USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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 51 HIS : no HD1:sc= 0 X(o=1.1,f=1.1) USER MOD Set 1.2: A 83 SER OG : rot 36:sc= 1.1 USER MOD Set 2.1: A 48 SER OG : rot 180:sc= 0.233 USER MOD Set 2.2: A 49 THR OG1 : rot 168:sc= 1.27 USER MOD Set 2.3: A 104 GLN : amide:sc= 1.95 K(o=3.5,f=1.5) USER MOD Set 3.1: A 31 GLN : amide:sc= 1.05 K(o=1,f=-1.2) USER MOD Set 3.2: A 111 ASN : amide:sc= -0.0213 X(o=1,f=0.65) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= 1.12 (180deg=0.989) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0432 USER MOD Single : A 15 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.53) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.911 F(o=-2.1,f=-0.91) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.372 F(o=-1.3,f=-0.37) USER MOD Single : A 37 MET CE :methyl -159:sc= 0 (180deg=-0.568) USER MOD Single : A 44 SER OG : rot 147:sc= 0.209 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.15 K(o=-0.15,f=-4!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 82 THR OG1 : rot 137:sc= 1.32 USER MOD Single : A 88 GLN : amide:sc= 0.272 K(o=0.27,f=-3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 158:sc= -0.311 (180deg=-0.76) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -130:sc= 0 (180deg=-0.0119) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.275 X(o=-0.27,f=-0.69) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= -0.0557 K(o=-0.056,f=-1.2) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 47.696 12.776 23.400 1.00 0.00 N ATOM 2 CA GLY A 1 46.378 13.385 23.633 1.00 0.00 C ATOM 3 C GLY A 1 45.984 14.294 22.485 1.00 0.00 C ATOM 4 O GLY A 1 46.639 15.302 22.232 1.00 0.00 O ATOM 0 H1 GLY A 1 47.940 12.159 24.201 1.00 0.00 H new ATOM 0 H2 GLY A 1 47.669 12.213 22.526 1.00 0.00 H new ATOM 0 H3 GLY A 1 48.413 13.524 23.308 1.00 0.00 H new ATOM 0 HA2 GLY A 1 45.629 12.602 23.754 1.00 0.00 H new ATOM 0 HA3 GLY A 1 46.397 13.955 24.562 1.00 0.00 H new ATOM 10 N GLU A 2 44.910 13.945 21.777 1.00 0.00 N ATOM 11 CA GLU A 2 44.436 14.637 20.568 1.00 0.00 C ATOM 12 C GLU A 2 43.508 15.834 20.869 1.00 0.00 C ATOM 13 O GLU A 2 42.983 15.980 21.979 1.00 0.00 O ATOM 14 CB GLU A 2 43.777 13.623 19.607 1.00 0.00 C ATOM 15 CG GLU A 2 44.740 12.472 19.269 1.00 0.00 C ATOM 16 CD GLU A 2 44.289 11.570 18.115 1.00 0.00 C ATOM 17 OE1 GLU A 2 43.068 11.325 17.938 1.00 0.00 O ATOM 18 OE2 GLU A 2 45.187 11.046 17.408 1.00 0.00 O ATOM 0 H GLU A 2 44.325 13.150 22.033 1.00 0.00 H new ATOM 0 HA GLU A 2 45.308 15.072 20.080 1.00 0.00 H new ATOM 0 HB2 GLU A 2 42.872 13.222 20.062 1.00 0.00 H new ATOM 0 HB3 GLU A 2 43.475 14.130 18.690 1.00 0.00 H new ATOM 0 HG2 GLU A 2 45.714 12.894 19.022 1.00 0.00 H new ATOM 0 HG3 GLU A 2 44.875 11.858 20.159 1.00 0.00 H new ATOM 25 N GLU A 3 43.313 16.702 19.872 1.00 0.00 N ATOM 26 CA GLU A 3 42.488 17.915 19.961 1.00 0.00 C ATOM 27 C GLU A 3 40.963 17.657 19.894 1.00 0.00 C ATOM 28 O GLU A 3 40.507 16.568 19.523 1.00 0.00 O ATOM 29 CB GLU A 3 42.976 18.965 18.944 1.00 0.00 C ATOM 30 CG GLU A 3 42.763 18.637 17.453 1.00 0.00 C ATOM 31 CD GLU A 3 43.854 17.786 16.780 1.00 0.00 C ATOM 32 OE1 GLU A 3 44.776 17.248 17.450 1.00 0.00 O ATOM 33 OE2 GLU A 3 43.785 17.639 15.534 1.00 0.00 O ATOM 0 H GLU A 3 43.737 16.578 18.952 1.00 0.00 H new ATOM 0 HA GLU A 3 42.628 18.322 20.962 1.00 0.00 H new ATOM 0 HB2 GLU A 3 42.473 19.907 19.160 1.00 0.00 H new ATOM 0 HB3 GLU A 3 44.041 19.128 19.108 1.00 0.00 H new ATOM 0 HG2 GLU A 3 41.811 18.117 17.350 1.00 0.00 H new ATOM 0 HG3 GLU A 3 42.675 19.575 16.905 1.00 0.00 H new ATOM 40 N LEU A 4 40.163 18.656 20.292 1.00 0.00 N ATOM 41 CA LEU A 4 38.762 18.523 20.727 1.00 0.00 C ATOM 42 C LEU A 4 37.827 19.545 20.021 1.00 0.00 C ATOM 43 O LEU A 4 38.270 20.368 19.213 1.00 0.00 O ATOM 44 CB LEU A 4 38.719 18.713 22.267 1.00 0.00 C ATOM 45 CG LEU A 4 39.741 17.908 23.105 1.00 0.00 C ATOM 46 CD1 LEU A 4 39.766 18.391 24.556 1.00 0.00 C ATOM 47 CD2 LEU A 4 39.436 16.411 23.116 1.00 0.00 C ATOM 0 H LEU A 4 40.487 19.623 20.321 1.00 0.00 H new ATOM 0 HA LEU A 4 38.396 17.534 20.451 1.00 0.00 H new ATOM 0 HB2 LEU A 4 38.865 19.772 22.481 1.00 0.00 H new ATOM 0 HB3 LEU A 4 37.718 18.453 22.612 1.00 0.00 H new ATOM 0 HG LEU A 4 40.708 18.073 22.630 1.00 0.00 H new ATOM 0 HD11 LEU A 4 40.493 17.808 25.121 1.00 0.00 H new ATOM 0 HD12 LEU A 4 40.045 19.444 24.584 1.00 0.00 H new ATOM 0 HD13 LEU A 4 38.778 18.266 24.998 1.00 0.00 H new ATOM 0 HD21 LEU A 4 40.182 15.892 23.718 1.00 0.00 H new ATOM 0 HD22 LEU A 4 38.447 16.244 23.542 1.00 0.00 H new ATOM 0 HD23 LEU A 4 39.461 16.027 22.096 1.00 0.00 H new ATOM 59 N LYS A 5 36.527 19.538 20.352 1.00 0.00 N ATOM 60 CA LYS A 5 35.568 20.618 20.035 1.00 0.00 C ATOM 61 C LYS A 5 34.524 20.832 21.145 1.00 0.00 C ATOM 62 O LYS A 5 34.318 19.949 21.975 1.00 0.00 O ATOM 63 CB LYS A 5 34.913 20.408 18.656 1.00 0.00 C ATOM 64 CG LYS A 5 33.980 19.192 18.542 1.00 0.00 C ATOM 65 CD LYS A 5 32.889 19.484 17.501 1.00 0.00 C ATOM 66 CE LYS A 5 31.838 18.371 17.404 1.00 0.00 C ATOM 67 NZ LYS A 5 32.364 17.165 16.727 1.00 0.00 N ATOM 0 H LYS A 5 36.099 18.764 20.860 1.00 0.00 H new ATOM 0 HA LYS A 5 36.145 21.541 19.983 1.00 0.00 H new ATOM 0 HB2 LYS A 5 34.346 21.304 18.403 1.00 0.00 H new ATOM 0 HB3 LYS A 5 35.702 20.309 17.910 1.00 0.00 H new ATOM 0 HG2 LYS A 5 34.549 18.309 18.251 1.00 0.00 H new ATOM 0 HG3 LYS A 5 33.527 18.975 19.509 1.00 0.00 H new ATOM 0 HD2 LYS A 5 32.394 20.422 17.755 1.00 0.00 H new ATOM 0 HD3 LYS A 5 33.354 19.623 16.525 1.00 0.00 H new ATOM 0 HE2 LYS A 5 31.499 18.105 18.405 1.00 0.00 H new ATOM 0 HE3 LYS A 5 30.968 18.741 16.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 31.620 16.439 16.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 32.664 17.411 15.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 33.178 16.796 17.259 1.00 0.00 H new ATOM 81 N ILE A 6 33.890 22.006 21.145 1.00 0.00 N ATOM 82 CA ILE A 6 32.838 22.469 22.070 1.00 0.00 C ATOM 83 C ILE A 6 31.661 23.025 21.262 1.00 0.00 C ATOM 84 O ILE A 6 31.850 23.852 20.371 1.00 0.00 O ATOM 85 CB ILE A 6 33.394 23.518 23.080 1.00 0.00 C ATOM 86 CG1 ILE A 6 32.324 24.251 23.945 1.00 0.00 C ATOM 87 CG2 ILE A 6 34.241 24.589 22.371 1.00 0.00 C ATOM 88 CD1 ILE A 6 32.869 24.952 25.196 1.00 0.00 C ATOM 0 H ILE A 6 34.111 22.717 20.447 1.00 0.00 H new ATOM 0 HA ILE A 6 32.485 21.625 22.662 1.00 0.00 H new ATOM 0 HB ILE A 6 33.997 22.914 23.758 1.00 0.00 H new ATOM 0 HG12 ILE A 6 31.821 24.991 23.323 1.00 0.00 H new ATOM 0 HG13 ILE A 6 31.569 23.527 24.253 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.613 25.304 23.105 1.00 0.00 H new ATOM 0 HG22 ILE A 6 35.084 24.113 21.869 1.00 0.00 H new ATOM 0 HG23 ILE A 6 33.628 25.110 21.636 1.00 0.00 H new ATOM 0 HD11 ILE A 6 32.049 25.432 25.730 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.345 24.218 25.846 1.00 0.00 H new ATOM 0 HD13 ILE A 6 33.600 25.705 24.902 1.00 0.00 H new ATOM 100 N THR A 7 30.441 22.605 21.597 1.00 0.00 N ATOM 101 CA THR A 7 29.204 23.185 21.057 1.00 0.00 C ATOM 102 C THR A 7 28.513 24.028 22.108 1.00 0.00 C ATOM 103 O THR A 7 28.294 23.577 23.231 1.00 0.00 O ATOM 104 CB THR A 7 28.241 22.113 20.515 1.00 0.00 C ATOM 105 OG1 THR A 7 28.899 21.310 19.560 1.00 0.00 O ATOM 106 CG2 THR A 7 27.022 22.737 19.832 1.00 0.00 C ATOM 0 H THR A 7 30.278 21.845 22.257 1.00 0.00 H new ATOM 0 HA THR A 7 29.488 23.818 20.216 1.00 0.00 H new ATOM 0 HB THR A 7 27.914 21.521 21.369 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.280 20.630 19.222 1.00 0.00 H new ATOM 0 HG21 THR A 7 26.367 21.947 19.463 1.00 0.00 H new ATOM 0 HG22 THR A 7 26.479 23.353 20.549 1.00 0.00 H new ATOM 0 HG23 THR A 7 27.350 23.356 18.997 1.00 0.00 H new ATOM 114 N PHE A 8 28.114 25.234 21.721 1.00 0.00 N ATOM 115 CA PHE A 8 27.294 26.123 22.529 1.00 0.00 C ATOM 116 C PHE A 8 25.980 26.458 21.820 1.00 0.00 C ATOM 117 O PHE A 8 25.970 26.761 20.626 1.00 0.00 O ATOM 118 CB PHE A 8 28.059 27.394 22.921 1.00 0.00 C ATOM 119 CG PHE A 8 29.575 27.336 23.066 1.00 0.00 C ATOM 120 CD1 PHE A 8 30.366 27.223 21.905 1.00 0.00 C ATOM 121 CD2 PHE A 8 30.216 27.557 24.310 1.00 0.00 C ATOM 122 CE1 PHE A 8 31.758 27.269 21.979 1.00 0.00 C ATOM 123 CE2 PHE A 8 31.609 27.690 24.369 1.00 0.00 C ATOM 124 CZ PHE A 8 32.372 27.521 23.206 1.00 0.00 C ATOM 0 H PHE A 8 28.359 25.629 20.813 1.00 0.00 H new ATOM 0 HA PHE A 8 27.048 25.596 23.451 1.00 0.00 H new ATOM 0 HB2 PHE A 8 27.830 28.157 22.177 1.00 0.00 H new ATOM 0 HB3 PHE A 8 27.652 27.742 23.870 1.00 0.00 H new ATOM 0 HD1 PHE A 8 29.888 27.099 20.945 1.00 0.00 H new ATOM 0 HD2 PHE A 8 29.629 27.623 25.214 1.00 0.00 H new ATOM 0 HE1 PHE A 8 32.356 27.111 21.094 1.00 0.00 H new ATOM 0 HE2 PHE A 8 32.093 27.922 25.306 1.00 0.00 H new ATOM 0 HZ PHE A 8 33.449 27.587 23.260 1.00 0.00 H new ATOM 134 N ILE A 9 24.879 26.439 22.576 1.00 0.00 N ATOM 135 CA ILE A 9 23.585 26.987 22.140 1.00 0.00 C ATOM 136 C ILE A 9 23.496 28.468 22.514 1.00 0.00 C ATOM 137 O ILE A 9 23.800 28.846 23.647 1.00 0.00 O ATOM 138 CB ILE A 9 22.379 26.203 22.687 1.00 0.00 C ATOM 139 CG1 ILE A 9 22.559 24.687 22.437 1.00 0.00 C ATOM 140 CG2 ILE A 9 21.054 26.786 22.143 1.00 0.00 C ATOM 141 CD1 ILE A 9 21.275 23.848 22.377 1.00 0.00 C ATOM 0 H ILE A 9 24.857 26.041 23.515 1.00 0.00 H new ATOM 0 HA ILE A 9 23.539 26.883 21.056 1.00 0.00 H new ATOM 0 HB ILE A 9 22.325 26.320 23.769 1.00 0.00 H new ATOM 0 HG12 ILE A 9 23.096 24.557 21.498 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.194 24.284 23.226 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.215 26.217 22.543 1.00 0.00 H new ATOM 0 HG22 ILE A 9 20.963 27.829 22.448 1.00 0.00 H new ATOM 0 HG23 ILE A 9 21.049 26.724 21.055 1.00 0.00 H new ATOM 0 HD11 ILE A 9 21.531 22.804 22.197 1.00 0.00 H new ATOM 0 HD12 ILE A 9 20.740 23.933 23.323 1.00 0.00 H new ATOM 0 HD13 ILE A 9 20.641 24.211 21.568 1.00 0.00 H new ATOM 153 N LEU A 10 23.072 29.287 21.555 1.00 0.00 N ATOM 154 CA LEU A 10 23.086 30.745 21.618 1.00 0.00 C ATOM 155 C LEU A 10 21.789 31.349 22.184 1.00 0.00 C ATOM 156 O LEU A 10 20.738 30.712 22.202 1.00 0.00 O ATOM 157 CB LEU A 10 23.357 31.282 20.203 1.00 0.00 C ATOM 158 CG LEU A 10 24.644 30.836 19.484 1.00 0.00 C ATOM 159 CD1 LEU A 10 25.022 31.960 18.511 1.00 0.00 C ATOM 160 CD2 LEU A 10 25.842 30.603 20.404 1.00 0.00 C ATOM 0 H LEU A 10 22.693 28.937 20.675 1.00 0.00 H new ATOM 0 HA LEU A 10 23.873 31.044 22.311 1.00 0.00 H new ATOM 0 HB2 LEU A 10 22.512 31.002 19.574 1.00 0.00 H new ATOM 0 HB3 LEU A 10 23.367 32.371 20.257 1.00 0.00 H new ATOM 0 HG LEU A 10 24.430 29.880 19.006 1.00 0.00 H new ATOM 0 HD11 LEU A 10 25.932 31.688 17.976 1.00 0.00 H new ATOM 0 HD12 LEU A 10 24.213 32.110 17.797 1.00 0.00 H new ATOM 0 HD13 LEU A 10 25.190 32.882 19.068 1.00 0.00 H new ATOM 0 HD21 LEU A 10 26.702 30.292 19.810 1.00 0.00 H new ATOM 0 HD22 LEU A 10 26.080 31.526 20.932 1.00 0.00 H new ATOM 0 HD23 LEU A 10 25.600 29.824 21.127 1.00 0.00 H new ATOM 172 N LYS A 11 21.838 32.635 22.560 1.00 0.00 N ATOM 173 CA LYS A 11 20.672 33.431 22.993 1.00 0.00 C ATOM 174 C LYS A 11 19.653 33.733 21.878 1.00 0.00 C ATOM 175 O LYS A 11 18.496 34.034 22.169 1.00 0.00 O ATOM 176 CB LYS A 11 21.159 34.661 23.788 1.00 0.00 C ATOM 177 CG LYS A 11 22.190 35.579 23.113 1.00 0.00 C ATOM 178 CD LYS A 11 21.548 36.588 22.151 1.00 0.00 C ATOM 179 CE LYS A 11 22.617 37.411 21.430 1.00 0.00 C ATOM 180 NZ LYS A 11 21.998 38.263 20.393 1.00 0.00 N ATOM 0 H LYS A 11 22.708 33.167 22.573 1.00 0.00 H new ATOM 0 HA LYS A 11 20.074 32.820 23.669 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.287 35.264 24.042 1.00 0.00 H new ATOM 0 HB3 LYS A 11 21.587 34.307 24.726 1.00 0.00 H new ATOM 0 HG2 LYS A 11 22.747 36.118 23.880 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.909 34.970 22.566 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.935 36.060 21.420 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.884 37.252 22.704 1.00 0.00 H new ATOM 0 HE2 LYS A 11 23.153 38.032 22.148 1.00 0.00 H new ATOM 0 HE3 LYS A 11 23.351 36.746 20.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.736 38.631 19.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.318 37.701 19.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.503 39.057 20.846 1.00 0.00 H new ATOM 194 N ASP A 12 20.042 33.565 20.615 1.00 0.00 N ATOM 195 CA ASP A 12 19.164 33.459 19.434 1.00 0.00 C ATOM 196 C ASP A 12 19.009 32.008 18.903 1.00 0.00 C ATOM 197 O ASP A 12 18.700 31.776 17.732 1.00 0.00 O ATOM 198 CB ASP A 12 19.588 34.490 18.370 1.00 0.00 C ATOM 199 CG ASP A 12 19.245 35.921 18.796 1.00 0.00 C ATOM 200 OD1 ASP A 12 18.060 36.176 19.124 1.00 0.00 O ATOM 201 OD2 ASP A 12 20.131 36.812 18.803 1.00 0.00 O ATOM 0 H ASP A 12 21.029 33.495 20.367 1.00 0.00 H new ATOM 0 HA ASP A 12 18.149 33.714 19.740 1.00 0.00 H new ATOM 0 HB2 ASP A 12 20.661 34.410 18.194 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.092 34.263 17.426 1.00 0.00 H new ATOM 206 N GLY A 13 19.234 31.005 19.763 1.00 0.00 N ATOM 207 CA GLY A 13 18.926 29.583 19.535 1.00 0.00 C ATOM 208 C GLY A 13 19.874 28.815 18.602 1.00 0.00 C ATOM 209 O GLY A 13 19.721 27.596 18.457 1.00 0.00 O ATOM 0 H GLY A 13 19.654 31.168 20.678 1.00 0.00 H new ATOM 0 HA2 GLY A 13 18.915 29.078 20.501 1.00 0.00 H new ATOM 0 HA3 GLY A 13 17.917 29.514 19.128 1.00 0.00 H new ATOM 213 N SER A 14 20.845 29.497 17.987 1.00 0.00 N ATOM 214 CA SER A 14 21.877 28.926 17.111 1.00 0.00 C ATOM 215 C SER A 14 22.772 27.923 17.839 1.00 0.00 C ATOM 216 O SER A 14 22.881 27.937 19.064 1.00 0.00 O ATOM 217 CB SER A 14 22.766 30.018 16.481 1.00 0.00 C ATOM 218 OG SER A 14 22.170 31.301 16.540 1.00 0.00 O ATOM 0 H SER A 14 20.939 30.507 18.090 1.00 0.00 H new ATOM 0 HA SER A 14 21.333 28.404 16.324 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.726 30.043 16.996 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.969 29.762 15.441 1.00 0.00 H new ATOM 0 HG SER A 14 22.770 31.959 16.131 1.00 0.00 H new ATOM 224 N GLN A 15 23.455 27.078 17.076 1.00 0.00 N ATOM 225 CA GLN A 15 24.537 26.206 17.499 1.00 0.00 C ATOM 226 C GLN A 15 25.825 26.695 16.887 1.00 0.00 C ATOM 227 O GLN A 15 25.932 26.914 15.674 1.00 0.00 O ATOM 228 CB GLN A 15 24.338 24.768 17.015 1.00 0.00 C ATOM 229 CG GLN A 15 23.231 23.960 17.711 1.00 0.00 C ATOM 230 CD GLN A 15 21.863 24.637 17.772 1.00 0.00 C ATOM 231 OE1 GLN A 15 21.099 24.666 16.815 1.00 0.00 O ATOM 232 NE2 GLN A 15 21.505 25.258 18.871 1.00 0.00 N ATOM 0 H GLN A 15 23.252 26.980 16.081 1.00 0.00 H new ATOM 0 HA GLN A 15 24.559 26.222 18.589 1.00 0.00 H new ATOM 0 HB2 GLN A 15 24.122 24.794 15.947 1.00 0.00 H new ATOM 0 HB3 GLN A 15 25.280 24.233 17.137 1.00 0.00 H new ATOM 0 HG2 GLN A 15 23.122 23.006 17.195 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.553 23.737 18.728 1.00 0.00 H new ATOM 0 HE21 GLN A 15 22.121 25.251 19.684 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.611 25.748 18.912 1.00 0.00 H new ATOM 241 N LYS A 16 26.822 26.786 17.751 1.00 0.00 N ATOM 242 CA LYS A 16 28.162 27.143 17.359 1.00 0.00 C ATOM 243 C LYS A 16 29.146 26.175 17.948 1.00 0.00 C ATOM 244 O LYS A 16 29.097 25.848 19.127 1.00 0.00 O ATOM 245 CB LYS A 16 28.436 28.577 17.800 1.00 0.00 C ATOM 246 CG LYS A 16 27.569 29.660 17.128 1.00 0.00 C ATOM 247 CD LYS A 16 27.946 30.001 15.683 1.00 0.00 C ATOM 248 CE LYS A 16 27.252 31.310 15.265 1.00 0.00 C ATOM 249 NZ LYS A 16 28.006 32.055 14.229 1.00 0.00 N ATOM 0 H LYS A 16 26.716 26.612 18.750 1.00 0.00 H new ATOM 0 HA LYS A 16 28.269 27.089 16.276 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.292 28.640 18.879 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.484 28.804 17.605 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.530 29.332 17.147 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.627 30.570 17.725 1.00 0.00 H new ATOM 0 HD2 LYS A 16 29.027 30.106 15.593 1.00 0.00 H new ATOM 0 HD3 LYS A 16 27.648 29.191 15.018 1.00 0.00 H new ATOM 0 HE2 LYS A 16 26.255 31.083 14.889 1.00 0.00 H new ATOM 0 HE3 LYS A 16 27.125 31.945 16.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 27.493 32.927 13.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 28.949 32.298 14.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 28.106 31.463 13.379 1.00 0.00 H new ATOM 263 N THR A 17 29.964 25.681 17.046 1.00 0.00 N ATOM 264 CA THR A 17 30.534 24.350 17.131 1.00 0.00 C ATOM 265 C THR A 17 32.018 24.444 16.777 1.00 0.00 C ATOM 266 O THR A 17 32.398 24.481 15.603 1.00 0.00 O ATOM 267 CB THR A 17 29.704 23.532 16.132 1.00 0.00 C ATOM 268 OG1 THR A 17 28.339 23.564 16.501 1.00 0.00 O ATOM 269 CG2 THR A 17 30.080 22.077 16.096 1.00 0.00 C ATOM 0 H THR A 17 30.258 26.199 16.218 1.00 0.00 H new ATOM 0 HA THR A 17 30.495 23.883 18.115 1.00 0.00 H new ATOM 0 HB THR A 17 29.895 23.984 15.159 1.00 0.00 H new ATOM 0 HG1 THR A 17 27.814 23.042 15.859 1.00 0.00 H new ATOM 0 HG21 THR A 17 29.455 21.558 15.370 1.00 0.00 H new ATOM 0 HG22 THR A 17 31.127 21.979 15.810 1.00 0.00 H new ATOM 0 HG23 THR A 17 29.931 21.638 17.083 1.00 0.00 H new ATOM 277 N TYR A 18 32.866 24.526 17.805 1.00 0.00 N ATOM 278 CA TYR A 18 34.155 25.232 17.749 1.00 0.00 C ATOM 279 C TYR A 18 35.339 24.370 18.198 1.00 0.00 C ATOM 280 O TYR A 18 35.233 23.594 19.143 1.00 0.00 O ATOM 281 CB TYR A 18 34.078 26.495 18.625 1.00 0.00 C ATOM 282 CG TYR A 18 33.216 27.660 18.131 1.00 0.00 C ATOM 283 CD1 TYR A 18 32.709 27.719 16.812 1.00 0.00 C ATOM 284 CD2 TYR A 18 32.986 28.754 18.991 1.00 0.00 C ATOM 285 CE1 TYR A 18 32.017 28.854 16.351 1.00 0.00 C ATOM 286 CE2 TYR A 18 32.297 29.890 18.526 1.00 0.00 C ATOM 287 CZ TYR A 18 31.840 29.964 17.197 1.00 0.00 C ATOM 288 OH TYR A 18 31.251 31.104 16.747 1.00 0.00 O ATOM 0 H TYR A 18 32.677 24.100 18.712 1.00 0.00 H new ATOM 0 HA TYR A 18 34.333 25.490 16.705 1.00 0.00 H new ATOM 0 HB2 TYR A 18 33.708 26.199 19.607 1.00 0.00 H new ATOM 0 HB3 TYR A 18 35.093 26.867 18.765 1.00 0.00 H new ATOM 0 HD1 TYR A 18 32.855 26.880 16.148 1.00 0.00 H new ATOM 0 HD2 TYR A 18 33.340 28.720 20.011 1.00 0.00 H new ATOM 0 HE1 TYR A 18 31.621 28.873 15.346 1.00 0.00 H new ATOM 0 HE2 TYR A 18 32.117 30.716 19.198 1.00 0.00 H new ATOM 0 HH TYR A 18 31.214 31.762 17.473 1.00 0.00 H new ATOM 298 N GLU A 19 36.489 24.530 17.545 1.00 0.00 N ATOM 299 CA GLU A 19 37.655 23.642 17.676 1.00 0.00 C ATOM 300 C GLU A 19 38.652 24.130 18.747 1.00 0.00 C ATOM 301 O GLU A 19 39.299 25.169 18.585 1.00 0.00 O ATOM 302 CB GLU A 19 38.300 23.495 16.285 1.00 0.00 C ATOM 303 CG GLU A 19 37.422 22.636 15.359 1.00 0.00 C ATOM 304 CD GLU A 19 38.007 22.543 13.948 1.00 0.00 C ATOM 305 OE1 GLU A 19 37.753 23.463 13.129 1.00 0.00 O ATOM 306 OE2 GLU A 19 38.716 21.549 13.654 1.00 0.00 O ATOM 0 H GLU A 19 36.645 25.298 16.893 1.00 0.00 H new ATOM 0 HA GLU A 19 37.331 22.663 18.030 1.00 0.00 H new ATOM 0 HB2 GLU A 19 38.447 24.480 15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 19 39.285 23.040 16.383 1.00 0.00 H new ATOM 0 HG2 GLU A 19 37.322 21.635 15.778 1.00 0.00 H new ATOM 0 HG3 GLU A 19 36.420 23.062 15.310 1.00 0.00 H new ATOM 313 N VAL A 20 38.784 23.379 19.850 1.00 0.00 N ATOM 314 CA VAL A 20 39.575 23.716 21.053 1.00 0.00 C ATOM 315 C VAL A 20 40.430 22.539 21.552 1.00 0.00 C ATOM 316 O VAL A 20 40.354 21.426 21.034 1.00 0.00 O ATOM 317 CB VAL A 20 38.637 24.212 22.178 1.00 0.00 C ATOM 318 CG1 VAL A 20 37.804 25.426 21.749 1.00 0.00 C ATOM 319 CG2 VAL A 20 37.688 23.116 22.690 1.00 0.00 C ATOM 0 H VAL A 20 38.321 22.474 19.936 1.00 0.00 H new ATOM 0 HA VAL A 20 40.267 24.510 20.772 1.00 0.00 H new ATOM 0 HB VAL A 20 39.304 24.503 22.990 1.00 0.00 H new ATOM 0 HG11 VAL A 20 37.162 25.736 22.573 1.00 0.00 H new ATOM 0 HG12 VAL A 20 38.469 26.246 21.478 1.00 0.00 H new ATOM 0 HG13 VAL A 20 37.188 25.160 20.890 1.00 0.00 H new ATOM 0 HG21 VAL A 20 37.054 23.523 23.478 1.00 0.00 H new ATOM 0 HG22 VAL A 20 37.064 22.762 21.869 1.00 0.00 H new ATOM 0 HG23 VAL A 20 38.272 22.285 23.086 1.00 0.00 H new ATOM 329 N CYS A 21 41.229 22.777 22.589 1.00 0.00 N ATOM 330 CA CYS A 21 42.064 21.791 23.278 1.00 0.00 C ATOM 331 C CYS A 21 41.716 21.662 24.778 1.00 0.00 C ATOM 332 O CYS A 21 40.898 22.415 25.305 1.00 0.00 O ATOM 333 CB CYS A 21 43.511 22.240 23.078 1.00 0.00 C ATOM 334 SG CYS A 21 44.138 21.667 21.472 1.00 0.00 S ATOM 0 H CYS A 21 41.318 23.709 22.994 1.00 0.00 H new ATOM 0 HA CYS A 21 41.894 20.798 22.863 1.00 0.00 H new ATOM 0 HB2 CYS A 21 43.572 23.327 23.132 1.00 0.00 H new ATOM 0 HB3 CYS A 21 44.135 21.846 23.880 1.00 0.00 H new ATOM 0 HG CYS A 21 45.368 22.061 21.321 1.00 0.00 H new ATOM 340 N GLU A 22 42.330 20.706 25.487 1.00 0.00 N ATOM 341 CA GLU A 22 42.111 20.533 26.933 1.00 0.00 C ATOM 342 C GLU A 22 42.586 21.719 27.802 1.00 0.00 C ATOM 343 O GLU A 22 43.446 22.513 27.404 1.00 0.00 O ATOM 344 CB GLU A 22 42.587 19.170 27.440 1.00 0.00 C ATOM 345 CG GLU A 22 44.075 18.864 27.335 1.00 0.00 C ATOM 346 CD GLU A 22 44.992 19.812 28.120 1.00 0.00 C ATOM 347 OE1 GLU A 22 44.753 20.073 29.325 1.00 0.00 O ATOM 348 OE2 GLU A 22 46.004 20.283 27.546 1.00 0.00 O ATOM 0 H GLU A 22 42.985 20.037 25.083 1.00 0.00 H new ATOM 0 HA GLU A 22 41.028 20.541 27.057 1.00 0.00 H new ATOM 0 HB2 GLU A 22 42.298 19.080 28.487 1.00 0.00 H new ATOM 0 HB3 GLU A 22 42.045 18.399 26.892 1.00 0.00 H new ATOM 0 HG2 GLU A 22 44.246 17.846 27.685 1.00 0.00 H new ATOM 0 HG3 GLU A 22 44.363 18.893 26.284 1.00 0.00 H new ATOM 355 N GLY A 23 42.017 21.857 29.001 1.00 0.00 N ATOM 356 CA GLY A 23 42.290 22.935 29.954 1.00 0.00 C ATOM 357 C GLY A 23 41.547 24.242 29.665 1.00 0.00 C ATOM 358 O GLY A 23 41.405 25.060 30.571 1.00 0.00 O ATOM 0 H GLY A 23 41.325 21.194 29.349 1.00 0.00 H new ATOM 0 HA2 GLY A 23 42.024 22.594 30.955 1.00 0.00 H new ATOM 0 HA3 GLY A 23 43.362 23.135 29.960 1.00 0.00 H new ATOM 362 N GLU A 24 41.025 24.428 28.452 1.00 0.00 N ATOM 363 CA GLU A 24 40.213 25.591 28.073 1.00 0.00 C ATOM 364 C GLU A 24 38.895 25.628 28.873 1.00 0.00 C ATOM 365 O GLU A 24 38.263 24.594 29.112 1.00 0.00 O ATOM 366 CB GLU A 24 39.959 25.574 26.552 1.00 0.00 C ATOM 367 CG GLU A 24 41.227 25.590 25.685 1.00 0.00 C ATOM 368 CD GLU A 24 41.779 27.003 25.472 1.00 0.00 C ATOM 369 OE1 GLU A 24 42.283 27.611 26.452 1.00 0.00 O ATOM 370 OE2 GLU A 24 41.729 27.514 24.327 1.00 0.00 O ATOM 0 H GLU A 24 41.156 23.764 27.689 1.00 0.00 H new ATOM 0 HA GLU A 24 40.758 26.502 28.318 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.379 24.685 26.305 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.347 26.437 26.291 1.00 0.00 H new ATOM 0 HG2 GLU A 24 41.992 24.973 26.156 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.006 25.141 24.717 1.00 0.00 H new ATOM 377 N THR A 25 38.474 26.815 29.306 1.00 0.00 N ATOM 378 CA THR A 25 37.380 27.005 30.278 1.00 0.00 C ATOM 379 C THR A 25 36.117 27.476 29.557 1.00 0.00 C ATOM 380 O THR A 25 36.192 28.191 28.569 1.00 0.00 O ATOM 381 CB THR A 25 37.885 27.947 31.369 1.00 0.00 C ATOM 382 OG1 THR A 25 38.956 27.339 32.058 1.00 0.00 O ATOM 383 CG2 THR A 25 36.834 28.294 32.390 1.00 0.00 C ATOM 0 H THR A 25 38.886 27.693 28.990 1.00 0.00 H new ATOM 0 HA THR A 25 37.092 26.073 30.765 1.00 0.00 H new ATOM 0 HB THR A 25 38.187 28.863 30.862 1.00 0.00 H new ATOM 0 HG1 THR A 25 39.281 27.944 32.757 1.00 0.00 H new ATOM 0 HG21 THR A 25 37.259 28.966 33.136 1.00 0.00 H new ATOM 0 HG22 THR A 25 35.995 28.784 31.896 1.00 0.00 H new ATOM 0 HG23 THR A 25 36.486 27.384 32.878 1.00 0.00 H new ATOM 391 N ILE A 26 34.924 27.078 30.000 1.00 0.00 N ATOM 392 CA ILE A 26 33.697 27.198 29.178 1.00 0.00 C ATOM 393 C ILE A 26 33.309 28.661 28.942 1.00 0.00 C ATOM 394 O ILE A 26 33.040 29.033 27.799 1.00 0.00 O ATOM 395 CB ILE A 26 32.551 26.348 29.765 1.00 0.00 C ATOM 396 CG1 ILE A 26 32.780 24.843 29.495 1.00 0.00 C ATOM 397 CG2 ILE A 26 31.196 26.710 29.139 1.00 0.00 C ATOM 398 CD1 ILE A 26 33.814 24.182 30.411 1.00 0.00 C ATOM 0 H ILE A 26 34.771 26.669 30.922 1.00 0.00 H new ATOM 0 HA ILE A 26 33.909 26.789 28.190 1.00 0.00 H new ATOM 0 HB ILE A 26 32.541 26.556 30.835 1.00 0.00 H new ATOM 0 HG12 ILE A 26 31.830 24.319 29.603 1.00 0.00 H new ATOM 0 HG13 ILE A 26 33.097 24.717 28.460 1.00 0.00 H new ATOM 0 HG21 ILE A 26 30.415 26.090 29.579 1.00 0.00 H new ATOM 0 HG22 ILE A 26 30.976 27.760 29.330 1.00 0.00 H new ATOM 0 HG23 ILE A 26 31.234 26.537 28.063 1.00 0.00 H new ATOM 0 HD11 ILE A 26 33.910 23.128 30.150 1.00 0.00 H new ATOM 0 HD12 ILE A 26 34.778 24.676 30.287 1.00 0.00 H new ATOM 0 HD13 ILE A 26 33.491 24.271 31.448 1.00 0.00 H new ATOM 410 N LEU A 27 33.340 29.504 29.978 1.00 0.00 N ATOM 411 CA LEU A 27 33.106 30.941 29.792 1.00 0.00 C ATOM 412 C LEU A 27 34.303 31.651 29.122 1.00 0.00 C ATOM 413 O LEU A 27 34.096 32.615 28.388 1.00 0.00 O ATOM 414 CB LEU A 27 32.589 31.584 31.091 1.00 0.00 C ATOM 415 CG LEU A 27 31.063 31.835 31.123 1.00 0.00 C ATOM 416 CD1 LEU A 27 30.679 33.042 30.259 1.00 0.00 C ATOM 417 CD2 LEU A 27 30.200 30.648 30.676 1.00 0.00 C ATOM 0 H LEU A 27 33.522 29.223 30.942 1.00 0.00 H new ATOM 0 HA LEU A 27 32.301 31.078 29.070 1.00 0.00 H new ATOM 0 HB2 LEU A 27 32.856 30.941 31.930 1.00 0.00 H new ATOM 0 HB3 LEU A 27 33.103 32.533 31.241 1.00 0.00 H new ATOM 0 HG LEU A 27 30.854 32.014 32.178 1.00 0.00 H new ATOM 0 HD11 LEU A 27 29.600 33.192 30.302 1.00 0.00 H new ATOM 0 HD12 LEU A 27 31.185 33.932 30.633 1.00 0.00 H new ATOM 0 HD13 LEU A 27 30.979 32.861 29.227 1.00 0.00 H new ATOM 0 HD21 LEU A 27 29.147 30.922 30.733 1.00 0.00 H new ATOM 0 HD22 LEU A 27 30.450 30.382 29.649 1.00 0.00 H new ATOM 0 HD23 LEU A 27 30.389 29.795 31.328 1.00 0.00 H new ATOM 429 N ASP A 28 35.523 31.112 29.239 1.00 0.00 N ATOM 430 CA ASP A 28 36.696 31.570 28.480 1.00 0.00 C ATOM 431 C ASP A 28 36.656 31.202 26.991 1.00 0.00 C ATOM 432 O ASP A 28 37.224 31.945 26.196 1.00 0.00 O ATOM 433 CB ASP A 28 37.997 31.014 29.065 1.00 0.00 C ATOM 434 CG ASP A 28 38.350 31.630 30.422 1.00 0.00 C ATOM 435 OD1 ASP A 28 37.684 31.310 31.429 1.00 0.00 O ATOM 436 OD2 ASP A 28 39.330 32.416 30.490 1.00 0.00 O ATOM 0 H ASP A 28 35.727 30.337 29.870 1.00 0.00 H new ATOM 0 HA ASP A 28 36.665 32.656 28.566 1.00 0.00 H new ATOM 0 HB2 ASP A 28 37.908 29.933 29.174 1.00 0.00 H new ATOM 0 HB3 ASP A 28 38.812 31.198 28.365 1.00 0.00 H new ATOM 441 N ILE A 29 36.017 30.104 26.567 1.00 0.00 N ATOM 442 CA ILE A 29 35.783 29.828 25.136 1.00 0.00 C ATOM 443 C ILE A 29 34.600 30.670 24.659 1.00 0.00 C ATOM 444 O ILE A 29 34.661 31.237 23.574 1.00 0.00 O ATOM 445 CB ILE A 29 35.635 28.322 24.775 1.00 0.00 C ATOM 446 CG1 ILE A 29 36.745 27.426 25.387 1.00 0.00 C ATOM 447 CG2 ILE A 29 35.813 28.239 23.242 1.00 0.00 C ATOM 448 CD1 ILE A 29 36.278 25.994 25.668 1.00 0.00 C ATOM 0 H ILE A 29 35.650 29.388 27.194 1.00 0.00 H new ATOM 0 HA ILE A 29 36.684 30.120 24.597 1.00 0.00 H new ATOM 0 HB ILE A 29 34.675 27.972 25.154 1.00 0.00 H new ATOM 0 HG12 ILE A 29 37.596 27.397 24.706 1.00 0.00 H new ATOM 0 HG13 ILE A 29 37.095 27.876 26.316 1.00 0.00 H new ATOM 0 HG21 ILE A 29 35.720 27.202 22.921 1.00 0.00 H new ATOM 0 HG22 ILE A 29 35.046 28.840 22.754 1.00 0.00 H new ATOM 0 HG23 ILE A 29 36.799 28.616 22.969 1.00 0.00 H new ATOM 0 HD11 ILE A 29 37.101 25.420 26.095 1.00 0.00 H new ATOM 0 HD12 ILE A 29 35.446 26.014 26.372 1.00 0.00 H new ATOM 0 HD13 ILE A 29 35.955 25.528 24.737 1.00 0.00 H new ATOM 460 N ALA A 30 33.562 30.865 25.475 1.00 0.00 N ATOM 461 CA ALA A 30 32.424 31.677 25.063 1.00 0.00 C ATOM 462 C ALA A 30 32.813 33.145 24.807 1.00 0.00 C ATOM 463 O ALA A 30 32.510 33.690 23.744 1.00 0.00 O ATOM 464 CB ALA A 30 31.312 31.527 26.106 1.00 0.00 C ATOM 0 H ALA A 30 33.489 30.475 26.415 1.00 0.00 H new ATOM 0 HA ALA A 30 32.054 31.318 24.103 1.00 0.00 H new ATOM 0 HB1 ALA A 30 30.453 32.130 25.811 1.00 0.00 H new ATOM 0 HB2 ALA A 30 31.015 30.480 26.173 1.00 0.00 H new ATOM 0 HB3 ALA A 30 31.676 31.864 27.077 1.00 0.00 H new ATOM 470 N GLN A 31 33.555 33.759 25.732 1.00 0.00 N ATOM 471 CA GLN A 31 34.169 35.069 25.517 1.00 0.00 C ATOM 472 C GLN A 31 35.359 35.006 24.575 1.00 0.00 C ATOM 473 O GLN A 31 35.371 35.783 23.640 1.00 0.00 O ATOM 474 CB GLN A 31 34.509 35.730 26.850 1.00 0.00 C ATOM 475 CG GLN A 31 33.225 36.155 27.590 1.00 0.00 C ATOM 476 CD GLN A 31 33.321 37.579 28.108 1.00 0.00 C ATOM 477 OE1 GLN A 31 33.063 38.546 27.400 1.00 0.00 O ATOM 478 NE2 GLN A 31 33.717 37.778 29.338 1.00 0.00 N ATOM 0 H GLN A 31 33.746 33.361 26.651 1.00 0.00 H new ATOM 0 HA GLN A 31 33.435 35.700 25.016 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.080 35.038 27.470 1.00 0.00 H new ATOM 0 HB3 GLN A 31 35.141 36.601 26.679 1.00 0.00 H new ATOM 0 HG2 GLN A 31 32.372 36.069 26.917 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.043 35.476 28.423 1.00 0.00 H new ATOM 0 HE21 GLN A 31 33.935 36.983 29.939 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.808 38.728 29.697 1.00 0.00 H new ATOM 487 N GLY A 32 36.311 34.086 24.691 1.00 0.00 N ATOM 488 CA GLY A 32 37.480 34.086 23.802 1.00 0.00 C ATOM 489 C GLY A 32 37.176 33.827 22.324 1.00 0.00 C ATOM 490 O GLY A 32 37.878 34.355 21.457 1.00 0.00 O ATOM 0 H GLY A 32 36.302 33.336 25.382 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.983 35.049 23.889 1.00 0.00 H new ATOM 0 HA3 GLY A 32 38.181 33.328 24.150 1.00 0.00 H new ATOM 494 N HIS A 33 36.094 33.109 22.011 1.00 0.00 N ATOM 495 CA HIS A 33 35.600 32.939 20.640 1.00 0.00 C ATOM 496 C HIS A 33 34.606 34.031 20.214 1.00 0.00 C ATOM 497 O HIS A 33 34.114 34.030 19.085 1.00 0.00 O ATOM 498 CB HIS A 33 35.034 31.526 20.476 1.00 0.00 C ATOM 499 CG HIS A 33 35.484 30.895 19.180 1.00 0.00 C ATOM 500 ND1 HIS A 33 35.029 31.165 17.918 1.00 0.00 N flip ATOM 501 CD2 HIS A 33 36.532 30.015 19.047 1.00 0.00 C flip ATOM 502 CE1 HIS A 33 35.805 30.433 17.008 1.00 0.00 C flip ATOM 503 NE2 HIS A 33 36.697 29.747 17.744 1.00 0.00 N flip ATOM 0 H HIS A 33 35.530 32.624 22.709 1.00 0.00 H new ATOM 0 HA HIS A 33 36.442 33.059 19.958 1.00 0.00 H new ATOM 0 HB2 HIS A 33 35.353 30.906 21.314 1.00 0.00 H new ATOM 0 HB3 HIS A 33 33.945 31.564 20.504 1.00 0.00 H new ATOM 0 HD2 HIS A 33 37.122 29.609 19.855 1.00 0.00 H new ATOM 0 HE1 HIS A 33 35.706 30.422 15.933 1.00 0.00 H new ATOM 0 HE2 HIS A 33 37.400 29.113 17.365 1.00 0.00 H new ATOM 511 N ASN A 34 34.315 34.959 21.130 1.00 0.00 N ATOM 512 CA ASN A 34 33.394 36.081 20.982 1.00 0.00 C ATOM 513 C ASN A 34 32.014 35.648 20.456 1.00 0.00 C ATOM 514 O ASN A 34 31.431 36.291 19.574 1.00 0.00 O ATOM 515 CB ASN A 34 34.091 37.234 20.232 1.00 0.00 C ATOM 516 CG ASN A 34 35.398 37.698 20.874 1.00 0.00 C ATOM 517 OD1 ASN A 34 35.422 37.929 22.166 1.00 0.00 O flip ATOM 518 ND2 ASN A 34 36.422 37.872 20.230 1.00 0.00 N flip ATOM 0 H ASN A 34 34.747 34.942 22.054 1.00 0.00 H new ATOM 0 HA ASN A 34 33.143 36.489 21.961 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.294 36.917 19.209 1.00 0.00 H new ATOM 0 HB3 ASN A 34 33.407 38.081 20.174 1.00 0.00 H new ATOM 0 HD21 ASN A 34 36.428 37.699 19.225 1.00 0.00 H new ATOM 0 HD22 ASN A 34 37.271 38.190 20.698 1.00 0.00 H new ATOM 525 N LEU A 35 31.475 34.582 21.065 1.00 0.00 N ATOM 526 CA LEU A 35 30.133 34.050 20.769 1.00 0.00 C ATOM 527 C LEU A 35 29.071 35.153 20.892 1.00 0.00 C ATOM 528 O LEU A 35 29.137 36.006 21.781 1.00 0.00 O ATOM 529 CB LEU A 35 29.768 32.936 21.790 1.00 0.00 C ATOM 530 CG LEU A 35 30.351 31.540 21.482 1.00 0.00 C ATOM 531 CD1 LEU A 35 30.096 30.523 22.606 1.00 0.00 C ATOM 532 CD2 LEU A 35 29.721 30.955 20.223 1.00 0.00 C ATOM 0 H LEU A 35 31.965 34.056 21.788 1.00 0.00 H new ATOM 0 HA LEU A 35 30.150 33.657 19.752 1.00 0.00 H new ATOM 0 HB2 LEU A 35 30.111 33.245 22.777 1.00 0.00 H new ATOM 0 HB3 LEU A 35 28.682 32.855 21.841 1.00 0.00 H new ATOM 0 HG LEU A 35 31.423 31.698 21.364 1.00 0.00 H new ATOM 0 HD11 LEU A 35 30.529 29.561 22.332 1.00 0.00 H new ATOM 0 HD12 LEU A 35 30.555 30.878 23.529 1.00 0.00 H new ATOM 0 HD13 LEU A 35 29.023 30.408 22.756 1.00 0.00 H new ATOM 0 HD21 LEU A 35 30.147 29.971 20.026 1.00 0.00 H new ATOM 0 HD22 LEU A 35 28.644 30.862 20.364 1.00 0.00 H new ATOM 0 HD23 LEU A 35 29.920 31.613 19.377 1.00 0.00 H new ATOM 544 N ASP A 36 28.065 35.116 20.018 1.00 0.00 N ATOM 545 CA ASP A 36 26.869 35.965 20.083 1.00 0.00 C ATOM 546 C ASP A 36 25.947 35.465 21.179 1.00 0.00 C ATOM 547 O ASP A 36 24.930 34.803 20.980 1.00 0.00 O ATOM 548 CB ASP A 36 26.217 36.049 18.702 1.00 0.00 C ATOM 549 CG ASP A 36 25.008 36.984 18.665 1.00 0.00 C ATOM 550 OD1 ASP A 36 25.149 38.191 18.983 1.00 0.00 O ATOM 551 OD2 ASP A 36 23.907 36.542 18.256 1.00 0.00 O ATOM 0 H ASP A 36 28.057 34.478 19.222 1.00 0.00 H new ATOM 0 HA ASP A 36 27.132 36.988 20.352 1.00 0.00 H new ATOM 0 HB2 ASP A 36 26.956 36.392 17.978 1.00 0.00 H new ATOM 0 HB3 ASP A 36 25.907 35.051 18.392 1.00 0.00 H new ATOM 556 N MET A 37 26.405 35.758 22.380 1.00 0.00 N ATOM 557 CA MET A 37 25.906 35.260 23.631 1.00 0.00 C ATOM 558 C MET A 37 26.111 36.376 24.656 1.00 0.00 C ATOM 559 O MET A 37 27.145 37.047 24.702 1.00 0.00 O ATOM 560 CB MET A 37 26.607 33.920 23.908 1.00 0.00 C ATOM 561 CG MET A 37 28.017 34.035 24.491 1.00 0.00 C ATOM 562 SD MET A 37 28.116 34.291 26.280 1.00 0.00 S ATOM 563 CE MET A 37 29.781 34.995 26.375 1.00 0.00 C ATOM 0 H MET A 37 27.191 36.396 22.508 1.00 0.00 H new ATOM 0 HA MET A 37 24.841 35.027 23.654 1.00 0.00 H new ATOM 0 HB2 MET A 37 25.992 33.341 24.597 1.00 0.00 H new ATOM 0 HB3 MET A 37 26.660 33.356 22.977 1.00 0.00 H new ATOM 0 HG2 MET A 37 28.567 33.127 24.243 1.00 0.00 H new ATOM 0 HG3 MET A 37 28.527 34.862 23.997 1.00 0.00 H new ATOM 0 HE1 MET A 37 30.169 34.877 27.387 1.00 0.00 H new ATOM 0 HE2 MET A 37 30.435 34.478 25.673 1.00 0.00 H new ATOM 0 HE3 MET A 37 29.743 36.055 26.123 1.00 0.00 H new ATOM 573 N GLU A 38 25.060 36.678 25.395 1.00 0.00 N ATOM 574 CA GLU A 38 25.101 37.595 26.536 1.00 0.00 C ATOM 575 C GLU A 38 25.762 36.862 27.717 1.00 0.00 C ATOM 576 O GLU A 38 25.168 35.928 28.263 1.00 0.00 O ATOM 577 CB GLU A 38 23.670 38.066 26.863 1.00 0.00 C ATOM 578 CG GLU A 38 22.991 38.874 25.742 1.00 0.00 C ATOM 579 CD GLU A 38 23.634 40.248 25.526 1.00 0.00 C ATOM 580 OE1 GLU A 38 24.604 40.351 24.734 1.00 0.00 O ATOM 581 OE2 GLU A 38 23.158 41.244 26.121 1.00 0.00 O ATOM 0 H GLU A 38 24.133 36.289 25.222 1.00 0.00 H new ATOM 0 HA GLU A 38 25.689 38.485 26.312 1.00 0.00 H new ATOM 0 HB2 GLU A 38 23.056 37.193 27.087 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.699 38.676 27.766 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.037 38.306 24.813 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.936 39.006 25.983 1.00 0.00 H new ATOM 588 N GLY A 39 27.008 37.218 28.056 1.00 0.00 N ATOM 589 CA GLY A 39 27.764 36.600 29.154 1.00 0.00 C ATOM 590 C GLY A 39 29.085 37.317 29.468 1.00 0.00 C ATOM 591 O GLY A 39 30.028 37.257 28.682 1.00 0.00 O ATOM 0 H GLY A 39 27.525 37.951 27.571 1.00 0.00 H new ATOM 0 HA2 GLY A 39 27.144 36.589 30.050 1.00 0.00 H new ATOM 0 HA3 GLY A 39 27.975 35.561 28.900 1.00 0.00 H new ATOM 595 N ALA A 40 29.178 37.975 30.626 1.00 0.00 N ATOM 596 CA ALA A 40 30.347 38.773 31.032 1.00 0.00 C ATOM 597 C ALA A 40 31.472 37.987 31.756 1.00 0.00 C ATOM 598 O ALA A 40 32.487 38.572 32.136 1.00 0.00 O ATOM 599 CB ALA A 40 29.829 39.952 31.864 1.00 0.00 C ATOM 0 H ALA A 40 28.433 37.971 31.322 1.00 0.00 H new ATOM 0 HA ALA A 40 30.848 39.118 30.128 1.00 0.00 H new ATOM 0 HB1 ALA A 40 30.669 40.568 32.184 1.00 0.00 H new ATOM 0 HB2 ALA A 40 29.148 40.552 31.260 1.00 0.00 H new ATOM 0 HB3 ALA A 40 29.301 39.575 32.740 1.00 0.00 H new ATOM 605 N CYS A 41 31.282 36.683 31.977 1.00 0.00 N ATOM 606 CA CYS A 41 32.089 35.853 32.880 1.00 0.00 C ATOM 607 C CYS A 41 33.389 35.276 32.268 1.00 0.00 C ATOM 608 O CYS A 41 33.788 35.636 31.163 1.00 0.00 O ATOM 609 CB CYS A 41 31.169 34.775 33.472 1.00 0.00 C ATOM 610 SG CYS A 41 31.019 34.806 35.263 1.00 0.00 S ATOM 0 H CYS A 41 30.538 36.158 31.518 1.00 0.00 H new ATOM 0 HA CYS A 41 32.479 36.496 33.669 1.00 0.00 H new ATOM 0 HB2 CYS A 41 30.176 34.887 33.037 1.00 0.00 H new ATOM 0 HB3 CYS A 41 31.540 33.796 33.170 1.00 0.00 H new ATOM 615 N GLY A 42 34.047 34.354 32.985 1.00 0.00 N ATOM 616 CA GLY A 42 35.329 33.730 32.615 1.00 0.00 C ATOM 617 C GLY A 42 36.465 33.969 33.618 1.00 0.00 C ATOM 618 O GLY A 42 37.611 34.184 33.219 1.00 0.00 O ATOM 0 H GLY A 42 33.688 34.007 33.875 1.00 0.00 H new ATOM 0 HA2 GLY A 42 35.178 32.656 32.505 1.00 0.00 H new ATOM 0 HA3 GLY A 42 35.636 34.110 31.640 1.00 0.00 H new ATOM 622 N GLY A 43 36.169 33.968 34.925 1.00 0.00 N ATOM 623 CA GLY A 43 37.185 34.088 35.984 1.00 0.00 C ATOM 624 C GLY A 43 37.884 35.450 35.975 1.00 0.00 C ATOM 625 O GLY A 43 39.097 35.526 35.772 1.00 0.00 O ATOM 0 H GLY A 43 35.217 33.884 35.280 1.00 0.00 H new ATOM 0 HA2 GLY A 43 36.714 33.932 36.954 1.00 0.00 H new ATOM 0 HA3 GLY A 43 37.929 33.301 35.860 1.00 0.00 H new ATOM 629 N SER A 44 37.112 36.537 36.024 1.00 0.00 N ATOM 630 CA SER A 44 37.595 37.907 35.770 1.00 0.00 C ATOM 631 C SER A 44 36.830 38.955 36.587 1.00 0.00 C ATOM 632 O SER A 44 35.801 38.649 37.190 1.00 0.00 O ATOM 633 CB SER A 44 37.479 38.194 34.268 1.00 0.00 C ATOM 634 OG SER A 44 38.523 37.524 33.587 1.00 0.00 O ATOM 0 H SER A 44 36.117 36.496 36.244 1.00 0.00 H new ATOM 0 HA SER A 44 38.636 37.974 36.087 1.00 0.00 H new ATOM 0 HB2 SER A 44 36.511 37.859 33.895 1.00 0.00 H new ATOM 0 HB3 SER A 44 37.538 39.267 34.084 1.00 0.00 H new ATOM 0 HG SER A 44 38.210 37.247 32.700 1.00 0.00 H new ATOM 640 N CYS A 45 37.289 40.208 36.605 1.00 0.00 N ATOM 641 CA CYS A 45 36.635 41.294 37.349 1.00 0.00 C ATOM 642 C CYS A 45 35.201 41.609 36.862 1.00 0.00 C ATOM 643 O CYS A 45 34.381 42.095 37.645 1.00 0.00 O ATOM 644 CB CYS A 45 37.546 42.525 37.307 1.00 0.00 C ATOM 645 SG CYS A 45 38.896 42.310 38.507 1.00 0.00 S ATOM 0 H CYS A 45 38.127 40.502 36.103 1.00 0.00 H new ATOM 0 HA CYS A 45 36.498 40.968 38.380 1.00 0.00 H new ATOM 0 HB2 CYS A 45 37.952 42.658 36.304 1.00 0.00 H new ATOM 0 HB3 CYS A 45 36.975 43.423 37.541 1.00 0.00 H new ATOM 0 HG CYS A 45 39.675 43.350 38.475 1.00 0.00 H new ATOM 651 N ALA A 46 34.856 41.255 35.619 1.00 0.00 N ATOM 652 CA ALA A 46 33.501 41.349 35.068 1.00 0.00 C ATOM 653 C ALA A 46 32.573 40.146 35.390 1.00 0.00 C ATOM 654 O ALA A 46 31.458 40.105 34.863 1.00 0.00 O ATOM 655 CB ALA A 46 33.619 41.611 33.561 1.00 0.00 C ATOM 0 H ALA A 46 35.531 40.885 34.950 1.00 0.00 H new ATOM 0 HA ALA A 46 32.999 42.180 35.564 1.00 0.00 H new ATOM 0 HB1 ALA A 46 32.623 41.685 33.126 1.00 0.00 H new ATOM 0 HB2 ALA A 46 34.158 42.544 33.395 1.00 0.00 H new ATOM 0 HB3 ALA A 46 34.160 40.790 33.090 1.00 0.00 H new ATOM 661 N CYS A 47 33.005 39.189 36.230 1.00 0.00 N ATOM 662 CA CYS A 47 32.278 37.948 36.552 1.00 0.00 C ATOM 663 C CYS A 47 30.801 38.137 36.965 1.00 0.00 C ATOM 664 O CYS A 47 30.379 39.185 37.459 1.00 0.00 O ATOM 665 CB CYS A 47 33.045 37.130 37.604 1.00 0.00 C ATOM 666 SG CYS A 47 33.971 35.689 37.016 1.00 0.00 S ATOM 0 H CYS A 47 33.897 39.260 36.719 1.00 0.00 H new ATOM 0 HA CYS A 47 32.232 37.395 35.614 1.00 0.00 H new ATOM 0 HB2 CYS A 47 33.743 37.798 38.108 1.00 0.00 H new ATOM 0 HB3 CYS A 47 32.331 36.790 38.354 1.00 0.00 H new ATOM 671 N SER A 48 30.019 37.088 36.719 1.00 0.00 N ATOM 672 CA SER A 48 28.600 37.143 36.360 1.00 0.00 C ATOM 673 C SER A 48 27.842 35.886 36.847 1.00 0.00 C ATOM 674 O SER A 48 28.245 35.215 37.801 1.00 0.00 O ATOM 675 CB SER A 48 28.556 37.297 34.832 1.00 0.00 C ATOM 676 OG SER A 48 27.276 37.692 34.378 1.00 0.00 O ATOM 0 H SER A 48 30.372 36.132 36.766 1.00 0.00 H new ATOM 0 HA SER A 48 28.098 37.980 36.845 1.00 0.00 H new ATOM 0 HB2 SER A 48 29.295 38.035 34.520 1.00 0.00 H new ATOM 0 HB3 SER A 48 28.832 36.352 34.364 1.00 0.00 H new ATOM 0 HG SER A 48 27.288 37.781 33.402 1.00 0.00 H new ATOM 682 N THR A 49 26.698 35.576 36.232 1.00 0.00 N ATOM 683 CA THR A 49 25.874 34.368 36.461 1.00 0.00 C ATOM 684 C THR A 49 26.580 33.023 36.227 1.00 0.00 C ATOM 685 O THR A 49 26.040 31.996 36.634 1.00 0.00 O ATOM 686 CB THR A 49 24.636 34.392 35.549 1.00 0.00 C ATOM 687 OG1 THR A 49 25.047 34.472 34.201 1.00 0.00 O ATOM 688 CG2 THR A 49 23.718 35.582 35.825 1.00 0.00 C ATOM 0 H THR A 49 26.293 36.187 35.523 1.00 0.00 H new ATOM 0 HA THR A 49 25.625 34.419 37.521 1.00 0.00 H new ATOM 0 HB THR A 49 24.082 33.475 35.752 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.284 34.287 33.615 1.00 0.00 H new ATOM 0 HG21 THR A 49 22.862 35.545 35.151 1.00 0.00 H new ATOM 0 HG22 THR A 49 23.369 35.541 36.857 1.00 0.00 H new ATOM 0 HG23 THR A 49 24.267 36.510 35.664 1.00 0.00 H new ATOM 696 N CYS A 50 27.751 32.994 35.570 1.00 0.00 N ATOM 697 CA CYS A 50 28.526 31.780 35.260 1.00 0.00 C ATOM 698 C CYS A 50 27.739 30.658 34.536 1.00 0.00 C ATOM 699 O CYS A 50 28.096 29.483 34.598 1.00 0.00 O ATOM 700 CB CYS A 50 29.208 31.309 36.549 1.00 0.00 C ATOM 701 SG CYS A 50 30.582 30.152 36.400 1.00 0.00 S ATOM 0 H CYS A 50 28.200 33.844 35.228 1.00 0.00 H new ATOM 0 HA CYS A 50 29.277 32.044 34.515 1.00 0.00 H new ATOM 0 HB2 CYS A 50 29.569 32.191 37.078 1.00 0.00 H new ATOM 0 HB3 CYS A 50 28.449 30.847 37.180 1.00 0.00 H new ATOM 706 N HIS A 51 26.641 30.991 33.849 1.00 0.00 N ATOM 707 CA HIS A 51 25.547 30.036 33.669 1.00 0.00 C ATOM 708 C HIS A 51 25.639 29.248 32.353 1.00 0.00 C ATOM 709 O HIS A 51 25.555 29.807 31.260 1.00 0.00 O ATOM 710 CB HIS A 51 24.215 30.792 33.796 1.00 0.00 C ATOM 711 CG HIS A 51 23.007 29.891 33.829 1.00 0.00 C ATOM 712 ND1 HIS A 51 22.516 29.235 34.937 1.00 0.00 N ATOM 713 CD2 HIS A 51 22.176 29.592 32.782 1.00 0.00 C ATOM 714 CE1 HIS A 51 21.418 28.557 34.566 1.00 0.00 C ATOM 715 NE2 HIS A 51 21.165 28.748 33.260 1.00 0.00 N ATOM 0 H HIS A 51 26.489 31.901 33.415 1.00 0.00 H new ATOM 0 HA HIS A 51 25.618 29.278 34.449 1.00 0.00 H new ATOM 0 HB2 HIS A 51 24.234 31.393 34.705 1.00 0.00 H new ATOM 0 HB3 HIS A 51 24.119 31.483 32.959 1.00 0.00 H new ATOM 0 HD2 HIS A 51 22.282 29.945 31.767 1.00 0.00 H new ATOM 0 HE1 HIS A 51 20.821 27.944 35.225 1.00 0.00 H new ATOM 0 HE2 HIS A 51 20.391 28.356 32.723 1.00 0.00 H new ATOM 723 N VAL A 52 25.736 27.923 32.480 1.00 0.00 N ATOM 724 CA VAL A 52 25.534 26.935 31.409 1.00 0.00 C ATOM 725 C VAL A 52 24.593 25.829 31.861 1.00 0.00 C ATOM 726 O VAL A 52 24.375 25.590 33.049 1.00 0.00 O ATOM 727 CB VAL A 52 26.847 26.275 30.913 1.00 0.00 C ATOM 728 CG1 VAL A 52 27.381 26.957 29.670 1.00 0.00 C ATOM 729 CG2 VAL A 52 27.989 26.188 31.927 1.00 0.00 C ATOM 0 H VAL A 52 25.968 27.486 33.372 1.00 0.00 H new ATOM 0 HA VAL A 52 25.105 27.500 30.581 1.00 0.00 H new ATOM 0 HB VAL A 52 26.531 25.252 30.710 1.00 0.00 H new ATOM 0 HG11 VAL A 52 28.301 26.467 29.353 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.641 26.891 28.872 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.585 28.005 29.889 1.00 0.00 H new ATOM 0 HG21 VAL A 52 28.851 25.708 31.464 1.00 0.00 H new ATOM 0 HG22 VAL A 52 28.264 27.191 32.253 1.00 0.00 H new ATOM 0 HG23 VAL A 52 27.667 25.602 32.788 1.00 0.00 H new ATOM 739 N ILE A 53 24.105 25.063 30.900 1.00 0.00 N ATOM 740 CA ILE A 53 23.654 23.702 31.090 1.00 0.00 C ATOM 741 C ILE A 53 24.402 22.785 30.116 1.00 0.00 C ATOM 742 O ILE A 53 24.707 23.185 29.005 1.00 0.00 O ATOM 743 CB ILE A 53 22.122 23.683 31.004 1.00 0.00 C ATOM 744 CG1 ILE A 53 21.691 22.256 31.340 1.00 0.00 C ATOM 745 CG2 ILE A 53 21.615 24.239 29.664 1.00 0.00 C ATOM 746 CD1 ILE A 53 20.518 21.749 30.570 1.00 0.00 C ATOM 0 H ILE A 53 24.010 25.385 29.937 1.00 0.00 H new ATOM 0 HA ILE A 53 23.892 23.306 32.077 1.00 0.00 H new ATOM 0 HB ILE A 53 21.656 24.358 31.722 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.535 21.588 31.167 1.00 0.00 H new ATOM 0 HG13 ILE A 53 21.457 22.205 32.403 1.00 0.00 H new ATOM 0 HG21 ILE A 53 20.526 24.207 29.646 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.950 25.270 29.548 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.009 23.635 28.847 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.292 20.729 30.881 1.00 0.00 H new ATOM 0 HD12 ILE A 53 19.655 22.387 30.760 1.00 0.00 H new ATOM 0 HD13 ILE A 53 20.750 21.760 29.505 1.00 0.00 H new ATOM 758 N VAL A 54 24.731 21.566 30.535 1.00 0.00 N ATOM 759 CA VAL A 54 25.368 20.517 29.734 1.00 0.00 C ATOM 760 C VAL A 54 24.379 19.491 29.194 1.00 0.00 C ATOM 761 O VAL A 54 23.335 19.230 29.795 1.00 0.00 O ATOM 762 CB VAL A 54 26.456 19.879 30.601 1.00 0.00 C ATOM 763 CG1 VAL A 54 25.944 18.908 31.604 1.00 0.00 C ATOM 764 CG2 VAL A 54 27.573 19.147 29.834 1.00 0.00 C ATOM 0 H VAL A 54 24.552 21.264 31.493 1.00 0.00 H new ATOM 0 HA VAL A 54 25.807 20.958 28.839 1.00 0.00 H new ATOM 0 HB VAL A 54 26.867 20.764 31.086 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.778 18.502 32.176 1.00 0.00 H new ATOM 0 HG12 VAL A 54 25.252 19.412 32.279 1.00 0.00 H new ATOM 0 HG13 VAL A 54 25.426 18.097 31.093 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.290 18.733 30.543 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.140 18.340 29.243 1.00 0.00 H new ATOM 0 HG23 VAL A 54 28.081 19.849 29.173 1.00 0.00 H new ATOM 774 N ASP A 55 24.781 18.848 28.101 1.00 0.00 N ATOM 775 CA ASP A 55 24.192 17.590 27.656 1.00 0.00 C ATOM 776 C ASP A 55 24.238 16.560 28.813 1.00 0.00 C ATOM 777 O ASP A 55 25.309 16.391 29.416 1.00 0.00 O ATOM 778 CB ASP A 55 25.090 17.094 26.514 1.00 0.00 C ATOM 779 CG ASP A 55 24.551 15.908 25.695 1.00 0.00 C ATOM 780 OD1 ASP A 55 23.637 15.194 26.165 1.00 0.00 O ATOM 781 OD2 ASP A 55 25.036 15.678 24.565 1.00 0.00 O ATOM 0 H ASP A 55 25.529 19.188 27.496 1.00 0.00 H new ATOM 0 HA ASP A 55 23.156 17.717 27.343 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.271 17.926 25.834 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.055 16.810 26.935 1.00 0.00 H new ATOM 786 N PRO A 56 23.172 15.777 29.065 1.00 0.00 N ATOM 787 CA PRO A 56 23.191 14.685 30.044 1.00 0.00 C ATOM 788 C PRO A 56 24.235 13.588 29.775 1.00 0.00 C ATOM 789 O PRO A 56 24.536 12.801 30.677 1.00 0.00 O ATOM 790 CB PRO A 56 21.762 14.137 30.067 1.00 0.00 C ATOM 791 CG PRO A 56 20.914 15.342 29.664 1.00 0.00 C ATOM 792 CD PRO A 56 21.802 16.049 28.645 1.00 0.00 C ATOM 0 HA PRO A 56 23.505 15.068 31.015 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.638 13.308 29.370 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.490 13.766 31.055 1.00 0.00 H new ATOM 0 HG2 PRO A 56 19.961 15.040 29.230 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.688 15.982 30.517 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.619 15.674 27.638 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.603 17.120 28.627 1.00 0.00 H new ATOM 800 N ASP A 57 24.824 13.558 28.575 1.00 0.00 N ATOM 801 CA ASP A 57 25.981 12.729 28.231 1.00 0.00 C ATOM 802 C ASP A 57 27.269 13.254 28.870 1.00 0.00 C ATOM 803 O ASP A 57 27.986 12.489 29.516 1.00 0.00 O ATOM 804 CB ASP A 57 26.175 12.728 26.702 1.00 0.00 C ATOM 805 CG ASP A 57 25.483 11.561 26.008 1.00 0.00 C ATOM 806 OD1 ASP A 57 24.240 11.617 25.868 1.00 0.00 O ATOM 807 OD2 ASP A 57 26.182 10.634 25.528 1.00 0.00 O ATOM 0 H ASP A 57 24.498 14.127 27.794 1.00 0.00 H new ATOM 0 HA ASP A 57 25.785 11.725 28.606 1.00 0.00 H new ATOM 0 HB2 ASP A 57 25.792 13.663 26.293 1.00 0.00 H new ATOM 0 HB3 ASP A 57 27.241 12.695 26.478 1.00 0.00 H new ATOM 812 N TYR A 58 27.576 14.554 28.745 1.00 0.00 N ATOM 813 CA TYR A 58 28.903 15.048 29.077 1.00 0.00 C ATOM 814 C TYR A 58 29.018 15.570 30.505 1.00 0.00 C ATOM 815 O TYR A 58 30.125 15.654 31.025 1.00 0.00 O ATOM 816 CB TYR A 58 29.270 16.093 28.042 1.00 0.00 C ATOM 817 CG TYR A 58 29.521 15.502 26.675 1.00 0.00 C ATOM 818 CD1 TYR A 58 30.782 14.983 26.331 1.00 0.00 C ATOM 819 CD2 TYR A 58 28.462 15.438 25.760 1.00 0.00 C ATOM 820 CE1 TYR A 58 30.981 14.419 25.055 1.00 0.00 C ATOM 821 CE2 TYR A 58 28.659 14.911 24.475 1.00 0.00 C ATOM 822 CZ TYR A 58 29.921 14.388 24.117 1.00 0.00 C ATOM 823 OH TYR A 58 30.108 13.833 22.890 1.00 0.00 O ATOM 0 H TYR A 58 26.925 15.268 28.419 1.00 0.00 H new ATOM 0 HA TYR A 58 29.613 14.222 29.047 1.00 0.00 H new ATOM 0 HB2 TYR A 58 28.467 16.827 27.973 1.00 0.00 H new ATOM 0 HB3 TYR A 58 30.162 16.626 28.371 1.00 0.00 H new ATOM 0 HD1 TYR A 58 31.594 15.017 27.042 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.485 15.798 26.047 1.00 0.00 H new ATOM 0 HE1 TYR A 58 31.945 14.009 24.792 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.848 14.905 23.762 1.00 0.00 H new ATOM 0 HH TYR A 58 29.278 13.895 22.373 1.00 0.00 H new ATOM 833 N TYR A 59 27.898 15.855 31.174 1.00 0.00 N ATOM 834 CA TYR A 59 27.937 16.041 32.641 1.00 0.00 C ATOM 835 C TYR A 59 28.375 14.795 33.378 1.00 0.00 C ATOM 836 O TYR A 59 28.889 14.897 34.489 1.00 0.00 O ATOM 837 CB TYR A 59 26.561 16.324 33.253 1.00 0.00 C ATOM 838 CG TYR A 59 26.480 17.427 34.318 1.00 0.00 C ATOM 839 CD1 TYR A 59 27.389 18.509 34.378 1.00 0.00 C ATOM 840 CD2 TYR A 59 25.505 17.314 35.323 1.00 0.00 C ATOM 841 CE1 TYR A 59 27.374 19.395 35.467 1.00 0.00 C ATOM 842 CE2 TYR A 59 25.499 18.180 36.434 1.00 0.00 C ATOM 843 CZ TYR A 59 26.458 19.208 36.522 1.00 0.00 C ATOM 844 OH TYR A 59 26.490 20.024 37.607 1.00 0.00 O ATOM 0 H TYR A 59 26.977 15.961 30.748 1.00 0.00 H new ATOM 0 HA TYR A 59 28.629 16.875 32.756 1.00 0.00 H new ATOM 0 HB2 TYR A 59 25.879 16.585 32.444 1.00 0.00 H new ATOM 0 HB3 TYR A 59 26.192 15.399 33.696 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.101 18.655 33.579 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.746 16.549 35.242 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.067 20.223 35.497 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.763 18.056 37.214 1.00 0.00 H new ATOM 0 HH TYR A 59 25.790 19.757 38.238 1.00 0.00 H new ATOM 854 N ASP A 60 28.069 13.617 32.830 1.00 0.00 N ATOM 855 CA ASP A 60 28.080 12.415 33.658 1.00 0.00 C ATOM 856 C ASP A 60 29.495 12.051 34.145 1.00 0.00 C ATOM 857 O ASP A 60 29.681 11.323 35.118 1.00 0.00 O ATOM 858 CB ASP A 60 27.503 11.267 32.841 1.00 0.00 C ATOM 859 CG ASP A 60 27.515 9.905 33.554 1.00 0.00 C ATOM 860 OD1 ASP A 60 26.736 9.688 34.513 1.00 0.00 O ATOM 861 OD2 ASP A 60 28.322 9.031 33.151 1.00 0.00 O ATOM 0 H ASP A 60 27.819 13.473 31.852 1.00 0.00 H new ATOM 0 HA ASP A 60 27.479 12.603 34.548 1.00 0.00 H new ATOM 0 HB2 ASP A 60 26.476 11.511 32.570 1.00 0.00 H new ATOM 0 HB3 ASP A 60 28.066 11.181 31.912 1.00 0.00 H new ATOM 866 N ALA A 61 30.476 12.604 33.434 1.00 0.00 N ATOM 867 CA ALA A 61 31.908 12.426 33.626 1.00 0.00 C ATOM 868 C ALA A 61 32.545 13.607 34.387 1.00 0.00 C ATOM 869 O ALA A 61 33.778 13.721 34.436 1.00 0.00 O ATOM 870 CB ALA A 61 32.510 12.218 32.231 1.00 0.00 C ATOM 0 H ALA A 61 30.274 13.231 32.655 1.00 0.00 H new ATOM 0 HA ALA A 61 32.113 11.561 34.257 1.00 0.00 H new ATOM 0 HB1 ALA A 61 33.588 12.079 32.317 1.00 0.00 H new ATOM 0 HB2 ALA A 61 32.066 11.335 31.771 1.00 0.00 H new ATOM 0 HB3 ALA A 61 32.305 13.092 31.612 1.00 0.00 H new ATOM 876 N LEU A 62 31.716 14.521 34.916 1.00 0.00 N ATOM 877 CA LEU A 62 32.152 15.817 35.466 1.00 0.00 C ATOM 878 C LEU A 62 31.864 16.011 36.975 1.00 0.00 C ATOM 879 O LEU A 62 30.841 15.531 37.472 1.00 0.00 O ATOM 880 CB LEU A 62 31.538 16.958 34.627 1.00 0.00 C ATOM 881 CG LEU A 62 32.137 17.127 33.215 1.00 0.00 C ATOM 882 CD1 LEU A 62 31.476 18.322 32.520 1.00 0.00 C ATOM 883 CD2 LEU A 62 33.646 17.374 33.206 1.00 0.00 C ATOM 0 H LEU A 62 30.708 14.379 34.975 1.00 0.00 H new ATOM 0 HA LEU A 62 33.239 15.835 35.394 1.00 0.00 H new ATOM 0 HB2 LEU A 62 30.467 16.782 34.532 1.00 0.00 H new ATOM 0 HB3 LEU A 62 31.660 17.895 35.171 1.00 0.00 H new ATOM 0 HG LEU A 62 31.948 16.186 32.699 1.00 0.00 H new ATOM 0 HD11 LEU A 62 31.899 18.442 31.522 1.00 0.00 H new ATOM 0 HD12 LEU A 62 30.403 18.149 32.441 1.00 0.00 H new ATOM 0 HD13 LEU A 62 31.656 19.226 33.101 1.00 0.00 H new ATOM 0 HD21 LEU A 62 33.991 17.482 32.178 1.00 0.00 H new ATOM 0 HD22 LEU A 62 33.869 18.285 33.761 1.00 0.00 H new ATOM 0 HD23 LEU A 62 34.155 16.531 33.673 1.00 0.00 H new ATOM 895 N PRO A 63 32.726 16.750 37.704 1.00 0.00 N ATOM 896 CA PRO A 63 32.546 17.101 39.118 1.00 0.00 C ATOM 897 C PRO A 63 31.628 18.313 39.335 1.00 0.00 C ATOM 898 O PRO A 63 31.406 19.127 38.433 1.00 0.00 O ATOM 899 CB PRO A 63 33.963 17.421 39.611 1.00 0.00 C ATOM 900 CG PRO A 63 34.587 18.087 38.385 1.00 0.00 C ATOM 901 CD PRO A 63 34.007 17.272 37.234 1.00 0.00 C ATOM 0 HA PRO A 63 32.064 16.285 39.656 1.00 0.00 H new ATOM 0 HB2 PRO A 63 33.953 18.086 40.475 1.00 0.00 H new ATOM 0 HB3 PRO A 63 34.504 16.522 39.906 1.00 0.00 H new ATOM 0 HG2 PRO A 63 34.316 19.140 38.313 1.00 0.00 H new ATOM 0 HG3 PRO A 63 35.676 18.039 38.408 1.00 0.00 H new ATOM 0 HD2 PRO A 63 33.872 17.892 36.348 1.00 0.00 H new ATOM 0 HD3 PRO A 63 34.679 16.460 36.956 1.00 0.00 H new ATOM 909 N GLU A 64 31.168 18.484 40.576 1.00 0.00 N ATOM 910 CA GLU A 64 30.554 19.725 41.065 1.00 0.00 C ATOM 911 C GLU A 64 31.590 20.659 41.745 1.00 0.00 C ATOM 912 O GLU A 64 32.572 20.178 42.329 1.00 0.00 O ATOM 913 CB GLU A 64 29.382 19.397 42.003 1.00 0.00 C ATOM 914 CG GLU A 64 28.192 18.804 41.236 1.00 0.00 C ATOM 915 CD GLU A 64 26.971 18.633 42.147 1.00 0.00 C ATOM 916 OE1 GLU A 64 26.152 19.580 42.248 1.00 0.00 O ATOM 917 OE2 GLU A 64 26.791 17.536 42.731 1.00 0.00 O ATOM 0 H GLU A 64 31.212 17.751 41.284 1.00 0.00 H new ATOM 0 HA GLU A 64 30.166 20.273 40.206 1.00 0.00 H new ATOM 0 HB2 GLU A 64 29.712 18.691 42.765 1.00 0.00 H new ATOM 0 HB3 GLU A 64 29.066 20.302 42.522 1.00 0.00 H new ATOM 0 HG2 GLU A 64 27.936 19.454 40.399 1.00 0.00 H new ATOM 0 HG3 GLU A 64 28.473 17.838 40.815 1.00 0.00 H new ATOM 924 N PRO A 65 31.397 21.992 41.680 1.00 0.00 N ATOM 925 CA PRO A 65 32.343 23.011 42.142 1.00 0.00 C ATOM 926 C PRO A 65 32.155 23.401 43.617 1.00 0.00 C ATOM 927 O PRO A 65 31.241 22.932 44.300 1.00 0.00 O ATOM 928 CB PRO A 65 32.081 24.199 41.219 1.00 0.00 C ATOM 929 CG PRO A 65 30.562 24.168 41.127 1.00 0.00 C ATOM 930 CD PRO A 65 30.295 22.668 40.997 1.00 0.00 C ATOM 0 HA PRO A 65 33.368 22.644 42.099 1.00 0.00 H new ATOM 0 HB2 PRO A 65 32.449 25.135 41.638 1.00 0.00 H new ATOM 0 HB3 PRO A 65 32.555 24.077 40.245 1.00 0.00 H new ATOM 0 HG2 PRO A 65 30.089 24.594 42.012 1.00 0.00 H new ATOM 0 HG3 PRO A 65 30.192 24.727 40.267 1.00 0.00 H new ATOM 0 HD2 PRO A 65 29.338 22.403 41.447 1.00 0.00 H new ATOM 0 HD3 PRO A 65 30.247 22.371 39.949 1.00 0.00 H new ATOM 938 N GLU A 66 33.033 24.285 44.099 1.00 0.00 N ATOM 939 CA GLU A 66 32.913 24.938 45.408 1.00 0.00 C ATOM 940 C GLU A 66 31.533 25.565 45.668 1.00 0.00 C ATOM 941 O GLU A 66 30.873 26.083 44.762 1.00 0.00 O ATOM 942 CB GLU A 66 33.968 26.035 45.556 1.00 0.00 C ATOM 943 CG GLU A 66 35.372 25.439 45.665 1.00 0.00 C ATOM 944 CD GLU A 66 35.930 25.396 47.092 1.00 0.00 C ATOM 945 OE1 GLU A 66 35.567 24.468 47.854 1.00 0.00 O ATOM 946 OE2 GLU A 66 36.739 26.289 47.453 1.00 0.00 O ATOM 0 H GLU A 66 33.863 24.573 43.581 1.00 0.00 H new ATOM 0 HA GLU A 66 33.060 24.143 46.139 1.00 0.00 H new ATOM 0 HB2 GLU A 66 33.921 26.707 44.699 1.00 0.00 H new ATOM 0 HB3 GLU A 66 33.754 26.633 46.442 1.00 0.00 H new ATOM 0 HG2 GLU A 66 35.356 24.426 45.263 1.00 0.00 H new ATOM 0 HG3 GLU A 66 36.050 26.020 45.040 1.00 0.00 H new ATOM 953 N ASP A 67 31.181 25.646 46.951 1.00 0.00 N ATOM 954 CA ASP A 67 29.996 26.325 47.493 1.00 0.00 C ATOM 955 C ASP A 67 29.943 27.838 47.185 1.00 0.00 C ATOM 956 O ASP A 67 28.961 28.514 47.489 1.00 0.00 O ATOM 957 CB ASP A 67 29.929 26.032 49.001 1.00 0.00 C ATOM 958 CG ASP A 67 28.537 26.256 49.591 1.00 0.00 C ATOM 959 OD1 ASP A 67 27.595 25.535 49.182 1.00 0.00 O ATOM 960 OD2 ASP A 67 28.386 27.135 50.479 1.00 0.00 O ATOM 0 H ASP A 67 31.745 25.216 47.684 1.00 0.00 H new ATOM 0 HA ASP A 67 29.112 25.929 46.993 1.00 0.00 H new ATOM 0 HB2 ASP A 67 30.231 25.000 49.179 1.00 0.00 H new ATOM 0 HB3 ASP A 67 30.645 26.668 49.521 1.00 0.00 H new ATOM 965 N ASP A 68 31.048 28.414 46.704 1.00 0.00 N ATOM 966 CA ASP A 68 31.144 29.781 46.171 1.00 0.00 C ATOM 967 C ASP A 68 30.798 29.864 44.686 1.00 0.00 C ATOM 968 O ASP A 68 30.201 30.851 44.270 1.00 0.00 O ATOM 969 CB ASP A 68 32.570 30.269 46.447 1.00 0.00 C ATOM 970 CG ASP A 68 32.853 31.709 46.028 1.00 0.00 C ATOM 971 OD1 ASP A 68 32.077 32.617 46.415 1.00 0.00 O ATOM 972 OD2 ASP A 68 33.911 31.928 45.393 1.00 0.00 O ATOM 0 H ASP A 68 31.940 27.921 46.673 1.00 0.00 H new ATOM 0 HA ASP A 68 30.411 30.420 46.664 1.00 0.00 H new ATOM 0 HB2 ASP A 68 32.771 30.171 47.514 1.00 0.00 H new ATOM 0 HB3 ASP A 68 33.269 29.612 45.929 1.00 0.00 H new ATOM 977 N GLU A 69 31.130 28.845 43.892 1.00 0.00 N ATOM 978 CA GLU A 69 30.925 28.865 42.440 1.00 0.00 C ATOM 979 C GLU A 69 29.515 28.355 42.072 1.00 0.00 C ATOM 980 O GLU A 69 28.852 28.974 41.245 1.00 0.00 O ATOM 981 CB GLU A 69 32.060 28.087 41.744 1.00 0.00 C ATOM 982 CG GLU A 69 32.974 28.968 40.873 1.00 0.00 C ATOM 983 CD GLU A 69 33.840 29.971 41.655 1.00 0.00 C ATOM 984 OE1 GLU A 69 33.407 31.124 41.872 1.00 0.00 O ATOM 985 OE2 GLU A 69 35.027 29.675 41.954 1.00 0.00 O ATOM 0 H GLU A 69 31.549 27.981 44.236 1.00 0.00 H new ATOM 0 HA GLU A 69 30.970 29.892 42.077 1.00 0.00 H new ATOM 0 HB2 GLU A 69 32.665 27.590 42.502 1.00 0.00 H new ATOM 0 HB3 GLU A 69 31.624 27.306 41.122 1.00 0.00 H new ATOM 0 HG2 GLU A 69 33.629 28.321 40.289 1.00 0.00 H new ATOM 0 HG3 GLU A 69 32.356 29.519 40.164 1.00 0.00 H new ATOM 992 N ASN A 70 28.979 27.310 42.729 1.00 0.00 N ATOM 993 CA ASN A 70 27.584 26.865 42.501 1.00 0.00 C ATOM 994 C ASN A 70 26.513 27.860 42.997 1.00 0.00 C ATOM 995 O ASN A 70 25.370 27.836 42.536 1.00 0.00 O ATOM 996 CB ASN A 70 27.358 25.433 43.019 1.00 0.00 C ATOM 997 CG ASN A 70 27.527 25.225 44.514 1.00 0.00 C ATOM 998 OD1 ASN A 70 27.289 26.099 45.334 1.00 0.00 O ATOM 999 ND2 ASN A 70 27.900 24.034 44.912 1.00 0.00 N ATOM 0 H ASN A 70 29.485 26.757 43.420 1.00 0.00 H new ATOM 0 HA ASN A 70 27.450 26.845 41.419 1.00 0.00 H new ATOM 0 HB2 ASN A 70 26.350 25.124 42.742 1.00 0.00 H new ATOM 0 HB3 ASN A 70 28.049 24.768 42.501 1.00 0.00 H new ATOM 0 HD21 ASN A 70 27.992 23.835 45.908 1.00 0.00 H new ATOM 0 HD22 ASN A 70 28.098 23.306 44.226 1.00 0.00 H new ATOM 1006 N ASP A 71 26.897 28.772 43.885 1.00 0.00 N ATOM 1007 CA ASP A 71 26.093 29.905 44.357 1.00 0.00 C ATOM 1008 C ASP A 71 26.155 31.113 43.412 1.00 0.00 C ATOM 1009 O ASP A 71 25.495 32.112 43.669 1.00 0.00 O ATOM 1010 CB ASP A 71 26.476 30.305 45.783 1.00 0.00 C ATOM 1011 CG ASP A 71 25.293 30.879 46.570 1.00 0.00 C ATOM 1012 OD1 ASP A 71 24.266 30.174 46.734 1.00 0.00 O ATOM 1013 OD2 ASP A 71 25.416 32.010 47.106 1.00 0.00 O ATOM 0 H ASP A 71 27.820 28.744 44.318 1.00 0.00 H new ATOM 0 HA ASP A 71 25.058 29.564 44.363 1.00 0.00 H new ATOM 0 HB2 ASP A 71 26.869 29.434 46.308 1.00 0.00 H new ATOM 0 HB3 ASP A 71 27.277 31.044 45.747 1.00 0.00 H new ATOM 1018 N MET A 72 27.014 31.102 42.387 1.00 0.00 N ATOM 1019 CA MET A 72 26.933 32.066 41.277 1.00 0.00 C ATOM 1020 C MET A 72 25.756 31.733 40.337 1.00 0.00 C ATOM 1021 O MET A 72 25.194 32.639 39.717 1.00 0.00 O ATOM 1022 CB MET A 72 28.260 32.094 40.501 1.00 0.00 C ATOM 1023 CG MET A 72 29.478 32.358 41.396 1.00 0.00 C ATOM 1024 SD MET A 72 29.499 33.980 42.201 1.00 0.00 S ATOM 1025 CE MET A 72 31.263 34.038 42.612 1.00 0.00 C ATOM 0 H MET A 72 27.779 30.433 42.300 1.00 0.00 H new ATOM 0 HA MET A 72 26.753 33.056 41.695 1.00 0.00 H new ATOM 0 HB2 MET A 72 28.394 31.142 39.988 1.00 0.00 H new ATOM 0 HB3 MET A 72 28.208 32.865 39.733 1.00 0.00 H new ATOM 0 HG2 MET A 72 29.519 31.587 42.165 1.00 0.00 H new ATOM 0 HG3 MET A 72 30.381 32.256 40.794 1.00 0.00 H new ATOM 0 HE1 MET A 72 31.487 34.975 43.123 1.00 0.00 H new ATOM 0 HE2 MET A 72 31.512 33.201 43.264 1.00 0.00 H new ATOM 0 HE3 MET A 72 31.852 33.974 41.697 1.00 0.00 H new ATOM 1035 N LEU A 73 25.393 30.441 40.264 1.00 0.00 N ATOM 1036 CA LEU A 73 24.461 29.812 39.318 1.00 0.00 C ATOM 1037 C LEU A 73 22.996 29.914 39.767 1.00 0.00 C ATOM 1038 O LEU A 73 22.152 30.392 39.021 1.00 0.00 O ATOM 1039 CB LEU A 73 24.846 28.329 39.122 1.00 0.00 C ATOM 1040 CG LEU A 73 26.335 27.988 39.015 1.00 0.00 C ATOM 1041 CD1 LEU A 73 26.484 26.476 38.851 1.00 0.00 C ATOM 1042 CD2 LEU A 73 26.988 28.689 37.833 1.00 0.00 C ATOM 0 H LEU A 73 25.775 29.757 40.917 1.00 0.00 H new ATOM 0 HA LEU A 73 24.543 30.354 38.376 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.431 27.762 39.955 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.354 27.972 38.217 1.00 0.00 H new ATOM 0 HG LEU A 73 26.832 28.329 39.923 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.541 26.221 38.774 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.051 25.972 39.715 1.00 0.00 H new ATOM 0 HD13 LEU A 73 25.966 26.155 37.947 1.00 0.00 H new ATOM 0 HD21 LEU A 73 28.044 28.423 37.790 1.00 0.00 H new ATOM 0 HD22 LEU A 73 26.498 28.379 36.910 1.00 0.00 H new ATOM 0 HD23 LEU A 73 26.891 29.768 37.951 1.00 0.00 H new ATOM 1054 N ASP A 74 22.714 29.483 41.003 1.00 0.00 N ATOM 1055 CA ASP A 74 21.455 29.623 41.767 1.00 0.00 C ATOM 1056 C ASP A 74 20.791 31.018 41.729 1.00 0.00 C ATOM 1057 O ASP A 74 19.629 31.175 42.113 1.00 0.00 O ATOM 1058 CB ASP A 74 21.800 29.314 43.238 1.00 0.00 C ATOM 1059 CG ASP A 74 20.631 28.762 44.056 1.00 0.00 C ATOM 1060 OD1 ASP A 74 19.897 27.878 43.549 1.00 0.00 O ATOM 1061 OD2 ASP A 74 20.512 29.118 45.251 1.00 0.00 O ATOM 0 H ASP A 74 23.418 28.983 41.546 1.00 0.00 H new ATOM 0 HA ASP A 74 20.736 28.946 41.307 1.00 0.00 H new ATOM 0 HB2 ASP A 74 22.618 28.594 43.264 1.00 0.00 H new ATOM 0 HB3 ASP A 74 22.162 30.226 43.713 1.00 0.00 H new ATOM 1066 N LEU A 75 21.529 32.041 41.297 1.00 0.00 N ATOM 1067 CA LEU A 75 21.079 33.423 41.143 1.00 0.00 C ATOM 1068 C LEU A 75 20.525 33.725 39.732 1.00 0.00 C ATOM 1069 O LEU A 75 20.016 34.821 39.493 1.00 0.00 O ATOM 1070 CB LEU A 75 22.254 34.338 41.524 1.00 0.00 C ATOM 1071 CG LEU A 75 22.962 33.985 42.851 1.00 0.00 C ATOM 1072 CD1 LEU A 75 23.957 35.089 43.183 1.00 0.00 C ATOM 1073 CD2 LEU A 75 22.016 33.783 44.038 1.00 0.00 C ATOM 0 H LEU A 75 22.507 31.921 41.032 1.00 0.00 H new ATOM 0 HA LEU A 75 20.233 33.607 41.806 1.00 0.00 H new ATOM 0 HB2 LEU A 75 22.990 34.311 40.720 1.00 0.00 H new ATOM 0 HB3 LEU A 75 21.889 35.363 41.587 1.00 0.00 H new ATOM 0 HG LEU A 75 23.456 33.026 42.694 1.00 0.00 H new ATOM 0 HD11 LEU A 75 24.464 34.852 44.118 1.00 0.00 H new ATOM 0 HD12 LEU A 75 24.692 35.170 42.382 1.00 0.00 H new ATOM 0 HD13 LEU A 75 23.428 36.036 43.287 1.00 0.00 H new ATOM 0 HD21 LEU A 75 22.596 33.539 44.928 1.00 0.00 H new ATOM 0 HD22 LEU A 75 21.451 34.699 44.213 1.00 0.00 H new ATOM 0 HD23 LEU A 75 21.327 32.968 43.819 1.00 0.00 H new ATOM 1085 N ALA A 76 20.615 32.772 38.801 1.00 0.00 N ATOM 1086 CA ALA A 76 19.965 32.776 37.487 1.00 0.00 C ATOM 1087 C ALA A 76 18.671 31.933 37.478 1.00 0.00 C ATOM 1088 O ALA A 76 18.342 31.235 38.447 1.00 0.00 O ATOM 1089 CB ALA A 76 20.987 32.294 36.449 1.00 0.00 C ATOM 0 H ALA A 76 21.173 31.932 38.951 1.00 0.00 H new ATOM 0 HA ALA A 76 19.646 33.788 37.236 1.00 0.00 H new ATOM 0 HB1 ALA A 76 20.527 32.288 35.461 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.846 32.965 36.445 1.00 0.00 H new ATOM 0 HB3 ALA A 76 21.315 31.286 36.702 1.00 0.00 H new ATOM 1095 N TYR A 77 17.917 32.006 36.379 1.00 0.00 N ATOM 1096 CA TYR A 77 16.633 31.318 36.230 1.00 0.00 C ATOM 1097 C TYR A 77 16.738 29.800 36.047 1.00 0.00 C ATOM 1098 O TYR A 77 17.542 29.301 35.254 1.00 0.00 O ATOM 1099 CB TYR A 77 15.868 31.914 35.044 1.00 0.00 C ATOM 1100 CG TYR A 77 14.535 31.242 34.782 1.00 0.00 C ATOM 1101 CD1 TYR A 77 13.466 31.473 35.663 1.00 0.00 C ATOM 1102 CD2 TYR A 77 14.376 30.344 33.709 1.00 0.00 C ATOM 1103 CE1 TYR A 77 12.240 30.813 35.478 1.00 0.00 C ATOM 1104 CE2 TYR A 77 13.144 29.689 33.511 1.00 0.00 C ATOM 1105 CZ TYR A 77 12.070 29.922 34.396 1.00 0.00 C ATOM 1106 OH TYR A 77 10.865 29.338 34.175 1.00 0.00 O ATOM 0 H TYR A 77 18.184 32.550 35.559 1.00 0.00 H new ATOM 0 HA TYR A 77 16.104 31.474 37.170 1.00 0.00 H new ATOM 0 HB2 TYR A 77 15.701 32.975 35.227 1.00 0.00 H new ATOM 0 HB3 TYR A 77 16.486 31.838 34.149 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.587 32.161 36.486 1.00 0.00 H new ATOM 0 HD2 TYR A 77 15.200 30.157 33.036 1.00 0.00 H new ATOM 0 HE1 TYR A 77 11.425 30.988 36.165 1.00 0.00 H new ATOM 0 HE2 TYR A 77 13.022 29.008 32.681 1.00 0.00 H new ATOM 0 HH TYR A 77 10.923 28.755 33.389 1.00 0.00 H new ATOM 1116 N GLY A 78 15.814 29.088 36.698 1.00 0.00 N ATOM 1117 CA GLY A 78 15.346 27.768 36.284 1.00 0.00 C ATOM 1118 C GLY A 78 16.384 26.651 36.322 1.00 0.00 C ATOM 1119 O GLY A 78 16.308 25.728 35.504 1.00 0.00 O ATOM 0 H GLY A 78 15.361 29.424 37.548 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.510 27.483 36.923 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.959 27.843 35.268 1.00 0.00 H new ATOM 1123 N LEU A 79 17.367 26.747 37.225 1.00 0.00 N ATOM 1124 CA LEU A 79 18.596 25.954 37.169 1.00 0.00 C ATOM 1125 C LEU A 79 18.312 24.442 37.099 1.00 0.00 C ATOM 1126 O LEU A 79 17.675 23.863 37.977 1.00 0.00 O ATOM 1127 CB LEU A 79 19.536 26.427 38.300 1.00 0.00 C ATOM 1128 CG LEU A 79 20.975 25.922 38.134 1.00 0.00 C ATOM 1129 CD1 LEU A 79 21.922 26.882 38.824 1.00 0.00 C ATOM 1130 CD2 LEU A 79 21.274 24.559 38.740 1.00 0.00 C ATOM 0 H LEU A 79 17.329 27.383 38.021 1.00 0.00 H new ATOM 0 HA LEU A 79 19.131 26.126 36.235 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.540 27.517 38.329 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.145 26.084 39.258 1.00 0.00 H new ATOM 0 HG LEU A 79 21.106 25.847 37.054 1.00 0.00 H new ATOM 0 HD11 LEU A 79 22.946 26.528 38.709 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.828 27.871 38.376 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.674 26.939 39.884 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.319 24.303 38.563 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.084 24.588 39.813 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.633 23.807 38.279 1.00 0.00 H new ATOM 1142 N THR A 80 18.750 23.833 35.997 1.00 0.00 N ATOM 1143 CA THR A 80 18.366 22.498 35.521 1.00 0.00 C ATOM 1144 C THR A 80 19.184 21.385 36.177 1.00 0.00 C ATOM 1145 O THR A 80 20.245 21.623 36.755 1.00 0.00 O ATOM 1146 CB THR A 80 18.537 22.410 33.983 1.00 0.00 C ATOM 1147 OG1 THR A 80 18.575 23.690 33.385 1.00 0.00 O ATOM 1148 CG2 THR A 80 17.427 21.613 33.305 1.00 0.00 C ATOM 0 H THR A 80 19.422 24.282 35.374 1.00 0.00 H new ATOM 0 HA THR A 80 17.321 22.355 35.797 1.00 0.00 H new ATOM 0 HB THR A 80 19.486 21.895 33.837 1.00 0.00 H new ATOM 0 HG1 THR A 80 18.685 23.595 32.416 1.00 0.00 H new ATOM 0 HG21 THR A 80 17.602 21.587 32.230 1.00 0.00 H new ATOM 0 HG22 THR A 80 17.419 20.596 33.696 1.00 0.00 H new ATOM 0 HG23 THR A 80 16.465 22.086 33.505 1.00 0.00 H new ATOM 1156 N GLU A 81 18.762 20.136 35.985 1.00 0.00 N ATOM 1157 CA GLU A 81 19.401 18.931 36.534 1.00 0.00 C ATOM 1158 C GLU A 81 20.885 18.801 36.120 1.00 0.00 C ATOM 1159 O GLU A 81 21.696 18.266 36.880 1.00 0.00 O ATOM 1160 CB GLU A 81 18.614 17.680 36.086 1.00 0.00 C ATOM 1161 CG GLU A 81 17.074 17.783 36.060 1.00 0.00 C ATOM 1162 CD GLU A 81 16.419 18.124 37.407 1.00 0.00 C ATOM 1163 OE1 GLU A 81 16.261 19.332 37.717 1.00 0.00 O ATOM 1164 OE2 GLU A 81 15.995 17.190 38.134 1.00 0.00 O ATOM 0 H GLU A 81 17.937 19.923 35.424 1.00 0.00 H new ATOM 0 HA GLU A 81 19.383 19.018 37.620 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.951 17.410 35.085 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.886 16.856 36.746 1.00 0.00 H new ATOM 0 HG2 GLU A 81 16.789 18.543 35.333 1.00 0.00 H new ATOM 0 HG3 GLU A 81 16.668 16.835 35.706 1.00 0.00 H new ATOM 1171 N THR A 82 21.269 19.382 34.970 1.00 0.00 N ATOM 1172 CA THR A 82 22.644 19.434 34.446 1.00 0.00 C ATOM 1173 C THR A 82 23.141 20.869 34.250 1.00 0.00 C ATOM 1174 O THR A 82 24.073 21.126 33.480 1.00 0.00 O ATOM 1175 CB THR A 82 22.795 18.622 33.161 1.00 0.00 C ATOM 1176 OG1 THR A 82 21.972 19.144 32.140 1.00 0.00 O ATOM 1177 CG2 THR A 82 22.416 17.153 33.293 1.00 0.00 C ATOM 0 H THR A 82 20.601 19.847 34.355 1.00 0.00 H new ATOM 0 HA THR A 82 23.276 18.975 35.206 1.00 0.00 H new ATOM 0 HB THR A 82 23.857 18.694 32.928 1.00 0.00 H new ATOM 0 HG1 THR A 82 22.473 19.173 31.298 1.00 0.00 H new ATOM 0 HG21 THR A 82 22.554 16.654 32.334 1.00 0.00 H new ATOM 0 HG22 THR A 82 23.050 16.680 34.043 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.372 17.072 33.597 1.00 0.00 H new ATOM 1185 N SER A 83 22.507 21.840 34.916 1.00 0.00 N ATOM 1186 CA SER A 83 22.944 23.229 34.868 1.00 0.00 C ATOM 1187 C SER A 83 24.074 23.485 35.860 1.00 0.00 C ATOM 1188 O SER A 83 24.086 22.955 36.972 1.00 0.00 O ATOM 1189 CB SER A 83 21.799 24.215 34.978 1.00 0.00 C ATOM 1190 OG SER A 83 22.270 25.544 34.873 1.00 0.00 O ATOM 0 H SER A 83 21.684 21.682 35.497 1.00 0.00 H new ATOM 0 HA SER A 83 23.358 23.406 33.875 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.068 24.020 34.193 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.287 24.080 35.931 1.00 0.00 H new ATOM 0 HG SER A 83 23.013 25.578 34.235 1.00 0.00 H new ATOM 1196 N ARG A 84 25.090 24.206 35.393 1.00 0.00 N ATOM 1197 CA ARG A 84 26.469 24.122 35.884 1.00 0.00 C ATOM 1198 C ARG A 84 27.271 25.383 35.557 1.00 0.00 C ATOM 1199 O ARG A 84 26.762 26.291 34.905 1.00 0.00 O ATOM 1200 CB ARG A 84 27.054 22.784 35.392 1.00 0.00 C ATOM 1201 CG ARG A 84 27.261 22.604 33.889 1.00 0.00 C ATOM 1202 CD ARG A 84 28.704 22.972 33.593 1.00 0.00 C ATOM 1203 NE ARG A 84 29.078 22.674 32.204 1.00 0.00 N ATOM 1204 CZ ARG A 84 30.292 22.851 31.727 1.00 0.00 C ATOM 1205 NH1 ARG A 84 31.139 23.664 32.290 1.00 0.00 N ATOM 1206 NH2 ARG A 84 30.679 22.193 30.671 1.00 0.00 N ATOM 0 H ARG A 84 24.977 24.885 34.641 1.00 0.00 H new ATOM 0 HA ARG A 84 26.515 24.105 36.973 1.00 0.00 H new ATOM 0 HB2 ARG A 84 28.017 22.640 35.882 1.00 0.00 H new ATOM 0 HB3 ARG A 84 26.398 21.985 35.737 1.00 0.00 H new ATOM 0 HG2 ARG A 84 27.057 21.575 33.592 1.00 0.00 H new ATOM 0 HG3 ARG A 84 26.578 23.240 33.327 1.00 0.00 H new ATOM 0 HD2 ARG A 84 28.854 24.034 33.788 1.00 0.00 H new ATOM 0 HD3 ARG A 84 29.362 22.427 34.270 1.00 0.00 H new ATOM 0 HE ARG A 84 28.360 22.311 31.577 1.00 0.00 H new ATOM 0 HH11 ARG A 84 30.869 24.185 33.124 1.00 0.00 H new ATOM 0 HH12 ARG A 84 32.073 23.780 31.897 1.00 0.00 H new ATOM 0 HH21 ARG A 84 30.041 21.541 30.214 1.00 0.00 H new ATOM 0 HH22 ARG A 84 31.620 22.330 30.301 1.00 0.00 H new ATOM 1220 N LEU A 85 28.505 25.439 36.047 1.00 0.00 N ATOM 1221 CA LEU A 85 29.368 26.622 35.983 1.00 0.00 C ATOM 1222 C LEU A 85 30.186 26.780 34.692 1.00 0.00 C ATOM 1223 O LEU A 85 30.471 25.811 33.979 1.00 0.00 O ATOM 1224 CB LEU A 85 30.289 26.657 37.212 1.00 0.00 C ATOM 1225 CG LEU A 85 31.496 25.708 37.128 1.00 0.00 C ATOM 1226 CD1 LEU A 85 32.479 26.093 38.210 1.00 0.00 C ATOM 1227 CD2 LEU A 85 31.113 24.235 37.290 1.00 0.00 C ATOM 0 H LEU A 85 28.947 24.646 36.512 1.00 0.00 H new ATOM 0 HA LEU A 85 28.689 27.474 35.979 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.652 27.675 37.350 1.00 0.00 H new ATOM 0 HB3 LEU A 85 29.704 26.404 38.096 1.00 0.00 H new ATOM 0 HG LEU A 85 31.932 25.811 36.134 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.344 25.431 38.168 1.00 0.00 H new ATOM 0 HD12 LEU A 85 32.802 27.123 38.058 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.000 26.003 39.185 1.00 0.00 H new ATOM 0 HD21 LEU A 85 32.008 23.617 37.221 1.00 0.00 H new ATOM 0 HD22 LEU A 85 30.643 24.086 38.262 1.00 0.00 H new ATOM 0 HD23 LEU A 85 30.415 23.952 36.502 1.00 0.00 H new ATOM 1239 N GLY A 86 30.664 28.003 34.481 1.00 0.00 N ATOM 1240 CA GLY A 86 31.564 28.415 33.417 1.00 0.00 C ATOM 1241 C GLY A 86 33.065 28.278 33.699 1.00 0.00 C ATOM 1242 O GLY A 86 33.790 28.074 32.726 1.00 0.00 O ATOM 0 H GLY A 86 30.414 28.781 35.091 1.00 0.00 H new ATOM 0 HA2 GLY A 86 31.329 27.831 32.527 1.00 0.00 H new ATOM 0 HA3 GLY A 86 31.355 29.458 33.179 1.00 0.00 H new ATOM 1246 N CYS A 87 33.534 28.389 34.956 1.00 0.00 N ATOM 1247 CA CYS A 87 34.963 28.583 35.276 1.00 0.00 C ATOM 1248 C CYS A 87 35.742 27.373 35.821 1.00 0.00 C ATOM 1249 O CYS A 87 36.628 26.861 35.137 1.00 0.00 O ATOM 1250 CB CYS A 87 35.140 29.777 36.204 1.00 0.00 C ATOM 1251 SG CYS A 87 33.998 29.872 37.590 1.00 0.00 S ATOM 0 H CYS A 87 32.934 28.347 35.779 1.00 0.00 H new ATOM 0 HA CYS A 87 35.414 28.757 34.299 1.00 0.00 H new ATOM 0 HB2 CYS A 87 36.157 29.760 36.597 1.00 0.00 H new ATOM 0 HB3 CYS A 87 35.042 30.688 35.614 1.00 0.00 H new ATOM 1256 N GLN A 88 35.489 26.909 37.055 1.00 0.00 N ATOM 1257 CA GLN A 88 36.391 25.930 37.703 1.00 0.00 C ATOM 1258 C GLN A 88 36.322 24.485 37.151 1.00 0.00 C ATOM 1259 O GLN A 88 36.835 23.563 37.789 1.00 0.00 O ATOM 1260 CB GLN A 88 36.394 26.028 39.247 1.00 0.00 C ATOM 1261 CG GLN A 88 35.280 25.288 40.010 1.00 0.00 C ATOM 1262 CD GLN A 88 35.634 25.045 41.471 1.00 0.00 C ATOM 1263 OE1 GLN A 88 35.138 25.719 42.362 1.00 0.00 O ATOM 1264 NE2 GLN A 88 36.500 24.110 41.785 1.00 0.00 N ATOM 0 H GLN A 88 34.685 27.186 37.619 1.00 0.00 H new ATOM 0 HA GLN A 88 37.386 26.248 37.392 1.00 0.00 H new ATOM 0 HB2 GLN A 88 37.353 25.654 39.606 1.00 0.00 H new ATOM 0 HB3 GLN A 88 36.343 27.083 39.517 1.00 0.00 H new ATOM 0 HG2 GLN A 88 34.359 25.869 39.955 1.00 0.00 H new ATOM 0 HG3 GLN A 88 35.084 24.332 39.523 1.00 0.00 H new ATOM 0 HE21 GLN A 88 36.922 23.539 41.053 1.00 0.00 H new ATOM 0 HE22 GLN A 88 36.751 23.954 42.761 1.00 0.00 H new ATOM 1273 N ILE A 89 35.727 24.273 35.971 1.00 0.00 N ATOM 1274 CA ILE A 89 35.786 23.027 35.192 1.00 0.00 C ATOM 1275 C ILE A 89 36.003 23.341 33.700 1.00 0.00 C ATOM 1276 O ILE A 89 35.477 24.329 33.183 1.00 0.00 O ATOM 1277 CB ILE A 89 34.541 22.146 35.460 1.00 0.00 C ATOM 1278 CG1 ILE A 89 34.655 20.723 34.874 1.00 0.00 C ATOM 1279 CG2 ILE A 89 33.245 22.784 34.924 1.00 0.00 C ATOM 1280 CD1 ILE A 89 35.930 19.965 35.275 1.00 0.00 C ATOM 0 H ILE A 89 35.168 24.993 35.513 1.00 0.00 H new ATOM 0 HA ILE A 89 36.644 22.439 35.517 1.00 0.00 H new ATOM 0 HB ILE A 89 34.497 22.073 36.547 1.00 0.00 H new ATOM 0 HG12 ILE A 89 33.789 20.143 35.192 1.00 0.00 H new ATOM 0 HG13 ILE A 89 34.614 20.788 33.787 1.00 0.00 H new ATOM 0 HG21 ILE A 89 32.401 22.128 35.137 1.00 0.00 H new ATOM 0 HG22 ILE A 89 33.086 23.747 35.408 1.00 0.00 H new ATOM 0 HG23 ILE A 89 33.329 22.929 33.847 1.00 0.00 H new ATOM 0 HD11 ILE A 89 35.924 18.976 34.818 1.00 0.00 H new ATOM 0 HD12 ILE A 89 36.805 20.518 34.933 1.00 0.00 H new ATOM 0 HD13 ILE A 89 35.967 19.863 36.360 1.00 0.00 H new ATOM 1292 N LYS A 90 36.791 22.507 33.014 1.00 0.00 N ATOM 1293 CA LYS A 90 37.422 22.776 31.718 1.00 0.00 C ATOM 1294 C LYS A 90 37.318 21.597 30.734 1.00 0.00 C ATOM 1295 O LYS A 90 36.794 20.543 31.084 1.00 0.00 O ATOM 1296 CB LYS A 90 38.882 23.209 31.981 1.00 0.00 C ATOM 1297 CG LYS A 90 39.668 22.478 33.086 1.00 0.00 C ATOM 1298 CD LYS A 90 39.970 21.013 32.748 1.00 0.00 C ATOM 1299 CE LYS A 90 40.937 20.440 33.787 1.00 0.00 C ATOM 1300 NZ LYS A 90 41.415 19.087 33.427 1.00 0.00 N ATOM 0 H LYS A 90 37.018 21.577 33.366 1.00 0.00 H new ATOM 0 HA LYS A 90 36.884 23.582 31.219 1.00 0.00 H new ATOM 0 HB2 LYS A 90 39.436 23.098 31.049 1.00 0.00 H new ATOM 0 HB3 LYS A 90 38.876 24.272 32.223 1.00 0.00 H new ATOM 0 HG2 LYS A 90 40.606 23.004 33.263 1.00 0.00 H new ATOM 0 HG3 LYS A 90 39.099 22.519 34.015 1.00 0.00 H new ATOM 0 HD2 LYS A 90 39.047 20.433 32.736 1.00 0.00 H new ATOM 0 HD3 LYS A 90 40.405 20.941 31.751 1.00 0.00 H new ATOM 0 HE2 LYS A 90 41.792 21.108 33.891 1.00 0.00 H new ATOM 0 HE3 LYS A 90 40.442 20.401 34.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 42.066 18.742 34.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 40.604 18.441 33.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 41.911 19.126 32.514 1.00 0.00 H new ATOM 1314 N MET A 91 37.794 21.778 29.500 1.00 0.00 N ATOM 1315 CA MET A 91 37.903 20.719 28.481 1.00 0.00 C ATOM 1316 C MET A 91 38.923 19.633 28.893 1.00 0.00 C ATOM 1317 O MET A 91 39.960 19.958 29.467 1.00 0.00 O ATOM 1318 CB MET A 91 38.332 21.332 27.136 1.00 0.00 C ATOM 1319 CG MET A 91 37.490 22.479 26.558 1.00 0.00 C ATOM 1320 SD MET A 91 35.752 22.175 26.153 1.00 0.00 S ATOM 1321 CE MET A 91 34.966 22.470 27.749 1.00 0.00 C ATOM 0 H MET A 91 38.123 22.685 29.169 1.00 0.00 H new ATOM 0 HA MET A 91 36.924 20.250 28.386 1.00 0.00 H new ATOM 0 HB2 MET A 91 39.355 21.693 27.246 1.00 0.00 H new ATOM 0 HB3 MET A 91 38.354 20.531 26.397 1.00 0.00 H new ATOM 0 HG2 MET A 91 37.522 23.303 27.271 1.00 0.00 H new ATOM 0 HG3 MET A 91 37.984 22.824 25.650 1.00 0.00 H new ATOM 0 HE1 MET A 91 33.913 22.707 27.598 1.00 0.00 H new ATOM 0 HE2 MET A 91 35.051 21.576 28.367 1.00 0.00 H new ATOM 0 HE3 MET A 91 35.458 23.305 28.248 1.00 0.00 H new ATOM 1331 N SER A 92 38.675 18.368 28.547 1.00 0.00 N ATOM 1332 CA SER A 92 39.561 17.203 28.752 1.00 0.00 C ATOM 1333 C SER A 92 39.227 16.074 27.763 1.00 0.00 C ATOM 1334 O SER A 92 38.259 16.170 27.013 1.00 0.00 O ATOM 1335 CB SER A 92 39.401 16.670 30.180 1.00 0.00 C ATOM 1336 OG SER A 92 38.071 16.225 30.393 1.00 0.00 O ATOM 0 H SER A 92 37.802 18.106 28.089 1.00 0.00 H new ATOM 0 HA SER A 92 40.587 17.530 28.585 1.00 0.00 H new ATOM 0 HB2 SER A 92 40.098 15.849 30.349 1.00 0.00 H new ATOM 0 HB3 SER A 92 39.649 17.452 30.897 1.00 0.00 H new ATOM 0 HG SER A 92 37.982 15.885 31.308 1.00 0.00 H new ATOM 1342 N LYS A 93 39.965 14.963 27.755 1.00 0.00 N ATOM 1343 CA LYS A 93 39.763 13.825 26.845 1.00 0.00 C ATOM 1344 C LYS A 93 38.361 13.185 26.921 1.00 0.00 C ATOM 1345 O LYS A 93 37.910 12.564 25.956 1.00 0.00 O ATOM 1346 CB LYS A 93 40.889 12.836 27.174 1.00 0.00 C ATOM 1347 CG LYS A 93 41.007 11.699 26.160 1.00 0.00 C ATOM 1348 CD LYS A 93 42.122 10.706 26.511 1.00 0.00 C ATOM 1349 CE LYS A 93 43.495 11.375 26.623 1.00 0.00 C ATOM 1350 NZ LYS A 93 44.568 10.361 26.680 1.00 0.00 N ATOM 0 H LYS A 93 40.744 14.822 28.399 1.00 0.00 H new ATOM 0 HA LYS A 93 39.807 14.161 25.809 1.00 0.00 H new ATOM 0 HB2 LYS A 93 41.836 13.375 27.218 1.00 0.00 H new ATOM 0 HB3 LYS A 93 40.716 12.415 28.164 1.00 0.00 H new ATOM 0 HG2 LYS A 93 40.057 11.167 26.104 1.00 0.00 H new ATOM 0 HG3 LYS A 93 41.197 12.117 25.172 1.00 0.00 H new ATOM 0 HD2 LYS A 93 41.883 10.216 27.455 1.00 0.00 H new ATOM 0 HD3 LYS A 93 42.163 9.927 25.749 1.00 0.00 H new ATOM 0 HE2 LYS A 93 43.655 12.033 25.769 1.00 0.00 H new ATOM 0 HE3 LYS A 93 43.529 11.998 27.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 45.490 10.835 26.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 44.424 9.750 27.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 44.546 9.783 25.816 1.00 0.00 H new ATOM 1364 N ASP A 94 37.626 13.400 28.015 1.00 0.00 N ATOM 1365 CA ASP A 94 36.245 12.922 28.191 1.00 0.00 C ATOM 1366 C ASP A 94 35.216 13.691 27.336 1.00 0.00 C ATOM 1367 O ASP A 94 34.087 13.229 27.154 1.00 0.00 O ATOM 1368 CB ASP A 94 35.832 13.053 29.668 1.00 0.00 C ATOM 1369 CG ASP A 94 36.548 12.083 30.617 1.00 0.00 C ATOM 1370 OD1 ASP A 94 36.736 10.888 30.282 1.00 0.00 O ATOM 1371 OD2 ASP A 94 36.952 12.526 31.720 1.00 0.00 O ATOM 0 H ASP A 94 37.977 13.920 28.820 1.00 0.00 H new ATOM 0 HA ASP A 94 36.241 11.882 27.864 1.00 0.00 H new ATOM 0 HB2 ASP A 94 36.026 14.074 29.997 1.00 0.00 H new ATOM 0 HB3 ASP A 94 34.757 12.892 29.747 1.00 0.00 H new ATOM 1376 N ILE A 95 35.582 14.875 26.832 1.00 0.00 N ATOM 1377 CA ILE A 95 34.661 15.861 26.251 1.00 0.00 C ATOM 1378 C ILE A 95 34.547 15.776 24.729 1.00 0.00 C ATOM 1379 O ILE A 95 33.983 16.686 24.147 1.00 0.00 O ATOM 1380 CB ILE A 95 35.035 17.310 26.666 1.00 0.00 C ATOM 1381 CG1 ILE A 95 36.246 17.867 25.873 1.00 0.00 C ATOM 1382 CG2 ILE A 95 35.231 17.432 28.189 1.00 0.00 C ATOM 1383 CD1 ILE A 95 35.955 18.975 24.859 1.00 0.00 C ATOM 0 H ILE A 95 36.554 15.183 26.816 1.00 0.00 H new ATOM 0 HA ILE A 95 33.684 15.607 26.661 1.00 0.00 H new ATOM 0 HB ILE A 95 34.186 17.939 26.399 1.00 0.00 H new ATOM 0 HG12 ILE A 95 36.976 18.245 26.589 1.00 0.00 H new ATOM 0 HG13 ILE A 95 36.717 17.038 25.345 1.00 0.00 H new ATOM 0 HG21 ILE A 95 35.492 18.460 28.441 1.00 0.00 H new ATOM 0 HG22 ILE A 95 34.307 17.157 28.698 1.00 0.00 H new ATOM 0 HG23 ILE A 95 36.033 16.766 28.507 1.00 0.00 H new ATOM 0 HD11 ILE A 95 36.883 19.276 24.373 1.00 0.00 H new ATOM 0 HD12 ILE A 95 35.255 18.607 24.109 1.00 0.00 H new ATOM 0 HD13 ILE A 95 35.519 19.832 25.372 1.00 0.00 H new ATOM 1395 N ASP A 96 35.135 14.778 24.069 1.00 0.00 N ATOM 1396 CA ASP A 96 35.441 14.743 22.625 1.00 0.00 C ATOM 1397 C ASP A 96 34.184 14.795 21.716 1.00 0.00 C ATOM 1398 O ASP A 96 33.795 13.798 21.100 1.00 0.00 O ATOM 1399 CB ASP A 96 36.333 13.505 22.418 1.00 0.00 C ATOM 1400 CG ASP A 96 36.886 13.276 21.005 1.00 0.00 C ATOM 1401 OD1 ASP A 96 37.142 14.248 20.257 1.00 0.00 O ATOM 1402 OD2 ASP A 96 37.179 12.104 20.669 1.00 0.00 O ATOM 0 H ASP A 96 35.429 13.925 24.545 1.00 0.00 H new ATOM 0 HA ASP A 96 35.969 15.644 22.314 1.00 0.00 H new ATOM 0 HB2 ASP A 96 37.176 13.576 23.105 1.00 0.00 H new ATOM 0 HB3 ASP A 96 35.761 12.623 22.705 1.00 0.00 H new ATOM 1407 N GLY A 97 33.556 15.978 21.643 1.00 0.00 N ATOM 1408 CA GLY A 97 32.223 16.258 21.062 1.00 0.00 C ATOM 1409 C GLY A 97 31.157 16.918 21.977 1.00 0.00 C ATOM 1410 O GLY A 97 29.979 16.933 21.619 1.00 0.00 O ATOM 0 H GLY A 97 33.990 16.824 22.011 1.00 0.00 H new ATOM 0 HA2 GLY A 97 32.365 16.903 20.195 1.00 0.00 H new ATOM 0 HA3 GLY A 97 31.813 15.317 20.696 1.00 0.00 H new ATOM 1414 N ILE A 98 31.525 17.447 23.151 1.00 0.00 N ATOM 1415 CA ILE A 98 30.659 18.061 24.178 1.00 0.00 C ATOM 1416 C ILE A 98 29.750 19.199 23.691 1.00 0.00 C ATOM 1417 O ILE A 98 30.115 19.993 22.819 1.00 0.00 O ATOM 1418 CB ILE A 98 31.547 18.529 25.360 1.00 0.00 C ATOM 1419 CG1 ILE A 98 30.795 18.871 26.668 1.00 0.00 C ATOM 1420 CG2 ILE A 98 32.508 19.660 24.950 1.00 0.00 C ATOM 1421 CD1 ILE A 98 30.615 20.354 27.024 1.00 0.00 C ATOM 0 H ILE A 98 32.505 17.460 23.433 1.00 0.00 H new ATOM 0 HA ILE A 98 29.958 17.286 24.487 1.00 0.00 H new ATOM 0 HB ILE A 98 32.135 17.645 25.607 1.00 0.00 H new ATOM 0 HG12 ILE A 98 29.805 18.417 26.614 1.00 0.00 H new ATOM 0 HG13 ILE A 98 31.321 18.390 27.492 1.00 0.00 H new ATOM 0 HG21 ILE A 98 33.110 19.956 25.809 1.00 0.00 H new ATOM 0 HG22 ILE A 98 33.163 19.310 24.152 1.00 0.00 H new ATOM 0 HG23 ILE A 98 31.933 20.516 24.598 1.00 0.00 H new ATOM 0 HD11 ILE A 98 30.071 20.439 27.965 1.00 0.00 H new ATOM 0 HD12 ILE A 98 31.593 20.825 27.126 1.00 0.00 H new ATOM 0 HD13 ILE A 98 30.053 20.852 26.234 1.00 0.00 H new ATOM 1433 N ARG A 99 28.594 19.339 24.351 1.00 0.00 N ATOM 1434 CA ARG A 99 27.686 20.493 24.261 1.00 0.00 C ATOM 1435 C ARG A 99 27.479 21.160 25.609 1.00 0.00 C ATOM 1436 O ARG A 99 27.446 20.497 26.649 1.00 0.00 O ATOM 1437 CB ARG A 99 26.273 20.027 23.838 1.00 0.00 C ATOM 1438 CG ARG A 99 25.463 21.028 22.994 1.00 0.00 C ATOM 1439 CD ARG A 99 23.950 20.784 23.130 1.00 0.00 C ATOM 1440 NE ARG A 99 23.508 19.612 22.357 1.00 0.00 N ATOM 1441 CZ ARG A 99 22.900 18.521 22.794 1.00 0.00 C ATOM 1442 NH1 ARG A 99 22.577 18.313 24.037 1.00 0.00 N ATOM 1443 NH2 ARG A 99 22.613 17.581 21.947 1.00 0.00 N ATOM 0 H ARG A 99 28.250 18.622 24.990 1.00 0.00 H new ATOM 0 HA ARG A 99 28.144 21.177 23.546 1.00 0.00 H new ATOM 0 HB2 ARG A 99 26.370 19.100 23.273 1.00 0.00 H new ATOM 0 HB3 ARG A 99 25.703 19.794 24.738 1.00 0.00 H new ATOM 0 HG2 ARG A 99 25.698 22.045 23.308 1.00 0.00 H new ATOM 0 HG3 ARG A 99 25.754 20.942 21.947 1.00 0.00 H new ATOM 0 HD2 ARG A 99 23.699 20.641 24.181 1.00 0.00 H new ATOM 0 HD3 ARG A 99 23.409 21.667 22.791 1.00 0.00 H new ATOM 0 HE ARG A 99 23.695 19.645 21.355 1.00 0.00 H new ATOM 0 HH11 ARG A 99 22.792 19.016 24.744 1.00 0.00 H new ATOM 0 HH12 ARG A 99 22.109 17.447 24.304 1.00 0.00 H new ATOM 0 HH21 ARG A 99 22.856 17.690 20.962 1.00 0.00 H new ATOM 0 HH22 ARG A 99 22.144 16.733 22.266 1.00 0.00 H new ATOM 1457 N VAL A 100 27.140 22.436 25.539 1.00 0.00 N ATOM 1458 CA VAL A 100 26.355 23.140 26.545 1.00 0.00 C ATOM 1459 C VAL A 100 25.340 24.078 25.891 1.00 0.00 C ATOM 1460 O VAL A 100 25.527 24.492 24.748 1.00 0.00 O ATOM 1461 CB VAL A 100 27.278 23.949 27.495 1.00 0.00 C ATOM 1462 CG1 VAL A 100 28.100 23.072 28.454 1.00 0.00 C ATOM 1463 CG2 VAL A 100 28.273 24.844 26.731 1.00 0.00 C ATOM 0 H VAL A 100 27.411 23.032 24.757 1.00 0.00 H new ATOM 0 HA VAL A 100 25.816 22.392 27.126 1.00 0.00 H new ATOM 0 HB VAL A 100 26.581 24.557 28.071 1.00 0.00 H new ATOM 0 HG11 VAL A 100 28.721 23.707 29.086 1.00 0.00 H new ATOM 0 HG12 VAL A 100 27.426 22.486 29.079 1.00 0.00 H new ATOM 0 HG13 VAL A 100 28.737 22.401 27.878 1.00 0.00 H new ATOM 0 HG21 VAL A 100 28.894 25.388 27.443 1.00 0.00 H new ATOM 0 HG22 VAL A 100 28.906 24.224 26.096 1.00 0.00 H new ATOM 0 HG23 VAL A 100 27.723 25.554 26.113 1.00 0.00 H new ATOM 1473 N ALA A 101 24.286 24.464 26.609 1.00 0.00 N ATOM 1474 CA ALA A 101 23.476 25.617 26.229 1.00 0.00 C ATOM 1475 C ALA A 101 23.800 26.836 27.110 1.00 0.00 C ATOM 1476 O ALA A 101 24.043 26.695 28.311 1.00 0.00 O ATOM 1477 CB ALA A 101 22.002 25.219 26.242 1.00 0.00 C ATOM 0 H ALA A 101 23.974 23.993 27.458 1.00 0.00 H new ATOM 0 HA ALA A 101 23.717 25.929 25.213 1.00 0.00 H new ATOM 0 HB1 ALA A 101 21.391 26.076 25.959 1.00 0.00 H new ATOM 0 HB2 ALA A 101 21.838 24.407 25.534 1.00 0.00 H new ATOM 0 HB3 ALA A 101 21.723 24.889 27.243 1.00 0.00 H new ATOM 1483 N LEU A 102 23.830 28.020 26.489 1.00 0.00 N ATOM 1484 CA LEU A 102 24.252 29.299 27.063 1.00 0.00 C ATOM 1485 C LEU A 102 23.231 30.476 26.948 1.00 0.00 C ATOM 1486 O LEU A 102 23.658 31.628 27.092 1.00 0.00 O ATOM 1487 CB LEU A 102 25.590 29.631 26.363 1.00 0.00 C ATOM 1488 CG LEU A 102 26.745 30.036 27.289 1.00 0.00 C ATOM 1489 CD1 LEU A 102 27.980 30.215 26.412 1.00 0.00 C ATOM 1490 CD2 LEU A 102 26.526 31.318 28.089 1.00 0.00 C ATOM 0 H LEU A 102 23.543 28.115 25.515 1.00 0.00 H new ATOM 0 HA LEU A 102 24.342 29.188 28.144 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.901 28.761 25.784 1.00 0.00 H new ATOM 0 HB3 LEU A 102 25.417 30.441 25.654 1.00 0.00 H new ATOM 0 HG LEU A 102 26.843 29.247 28.034 1.00 0.00 H new ATOM 0 HD11 LEU A 102 28.828 30.504 27.033 1.00 0.00 H new ATOM 0 HD12 LEU A 102 28.205 29.277 25.905 1.00 0.00 H new ATOM 0 HD13 LEU A 102 27.791 30.992 25.671 1.00 0.00 H new ATOM 0 HD21 LEU A 102 27.400 31.513 28.710 1.00 0.00 H new ATOM 0 HD22 LEU A 102 26.373 32.152 27.405 1.00 0.00 H new ATOM 0 HD23 LEU A 102 25.648 31.205 28.724 1.00 0.00 H new ATOM 1502 N PRO A 103 21.921 30.299 26.648 1.00 0.00 N ATOM 1503 CA PRO A 103 21.027 31.443 26.453 1.00 0.00 C ATOM 1504 C PRO A 103 20.718 32.186 27.765 1.00 0.00 C ATOM 1505 O PRO A 103 20.456 31.576 28.805 1.00 0.00 O ATOM 1506 CB PRO A 103 19.767 30.884 25.790 1.00 0.00 C ATOM 1507 CG PRO A 103 19.701 29.454 26.312 1.00 0.00 C ATOM 1508 CD PRO A 103 21.170 29.064 26.440 1.00 0.00 C ATOM 0 HA PRO A 103 21.499 32.198 25.825 1.00 0.00 H new ATOM 0 HB2 PRO A 103 18.880 31.454 26.066 1.00 0.00 H new ATOM 0 HB3 PRO A 103 19.838 30.912 24.703 1.00 0.00 H new ATOM 0 HG2 PRO A 103 19.184 29.398 27.270 1.00 0.00 H new ATOM 0 HG3 PRO A 103 19.168 28.798 25.624 1.00 0.00 H new ATOM 0 HD2 PRO A 103 21.316 28.378 27.275 1.00 0.00 H new ATOM 0 HD3 PRO A 103 21.513 28.550 25.542 1.00 0.00 H new ATOM 1516 N GLN A 104 20.715 33.519 27.686 1.00 0.00 N ATOM 1517 CA GLN A 104 20.306 34.451 28.745 1.00 0.00 C ATOM 1518 C GLN A 104 19.455 35.594 28.158 1.00 0.00 C ATOM 1519 O GLN A 104 19.310 35.714 26.936 1.00 0.00 O ATOM 1520 CB GLN A 104 21.545 35.010 29.473 1.00 0.00 C ATOM 1521 CG GLN A 104 22.320 33.938 30.254 1.00 0.00 C ATOM 1522 CD GLN A 104 23.291 34.556 31.253 1.00 0.00 C ATOM 1523 OE1 GLN A 104 23.043 34.591 32.454 1.00 0.00 O ATOM 1524 NE2 GLN A 104 24.411 35.084 30.817 1.00 0.00 N ATOM 0 H GLN A 104 21.013 34.004 26.840 1.00 0.00 H new ATOM 0 HA GLN A 104 19.697 33.911 29.469 1.00 0.00 H new ATOM 0 HB2 GLN A 104 22.210 35.471 28.743 1.00 0.00 H new ATOM 0 HB3 GLN A 104 21.231 35.796 30.160 1.00 0.00 H new ATOM 0 HG2 GLN A 104 21.617 33.293 30.782 1.00 0.00 H new ATOM 0 HG3 GLN A 104 22.870 33.306 29.556 1.00 0.00 H new ATOM 0 HE21 GLN A 104 24.631 35.063 29.821 1.00 0.00 H new ATOM 0 HE22 GLN A 104 25.061 35.516 31.474 1.00 0.00 H new ATOM 1533 N MET A 105 18.881 36.433 29.025 1.00 0.00 N ATOM 1534 CA MET A 105 18.038 37.572 28.638 1.00 0.00 C ATOM 1535 C MET A 105 18.778 38.659 27.831 1.00 0.00 C ATOM 1536 O MET A 105 19.963 38.934 28.047 1.00 0.00 O ATOM 1537 CB MET A 105 17.355 38.160 29.884 1.00 0.00 C ATOM 1538 CG MET A 105 18.339 38.721 30.920 1.00 0.00 C ATOM 1539 SD MET A 105 17.539 39.406 32.393 1.00 0.00 S ATOM 1540 CE MET A 105 17.090 37.880 33.261 1.00 0.00 C ATOM 0 H MET A 105 18.990 36.339 30.035 1.00 0.00 H new ATOM 0 HA MET A 105 17.282 37.185 27.955 1.00 0.00 H new ATOM 0 HB2 MET A 105 16.675 38.954 29.574 1.00 0.00 H new ATOM 0 HB3 MET A 105 16.748 37.386 30.354 1.00 0.00 H new ATOM 0 HG2 MET A 105 19.022 37.928 31.225 1.00 0.00 H new ATOM 0 HG3 MET A 105 18.942 39.498 30.451 1.00 0.00 H new ATOM 0 HE1 MET A 105 16.040 37.922 33.551 1.00 0.00 H new ATOM 0 HE2 MET A 105 17.251 37.026 32.603 1.00 0.00 H new ATOM 0 HE3 MET A 105 17.708 37.773 34.152 1.00 0.00 H new ATOM 1550 N THR A 106 18.060 39.340 26.933 1.00 0.00 N ATOM 1551 CA THR A 106 18.585 40.390 26.029 1.00 0.00 C ATOM 1552 C THR A 106 18.669 41.786 26.688 1.00 0.00 C ATOM 1553 O THR A 106 18.285 42.820 26.127 1.00 0.00 O ATOM 1554 CB THR A 106 17.877 40.311 24.663 1.00 0.00 C ATOM 1555 OG1 THR A 106 18.593 41.028 23.688 1.00 0.00 O ATOM 1556 CG2 THR A 106 16.415 40.747 24.621 1.00 0.00 C ATOM 0 H THR A 106 17.062 39.176 26.804 1.00 0.00 H new ATOM 0 HA THR A 106 19.637 40.192 25.822 1.00 0.00 H new ATOM 0 HB THR A 106 17.863 39.241 24.454 1.00 0.00 H new ATOM 0 HG1 THR A 106 18.128 40.964 22.828 1.00 0.00 H new ATOM 0 HG21 THR A 106 16.034 40.644 23.605 1.00 0.00 H new ATOM 0 HG22 THR A 106 15.829 40.121 25.294 1.00 0.00 H new ATOM 0 HG23 THR A 106 16.337 41.788 24.934 1.00 0.00 H new ATOM 1564 N ARG A 107 19.170 41.794 27.932 1.00 0.00 N ATOM 1565 CA ARG A 107 19.351 42.938 28.842 1.00 0.00 C ATOM 1566 C ARG A 107 20.739 43.590 28.635 1.00 0.00 C ATOM 1567 O ARG A 107 21.094 43.895 27.495 1.00 0.00 O ATOM 1568 CB ARG A 107 19.009 42.444 30.270 1.00 0.00 C ATOM 1569 CG ARG A 107 18.718 43.561 31.288 1.00 0.00 C ATOM 1570 CD ARG A 107 18.096 43.043 32.597 1.00 0.00 C ATOM 1571 NE ARG A 107 18.989 42.119 33.325 1.00 0.00 N ATOM 1572 CZ ARG A 107 20.028 42.441 34.072 1.00 0.00 C ATOM 1573 NH1 ARG A 107 20.325 43.674 34.362 1.00 0.00 N ATOM 1574 NH2 ARG A 107 20.810 41.511 34.528 1.00 0.00 N ATOM 0 H ARG A 107 19.486 40.927 28.366 1.00 0.00 H new ATOM 0 HA ARG A 107 18.672 43.765 28.633 1.00 0.00 H new ATOM 0 HB2 ARG A 107 18.140 41.788 30.214 1.00 0.00 H new ATOM 0 HB3 ARG A 107 19.839 41.842 30.640 1.00 0.00 H new ATOM 0 HG2 ARG A 107 19.646 44.085 31.517 1.00 0.00 H new ATOM 0 HG3 ARG A 107 18.044 44.289 30.836 1.00 0.00 H new ATOM 0 HD2 ARG A 107 17.854 43.890 33.239 1.00 0.00 H new ATOM 0 HD3 ARG A 107 17.158 42.535 32.373 1.00 0.00 H new ATOM 0 HE ARG A 107 18.780 41.124 33.241 1.00 0.00 H new ATOM 0 HH11 ARG A 107 19.745 44.435 34.008 1.00 0.00 H new ATOM 0 HH12 ARG A 107 21.138 43.880 34.943 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.621 40.533 34.309 1.00 0.00 H new ATOM 0 HH22 ARG A 107 21.614 41.758 35.106 1.00 0.00 H new ATOM 1588 N ASN A 108 21.517 43.806 29.702 1.00 0.00 N ATOM 1589 CA ASN A 108 22.790 44.545 29.703 1.00 0.00 C ATOM 1590 C ASN A 108 23.988 43.725 30.249 1.00 0.00 C ATOM 1591 O ASN A 108 24.827 44.245 30.989 1.00 0.00 O ATOM 1592 CB ASN A 108 22.576 45.888 30.432 1.00 0.00 C ATOM 1593 CG ASN A 108 23.744 46.853 30.279 1.00 0.00 C ATOM 1594 OD1 ASN A 108 24.383 46.941 29.236 1.00 0.00 O ATOM 1595 ND2 ASN A 108 24.041 47.619 31.304 1.00 0.00 N ATOM 0 H ASN A 108 21.269 43.457 30.628 1.00 0.00 H new ATOM 0 HA ASN A 108 23.079 44.746 28.671 1.00 0.00 H new ATOM 0 HB2 ASN A 108 21.672 46.361 30.049 1.00 0.00 H new ATOM 0 HB3 ASN A 108 22.410 45.695 31.492 1.00 0.00 H new ATOM 0 HD21 ASN A 108 24.806 48.290 31.234 1.00 0.00 H new ATOM 0 HD22 ASN A 108 23.507 47.542 32.170 1.00 0.00 H new ATOM 1602 N VAL A 109 24.069 42.428 29.929 1.00 0.00 N ATOM 1603 CA VAL A 109 25.217 41.578 30.294 1.00 0.00 C ATOM 1604 C VAL A 109 26.322 41.698 29.233 1.00 0.00 C ATOM 1605 O VAL A 109 26.264 41.084 28.162 1.00 0.00 O ATOM 1606 CB VAL A 109 24.791 40.118 30.549 1.00 0.00 C ATOM 1607 CG1 VAL A 109 25.981 39.270 31.013 1.00 0.00 C ATOM 1608 CG2 VAL A 109 23.706 40.022 31.631 1.00 0.00 C ATOM 0 H VAL A 109 23.343 41.935 29.410 1.00 0.00 H new ATOM 0 HA VAL A 109 25.627 41.935 31.239 1.00 0.00 H new ATOM 0 HB VAL A 109 24.402 39.745 29.601 1.00 0.00 H new ATOM 0 HG11 VAL A 109 25.652 38.245 31.185 1.00 0.00 H new ATOM 0 HG12 VAL A 109 26.755 39.278 30.246 1.00 0.00 H new ATOM 0 HG13 VAL A 109 26.383 39.683 31.938 1.00 0.00 H new ATOM 0 HG21 VAL A 109 23.433 38.977 31.781 1.00 0.00 H new ATOM 0 HG22 VAL A 109 24.086 40.436 32.565 1.00 0.00 H new ATOM 0 HG23 VAL A 109 22.827 40.585 31.316 1.00 0.00 H new ATOM 1618 N ASN A 110 27.352 42.490 29.538 1.00 0.00 N ATOM 1619 CA ASN A 110 28.564 42.666 28.726 1.00 0.00 C ATOM 1620 C ASN A 110 29.800 42.861 29.621 1.00 0.00 C ATOM 1621 O ASN A 110 29.714 43.506 30.668 1.00 0.00 O ATOM 1622 CB ASN A 110 28.386 43.869 27.776 1.00 0.00 C ATOM 1623 CG ASN A 110 29.440 43.900 26.679 1.00 0.00 C ATOM 1624 OD1 ASN A 110 30.367 44.700 26.668 1.00 0.00 O ATOM 1625 ND2 ASN A 110 29.333 43.012 25.722 1.00 0.00 N ATOM 0 H ASN A 110 27.368 43.050 30.391 1.00 0.00 H new ATOM 0 HA ASN A 110 28.721 41.766 28.132 1.00 0.00 H new ATOM 0 HB2 ASN A 110 27.395 43.828 27.324 1.00 0.00 H new ATOM 0 HB3 ASN A 110 28.436 44.794 28.351 1.00 0.00 H new ATOM 0 HD21 ASN A 110 30.021 42.988 24.969 1.00 0.00 H new ATOM 0 HD22 ASN A 110 28.562 42.345 25.729 1.00 0.00 H new ATOM 1632 N ASN A 111 30.956 42.341 29.212 1.00 0.00 N ATOM 1633 CA ASN A 111 32.225 42.530 29.922 1.00 0.00 C ATOM 1634 C ASN A 111 32.613 44.020 30.065 1.00 0.00 C ATOM 1635 O ASN A 111 32.426 44.807 29.135 1.00 0.00 O ATOM 1636 CB ASN A 111 33.328 41.716 29.219 1.00 0.00 C ATOM 1637 CG ASN A 111 33.652 42.223 27.821 1.00 0.00 C ATOM 1638 OD1 ASN A 111 34.466 43.117 27.635 1.00 0.00 O ATOM 1639 ND2 ASN A 111 32.991 41.718 26.805 1.00 0.00 N ATOM 0 H ASN A 111 31.041 41.771 28.371 1.00 0.00 H new ATOM 0 HA ASN A 111 32.103 42.162 30.941 1.00 0.00 H new ATOM 0 HB2 ASN A 111 34.233 41.743 29.826 1.00 0.00 H new ATOM 0 HB3 ASN A 111 33.017 40.673 29.157 1.00 0.00 H new ATOM 0 HD21 ASN A 111 33.157 42.071 25.863 1.00 0.00 H new ATOM 0 HD22 ASN A 111 32.312 40.973 26.958 1.00 0.00 H new ATOM 1646 N ASN A 112 33.199 44.395 31.207 1.00 0.00 N ATOM 1647 CA ASN A 112 33.931 45.656 31.379 1.00 0.00 C ATOM 1648 C ASN A 112 35.435 45.384 31.191 1.00 0.00 C ATOM 1649 O ASN A 112 36.195 45.364 32.164 1.00 0.00 O ATOM 1650 CB ASN A 112 33.577 46.301 32.738 1.00 0.00 C ATOM 1651 CG ASN A 112 34.292 47.631 32.956 1.00 0.00 C ATOM 1652 OD1 ASN A 112 34.880 48.208 32.052 1.00 0.00 O ATOM 1653 ND2 ASN A 112 34.279 48.153 34.159 1.00 0.00 N ATOM 0 H ASN A 112 33.178 43.823 32.051 1.00 0.00 H new ATOM 0 HA ASN A 112 33.637 46.385 30.624 1.00 0.00 H new ATOM 0 HB2 ASN A 112 32.500 46.458 32.793 1.00 0.00 H new ATOM 0 HB3 ASN A 112 33.840 45.614 33.542 1.00 0.00 H new ATOM 0 HD21 ASN A 112 34.758 49.036 34.337 1.00 0.00 H new ATOM 0 HD22 ASN A 112 33.790 47.676 34.917 1.00 0.00 H new ATOM 1660 N ASP A 113 35.833 45.132 29.940 1.00 0.00 N ATOM 1661 CA ASP A 113 37.094 44.493 29.530 1.00 0.00 C ATOM 1662 C ASP A 113 37.227 43.011 29.954 1.00 0.00 C ATOM 1663 O ASP A 113 36.649 42.560 30.948 1.00 0.00 O ATOM 1664 CB ASP A 113 38.310 45.351 29.933 1.00 0.00 C ATOM 1665 CG ASP A 113 39.605 44.954 29.221 1.00 0.00 C ATOM 1666 OD1 ASP A 113 39.570 44.471 28.068 1.00 0.00 O ATOM 1667 OD2 ASP A 113 40.696 45.153 29.806 1.00 0.00 O ATOM 0 H ASP A 113 35.253 45.381 29.139 1.00 0.00 H new ATOM 0 HA ASP A 113 37.070 44.449 28.441 1.00 0.00 H new ATOM 0 HB2 ASP A 113 38.093 46.397 29.717 1.00 0.00 H new ATOM 0 HB3 ASP A 113 38.459 45.272 31.010 1.00 0.00 H new ATOM 1672 N PHE A 114 37.996 42.244 29.177 1.00 0.00 N ATOM 1673 CA PHE A 114 38.243 40.811 29.375 1.00 0.00 C ATOM 1674 C PHE A 114 39.669 40.413 28.932 1.00 0.00 C ATOM 1675 O PHE A 114 40.465 41.258 28.502 1.00 0.00 O ATOM 1676 CB PHE A 114 37.143 40.009 28.645 1.00 0.00 C ATOM 1677 CG PHE A 114 37.130 38.524 28.967 1.00 0.00 C ATOM 1678 CD1 PHE A 114 36.845 38.093 30.279 1.00 0.00 C ATOM 1679 CD2 PHE A 114 37.496 37.577 27.990 1.00 0.00 C ATOM 1680 CE1 PHE A 114 36.926 36.728 30.606 1.00 0.00 C ATOM 1681 CE2 PHE A 114 37.589 36.214 28.323 1.00 0.00 C ATOM 1682 CZ PHE A 114 37.302 35.788 29.632 1.00 0.00 C ATOM 0 H PHE A 114 38.483 42.617 28.362 1.00 0.00 H new ATOM 0 HA PHE A 114 38.193 40.574 30.438 1.00 0.00 H new ATOM 0 HB2 PHE A 114 36.172 40.432 28.901 1.00 0.00 H new ATOM 0 HB3 PHE A 114 37.272 40.134 27.570 1.00 0.00 H new ATOM 0 HD1 PHE A 114 36.564 38.813 31.034 1.00 0.00 H new ATOM 0 HD2 PHE A 114 37.706 37.899 26.981 1.00 0.00 H new ATOM 0 HE1 PHE A 114 36.698 36.401 31.610 1.00 0.00 H new ATOM 0 HE2 PHE A 114 37.881 35.494 27.573 1.00 0.00 H new ATOM 0 HZ PHE A 114 37.370 34.741 29.888 1.00 0.00 H new ATOM 1692 N SER A 115 40.006 39.129 29.078 1.00 0.00 N ATOM 1693 CA SER A 115 41.319 38.504 28.849 1.00 0.00 C ATOM 1694 C SER A 115 41.804 38.589 27.400 1.00 0.00 C ATOM 1695 O SER A 115 41.057 38.222 26.465 1.00 0.00 O ATOM 1696 CB SER A 115 41.252 37.051 29.331 1.00 0.00 C ATOM 1697 OG SER A 115 40.840 37.050 30.692 1.00 0.00 O ATOM 1698 OXT SER A 115 42.939 39.080 27.206 1.00 0.00 O ATOM 0 H SER A 115 39.316 38.442 29.383 1.00 0.00 H new ATOM 0 HA SER A 115 42.060 39.064 29.420 1.00 0.00 H new ATOM 0 HB2 SER A 115 40.551 36.481 28.722 1.00 0.00 H new ATOM 0 HB3 SER A 115 42.226 36.572 29.229 1.00 0.00 H new ATOM 0 HG SER A 115 40.790 36.127 31.018 1.00 0.00 H new TER 1704 SER A 115 HETATM 1705 FE1 FES A 201 32.704 33.852 36.481 1.00 0.00 FE HETATM 1706 FE2 FES A 201 32.438 31.385 36.865 1.00 0.00 FE HETATM 1707 S1 FES A 201 31.881 32.950 38.294 1.00 0.00 S HETATM 1708 S2 FES A 201 33.255 32.302 35.048 1.00 0.00 S