1.00 0.00 H new ATOM 0 HA MET A 1 32.427 53.353 20.805 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.197 51.899 22.640 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.039 51.549 21.373 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.668 49.457 22.172 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.562 49.632 20.675 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.785 47.430 23.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.008 47.537 23.154 1.00 0.00 H new ATOM 0 HE3 MET A 1 33.872 47.446 21.600 1.00 0.00 H new ATOM 20 N GLN A 2 34.693 53.288 22.051 1.00 0.00 N ATOM 21 CA GLN A 2 36.043 53.674 22.412 1.00 0.00 C ATOM 22 C GLN A 2 36.589 52.834 23.568 1.00 0.00 C ATOM 23 O GLN A 2 35.907 52.660 24.576 1.00 0.00 O ATOM 24 CB GLN A 2 36.017 55.164 22.739 1.00 0.00 C ATOM 25 CG GLN A 2 37.392 55.801 22.923 1.00 0.00 C ATOM 26 CD GLN A 2 37.264 57.282 23.284 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.695 57.656 24.308 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.729 58.210 22.453 1.00 0.00 N ATOM 0 H GLN A 2 33.992 53.674 22.683 1.00 0.00 H new ATOM 0 HA GLN A 2 36.724 53.488 21.582 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.493 55.688 21.940 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.438 55.312 23.651 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.938 55.277 23.708 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.972 55.695 22.006 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.206 57.933 21.595 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.609 59.199 22.674 1.00 0.00 H new ATOM 37 N ILE A 3 37.829 52.368 23.457 1.00 0.00 N ATOM 38 CA ILE A 3 38.564 51.678 24.497 1.00 0.00 C ATOM 39 C ILE A 3 40.042 52.077 24.497 1.00 0.00 C ATOM 40 O ILE A 3 40.600 52.500 23.487 1.00 0.00 O ATOM 41 CB ILE A 3 38.416 50.161 24.425 1.00 0.00 C ATOM 42 CG1 ILE A 3 38.624 49.599 23.022 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.075 49.716 25.004 1.00 0.00 C ATOM 44 CD1 ILE A 3 38.781 48.082 22.972 1.00 0.00 C ATOM 0 H ILE A 3 38.369 52.469 22.597 1.00 0.00 H new ATOM 0 HA ILE A 3 38.119 51.995 25.440 1.00 0.00 H new ATOM 0 HB ILE A 3 39.217 49.746 25.037 1.00 0.00 H new ATOM 0 HG12 ILE A 3 37.777 49.886 22.399 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.511 50.059 22.586 1.00 0.00 H new ATOM 0 HG21 ILE A 3 36.994 48.631 24.941 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.009 50.025 26.047 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.264 50.174 24.438 1.00 0.00 H new ATOM 0 HD11 ILE A 3 38.924 47.765 21.939 1.00 0.00 H new ATOM 0 HD12 ILE A 3 39.646 47.786 23.566 1.00 0.00 H new ATOM 0 HD13 ILE A 3 37.885 47.610 23.375 1.00 0.00 H new ATOM 56 N PHE A 4 40.705 51.929 25.641 1.00 0.00 N ATOM 57 CA PHE A 4 42.050 52.413 25.874 1.00 0.00 C ATOM 58 C PHE A 4 43.075 51.281 25.956 1.00 0.00 C ATOM 59 O PHE A 4 42.727 50.140 26.253 1.00 0.00 O ATOM 60 CB PHE A 4 42.055 53.275 27.134 1.00 0.00 C ATOM 61 CG PHE A 4 40.910 54.251 27.247 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.858 55.369 26.405 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.886 54.044 28.180 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.778 56.257 26.471 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.820 54.945 28.265 1.00 0.00 C ATOM 66 CZ PHE A 4 38.750 56.042 27.398 1.00 0.00 C ATOM 0 H PHE A 4 40.304 51.455 26.450 1.00 0.00 H new ATOM 0 HA PHE A 4 42.353 53.019 25.020 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.040 52.619 28.004 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.991 53.832 27.171 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.657 55.547 25.700 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.920 53.186 28.835 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.737 57.108 25.807 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.047 54.794 29.003 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.909 56.718 27.444 1.00 0.00 H new ATOM 76 N VAL A 5 44.345 51.587 25.706 1.00 0.00 N ATOM 77 CA VAL A 5 45.472 50.694 25.886 1.00 0.00 C ATOM 78 C VAL A 5 46.569 51.425 26.661 1.00 0.00 C ATOM 79 O VAL A 5 46.873 52.569 26.328 1.00 0.00 O ATOM 80 CB VAL A 5 46.043 50.192 24.563 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.082 49.098 24.783 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.981 49.627 23.624 1.00 0.00 C ATOM 0 H VAL A 5 44.622 52.505 25.358 1.00 0.00 H new ATOM 0 HA VAL A 5 45.115 49.824 26.437 1.00 0.00 H new ATOM 0 HB VAL A 5 46.494 51.072 24.104 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.468 48.764 23.820 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.901 49.490 25.386 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.621 48.257 25.301 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.454 49.288 22.702 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.480 48.787 24.105 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.250 50.402 23.393 1.00 0.00 H new ATOM 92 N LYS A 6 47.191 50.774 27.640 1.00 0.00 N ATOM 93 CA LYS A 6 48.374 51.254 28.325 1.00 0.00 C ATOM 94 C LYS A 6 49.572 50.324 28.120 1.00 0.00 C ATOM 95 O LYS A 6 49.449 49.110 28.262 1.00 0.00 O ATOM 96 CB LYS A 6 48.058 51.528 29.793 1.00 0.00 C ATOM 97 CG LYS A 6 49.216 52.249 30.480 1.00 0.00 C ATOM 98 CD LYS A 6 48.856 52.821 31.848 1.00 0.00 C ATOM 99 CE LYS A 6 48.457 51.740 32.849 1.00 0.00 C ATOM 100 NZ LYS A 6 48.069 52.337 34.136 1.00 0.00 N ATOM 0 H LYS A 6 46.870 49.869 27.985 1.00 0.00 H new ATOM 0 HA LYS A 6 48.675 52.203 27.881 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.154 52.133 29.867 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.855 50.588 30.306 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.049 51.555 30.594 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.561 53.058 29.837 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.707 53.378 32.240 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.035 53.529 31.737 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.628 51.156 32.449 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.289 51.052 32.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.802 51.584 34.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.870 52.874 34.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.261 52.976 33.993 1.00 0.00 H new ATOM 114 N THR A 7 50.731 50.887 27.792 1.00 0.00 N ATOM 115 CA THR A 7 51.966 50.157 27.590 1.00 0.00 C ATOM 116 C THR A 7 52.682 49.846 28.906 1.00 0.00 C ATOM 117 O THR A 7 52.513 50.556 29.894 1.00 0.00 O ATOM 118 CB THR A 7 52.915 50.915 26.666 1.00 0.00 C ATOM 119 OG1 THR A 7 53.350 52.103 27.285 1.00 0.00 O ATOM 120 CG2 THR A 7 52.293 51.305 25.328 1.00 0.00 C ATOM 0 H THR A 7 50.834 51.893 27.657 1.00 0.00 H new ATOM 0 HA THR A 7 51.685 49.213 27.123 1.00 0.00 H new ATOM 0 HB THR A 7 53.738 50.227 26.474 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.327 52.096 27.356 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.028 51.840 24.727 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.976 50.407 24.798 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.430 51.947 25.502 1.00 0.00 H new ATOM 128 N LEU A 8 53.568 48.854 28.906 1.00 0.00 N ATOM 129 CA LEU A 8 54.502 48.608 29.986 1.00 0.00 C ATOM 130 C LEU A 8 55.427 49.802 30.231 1.00 0.00 C ATOM 131 O LEU A 8 55.814 50.063 31.368 1.00 0.00 O ATOM 132 CB LEU A 8 55.303 47.350 29.668 1.00 0.00 C ATOM 133 CG LEU A 8 56.216 46.851 30.786 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.425 46.430 32.022 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.009 45.636 30.314 1.00 0.00 C ATOM 0 H LEU A 8 53.654 48.189 28.137 1.00 0.00 H new ATOM 0 HA LEU A 8 53.939 48.463 30.908 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.606 46.553 29.409 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.911 47.542 28.784 1.00 0.00 H new ATOM 0 HG LEU A 8 56.878 47.678 31.043 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.113 46.082 32.793 1.00 0.00 H new ATOM 0 HD12 LEU A 8 54.859 47.282 32.399 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.738 45.626 31.758 1.00 0.00 H new ATOM 0 HD21 LEU A 8 57.656 45.289 31.119 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.321 44.839 30.033 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.617 45.911 29.452 1.00 0.00 H new ATOM 147 N THR A 9 55.723 50.580 29.194 1.00 0.00 N ATOM 148 CA THR A 9 56.464 51.823 29.270 1.00 0.00 C ATOM 149 C THR A 9 55.683 52.983 29.893 1.00 0.00 C ATOM 150 O THR A 9 56.287 53.994 30.241 1.00 0.00 O ATOM 151 CB THR A 9 57.014 52.219 27.904 1.00 0.00 C ATOM 152 OG1 THR A 9 55.991 52.295 26.936 1.00 0.00 O ATOM 153 CG2 THR A 9 58.013 51.191 27.379 1.00 0.00 C ATOM 0 H THR A 9 55.439 50.347 28.242 1.00 0.00 H new ATOM 0 HA THR A 9 57.293 51.623 29.949 1.00 0.00 H new ATOM 0 HB THR A 9 57.490 53.188 28.052 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.376 52.552 26.072 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.383 51.508 26.404 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.848 51.107 28.074 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.522 50.222 27.284 1.00 0.00 H new ATOM 161 N GLY A 10 54.377 52.843 30.103 1.00 0.00 N ATOM 162 CA GLY A 10 53.537 53.777 30.826 1.00 0.00 C ATOM 163 C GLY A 10 52.773 54.793 29.974 1.00 0.00 C ATOM 164 O GLY A 10 52.231 55.744 30.533 1.00 0.00 O ATOM 0 H GLY A 10 53.858 52.037 29.756 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.815 53.207 31.411 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.161 54.323 31.534 1.00 0.00 H new ATOM 168 N LYS A 11 52.712 54.622 28.657 1.00 0.00 N ATOM 169 CA LYS A 11 52.002 55.495 27.744 1.00 0.00 C ATOM 170 C LYS A 11 50.591 54.973 27.465 1.00 0.00 C ATOM 171 O LYS A 11 50.402 53.763 27.362 1.00 0.00 O ATOM 172 CB LYS A 11 52.826 55.668 26.472 1.00 0.00 C ATOM 173 CG LYS A 11 52.267 56.757 25.560 1.00 0.00 C ATOM 174 CD LYS A 11 53.212 57.142 24.425 1.00 0.00 C ATOM 175 CE LYS A 11 53.450 55.992 23.452 1.00 0.00 C ATOM 176 NZ LYS A 11 54.267 56.421 22.307 1.00 0.00 N ATOM 0 H LYS A 11 53.173 53.844 28.186 1.00 0.00 H new ATOM 0 HA LYS A 11 51.874 56.477 28.201 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.854 55.914 26.739 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.855 54.723 25.930 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.322 56.416 25.136 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.048 57.643 26.156 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.798 57.993 23.884 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.166 57.464 24.843 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.948 55.172 23.970 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.493 55.610 23.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.539 55.590 21.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.718 57.076 21.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 55.123 56.901 22.652 1.00 0.00 H new ATOM 190 N THR A 12 49.613 55.862 27.319 1.00 0.00 N ATOM 191 CA THR A 12 48.238 55.533 27.005 1.00 0.00 C ATOM 192 C THR A 12 47.898 55.864 25.551 1.00 0.00 C ATOM 193 O THR A 12 48.330 56.882 25.014 1.00 0.00 O ATOM 194 CB THR A 12 47.267 56.183 27.987 1.00 0.00 C ATOM 195 OG1 THR A 12 47.480 55.663 29.280 1.00 0.00 O ATOM 196 CG2 THR A 12 45.798 55.906 27.680 1.00 0.00 C ATOM 0 H THR A 12 49.768 56.865 27.421 1.00 0.00 H new ATOM 0 HA THR A 12 48.125 54.455 27.117 1.00 0.00 H new ATOM 0 HB THR A 12 47.459 57.253 27.907 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.856 56.083 29.908 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.172 56.401 28.422 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.556 56.287 26.688 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.616 54.832 27.711 1.00 0.00 H new ATOM 204 N ILE A 13 47.096 55.011 24.919 1.00 0.00 N ATOM 205 CA ILE A 13 46.574 55.114 23.571 1.00 0.00 C ATOM 206 C ILE A 13 45.053 54.955 23.617 1.00 0.00 C ATOM 207 O ILE A 13 44.545 54.073 24.306 1.00 0.00 O ATOM 208 CB ILE A 13 47.225 54.070 22.669 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.735 54.269 22.568 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.596 54.062 21.278 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.482 53.156 21.839 1.00 0.00 C ATOM 0 H ILE A 13 46.771 54.161 25.381 1.00 0.00 H new ATOM 0 HA ILE A 13 46.810 56.092 23.151 1.00 0.00 H new ATOM 0 HB ILE A 13 47.045 53.100 23.132 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.929 55.212 22.057 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.143 54.362 23.575 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.084 53.307 20.662 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.534 53.832 21.360 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.720 55.042 20.817 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.547 53.386 21.818 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.325 52.211 22.359 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.108 53.075 20.818 1.00 0.00 H new ATOM 223 N THR A 14 44.329 55.758 22.845 1.00 0.00 N ATOM 224 CA THR A 14 42.887 55.712 22.717 1.00 0.00 C ATOM 225 C THR A 14 42.492 55.243 21.315 1.00 0.00 C ATOM 226 O THR A 14 42.910 55.856 20.337 1.00 0.00 O ATOM 227 CB THR A 14 42.282 57.086 22.994 1.00 0.00 C ATOM 228 OG1 THR A 14 42.616 57.533 24.289 1.00 0.00 O ATOM 229 CG2 THR A 14 40.758 57.075 22.929 1.00 0.00 C ATOM 0 H THR A 14 44.753 56.486 22.270 1.00 0.00 H new ATOM 0 HA THR A 14 42.500 55.003 23.449 1.00 0.00 H new ATOM 0 HB THR A 14 42.688 57.741 22.223 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.219 58.416 24.443 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.378 58.076 23.133 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.438 56.761 21.935 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.367 56.380 23.672 1.00 0.00 H new ATOM 237 N LEU A 15 41.684 54.192 21.201 1.00 0.00 N ATOM 238 CA LEU A 15 41.255 53.638 19.933 1.00 0.00 C ATOM 239 C LEU A 15 39.784 53.218 19.920 1.00 0.00 C ATOM 240 O LEU A 15 39.140 53.131 20.963 1.00 0.00 O ATOM 241 CB LEU A 15 42.239 52.556 19.496 1.00 0.00 C ATOM 242 CG LEU A 15 42.411 51.338 20.399 1.00 0.00 C ATOM 243 CD1 LEU A 15 41.304 50.305 20.217 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.735 50.647 20.082 1.00 0.00 C ATOM 0 H LEU A 15 41.305 53.696 22.008 1.00 0.00 H new ATOM 0 HA LEU A 15 41.282 54.422 19.176 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.931 52.202 18.512 1.00 0.00 H new ATOM 0 HB3 LEU A 15 43.217 53.023 19.375 1.00 0.00 H new ATOM 0 HG LEU A 15 42.379 51.708 21.424 1.00 0.00 H new ATOM 0 HD11 LEU A 15 41.480 49.462 20.885 1.00 0.00 H new ATOM 0 HD12 LEU A 15 40.341 50.759 20.451 1.00 0.00 H new ATOM 0 HD13 LEU A 15 41.299 49.955 19.185 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.855 49.778 20.728 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.738 50.328 19.040 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.558 51.342 20.251 1.00 0.00 H new ATOM 256 N GLU A 16 39.243 52.985 18.727 1.00 0.00 N ATOM 257 CA GLU A 16 37.858 52.616 18.515 1.00 0.00 C ATOM 258 C GLU A 16 37.699 51.278 17.792 1.00 0.00 C ATOM 259 O GLU A 16 38.475 50.939 16.900 1.00 0.00 O ATOM 260 CB GLU A 16 37.104 53.736 17.804 1.00 0.00 C ATOM 261 CG GLU A 16 36.900 54.939 18.721 1.00 0.00 C ATOM 262 CD GLU A 16 36.242 56.123 18.010 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.669 57.272 18.252 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.237 55.950 17.288 1.00 0.00 O ATOM 0 H GLU A 16 39.777 53.051 17.860 1.00 0.00 H new ATOM 0 HA GLU A 16 37.413 52.475 19.500 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.657 54.043 16.916 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.136 53.367 17.465 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.283 54.643 19.570 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.864 55.252 19.122 1.00 0.00 H new ATOM 271 N VAL A 17 36.692 50.511 18.200 1.00 0.00 N ATOM 272 CA VAL A 17 36.361 49.177 17.741 1.00 0.00 C ATOM 273 C VAL A 17 34.853 48.932 17.811 1.00 0.00 C ATOM 274 O VAL A 17 34.137 49.635 18.520 1.00 0.00 O ATOM 275 CB VAL A 17 37.062 48.108 18.575 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.584 48.191 18.513 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.628 48.134 20.038 1.00 0.00 C ATOM 0 H VAL A 17 36.040 50.836 18.914 1.00 0.00 H new ATOM 0 HA VAL A 17 36.700 49.109 16.707 1.00 0.00 H new ATOM 0 HB VAL A 17 36.752 47.166 18.122 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.017 47.402 19.128 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.913 48.068 17.481 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.911 49.162 18.885 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.155 47.355 20.588 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.864 49.106 20.470 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.554 47.960 20.102 1.00 0.00 H new ATOM 287 N GLU A 18 34.368 47.880 17.157 1.00 0.00 N ATOM 288 CA GLU A 18 33.077 47.298 17.462 1.00 0.00 C ATOM 289 C GLU A 18 33.214 46.247 18.565 1.00 0.00 C ATOM 290 O GLU A 18 34.244 45.579 18.625 1.00 0.00 O ATOM 291 CB GLU A 18 32.457 46.690 16.208 1.00 0.00 C ATOM 292 CG GLU A 18 32.037 47.715 15.159 1.00 0.00 C ATOM 293 CD GLU A 18 30.820 48.530 15.602 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.702 47.972 15.648 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.953 49.734 15.912 1.00 0.00 O ATOM 0 H GLU A 18 34.865 47.411 16.400 1.00 0.00 H new ATOM 0 HA GLU A 18 32.415 48.086 17.821 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.172 46.000 15.760 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.585 46.102 16.495 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.870 48.389 14.958 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.809 47.203 14.224 1.00 0.00 H new ATOM 302 N PRO A 19 32.208 45.996 19.397 1.00 0.00 N ATOM 303 CA PRO A 19 32.271 45.037 20.482 1.00 0.00 C ATOM 304 C PRO A 19 32.580 43.589 20.098 1.00 0.00 C ATOM 305 O PRO A 19 32.855 42.778 20.980 1.00 0.00 O ATOM 306 CB PRO A 19 30.914 45.090 21.178 1.00 0.00 C ATOM 307 CG PRO A 19 30.388 46.482 20.844 1.00 0.00 C ATOM 308 CD PRO A 19 30.952 46.717 19.445 1.00 0.00 C ATOM 0 HA PRO A 19 33.114 45.326 21.109 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.246 44.311 20.811 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.010 44.946 22.254 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.299 46.518 20.854 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.739 47.230 21.555 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.264 46.355 18.681 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.104 47.780 19.259 1.00 0.00 H new ATOM 316 N SER A 20 32.502 43.269 18.809 1.00 0.00 N ATOM 317 CA SER A 20 32.715 41.975 18.193 1.00 0.00 C ATOM 318 C SER A 20 34.038 41.840 17.438 1.00 0.00 C ATOM 319 O SER A 20 34.322 40.770 16.903 1.00 0.00 O ATOM 320 CB SER A 20 31.539 41.703 17.259 1.00 0.00 C ATOM 321 OG SER A 20 31.424 42.719 16.289 1.00 0.00 O ATOM 0 H SER A 20 32.267 43.976 18.113 1.00 0.00 H new ATOM 0 HA SER A 20 32.777 41.238 18.994 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.674 40.739 16.768 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.617 41.640 17.837 1.00 0.00 H new ATOM 0 HG SER A 20 30.665 42.524 15.700 1.00 0.00 H new ATOM 327 N ASP A 21 34.843 42.896 17.361 1.00 0.00 N ATOM 328 CA ASP A 21 36.159 42.851 16.756 1.00 0.00 C ATOM 329 C ASP A 21 37.139 42.003 17.569 1.00 0.00 C ATOM 330 O ASP A 21 36.892 41.671 18.725 1.00 0.00 O ATOM 331 CB ASP A 21 36.695 44.264 16.549 1.00 0.00 C ATOM 332 CG ASP A 21 36.019 45.011 15.398 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.991 46.260 15.436 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.588 44.364 14.419 1.00 0.00 O ATOM 0 H ASP A 21 34.591 43.816 17.723 1.00 0.00 H new ATOM 0 HA ASP A 21 36.059 42.369 15.784 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.561 44.833 17.469 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.767 44.213 16.359 1.00 0.00 H new ATOM 339 N THR A 22 38.257 41.620 16.958 1.00 0.00 N ATOM 340 CA THR A 22 39.215 40.697 17.532 1.00 0.00 C ATOM 341 C THR A 22 40.429 41.366 18.180 1.00 0.00 C ATOM 342 O THR A 22 40.772 42.508 17.881 1.00 0.00 O ATOM 343 CB THR A 22 39.689 39.630 16.550 1.00 0.00 C ATOM 344 OG1 THR A 22 40.496 40.173 15.530 1.00 0.00 O ATOM 345 CG2 THR A 22 38.548 38.847 15.906 1.00 0.00 C ATOM 0 H THR A 22 38.522 41.953 16.031 1.00 0.00 H new ATOM 0 HA THR A 22 38.645 40.214 18.326 1.00 0.00 H new ATOM 0 HB THR A 22 40.276 38.940 17.156 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.116 41.026 15.232 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.957 38.106 15.220 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.969 38.344 16.681 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.901 39.532 15.357 1.00 0.00 H new ATOM 353 N ILE A 23 41.132 40.613 19.021 1.00 0.00 N ATOM 354 CA ILE A 23 42.342 41.054 19.687 1.00 0.00 C ATOM 355 C ILE A 23 43.427 41.453 18.685 1.00 0.00 C ATOM 356 O ILE A 23 44.130 42.436 18.913 1.00 0.00 O ATOM 357 CB ILE A 23 42.797 39.980 20.671 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.739 39.583 21.696 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.085 40.356 21.397 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.128 40.722 22.507 1.00 0.00 C ATOM 0 H ILE A 23 40.866 39.658 19.260 1.00 0.00 H new ATOM 0 HA ILE A 23 42.132 41.960 20.256 1.00 0.00 H new ATOM 0 HB ILE A 23 42.982 39.112 20.038 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.935 39.063 21.175 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.184 38.869 22.389 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.362 39.556 22.084 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.883 40.502 20.669 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.931 41.278 21.957 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.390 40.319 23.201 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.912 41.232 23.066 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.644 41.429 21.834 1.00 0.00 H new ATOM 372 N GLU A 24 43.549 40.794 17.536 1.00 0.00 N ATOM 373 CA GLU A 24 44.476 41.230 16.510 1.00 0.00 C ATOM 374 C GLU A 24 44.081 42.551 15.847 1.00 0.00 C ATOM 375 O GLU A 24 44.976 43.322 15.506 1.00 0.00 O ATOM 376 CB GLU A 24 44.741 40.132 15.486 1.00 0.00 C ATOM 377 CG GLU A 24 45.936 40.491 14.607 1.00 0.00 C ATOM 378 CD GLU A 24 46.367 39.338 13.698 1.00 0.00 C ATOM 379 OE1 GLU A 24 47.461 38.774 13.914 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.627 39.003 12.748 1.00 0.00 O ATOM 0 H GLU A 24 43.016 39.958 17.297 1.00 0.00 H new ATOM 0 HA GLU A 24 45.415 41.434 17.025 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.930 39.188 15.998 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.857 39.986 14.865 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.684 41.357 13.994 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.774 40.782 15.241 1.00 0.00 H new ATOM 387 N ASN A 25 42.799 42.886 15.731 1.00 0.00 N ATOM 388 CA ASN A 25 42.394 44.184 15.232 1.00 0.00 C ATOM 389 C ASN A 25 42.871 45.313 16.149 1.00 0.00 C ATOM 390 O ASN A 25 43.321 46.355 15.677 1.00 0.00 O ATOM 391 CB ASN A 25 40.885 44.262 15.016 1.00 0.00 C ATOM 392 CG ASN A 25 40.326 43.210 14.055 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.442 42.431 14.402 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.814 43.159 12.819 1.00 0.00 N ATOM 0 H ASN A 25 42.025 42.270 15.978 1.00 0.00 H new ATOM 0 HA ASN A 25 42.874 44.314 14.262 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.387 44.157 15.980 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.636 45.252 14.635 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.454 42.472 12.157 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.548 43.807 12.533 1.00 0.00 H new ATOM 401 N VAL A 26 42.874 45.090 17.460 1.00 0.00 N ATOM 402 CA VAL A 26 43.440 46.016 18.420 1.00 0.00 C ATOM 403 C VAL A 26 44.952 46.137 18.224 1.00 0.00 C ATOM 404 O VAL A 26 45.467 47.248 18.115 1.00 0.00 O ATOM 405 CB VAL A 26 43.100 45.629 19.856 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.570 46.703 20.833 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.602 45.441 20.077 1.00 0.00 C ATOM 0 H VAL A 26 42.478 44.251 17.884 1.00 0.00 H new ATOM 0 HA VAL A 26 42.990 46.992 18.239 1.00 0.00 H new ATOM 0 HB VAL A 26 43.611 44.683 20.033 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.317 46.405 21.850 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.650 46.824 20.749 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.079 47.648 20.599 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.419 45.167 21.116 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.081 46.371 19.850 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.234 44.651 19.423 1.00 0.00 H new ATOM 417 N LYS A 27 45.669 45.025 18.081 1.00 0.00 N ATOM 418 CA LYS A 27 47.094 45.008 17.820 1.00 0.00 C ATOM 419 C LYS A 27 47.473 45.720 16.520 1.00 0.00 C ATOM 420 O LYS A 27 48.489 46.409 16.473 1.00 0.00 O ATOM 421 CB LYS A 27 47.606 43.569 17.821 1.00 0.00 C ATOM 422 CG LYS A 27 47.545 42.931 19.205 1.00 0.00 C ATOM 423 CD LYS A 27 47.825 41.431 19.243 1.00 0.00 C ATOM 424 CE LYS A 27 49.028 41.030 18.394 1.00 0.00 C ATOM 425 NZ LYS A 27 49.621 39.751 18.815 1.00 0.00 N ATOM 0 H LYS A 27 45.260 44.093 18.146 1.00 0.00 H new ATOM 0 HA LYS A 27 47.575 45.566 18.623 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.015 42.975 17.124 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.635 43.552 17.461 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.263 43.435 19.852 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.556 43.110 19.627 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.997 41.125 20.275 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.944 40.893 18.893 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.723 40.958 17.350 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.785 41.813 18.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.656 39.805 18.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.360 39.556 19.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.266 38.987 18.206 1.00 0.00 H new ATOM 439 N ALA A 28 46.646 45.617 15.483 1.00 0.00 N ATOM 440 CA ALA A 28 46.819 46.317 14.226 1.00 0.00 C ATOM 441 C ALA A 28 46.560 47.821 14.340 1.00 0.00 C ATOM 442 O ALA A 28 47.270 48.604 13.714 1.00 0.00 O ATOM 443 CB ALA A 28 45.917 45.657 13.189 1.00 0.00 C ATOM 0 H ALA A 28 45.815 45.026 15.501 1.00 0.00 H new ATOM 0 HA ALA A 28 47.861 46.238 13.916 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.029 46.167 12.232 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.197 44.610 13.077 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.879 45.722 13.515 1.00 0.00 H new ATOM 449 N LYS A 29 45.624 48.255 15.181 1.00 0.00 N ATOM 450 CA LYS A 29 45.389 49.656 15.463 1.00 0.00 C ATOM 451 C LYS A 29 46.469 50.278 16.351 1.00 0.00 C ATOM 452 O LYS A 29 46.773 51.458 16.189 1.00 0.00 O ATOM 453 CB LYS A 29 43.977 49.835 16.014 1.00 0.00 C ATOM 454 CG LYS A 29 42.958 49.697 14.886 1.00 0.00 C ATOM 455 CD LYS A 29 41.509 49.798 15.353 1.00 0.00 C ATOM 456 CE LYS A 29 40.619 49.859 14.115 1.00 0.00 C ATOM 457 NZ LYS A 29 39.190 49.894 14.464 1.00 0.00 N ATOM 0 H LYS A 29 45.001 47.628 15.690 1.00 0.00 H new ATOM 0 HA LYS A 29 45.461 50.212 14.528 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.781 49.091 16.786 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.882 50.814 16.484 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.146 50.471 14.142 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.105 48.737 14.391 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.246 48.938 15.969 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.368 50.687 15.968 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.871 50.744 13.531 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.817 48.993 13.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.667 50.420 13.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.822 48.923 14.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.069 50.364 15.384 1.00 0.00 H new ATOM 471 N ILE A 30 47.115 49.484 17.201 1.00 0.00 N ATOM 472 CA ILE A 30 48.336 49.844 17.893 1.00 0.00 C ATOM 473 C ILE A 30 49.491 49.993 16.902 1.00 0.00 C ATOM 474 O ILE A 30 50.210 50.988 16.968 1.00 0.00 O ATOM 475 CB ILE A 30 48.645 48.846 19.006 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.600 48.916 20.116 1.00 0.00 C ATOM 477 CG2 ILE A 30 50.035 49.069 19.596 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.621 47.708 21.048 1.00 0.00 C ATOM 0 H ILE A 30 46.788 48.545 17.430 1.00 0.00 H new ATOM 0 HA ILE A 30 48.197 50.814 18.371 1.00 0.00 H new ATOM 0 HB ILE A 30 48.617 47.854 18.555 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.764 49.820 20.702 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.610 49.002 19.668 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.217 48.339 20.385 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.785 48.953 18.814 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.097 50.075 20.011 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.853 47.825 21.812 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.427 46.802 20.474 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.598 47.633 21.524 1.00 0.00 H new ATOM 490 N GLN A 31 49.657 49.078 15.952 1.00 0.00 N ATOM 491 CA GLN A 31 50.650 49.195 14.903 1.00 0.00 C ATOM 492 C GLN A 31 50.467 50.472 14.080 1.00 0.00 C ATOM 493 O GLN A 31 51.444 51.179 13.840 1.00 0.00 O ATOM 494 CB GLN A 31 50.638 47.953 14.018 1.00 0.00 C ATOM 495 CG GLN A 31 51.639 48.026 12.870 1.00 0.00 C ATOM 496 CD GLN A 31 51.674 46.769 11.997 1.00 0.00 C ATOM 497 OE1 GLN A 31 52.700 46.105 11.866 1.00 0.00 O ATOM 498 NE2 GLN A 31 50.565 46.387 11.371 1.00 0.00 N ATOM 0 H GLN A 31 49.097 48.227 15.893 1.00 0.00 H new ATOM 0 HA GLN A 31 51.628 49.268 15.378 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.858 47.077 14.629 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.637 47.814 13.611 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.397 48.885 12.244 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.634 48.200 13.279 1.00 0.00 H new ATOM 0 HE21 GLN A 31 49.708 46.931 11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 31 50.571 45.550 10.788 1.00 0.00 H new ATOM 507 N ASP A 32 49.239 50.816 13.704 1.00 0.00 N ATOM 508 CA ASP A 32 48.948 52.044 12.991 1.00 0.00 C ATOM 509 C ASP A 32 49.462 53.290 13.713 1.00 0.00 C ATOM 510 O ASP A 32 49.977 54.190 13.052 1.00 0.00 O ATOM 511 CB ASP A 32 47.446 52.127 12.735 1.00 0.00 C ATOM 512 CG ASP A 32 47.023 53.487 12.175 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.473 53.857 11.069 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.272 54.208 12.867 1.00 0.00 O ATOM 0 H ASP A 32 48.416 50.243 13.889 1.00 0.00 H new ATOM 0 HA ASP A 32 49.482 52.018 12.041 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.156 51.343 12.035 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.911 51.938 13.666 1.00 0.00 H new ATOM 519 N LYS A 33 49.387 53.345 15.040 1.00 0.00 N ATOM 520 CA LYS A 33 49.872 54.464 15.825 1.00 0.00 C ATOM 521 C LYS A 33 51.363 54.420 16.162 1.00 0.00 C ATOM 522 O LYS A 33 52.027 55.436 15.970 1.00 0.00 O ATOM 523 CB LYS A 33 49.006 54.652 17.067 1.00 0.00 C ATOM 524 CG LYS A 33 47.759 55.443 16.687 1.00 0.00 C ATOM 525 CD LYS A 33 46.852 55.727 17.881 1.00 0.00 C ATOM 526 CE LYS A 33 45.805 56.744 17.435 1.00 0.00 C ATOM 527 NZ LYS A 33 44.739 56.917 18.433 1.00 0.00 N ATOM 0 H LYS A 33 48.980 52.599 15.604 1.00 0.00 H new ATOM 0 HA LYS A 33 49.777 55.342 15.186 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.726 53.683 17.481 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.565 55.179 17.840 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.058 56.387 16.231 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.198 54.889 15.934 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.373 54.810 18.224 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.432 56.116 18.718 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.288 57.704 17.252 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.367 56.422 16.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.919 57.378 17.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.455 55.987 18.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.087 57.509 19.214 1.00 0.00 H new ATOM 541 N GLU A 34 51.894 53.300 16.645 1.00 0.00 N ATOM 542 CA GLU A 34 53.234 53.204 17.188 1.00 0.00 C ATOM 543 C GLU A 34 54.261 52.567 16.250 1.00 0.00 C ATOM 544 O GLU A 34 55.461 52.680 16.490 1.00 0.00 O ATOM 545 CB GLU A 34 53.197 52.419 18.495 1.00 0.00 C ATOM 546 CG GLU A 34 52.447 53.099 19.636 1.00 0.00 C ATOM 547 CD GLU A 34 53.143 54.366 20.138 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.341 54.322 20.492 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.494 55.430 20.231 1.00 0.00 O ATOM 0 H GLU A 34 51.387 52.415 16.667 1.00 0.00 H new ATOM 0 HA GLU A 34 53.564 54.231 17.343 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.737 51.449 18.306 1.00 0.00 H new ATOM 0 HB3 GLU A 34 54.221 52.229 18.816 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.441 53.352 19.302 1.00 0.00 H new ATOM 0 HG3 GLU A 34 52.341 52.397 20.463 1.00 0.00 H new ATOM 556 N GLY A 35 53.836 51.885 15.191 1.00 0.00 N ATOM 557 CA GLY A 35 54.697 51.140 14.295 1.00 0.00 C ATOM 558 C GLY A 35 55.171 49.787 14.829 1.00 0.00 C ATOM 559 O GLY A 35 55.992 49.137 14.185 1.00 0.00 O ATOM 0 H GLY A 35 52.851 51.838 14.929 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.166 50.978 13.357 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.571 51.749 14.065 1.00 0.00 H new ATOM 563 N ILE A 36 54.661 49.339 15.973 1.00 0.00 N ATOM 564 CA ILE A 36 55.078 48.122 16.639 1.00 0.00 C ATOM 565 C ILE A 36 54.361 46.927 16.006 1.00 0.00 C ATOM 566 O ILE A 36 53.133 46.905 16.026 1.00 0.00 O ATOM 567 CB ILE A 36 54.809 48.210 18.139 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.564 49.371 18.781 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.186 46.907 18.838 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.067 49.732 20.178 1.00 0.00 C ATOM 0 H ILE A 36 53.922 49.834 16.473 1.00 0.00 H new ATOM 0 HA ILE A 36 56.152 47.987 16.513 1.00 0.00 H new ATOM 0 HB ILE A 36 53.740 48.386 18.260 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.623 49.117 18.837 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.479 50.247 18.138 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.985 46.995 19.906 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.597 46.089 18.424 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.246 46.705 18.684 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.652 50.565 20.568 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.016 50.018 20.128 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.177 48.871 20.837 1.00 0.00 H new ATOM 582 N PRO A 37 55.052 45.923 15.475 1.00 0.00 N ATOM 583 CA PRO A 37 54.421 44.843 14.742 1.00 0.00 C ATOM 584 C PRO A 37 53.588 43.928 15.642 1.00 0.00 C ATOM 585 O PRO A 37 54.064 43.551 16.710 1.00 0.00 O ATOM 586 CB PRO A 37 55.556 44.096 14.049 1.00 0.00 C ATOM 587 CG PRO A 37 56.755 44.353 14.959 1.00 0.00 C ATOM 588 CD PRO A 37 56.493 45.775 15.446 1.00 0.00 C ATOM 0 HA PRO A 37 53.703 45.231 14.019 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.341 43.031 13.959 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.729 44.473 13.041 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.799 43.642 15.784 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.699 44.275 14.420 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.923 45.935 16.435 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.948 46.507 14.779 1.00 0.00 H new ATOM 596 N PRO A 38 52.391 43.512 15.238 1.00 0.00 N ATOM 597 CA PRO A 38 51.550 42.596 15.982 1.00 0.00 C ATOM 598 C PRO A 38 52.217 41.292 16.423 1.00 0.00 C ATOM 599 O PRO A 38 51.911 40.797 17.505 1.00 0.00 O ATOM 600 CB PRO A 38 50.348 42.321 15.083 1.00 0.00 C ATOM 601 CG PRO A 38 50.185 43.640 14.330 1.00 0.00 C ATOM 602 CD PRO A 38 51.634 44.078 14.140 1.00 0.00 C ATOM 0 HA PRO A 38 51.284 43.063 16.930 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.531 41.487 14.405 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.458 42.072 15.661 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.671 43.506 13.378 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.610 44.368 14.902 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.021 43.728 13.183 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.712 45.165 14.137 1.00 0.00 H new ATOM 610 N ASP A 39 53.176 40.769 15.664 1.00 0.00 N ATOM 611 CA ASP A 39 53.929 39.585 16.024 1.00 0.00 C ATOM 612 C ASP A 39 54.793 39.738 17.279 1.00 0.00 C ATOM 613 O ASP A 39 55.271 38.743 17.819 1.00 0.00 O ATOM 614 CB ASP A 39 54.808 39.157 14.853 1.00 0.00 C ATOM 615 CG ASP A 39 53.983 38.615 13.685 1.00 0.00 C ATOM 616 OD1 ASP A 39 54.156 39.118 12.553 1.00 0.00 O ATOM 617 OD2 ASP A 39 53.181 37.680 13.891 1.00 0.00 O ATOM 0 H ASP A 39 53.452 41.168 14.767 1.00 0.00 H new ATOM 0 HA ASP A 39 53.186 38.823 16.259 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.400 40.007 14.515 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.510 38.392 15.187 1.00 0.00 H new ATOM 622 N GLN A 40 54.992 40.963 17.758 1.00 0.00 N ATOM 623 CA GLN A 40 55.768 41.291 18.937 1.00 0.00 C ATOM 624 C GLN A 40 54.920 41.925 20.042 1.00 0.00 C ATOM 625 O GLN A 40 55.482 42.538 20.947 1.00 0.00 O ATOM 626 CB GLN A 40 56.968 42.142 18.530 1.00 0.00 C ATOM 627 CG GLN A 40 57.855 41.459 17.493 1.00 0.00 C ATOM 628 CD GLN A 40 59.161 42.224 17.271 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.377 42.921 16.282 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.100 42.132 18.209 1.00 0.00 N ATOM 0 H GLN A 40 54.595 41.789 17.309 1.00 0.00 H new ATOM 0 HA GLN A 40 56.143 40.369 19.380 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.614 43.092 18.129 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.562 42.371 19.415 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.079 40.443 17.819 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.316 41.379 16.549 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.939 41.558 19.037 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.981 42.635 18.100 1.00 0.00 H new ATOM 639 N GLN A 41 53.599 41.779 20.001 1.00 0.00 N ATOM 640 CA GLN A 41 52.650 42.290 20.970 1.00 0.00 C ATOM 641 C GLN A 41 51.837 41.171 21.623 1.00 0.00 C ATOM 642 O GLN A 41 51.340 40.296 20.918 1.00 0.00 O ATOM 643 CB GLN A 41 51.663 43.227 20.282 1.00 0.00 C ATOM 644 CG GLN A 41 52.180 44.522 19.661 1.00 0.00 C ATOM 645 CD GLN A 41 51.024 45.309 19.039 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.938 45.410 19.604 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.146 45.874 17.842 1.00 0.00 N ATOM 0 H GLN A 41 53.141 41.271 19.244 1.00 0.00 H new ATOM 0 HA GLN A 41 53.228 42.808 21.735 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.166 42.660 19.495 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.900 43.495 21.013 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.673 45.127 20.422 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.927 44.296 18.900 1.00 0.00 H new ATOM 0 HE21 GLN A 41 52.031 45.814 17.338 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.355 46.367 17.428 1.00 0.00 H new ATOM 656 N ARG A 42 51.585 41.238 22.927 1.00 0.00 N ATOM 657 CA ARG A 42 50.563 40.473 23.615 1.00 0.00 C ATOM 658 C ARG A 42 49.711 41.400 24.485 1.00 0.00 C ATOM 659 O ARG A 42 50.254 42.117 25.322 1.00 0.00 O ATOM 660 CB ARG A 42 51.223 39.352 24.412 1.00 0.00 C ATOM 661 CG ARG A 42 50.320 38.492 25.292 1.00 0.00 C ATOM 662 CD ARG A 42 49.117 37.849 24.605 1.00 0.00 C ATOM 663 NE ARG A 42 49.455 36.915 23.530 1.00 0.00 N ATOM 664 CZ ARG A 42 49.468 35.577 23.597 1.00 0.00 C ATOM 665 NH1 ARG A 42 49.446 34.895 24.752 1.00 0.00 N ATOM 666 NH2 ARG A 42 49.485 34.866 22.461 1.00 0.00 N ATOM 0 H ARG A 42 52.109 41.851 23.552 1.00 0.00 H new ATOM 0 HA ARG A 42 49.887 40.009 22.897 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.734 38.694 23.709 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.989 39.796 25.048 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.926 37.700 25.733 1.00 0.00 H new ATOM 0 HG3 ARG A 42 49.955 39.109 26.113 1.00 0.00 H new ATOM 0 HD2 ARG A 42 48.527 37.321 25.354 1.00 0.00 H new ATOM 0 HD3 ARG A 42 48.484 38.637 24.198 1.00 0.00 H new ATOM 0 HE ARG A 42 49.708 37.328 22.632 1.00 0.00 H new ATOM 0 HH11 ARG A 42 49.418 35.396 25.640 1.00 0.00 H new ATOM 0 HH12 ARG A 42 49.457 33.875 24.742 1.00 0.00 H new ATOM 0 HH21 ARG A 42 49.488 35.344 21.560 1.00 0.00 H new ATOM 0 HH22 ARG A 42 49.495 33.847 22.497 1.00 0.00 H new ATOM 680 N LEU A 43 48.396 41.387 24.284 1.00 0.00 N ATOM 681 CA LEU A 43 47.461 42.189 25.046 1.00 0.00 C ATOM 682 C LEU A 43 46.956 41.472 26.300 1.00 0.00 C ATOM 683 O LEU A 43 46.888 40.246 26.345 1.00 0.00 O ATOM 684 CB LEU A 43 46.319 42.663 24.150 1.00 0.00 C ATOM 685 CG LEU A 43 46.700 43.799 23.205 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.584 44.031 22.191 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.916 45.120 23.937 1.00 0.00 C ATOM 0 H LEU A 43 47.949 40.807 23.574 1.00 0.00 H new ATOM 0 HA LEU A 43 47.995 43.068 25.408 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.960 41.819 23.561 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.490 42.989 24.778 1.00 0.00 H new ATOM 0 HG LEU A 43 47.630 43.496 22.724 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.865 44.843 21.521 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.424 43.122 21.612 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.665 44.294 22.715 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.185 45.894 23.219 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.998 45.405 24.451 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.719 45.006 24.665 1.00 0.00 H new ATOM 699 N ILE A 44 46.602 42.266 27.308 1.00 0.00 N ATOM 700 CA ILE A 44 46.206 41.888 28.649 1.00 0.00 C ATOM 701 C ILE A 44 44.915 42.607 29.044 1.00 0.00 C ATOM 702 O ILE A 44 44.743 43.782 28.727 1.00 0.00 O ATOM 703 CB ILE A 44 47.297 42.233 29.659 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.755 42.076 29.234 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.063 41.514 30.984 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.236 40.654 28.969 1.00 0.00 C ATOM 0 H ILE A 44 46.586 43.279 27.189 1.00 0.00 H new ATOM 0 HA ILE A 44 46.044 40.810 28.656 1.00 0.00 H new ATOM 0 HB ILE A 44 47.180 43.312 29.756 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.912 42.664 28.329 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.385 42.511 30.010 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.855 41.777 31.686 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.099 41.814 31.395 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.068 40.437 30.819 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.285 40.674 28.675 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.124 40.057 29.874 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.643 40.213 28.168 1.00 0.00 H new ATOM 718 N PHE A 45 44.039 41.956 29.803 1.00 0.00 N ATOM 719 CA PHE A 45 42.980 42.610 30.547 1.00 0.00 C ATOM 720 C PHE A 45 42.842 42.035 31.958 1.00 0.00 C ATOM 721 O PHE A 45 42.718 40.823 32.125 1.00 0.00 O ATOM 722 CB PHE A 45 41.663 42.519 29.783 1.00 0.00 C ATOM 723 CG PHE A 45 40.510 43.251 30.425 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.548 44.646 30.549 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.383 42.550 30.873 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.466 45.333 31.114 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.296 43.237 31.425 1.00 0.00 C ATOM 728 CZ PHE A 45 38.334 44.631 31.543 1.00 0.00 C ATOM 0 H PHE A 45 44.049 40.942 29.917 1.00 0.00 H new ATOM 0 HA PHE A 45 43.245 43.662 30.656 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.813 42.915 28.779 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.393 41.468 29.674 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.414 45.193 30.208 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.353 41.473 30.792 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.505 46.407 31.219 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.427 42.691 31.760 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.493 45.163 31.963 1.00 0.00 H new ATOM 738 N ALA A 46 42.870 42.901 32.966 1.00 0.00 N ATOM 739 CA ALA A 46 42.835 42.562 34.375 1.00 0.00 C ATOM 740 C ALA A 46 43.734 41.386 34.757 1.00 0.00 C ATOM 741 O ALA A 46 43.318 40.470 35.464 1.00 0.00 O ATOM 742 CB ALA A 46 41.382 42.440 34.825 1.00 0.00 C ATOM 0 H ALA A 46 42.920 43.908 32.809 1.00 0.00 H new ATOM 0 HA ALA A 46 43.285 43.377 34.941 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.349 42.185 35.884 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.870 43.389 34.664 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.887 41.659 34.248 1.00 0.00 H new ATOM 748 N GLY A 47 44.962 41.377 34.247 1.00 0.00 N ATOM 749 CA GLY A 47 45.965 40.357 34.476 1.00 0.00 C ATOM 750 C GLY A 47 45.939 39.118 33.577 1.00 0.00 C ATOM 751 O GLY A 47 46.910 38.367 33.597 1.00 0.00 O ATOM 0 H GLY A 47 45.295 42.120 33.633 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.945 40.823 34.377 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.874 40.023 35.510 1.00 0.00 H new ATOM 755 N LYS A 48 44.914 38.896 32.758 1.00 0.00 N ATOM 756 CA LYS A 48 44.775 37.769 31.859 1.00 0.00 C ATOM 757 C LYS A 48 45.246 38.123 30.447 1.00 0.00 C ATOM 758 O LYS A 48 44.803 39.125 29.887 1.00 0.00 O ATOM 759 CB LYS A 48 43.325 37.295 31.901 1.00 0.00 C ATOM 760 CG LYS A 48 42.842 36.296 30.853 1.00 0.00 C ATOM 761 CD LYS A 48 43.602 34.982 30.701 1.00 0.00 C ATOM 762 CE LYS A 48 43.857 34.261 32.021 1.00 0.00 C ATOM 763 NZ LYS A 48 44.585 33.002 31.800 1.00 0.00 N ATOM 0 H LYS A 48 44.120 39.535 32.706 1.00 0.00 H new ATOM 0 HA LYS A 48 45.416 36.949 32.181 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.152 36.852 32.882 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.688 38.177 31.833 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.803 36.055 31.078 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.851 36.799 29.886 1.00 0.00 H new ATOM 0 HD2 LYS A 48 43.040 34.322 30.040 1.00 0.00 H new ATOM 0 HD3 LYS A 48 44.558 35.180 30.216 1.00 0.00 H new ATOM 0 HE2 LYS A 48 44.431 34.905 32.687 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.908 34.055 32.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 44.747 32.530 32.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 44.024 32.380 31.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 45.500 33.205 31.348 1.00 0.00 H new ATOM 777 N GLN A 49 46.118 37.304 29.866 1.00 0.00 N ATOM 778 CA GLN A 49 46.551 37.411 28.488 1.00 0.00 C ATOM 779 C GLN A 49 45.406 37.132 27.513 1.00 0.00 C ATOM 780 O GLN A 49 44.592 36.240 27.746 1.00 0.00 O ATOM 781 CB GLN A 49 47.718 36.467 28.215 1.00 0.00 C ATOM 782 CG GLN A 49 49.028 36.921 28.853 1.00 0.00 C ATOM 783 CD GLN A 49 50.282 36.222 28.325 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.256 35.411 27.401 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.451 36.569 28.855 1.00 0.00 N ATOM 0 H GLN A 49 46.552 36.526 30.362 1.00 0.00 H new ATOM 0 HA GLN A 49 46.882 38.437 28.330 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.467 35.474 28.587 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.859 36.378 27.138 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.137 37.995 28.699 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.966 36.758 29.929 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.484 37.241 29.622 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.315 36.163 28.495 1.00 0.00 H new ATOM 794 N LEU A 50 45.365 37.864 26.403 1.00 0.00 N ATOM 795 CA LEU A 50 44.318 37.822 25.402 1.00 0.00 C ATOM 796 C LEU A 50 44.806 37.228 24.079 1.00 0.00 C ATOM 797 O LEU A 50 45.916 37.507 23.633 1.00 0.00 O ATOM 798 CB LEU A 50 43.739 39.221 25.199 1.00 0.00 C ATOM 799 CG LEU A 50 43.302 39.964 26.457 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.738 41.327 26.068 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.238 39.220 27.259 1.00 0.00 C ATOM 0 H LEU A 50 46.099 38.533 26.172 1.00 0.00 H new ATOM 0 HA LEU A 50 43.531 37.161 25.766 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.485 39.828 24.686 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.879 39.142 24.533 1.00 0.00 H new ATOM 0 HG LEU A 50 44.187 40.056 27.086 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.425 41.861 26.965 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.505 41.904 25.552 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.881 41.191 25.409 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.972 39.804 28.140 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.352 39.073 26.641 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.628 38.251 27.570 1.00 0.00 H new ATOM 813 N GLU A 51 43.958 36.432 23.436 1.00 0.00 N ATOM 814 CA GLU A 51 44.283 35.620 22.280 1.00 0.00 C ATOM 815 C GLU A 51 43.838 36.268 20.968 1.00 0.00 C ATOM 816 O GLU A 51 42.663 36.577 20.778 1.00 0.00 O ATOM 817 CB GLU A 51 43.695 34.222 22.445 1.00 0.00 C ATOM 818 CG GLU A 51 44.271 33.483 23.650 1.00 0.00 C ATOM 819 CD GLU A 51 43.833 32.018 23.691 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.674 31.716 24.046 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.688 31.143 23.432 1.00 0.00 O ATOM 0 H GLU A 51 42.984 36.335 23.723 1.00 0.00 H new ATOM 0 HA GLU A 51 45.368 35.539 22.222 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.613 34.297 22.552 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.886 33.642 21.542 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.359 33.535 23.620 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.954 33.981 24.566 1.00 0.00 H new ATOM 828 N ASP A 52 44.773 36.418 20.035 1.00 0.00 N ATOM 829 CA ASP A 52 44.667 37.179 18.806 1.00 0.00 C ATOM 830 C ASP A 52 43.436 36.873 17.950 1.00 0.00 C ATOM 831 O ASP A 52 42.882 37.769 17.317 1.00 0.00 O ATOM 832 CB ASP A 52 45.914 36.912 17.969 1.00 0.00 C ATOM 833 CG ASP A 52 47.179 37.627 18.448 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.304 38.061 19.614 1.00 0.00 O ATOM 835 OD2 ASP A 52 48.123 37.754 17.639 1.00 0.00 O ATOM 0 H ASP A 52 45.688 35.977 20.130 1.00 0.00 H new ATOM 0 HA ASP A 52 44.567 38.222 19.107 1.00 0.00 H new ATOM 0 HB2 ASP A 52 46.103 35.839 17.958 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.713 37.210 16.940 1.00 0.00 H new ATOM 840 N GLY A 53 43.008 35.615 17.925 1.00 0.00 N ATOM 841 CA GLY A 53 41.899 35.122 17.132 1.00 0.00 C ATOM 842 C GLY A 53 40.512 35.245 17.768 1.00 0.00 C ATOM 843 O GLY A 53 39.531 34.933 17.096 1.00 0.00 O ATOM 0 H GLY A 53 43.447 34.883 18.483 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.890 35.658 16.183 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.080 34.072 16.903 1.00 0.00 H new ATOM 847 N ARG A 54 40.409 35.649 19.031 1.00 0.00 N ATOM 848 CA ARG A 54 39.156 35.758 19.751 1.00 0.00 C ATOM 849 C ARG A 54 38.549 37.160 19.664 1.00 0.00 C ATOM 850 O ARG A 54 39.261 38.137 19.444 1.00 0.00 O ATOM 851 CB ARG A 54 39.302 35.295 21.198 1.00 0.00 C ATOM 852 CG ARG A 54 39.775 33.849 21.314 1.00 0.00 C ATOM 853 CD ARG A 54 39.553 33.293 22.718 1.00 0.00 C ATOM 854 NE ARG A 54 38.196 32.770 22.881 1.00 0.00 N ATOM 855 CZ ARG A 54 37.682 32.176 23.967 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.347 32.034 25.122 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.443 31.669 23.935 1.00 0.00 N ATOM 0 H ARG A 54 41.219 35.915 19.591 1.00 0.00 H new ATOM 0 HA ARG A 54 38.452 35.087 19.259 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.009 35.946 21.713 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.344 35.400 21.706 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.242 33.233 20.590 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.834 33.791 21.063 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.275 32.501 22.915 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.732 34.077 23.453 1.00 0.00 H new ATOM 0 HE ARG A 54 37.573 32.868 22.080 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.300 32.388 25.209 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.900 31.572 25.914 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.887 31.734 23.082 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.055 31.218 24.763 1.00 0.00 H new ATOM 871 N THR A 55 37.236 37.256 19.851 1.00 0.00 N ATOM 872 CA THR A 55 36.516 38.513 19.861 1.00 0.00 C ATOM 873 C THR A 55 36.581 39.198 21.228 1.00 0.00 C ATOM 874 O THR A 55 36.693 38.538 22.258 1.00 0.00 O ATOM 875 CB THR A 55 35.061 38.379 19.423 1.00 0.00 C ATOM 876 OG1 THR A 55 34.296 37.692 20.388 1.00 0.00 O ATOM 877 CG2 THR A 55 34.892 37.638 18.099 1.00 0.00 C ATOM 0 H THR A 55 36.637 36.444 20.002 1.00 0.00 H new ATOM 0 HA THR A 55 37.025 39.136 19.126 1.00 0.00 H new ATOM 0 HB THR A 55 34.712 39.405 19.302 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.412 36.726 20.270 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.833 37.579 17.848 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.422 38.174 17.312 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.300 36.631 18.191 1.00 0.00 H new ATOM 885 N LEU A 56 36.432 40.519 21.265 1.00 0.00 N ATOM 886 CA LEU A 56 36.248 41.255 22.499 1.00 0.00 C ATOM 887 C LEU A 56 35.018 40.770 23.269 1.00 0.00 C ATOM 888 O LEU A 56 35.052 40.729 24.497 1.00 0.00 O ATOM 889 CB LEU A 56 36.175 42.748 22.191 1.00 0.00 C ATOM 890 CG LEU A 56 37.507 43.355 21.761 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.272 44.740 21.164 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.483 43.508 22.923 1.00 0.00 C ATOM 0 H LEU A 56 36.436 41.107 20.431 1.00 0.00 H new ATOM 0 HA LEU A 56 37.104 41.074 23.149 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.441 42.911 21.402 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.815 43.274 23.075 1.00 0.00 H new ATOM 0 HG LEU A 56 37.940 42.672 21.030 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.225 45.171 20.858 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.617 44.656 20.297 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.806 45.384 21.910 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.414 43.944 22.561 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.047 44.159 23.681 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.686 42.530 23.359 1.00 0.00 H new ATOM 904 N SER A 57 33.972 40.311 22.587 1.00 0.00 N ATOM 905 CA SER A 57 32.820 39.664 23.181 1.00 0.00 C ATOM 906 C SER A 57 33.082 38.290 23.802 1.00 0.00 C ATOM 907 O SER A 57 32.392 37.949 24.760 1.00 0.00 O ATOM 908 CB SER A 57 31.658 39.598 22.193 1.00 0.00 C ATOM 909 OG SER A 57 32.045 39.308 20.868 1.00 0.00 O ATOM 0 H SER A 57 33.907 40.385 21.572 1.00 0.00 H new ATOM 0 HA SER A 57 32.555 40.303 24.023 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.952 38.838 22.529 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.130 40.551 22.206 1.00 0.00 H new ATOM 0 HG SER A 57 32.833 38.726 20.877 1.00 0.00 H new ATOM 915 N ASP A 58 34.100 37.541 23.387 1.00 0.00 N ATOM 916 CA ASP A 58 34.505 36.319 24.054 1.00 0.00 C ATOM 917 C ASP A 58 35.118 36.585 25.430 1.00 0.00 C ATOM 918 O ASP A 58 35.011 35.744 26.320 1.00 0.00 O ATOM 919 CB ASP A 58 35.458 35.507 23.181 1.00 0.00 C ATOM 920 CG ASP A 58 34.813 34.988 21.894 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.811 34.246 21.974 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.334 35.278 20.795 1.00 0.00 O ATOM 0 H ASP A 58 34.668 37.772 22.572 1.00 0.00 H new ATOM 0 HA ASP A 58 33.601 35.731 24.215 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.318 36.125 22.924 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.834 34.661 23.756 1.00 0.00 H new ATOM 927 N TYR A 59 35.661 37.779 25.647 1.00 0.00 N ATOM 928 CA TYR A 59 36.077 38.299 26.934 1.00 0.00 C ATOM 929 C TYR A 59 35.060 39.247 27.571 1.00 0.00 C ATOM 930 O TYR A 59 35.282 39.718 28.685 1.00 0.00 O ATOM 931 CB TYR A 59 37.447 38.954 26.783 1.00 0.00 C ATOM 932 CG TYR A 59 38.541 38.031 26.302 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.130 37.129 27.197 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.977 38.088 24.974 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.169 36.292 26.776 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.023 37.263 24.544 1.00 0.00 C ATOM 937 CZ TYR A 59 40.621 36.359 25.443 1.00 0.00 C ATOM 938 OH TYR A 59 41.654 35.573 25.024 1.00 0.00 O ATOM 0 H TYR A 59 35.829 38.439 24.888 1.00 0.00 H new ATOM 0 HA TYR A 59 36.143 37.460 27.627 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.361 39.787 26.085 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.742 39.373 27.745 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.780 37.079 28.218 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.506 38.769 24.280 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.622 35.598 27.469 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.371 37.320 23.523 1.00 0.00 H new ATOM 0 HH TYR A 59 41.323 34.669 24.838 1.00 0.00 H new ATOM 948 N ASN A 60 33.951 39.536 26.897 1.00 0.00 N ATOM 949 CA ASN A 60 32.935 40.507 27.248 1.00 0.00 C ATOM 950 C ASN A 60 33.460 41.890 27.637 1.00 0.00 C ATOM 951 O ASN A 60 33.046 42.454 28.647 1.00 0.00 O ATOM 952 CB ASN A 60 31.924 39.912 28.225 1.00 0.00 C ATOM 953 CG ASN A 60 30.618 40.708 28.190 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.059 40.965 27.126 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.092 41.147 29.330 1.00 0.00 N ATOM 0 H ASN A 60 33.728 39.057 26.025 1.00 0.00 H new ATOM 0 HA ASN A 60 32.395 40.727 26.327 1.00 0.00 H new ATOM 0 HB2 ASN A 60 31.730 38.871 27.968 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.336 39.920 29.234 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.230 41.693 29.317 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.550 40.938 30.217 1.00 0.00 H new ATOM 962 N ILE A 61 34.378 42.442 26.848 1.00 0.00 N ATOM 963 CA ILE A 61 34.964 43.751 27.058 1.00 0.00 C ATOM 964 C ILE A 61 34.167 44.800 26.279 1.00 0.00 C ATOM 965 O ILE A 61 34.014 44.686 25.065 1.00 0.00 O ATOM 966 CB ILE A 61 36.446 43.748 26.701 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.201 42.730 27.551 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.054 45.137 26.879 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.686 42.576 27.230 1.00 0.00 C ATOM 0 H ILE A 61 34.742 41.971 26.020 1.00 0.00 H new ATOM 0 HA ILE A 61 34.908 44.012 28.115 1.00 0.00 H new ATOM 0 HB ILE A 61 36.537 43.465 25.652 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.101 43.013 28.599 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.720 41.759 27.436 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.112 45.107 26.618 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.540 45.845 26.230 1.00 0.00 H new ATOM 0 HG23 ILE A 61 36.945 45.451 27.917 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.126 41.829 27.891 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.803 42.258 26.194 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.191 43.531 27.375 1.00 0.00 H new ATOM 981 N GLN A 62 33.660 45.813 26.975 1.00 0.00 N ATOM 982 CA GLN A 62 32.887 46.918 26.444 1.00 0.00 C ATOM 983 C GLN A 62 33.585 48.266 26.625 1.00 0.00 C ATOM 984 O GLN A 62 34.728 48.321 27.073 1.00 0.00 O ATOM 985 CB GLN A 62 31.495 46.863 27.068 1.00 0.00 C ATOM 986 CG GLN A 62 30.686 45.683 26.539 1.00 0.00 C ATOM 987 CD GLN A 62 29.261 45.640 27.095 1.00 0.00 C ATOM 988 OE1 GLN A 62 28.833 46.472 27.892 1.00 0.00 O ATOM 989 NE2 GLN A 62 28.467 44.652 26.693 1.00 0.00 N ATOM 0 H GLN A 62 33.789 45.883 27.984 1.00 0.00 H new ATOM 0 HA GLN A 62 32.793 46.817 25.363 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.585 46.786 28.152 1.00 0.00 H new ATOM 0 HB3 GLN A 62 30.965 47.792 26.857 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.645 45.736 25.451 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.198 44.755 26.793 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.813 43.957 26.032 1.00 0.00 H new ATOM 0 HE22 GLN A 62 27.512 44.590 27.046 1.00 0.00 H new ATOM 998 N LYS A 63 32.923 49.358 26.251 1.00 0.00 N ATOM 999 CA LYS A 63 33.464 50.700 26.199 1.00 0.00 C ATOM 1000 C LYS A 63 34.223 51.154 27.448 1.00 0.00 C ATOM 1001 O LYS A 63 33.921 50.739 28.566 1.00 0.00 O ATOM 1002 CB LYS A 63 32.374 51.709 25.846 1.00 0.00 C ATOM 1003 CG LYS A 63 31.348 51.977 26.943 1.00 0.00 C ATOM 1004 CD LYS A 63 30.481 53.183 26.593 1.00 0.00 C ATOM 1005 CE LYS A 63 29.422 53.514 27.640 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.984 53.827 28.963 1.00 0.00 N ATOM 0 H LYS A 63 31.945 49.321 25.963 1.00 0.00 H new ATOM 0 HA LYS A 63 34.216 50.661 25.410 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.849 52.653 25.579 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.848 51.355 24.959 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.718 51.098 27.080 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.859 52.154 27.889 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.125 54.052 26.456 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.988 52.998 25.639 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.833 54.363 27.294 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.739 52.670 27.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.327 54.443 29.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.127 52.946 29.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.896 54.314 28.847 1.00 0.00 H new ATOM 1020 N GLU A 64 35.179 52.059 27.258 1.00 0.00 N ATOM 1021 CA GLU A 64 35.948 52.752 28.271 1.00 0.00 C ATOM 1022 C GLU A 64 36.825 51.870 29.163 1.00 0.00 C ATOM 1023 O GLU A 64 37.444 52.353 30.108 1.00 0.00 O ATOM 1024 CB GLU A 64 35.063 53.739 29.025 1.00 0.00 C ATOM 1025 CG GLU A 64 34.417 54.764 28.097 1.00 0.00 C ATOM 1026 CD GLU A 64 33.475 55.708 28.846 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.837 56.888 29.048 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.338 55.307 29.173 1.00 0.00 O ATOM 0 H GLU A 64 35.452 52.344 26.318 1.00 0.00 H new ATOM 0 HA GLU A 64 36.706 53.326 27.739 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.284 53.192 29.557 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.659 54.257 29.776 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.195 55.346 27.603 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.863 54.245 27.315 1.00 0.00 H new ATOM 1035 N SER A 65 36.932 50.585 28.840 1.00 0.00 N ATOM 1036 CA SER A 65 37.895 49.654 29.392 1.00 0.00 C ATOM 1037 C SER A 65 39.331 50.023 29.009 1.00 0.00 C ATOM 1038 O SER A 65 39.559 50.564 27.929 1.00 0.00 O ATOM 1039 CB SER A 65 37.600 48.244 28.890 1.00 0.00 C ATOM 1040 OG SER A 65 36.290 47.851 29.230 1.00 0.00 O ATOM 0 H SER A 65 36.317 50.149 28.153 1.00 0.00 H new ATOM 0 HA SER A 65 37.805 49.700 30.477 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.726 48.206 27.808 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.317 47.544 29.319 1.00 0.00 H new ATOM 0 HG SER A 65 35.690 48.024 28.475 1.00 0.00 H new ATOM 1046 N THR A 66 40.303 49.687 29.852 1.00 0.00 N ATOM 1047 CA THR A 66 41.715 49.856 29.574 1.00 0.00 C ATOM 1048 C THR A 66 42.413 48.495 29.511 1.00 0.00 C ATOM 1049 O THR A 66 42.551 47.795 30.512 1.00 0.00 O ATOM 1050 CB THR A 66 42.390 50.778 30.586 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.768 52.044 30.587 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.860 51.032 30.261 1.00 0.00 C ATOM 0 H THR A 66 40.120 49.280 30.769 1.00 0.00 H new ATOM 0 HA THR A 66 41.806 50.337 28.600 1.00 0.00 H new ATOM 0 HB THR A 66 42.302 50.273 31.548 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.209 52.625 31.241 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.290 51.694 31.013 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.401 50.086 30.259 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.940 51.498 29.279 1.00 0.00 H new ATOM 1060 N LEU A 67 42.882 48.141 28.318 1.00 0.00 N ATOM 1061 CA LEU A 67 43.765 47.018 28.079 1.00 0.00 C ATOM 1062 C LEU A 67 45.196 47.387 28.477 1.00 0.00 C ATOM 1063 O LEU A 67 45.585 48.551 28.414 1.00 0.00 O ATOM 1064 CB LEU A 67 43.701 46.609 26.610 1.00 0.00 C ATOM 1065 CG LEU A 67 42.315 46.285 26.061 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.428 45.873 24.595 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.632 45.151 26.819 1.00 0.00 C ATOM 0 H LEU A 67 42.646 48.650 27.466 1.00 0.00 H new ATOM 0 HA LEU A 67 43.445 46.172 28.687 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.127 47.414 26.011 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.338 45.736 26.469 1.00 0.00 H new ATOM 0 HG LEU A 67 41.713 47.186 26.177 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.437 45.642 24.205 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.863 46.690 24.020 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.065 44.992 24.513 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.650 44.963 26.385 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.239 44.248 26.747 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.519 45.430 27.867 1.00 0.00 H new ATOM 1079 N HIS A 68 46.002 46.400 28.860 1.00 0.00 N ATOM 1080 CA HIS A 68 47.428 46.566 29.056 1.00 0.00 C ATOM 1081 C HIS A 68 48.192 45.798 27.974 1.00 0.00 C ATOM 1082 O HIS A 68 47.660 44.857 27.390 1.00 0.00 O ATOM 1083 CB HIS A 68 47.828 46.205 30.483 1.00 0.00 C ATOM 1084 CG HIS A 68 47.466 47.225 31.529 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.312 47.638 32.556 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.251 47.833 31.703 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.608 48.477 33.319 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.372 48.636 32.821 1.00 0.00 N ATOM 0 H HIS A 68 45.672 45.452 29.044 1.00 0.00 H new ATOM 0 HA HIS A 68 47.702 47.615 28.941 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.359 45.257 30.746 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.906 46.046 30.512 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.372 47.709 31.088 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.980 48.959 34.211 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.647 49.244 33.202 1.00 0.00 H new ATOM 1096 N LEU A 69 49.423 46.203 27.675 1.00 0.00 N ATOM 1097 CA LEU A 69 50.248 45.635 26.629 1.00 0.00 C ATOM 1098 C LEU A 69 51.603 45.192 27.184 1.00 0.00 C ATOM 1099 O LEU A 69 52.181 45.877 28.025 1.00 0.00 O ATOM 1100 CB LEU A 69 50.377 46.679 25.523 1.00 0.00 C ATOM 1101 CG LEU A 69 51.265 46.322 24.335 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.686 45.193 23.487 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.429 47.540 23.430 1.00 0.00 C ATOM 0 H LEU A 69 49.884 46.963 28.176 1.00 0.00 H new ATOM 0 HA LEU A 69 49.790 44.736 26.217 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.378 46.898 25.146 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.759 47.598 25.967 1.00 0.00 H new ATOM 0 HG LEU A 69 52.219 45.995 24.748 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.359 44.980 22.656 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.573 44.299 24.100 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.713 45.492 23.098 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.064 47.281 22.583 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.452 47.858 23.067 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.889 48.352 23.993 1.00 0.00 H new ATOM 1115 N VAL A 70 52.118 44.073 26.681 1.00 0.00 N ATOM 1116 CA VAL A 70 53.487 43.639 26.874 1.00 0.00 C ATOM 1117 C VAL A 70 54.088 43.223 25.530 1.00 0.00 C ATOM 1118 O VAL A 70 53.472 42.482 24.767 1.00 0.00 O ATOM 1119 CB VAL A 70 53.599 42.507 27.892 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.053 42.282 28.293 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.830 42.769 29.184 1.00 0.00 C ATOM 0 H VAL A 70 51.572 43.427 26.111 1.00 0.00 H new ATOM 0 HA VAL A 70 54.050 44.479 27.280 1.00 0.00 H new ATOM 0 HB VAL A 70 53.172 41.639 27.390 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.109 41.471 29.019 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.637 42.020 27.411 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.453 43.194 28.736 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.955 41.923 29.860 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.213 43.672 29.659 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.772 42.899 28.958 1.00 0.00 H new ATOM 1131 N LEU A 71 55.289 43.704 25.224 1.00 0.00 N ATOM 1132 CA LEU A 71 55.995 43.412 23.993 1.00 0.00 C ATOM 1133 C LEU A 71 56.873 42.161 24.071 1.00 0.00 C ATOM 1134 O LEU A 71 57.049 41.566 25.132 1.00 0.00 O ATOM 1135 CB LEU A 71 56.784 44.636 23.538 1.00 0.00 C ATOM 1136 CG LEU A 71 55.977 45.917 23.347 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.860 46.996 22.724 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.751 45.721 22.462 1.00 0.00 C ATOM 0 H LEU A 71 55.807 44.324 25.846 1.00 0.00 H new ATOM 0 HA LEU A 71 55.241 43.179 23.241 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.569 44.830 24.269 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.277 44.397 22.596 1.00 0.00 H new ATOM 0 HG LEU A 71 55.630 46.216 24.336 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.279 47.909 22.590 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.706 47.198 23.381 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.226 46.653 21.756 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.218 46.667 22.364 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.065 45.377 21.476 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.092 44.979 22.912 1.00 0.00 H new ATOM 1150 N ARG A 72 57.410 41.743 22.928 1.00 0.00 N ATOM 1151 CA ARG A 72 58.416 40.714 22.760 1.00 0.00 C ATOM 1152 C ARG A 72 59.505 41.194 21.798 1.00 0.00 C ATOM 1153 O ARG A 72 59.625 40.715 20.673 1.00 0.00 O ATOM 1154 CB ARG A 72 57.798 39.391 22.313 1.00 0.00 C ATOM 1155 CG ARG A 72 56.908 38.690 23.334 1.00 0.00 C ATOM 1156 CD ARG A 72 55.442 39.112 23.282 1.00 0.00 C ATOM 1157 NE ARG A 72 54.638 38.368 24.251 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.522 38.596 25.567 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.136 39.596 26.214 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.727 37.802 26.297 1.00 0.00 N ATOM 0 H ARG A 72 57.129 42.147 22.035 1.00 0.00 H new ATOM 0 HA ARG A 72 58.881 40.525 23.727 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.211 39.573 21.413 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.604 38.712 22.036 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.970 37.613 23.175 1.00 0.00 H new ATOM 0 HG3 ARG A 72 57.296 38.887 24.333 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.362 40.180 23.484 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.050 38.947 22.278 1.00 0.00 H new ATOM 0 HE ARG A 72 54.102 37.583 23.882 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.736 40.242 25.702 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.003 39.711 27.219 1.00 0.00 H new ATOM 0 HH21 ARG A 72 53.221 37.037 25.850 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.628 37.962 27.299 1.00 0.00 H new ATOM 1174 N LEU A 73 60.263 42.203 22.216 1.00 0.00 N ATOM 1175 CA LEU A 73 61.341 42.791 21.447 1.00 0.00 C ATOM 1176 C LEU A 73 62.597 41.917 21.452 1.00 0.00 C ATOM 1177 O LEU A 73 62.820 41.146 22.383 1.00 0.00 O ATOM 1178 CB LEU A 73 61.615 44.222 21.903 1.00 0.00 C ATOM 1179 CG LEU A 73 60.424 45.173 21.812 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.861 46.581 22.209 1.00 0.00 C ATOM 1181 CD2 LEU A 73 59.806 45.245 20.419 1.00 0.00 C ATOM 0 H LEU A 73 60.136 42.643 23.127 1.00 0.00 H new ATOM 0 HA LEU A 73 61.021 42.841 20.406 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.961 44.197 22.936 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.430 44.628 21.303 1.00 0.00 H new ATOM 0 HG LEU A 73 59.668 44.777 22.490 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.010 47.258 22.143 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.238 46.570 23.232 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.648 46.921 21.536 1.00 0.00 H new ATOM 0 HD21 LEU A 73 58.966 45.939 20.429 1.00 0.00 H new ATOM 0 HD22 LEU A 73 60.554 45.592 19.706 1.00 0.00 H new ATOM 0 HD23 LEU A 73 59.456 44.256 20.125 1.00 0.00 H new ATOM 1193 N ARG A 74 63.399 42.023 20.397 1.00 0.00 N ATOM 1194 CA ARG A 74 64.528 41.170 20.084 1.00 0.00 C ATOM 1195 C ARG A 74 65.849 41.941 20.112 1.00 0.00 C ATOM 1196 O ARG A 74 65.884 43.116 19.752 1.00 0.00 O ATOM 1197 CB ARG A 74 64.331 40.546 18.706 1.00 0.00 C ATOM 1198 CG ARG A 74 63.004 39.822 18.502 1.00 0.00 C ATOM 1199 CD ARG A 74 62.982 39.208 17.105 1.00 0.00 C ATOM 1200 NE ARG A 74 61.661 38.694 16.742 1.00 0.00 N ATOM 1201 CZ ARG A 74 61.352 38.127 15.567 1.00 0.00 C ATOM 1202 NH1 ARG A 74 62.280 37.916 14.623 1.00 0.00 N ATOM 1203 NH2 ARG A 74 60.102 37.729 15.296 1.00 0.00 N ATOM 0 H ARG A 74 63.265 42.754 19.698 1.00 0.00 H new ATOM 0 HA ARG A 74 64.579 40.392 20.846 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.417 41.331 17.954 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.142 39.841 18.525 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.879 39.045 19.256 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.173 40.518 18.620 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.290 39.958 16.377 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.710 38.398 17.056 1.00 0.00 H new ATOM 0 HE ARG A 74 60.918 38.773 17.436 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.249 38.189 14.790 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.018 37.483 13.738 1.00 0.00 H new ATOM 0 HH21 ARG A 74 59.365 37.855 15.990 1.00 0.00 H new ATOM 0 HH22 ARG A 74 59.887 37.300 14.396 1.00 0.00 H new ATOM 1217 N GLY A 75 66.943 41.271 20.463 1.00 0.00 N ATOM 1218 CA GLY A 75 68.271 41.850 20.451 1.00 0.00 C ATOM 1219 C GLY A 75 69.392 40.950 20.974 1.00 0.00 C ATOM 1220 O GLY A 75 69.177 39.786 21.305 1.00 0.00 O ATOM 0 H GLY A 75 66.925 40.298 20.767 1.00 0.00 H new ATOM 0 HA2 GLY A 75 68.511 42.141 19.428 1.00 0.00 H new ATOM 0 HA3 GLY A 75 68.255 42.763 21.047 1.00 0.00 H new ATOM 1224 N GLY A 76 70.590 41.521 21.059 1.00 0.00 N ATOM 1225 CA GLY A 76 71.798 40.904 21.567 1.00 0.00 C ATOM 1226 C GLY A 76 72.791 40.494 20.476 1.00 0.00 C ATOM 1227 O GLY A 76 73.971 40.890 20.592 1.00 0.00 O ATOM 1228 OXT GLY A 76 72.418 39.707 19.579 1.00 0.00 O ATOM 0 H GLY A 76 70.746 42.482 20.756 1.00 0.00 H new ATOM 0 HA2 GLY A 76 72.289 41.597 22.250 1.00 0.00 H new ATOM 0 HA3 GLY A 76 71.527 40.023 22.148 1.00 0.00 H new TER 1232 GLY A 76