USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 732 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 26 MET CE :methyl -135:sc= -0.626 (180deg=-1.64) USER MOD Set 1.2: A 46 TYR OH : rot 62:sc= 0.394 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00118 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.078) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.05) USER MOD Single : A 19 CYS SG : rot 34:sc= 0.279 USER MOD Single : A 20 GLN : amide:sc=-0.000744 K(o=-0.00074,f=-1.2) USER MOD Single : A 24 CYS SG : rot 112:sc= 0.00311 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 47 SER OG : rot 180:sc=-0.00109 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 62:sc= 0.102 USER MOD Single : A 57 GLN : amide:sc= -0.0292 K(o=-0.029,f=-1.5!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= -0.0965 (180deg=-0.12) USER MOD Single : A 70 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00685 USER MOD Single : A 83 GLN : amide:sc= 0.805 K(o=0.81,f=-2.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00997 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.440 -0.362 33.968 1.00 0.00 N ATOM 2 CA GLY A 1 24.505 0.927 33.304 1.00 0.00 C ATOM 3 C GLY A 1 24.780 2.063 34.269 1.00 0.00 C ATOM 4 O GLY A 1 24.112 3.096 34.229 1.00 0.00 O ATOM 0 H1 GLY A 1 24.250 -1.105 33.266 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.346 -0.555 34.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.677 -0.350 34.675 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.287 0.902 32.545 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.564 1.114 32.787 1.00 0.00 H new ATOM 8 N SER A 2 25.764 1.871 35.142 1.00 0.00 N ATOM 9 CA SER A 2 26.122 2.886 36.125 1.00 0.00 C ATOM 10 C SER A 2 27.545 3.387 35.896 1.00 0.00 C ATOM 11 O SER A 2 28.425 3.198 36.736 1.00 0.00 O ATOM 12 CB SER A 2 25.990 2.323 37.542 1.00 0.00 C ATOM 13 OG SER A 2 25.796 3.361 38.487 1.00 0.00 O ATOM 0 H SER A 2 26.327 1.022 35.188 1.00 0.00 H new ATOM 0 HA SER A 2 25.437 3.726 36.009 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.152 1.628 37.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.886 1.758 37.797 1.00 0.00 H new ATOM 0 HG SER A 2 25.713 2.975 39.384 1.00 0.00 H new ATOM 19 N SER A 3 27.763 4.027 34.751 1.00 0.00 N ATOM 20 CA SER A 3 29.080 4.552 34.408 1.00 0.00 C ATOM 21 C SER A 3 28.959 5.885 33.675 1.00 0.00 C ATOM 22 O SER A 3 27.917 6.197 33.099 1.00 0.00 O ATOM 23 CB SER A 3 29.842 3.548 33.541 1.00 0.00 C ATOM 24 OG SER A 3 29.777 2.245 34.093 1.00 0.00 O ATOM 0 H SER A 3 27.045 4.194 34.046 1.00 0.00 H new ATOM 0 HA SER A 3 29.632 4.715 35.334 1.00 0.00 H new ATOM 0 HB2 SER A 3 29.424 3.541 32.534 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.883 3.857 33.452 1.00 0.00 H new ATOM 0 HG SER A 3 30.270 1.622 33.520 1.00 0.00 H new ATOM 30 N GLY A 4 30.033 6.668 33.703 1.00 0.00 N ATOM 31 CA GLY A 4 30.027 7.958 33.038 1.00 0.00 C ATOM 32 C GLY A 4 30.807 9.008 33.804 1.00 0.00 C ATOM 33 O GLY A 4 32.023 9.121 33.653 1.00 0.00 O ATOM 0 H GLY A 4 30.907 6.432 34.174 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.451 7.851 32.040 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.998 8.294 32.912 1.00 0.00 H new ATOM 37 N SER A 5 30.106 9.780 34.629 1.00 0.00 N ATOM 38 CA SER A 5 30.739 10.830 35.417 1.00 0.00 C ATOM 39 C SER A 5 29.784 11.360 36.482 1.00 0.00 C ATOM 40 O SER A 5 28.607 11.598 36.213 1.00 0.00 O ATOM 41 CB SER A 5 31.195 11.974 34.510 1.00 0.00 C ATOM 42 OG SER A 5 30.277 12.181 33.450 1.00 0.00 O ATOM 0 H SER A 5 29.099 9.697 34.769 1.00 0.00 H new ATOM 0 HA SER A 5 31.609 10.402 35.914 1.00 0.00 H new ATOM 0 HB2 SER A 5 31.293 12.889 35.094 1.00 0.00 H new ATOM 0 HB3 SER A 5 32.181 11.749 34.103 1.00 0.00 H new ATOM 0 HG SER A 5 30.590 12.918 32.886 1.00 0.00 H new ATOM 48 N SER A 6 30.301 11.544 37.693 1.00 0.00 N ATOM 49 CA SER A 6 29.494 12.042 38.801 1.00 0.00 C ATOM 50 C SER A 6 29.364 13.561 38.737 1.00 0.00 C ATOM 51 O SER A 6 30.159 14.237 38.086 1.00 0.00 O ATOM 52 CB SER A 6 30.113 11.628 40.137 1.00 0.00 C ATOM 53 OG SER A 6 29.124 11.145 41.030 1.00 0.00 O ATOM 0 H SER A 6 31.275 11.356 37.932 1.00 0.00 H new ATOM 0 HA SER A 6 28.499 11.605 38.719 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.864 10.856 39.970 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.625 12.480 40.583 1.00 0.00 H new ATOM 0 HG SER A 6 29.546 10.885 41.876 1.00 0.00 H new ATOM 59 N GLY A 7 28.352 14.091 39.419 1.00 0.00 N ATOM 60 CA GLY A 7 28.135 15.526 39.427 1.00 0.00 C ATOM 61 C GLY A 7 26.909 15.931 38.633 1.00 0.00 C ATOM 62 O GLY A 7 25.910 16.371 39.201 1.00 0.00 O ATOM 0 H GLY A 7 27.680 13.552 39.965 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.027 15.868 40.456 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.012 16.025 39.015 1.00 0.00 H new ATOM 66 N ASN A 8 26.985 15.784 37.314 1.00 0.00 N ATOM 67 CA ASN A 8 25.873 16.140 36.440 1.00 0.00 C ATOM 68 C ASN A 8 25.438 14.944 35.598 1.00 0.00 C ATOM 69 O ASN A 8 25.889 13.820 35.820 1.00 0.00 O ATOM 70 CB ASN A 8 26.267 17.304 35.528 1.00 0.00 C ATOM 71 CG ASN A 8 25.173 18.348 35.418 1.00 0.00 C ATOM 72 OD1 ASN A 8 24.743 18.700 34.320 1.00 0.00 O ATOM 73 ND2 ASN A 8 24.718 18.850 36.561 1.00 0.00 N ATOM 0 H ASN A 8 27.805 15.421 36.827 1.00 0.00 H new ATOM 0 HA ASN A 8 25.034 16.445 37.066 1.00 0.00 H new ATOM 0 HB2 ASN A 8 27.174 17.771 35.911 1.00 0.00 H new ATOM 0 HB3 ASN A 8 26.501 16.921 34.535 1.00 0.00 H new ATOM 0 HD21 ASN A 8 23.983 19.557 36.551 1.00 0.00 H new ATOM 0 HD22 ASN A 8 25.104 18.528 37.449 1.00 0.00 H new ATOM 80 N ILE A 9 24.560 15.195 34.633 1.00 0.00 N ATOM 81 CA ILE A 9 24.066 14.140 33.758 1.00 0.00 C ATOM 82 C ILE A 9 23.264 14.719 32.597 1.00 0.00 C ATOM 83 O ILE A 9 22.495 15.663 32.771 1.00 0.00 O ATOM 84 CB ILE A 9 23.185 13.137 34.526 1.00 0.00 C ATOM 85 CG1 ILE A 9 22.723 12.013 33.597 1.00 0.00 C ATOM 86 CG2 ILE A 9 21.988 13.848 35.142 1.00 0.00 C ATOM 87 CD1 ILE A 9 21.358 12.253 32.990 1.00 0.00 C ATOM 0 H ILE A 9 24.176 16.120 34.438 1.00 0.00 H new ATOM 0 HA ILE A 9 24.940 13.619 33.368 1.00 0.00 H new ATOM 0 HB ILE A 9 23.776 12.698 35.329 1.00 0.00 H new ATOM 0 HG12 ILE A 9 23.452 11.892 32.796 1.00 0.00 H new ATOM 0 HG13 ILE A 9 22.704 11.077 34.154 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.374 13.127 35.682 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.337 14.616 35.832 1.00 0.00 H new ATOM 0 HG23 ILE A 9 21.395 14.311 34.354 1.00 0.00 H new ATOM 0 HD11 ILE A 9 21.095 11.416 32.343 1.00 0.00 H new ATOM 0 HD12 ILE A 9 20.617 12.344 33.785 1.00 0.00 H new ATOM 0 HD13 ILE A 9 21.377 13.172 32.405 1.00 0.00 H new ATOM 99 N MET A 10 23.449 14.145 31.413 1.00 0.00 N ATOM 100 CA MET A 10 22.740 14.602 30.223 1.00 0.00 C ATOM 101 C MET A 10 23.130 16.035 29.876 1.00 0.00 C ATOM 102 O MET A 10 23.568 16.797 30.739 1.00 0.00 O ATOM 103 CB MET A 10 21.228 14.510 30.438 1.00 0.00 C ATOM 104 CG MET A 10 20.418 14.797 29.184 1.00 0.00 C ATOM 105 SD MET A 10 19.768 16.479 29.147 1.00 0.00 S ATOM 106 CE MET A 10 18.023 16.173 29.410 1.00 0.00 C ATOM 0 H MET A 10 24.084 13.363 31.252 1.00 0.00 H new ATOM 0 HA MET A 10 23.021 13.956 29.391 1.00 0.00 H new ATOM 0 HB2 MET A 10 20.981 13.512 30.800 1.00 0.00 H new ATOM 0 HB3 MET A 10 20.937 15.213 31.218 1.00 0.00 H new ATOM 0 HG2 MET A 10 21.044 14.634 28.307 1.00 0.00 H new ATOM 0 HG3 MET A 10 19.591 14.090 29.121 1.00 0.00 H new ATOM 0 HE1 MET A 10 17.484 17.120 29.413 1.00 0.00 H new ATOM 0 HE2 MET A 10 17.640 15.540 28.610 1.00 0.00 H new ATOM 0 HE3 MET A 10 17.882 15.672 30.368 1.00 0.00 H new ATOM 116 N LEU A 11 22.967 16.397 28.608 1.00 0.00 N ATOM 117 CA LEU A 11 23.303 17.739 28.146 1.00 0.00 C ATOM 118 C LEU A 11 22.829 17.956 26.712 1.00 0.00 C ATOM 119 O LEU A 11 21.889 18.712 26.465 1.00 0.00 O ATOM 120 CB LEU A 11 24.812 17.969 28.237 1.00 0.00 C ATOM 121 CG LEU A 11 25.323 19.299 27.683 1.00 0.00 C ATOM 122 CD1 LEU A 11 26.078 20.069 28.755 1.00 0.00 C ATOM 123 CD2 LEU A 11 26.209 19.066 26.468 1.00 0.00 C ATOM 0 H LEU A 11 22.604 15.780 27.882 1.00 0.00 H new ATOM 0 HA LEU A 11 22.794 18.456 28.790 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.108 17.897 29.284 1.00 0.00 H new ATOM 0 HB3 LEU A 11 25.315 17.160 27.707 1.00 0.00 H new ATOM 0 HG LEU A 11 24.465 19.895 27.373 1.00 0.00 H new ATOM 0 HD11 LEU A 11 26.434 21.013 28.342 1.00 0.00 H new ATOM 0 HD12 LEU A 11 25.414 20.268 29.596 1.00 0.00 H new ATOM 0 HD13 LEU A 11 26.928 19.478 29.096 1.00 0.00 H new ATOM 0 HD21 LEU A 11 26.563 20.024 26.087 1.00 0.00 H new ATOM 0 HD22 LEU A 11 27.062 18.450 26.753 1.00 0.00 H new ATOM 0 HD23 LEU A 11 25.637 18.557 25.693 1.00 0.00 H new ATOM 135 N LEU A 12 23.486 17.286 25.771 1.00 0.00 N ATOM 136 CA LEU A 12 23.131 17.403 24.361 1.00 0.00 C ATOM 137 C LEU A 12 23.230 18.852 23.892 1.00 0.00 C ATOM 138 O LEU A 12 23.549 19.748 24.674 1.00 0.00 O ATOM 139 CB LEU A 12 21.714 16.876 24.125 1.00 0.00 C ATOM 140 CG LEU A 12 21.612 15.471 23.530 1.00 0.00 C ATOM 141 CD1 LEU A 12 22.084 15.468 22.084 1.00 0.00 C ATOM 142 CD2 LEU A 12 22.417 14.481 24.358 1.00 0.00 C ATOM 0 H LEU A 12 24.267 16.657 25.959 1.00 0.00 H new ATOM 0 HA LEU A 12 23.836 16.804 23.785 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.181 16.886 25.076 1.00 0.00 H new ATOM 0 HB3 LEU A 12 21.196 17.569 23.462 1.00 0.00 H new ATOM 0 HG LEU A 12 20.566 15.164 23.550 1.00 0.00 H new ATOM 0 HD11 LEU A 12 22.004 14.460 21.677 1.00 0.00 H new ATOM 0 HD12 LEU A 12 21.464 16.146 21.497 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.123 15.796 22.040 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.333 13.487 23.920 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.464 14.784 24.371 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.032 14.462 25.378 1.00 0.00 H new ATOM 154 N LYS A 13 22.954 19.074 22.612 1.00 0.00 N ATOM 155 CA LYS A 13 23.009 20.414 22.039 1.00 0.00 C ATOM 156 C LYS A 13 21.608 20.928 21.721 1.00 0.00 C ATOM 157 O LYS A 13 20.810 20.236 21.088 1.00 0.00 O ATOM 158 CB LYS A 13 23.863 20.413 20.769 1.00 0.00 C ATOM 159 CG LYS A 13 25.306 20.003 21.008 1.00 0.00 C ATOM 160 CD LYS A 13 25.514 18.520 20.750 1.00 0.00 C ATOM 161 CE LYS A 13 25.507 18.207 19.261 1.00 0.00 C ATOM 162 NZ LYS A 13 24.460 17.208 18.910 1.00 0.00 N ATOM 0 H LYS A 13 22.690 18.343 21.951 1.00 0.00 H new ATOM 0 HA LYS A 13 23.463 21.078 22.775 1.00 0.00 H new ATOM 0 HB2 LYS A 13 23.417 19.735 20.042 1.00 0.00 H new ATOM 0 HB3 LYS A 13 23.845 21.410 20.328 1.00 0.00 H new ATOM 0 HG2 LYS A 13 25.962 20.582 20.358 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.587 20.238 22.035 1.00 0.00 H new ATOM 0 HD2 LYS A 13 26.462 18.203 21.185 1.00 0.00 H new ATOM 0 HD3 LYS A 13 24.729 17.950 21.247 1.00 0.00 H new ATOM 0 HE2 LYS A 13 25.337 19.125 18.698 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.485 17.828 18.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 24.487 17.021 17.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 24.636 16.324 19.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 23.524 17.580 19.169 1.00 0.00 H new ATOM 176 N LYS A 14 21.315 22.146 22.164 1.00 0.00 N ATOM 177 CA LYS A 14 20.011 22.754 21.925 1.00 0.00 C ATOM 178 C LYS A 14 20.085 24.271 22.065 1.00 0.00 C ATOM 179 O LYS A 14 19.508 25.008 21.266 1.00 0.00 O ATOM 180 CB LYS A 14 18.976 22.190 22.900 1.00 0.00 C ATOM 181 CG LYS A 14 17.641 21.867 22.251 1.00 0.00 C ATOM 182 CD LYS A 14 16.639 21.345 23.266 1.00 0.00 C ATOM 183 CE LYS A 14 15.520 22.346 23.510 1.00 0.00 C ATOM 184 NZ LYS A 14 14.604 21.900 24.596 1.00 0.00 N ATOM 0 H LYS A 14 21.963 22.732 22.691 1.00 0.00 H new ATOM 0 HA LYS A 14 19.707 22.515 20.906 1.00 0.00 H new ATOM 0 HB2 LYS A 14 19.376 21.285 23.358 1.00 0.00 H new ATOM 0 HB3 LYS A 14 18.815 22.910 23.703 1.00 0.00 H new ATOM 0 HG2 LYS A 14 17.243 22.761 21.772 1.00 0.00 H new ATOM 0 HG3 LYS A 14 17.787 21.124 21.467 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.217 20.405 22.912 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.149 21.131 24.205 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.949 23.314 23.771 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.952 22.487 22.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.855 22.609 24.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.175 20.989 24.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.141 21.790 25.480 1.00 0.00 H new ATOM 198 N LYS A 15 20.799 24.732 23.086 1.00 0.00 N ATOM 199 CA LYS A 15 20.951 26.161 23.331 1.00 0.00 C ATOM 200 C LYS A 15 22.299 26.661 22.819 1.00 0.00 C ATOM 201 O LYS A 15 23.349 26.169 23.230 1.00 0.00 O ATOM 202 CB LYS A 15 20.819 26.460 24.826 1.00 0.00 C ATOM 203 CG LYS A 15 20.891 27.941 25.159 1.00 0.00 C ATOM 204 CD LYS A 15 19.716 28.702 24.569 1.00 0.00 C ATOM 205 CE LYS A 15 19.197 29.759 25.532 1.00 0.00 C ATOM 206 NZ LYS A 15 17.966 30.421 25.019 1.00 0.00 N ATOM 0 H LYS A 15 21.282 24.136 23.758 1.00 0.00 H new ATOM 0 HA LYS A 15 20.161 26.683 22.791 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.870 26.061 25.185 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.609 25.936 25.364 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.904 28.071 26.241 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.824 28.356 24.777 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.020 29.176 23.636 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.914 28.005 24.326 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.986 29.299 26.497 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.970 30.509 25.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.644 31.134 25.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.173 30.882 24.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.220 29.709 24.884 1.00 0.00 H new ATOM 220 N GLN A 16 22.259 27.640 21.922 1.00 0.00 N ATOM 221 CA GLN A 16 23.478 28.206 21.355 1.00 0.00 C ATOM 222 C GLN A 16 23.761 29.586 21.940 1.00 0.00 C ATOM 223 O GLN A 16 23.531 30.605 21.290 1.00 0.00 O ATOM 224 CB GLN A 16 23.363 28.298 19.833 1.00 0.00 C ATOM 225 CG GLN A 16 22.889 27.010 19.180 1.00 0.00 C ATOM 226 CD GLN A 16 23.837 26.518 18.104 1.00 0.00 C ATOM 227 OE1 GLN A 16 24.176 25.335 18.052 1.00 0.00 O ATOM 228 NE2 GLN A 16 24.271 27.425 17.237 1.00 0.00 N ATOM 0 H GLN A 16 21.397 28.058 21.572 1.00 0.00 H new ATOM 0 HA GLN A 16 24.307 27.546 21.610 1.00 0.00 H new ATOM 0 HB2 GLN A 16 22.672 29.101 19.577 1.00 0.00 H new ATOM 0 HB3 GLN A 16 24.334 28.569 19.419 1.00 0.00 H new ATOM 0 HG2 GLN A 16 22.780 26.239 19.943 1.00 0.00 H new ATOM 0 HG3 GLN A 16 21.903 27.169 18.745 1.00 0.00 H new ATOM 0 HE21 GLN A 16 23.965 28.395 17.317 1.00 0.00 H new ATOM 0 HE22 GLN A 16 24.911 27.152 16.491 1.00 0.00 H new ATOM 237 N ALA A 17 24.259 29.611 23.172 1.00 0.00 N ATOM 238 CA ALA A 17 24.575 30.865 23.843 1.00 0.00 C ATOM 239 C ALA A 17 25.211 30.614 25.206 1.00 0.00 C ATOM 240 O ALA A 17 24.618 29.967 26.069 1.00 0.00 O ATOM 241 CB ALA A 17 23.320 31.714 23.993 1.00 0.00 C ATOM 0 H ALA A 17 24.452 28.776 23.725 1.00 0.00 H new ATOM 0 HA ALA A 17 25.296 31.405 23.229 1.00 0.00 H new ATOM 0 HB1 ALA A 17 23.571 32.648 24.496 1.00 0.00 H new ATOM 0 HB2 ALA A 17 22.908 31.932 23.008 1.00 0.00 H new ATOM 0 HB3 ALA A 17 22.582 31.171 24.583 1.00 0.00 H new ATOM 247 N ARG A 18 26.422 31.129 25.392 1.00 0.00 N ATOM 248 CA ARG A 18 27.140 30.958 26.650 1.00 0.00 C ATOM 249 C ARG A 18 27.801 32.264 27.080 1.00 0.00 C ATOM 250 O ARG A 18 27.874 33.219 26.305 1.00 0.00 O ATOM 251 CB ARG A 18 28.196 29.860 26.514 1.00 0.00 C ATOM 252 CG ARG A 18 29.257 30.162 25.468 1.00 0.00 C ATOM 253 CD ARG A 18 30.616 30.401 26.107 1.00 0.00 C ATOM 254 NE ARG A 18 31.512 29.261 25.932 1.00 0.00 N ATOM 255 CZ ARG A 18 32.022 28.900 24.760 1.00 0.00 C ATOM 256 NH1 ARG A 18 31.727 29.587 23.665 1.00 0.00 N ATOM 257 NH2 ARG A 18 32.830 27.850 24.681 1.00 0.00 N ATOM 0 H ARG A 18 26.927 31.668 24.688 1.00 0.00 H new ATOM 0 HA ARG A 18 26.419 30.667 27.414 1.00 0.00 H new ATOM 0 HB2 ARG A 18 28.681 29.712 27.479 1.00 0.00 H new ATOM 0 HB3 ARG A 18 27.702 28.922 26.258 1.00 0.00 H new ATOM 0 HG2 ARG A 18 29.325 29.331 24.766 1.00 0.00 H new ATOM 0 HG3 ARG A 18 28.964 31.041 24.894 1.00 0.00 H new ATOM 0 HD2 ARG A 18 31.071 31.290 25.670 1.00 0.00 H new ATOM 0 HD3 ARG A 18 30.486 30.600 27.171 1.00 0.00 H new ATOM 0 HE ARG A 18 31.760 28.712 26.755 1.00 0.00 H new ATOM 0 HH11 ARG A 18 31.107 30.395 23.721 1.00 0.00 H new ATOM 0 HH12 ARG A 18 32.120 29.308 22.766 1.00 0.00 H new ATOM 0 HH21 ARG A 18 33.060 27.319 25.521 1.00 0.00 H new ATOM 0 HH22 ARG A 18 33.221 27.574 23.780 1.00 0.00 H new ATOM 271 N CYS A 19 28.281 32.299 28.318 1.00 0.00 N ATOM 272 CA CYS A 19 28.935 33.488 28.852 1.00 0.00 C ATOM 273 C CYS A 19 29.888 33.122 29.985 1.00 0.00 C ATOM 274 O CYS A 19 29.562 32.299 30.841 1.00 0.00 O ATOM 275 CB CYS A 19 27.891 34.489 29.350 1.00 0.00 C ATOM 276 SG CYS A 19 27.396 35.715 28.116 1.00 0.00 S ATOM 0 H CYS A 19 28.230 31.517 28.971 1.00 0.00 H new ATOM 0 HA CYS A 19 29.513 33.946 28.050 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.007 33.942 29.678 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.288 35.007 30.223 1.00 0.00 H new ATOM 0 HG CYS A 19 27.406 35.171 26.935 1.00 0.00 H new ATOM 282 N GLN A 20 31.066 33.737 29.983 1.00 0.00 N ATOM 283 CA GLN A 20 32.067 33.474 31.010 1.00 0.00 C ATOM 284 C GLN A 20 32.632 34.776 31.566 1.00 0.00 C ATOM 285 O GLN A 20 32.510 35.832 30.947 1.00 0.00 O ATOM 286 CB GLN A 20 33.197 32.615 30.441 1.00 0.00 C ATOM 287 CG GLN A 20 33.993 33.304 29.344 1.00 0.00 C ATOM 288 CD GLN A 20 33.767 32.681 27.981 1.00 0.00 C ATOM 289 OE1 GLN A 20 32.641 32.635 27.485 1.00 0.00 O ATOM 290 NE2 GLN A 20 34.840 32.198 27.366 1.00 0.00 N ATOM 0 H GLN A 20 31.351 34.421 29.282 1.00 0.00 H new ATOM 0 HA GLN A 20 31.583 32.933 31.824 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.873 32.338 31.249 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.776 31.690 30.046 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.718 34.358 29.308 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.054 33.260 29.588 1.00 0.00 H new ATOM 0 HE21 GLN A 20 35.754 32.257 27.814 1.00 0.00 H new ATOM 0 HE22 GLN A 20 34.750 31.768 26.446 1.00 0.00 H new ATOM 299 N GLY A 21 33.251 34.694 32.740 1.00 0.00 N ATOM 300 CA GLY A 21 33.826 35.873 33.360 1.00 0.00 C ATOM 301 C GLY A 21 34.606 35.545 34.618 1.00 0.00 C ATOM 302 O GLY A 21 34.775 34.376 34.966 1.00 0.00 O ATOM 0 H GLY A 21 33.364 33.832 33.273 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.484 36.370 32.647 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.030 36.577 33.603 1.00 0.00 H new ATOM 306 N VAL A 22 35.085 36.579 35.302 1.00 0.00 N ATOM 307 CA VAL A 22 35.852 36.396 36.528 1.00 0.00 C ATOM 308 C VAL A 22 35.019 36.747 37.756 1.00 0.00 C ATOM 309 O VAL A 22 34.431 37.826 37.833 1.00 0.00 O ATOM 310 CB VAL A 22 37.129 37.257 36.525 1.00 0.00 C ATOM 311 CG1 VAL A 22 38.006 36.916 37.721 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.894 37.071 35.223 1.00 0.00 C ATOM 0 H VAL A 22 34.955 37.553 35.027 1.00 0.00 H new ATOM 0 HA VAL A 22 36.132 35.343 36.571 1.00 0.00 H new ATOM 0 HB VAL A 22 36.840 38.305 36.604 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.904 37.534 37.702 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.455 37.105 38.642 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.289 35.864 37.677 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.793 37.687 35.238 1.00 0.00 H new ATOM 0 HG22 VAL A 22 38.173 36.023 35.112 1.00 0.00 H new ATOM 0 HG23 VAL A 22 37.264 37.370 34.385 1.00 0.00 H new ATOM 322 N VAL A 23 34.973 35.828 38.715 1.00 0.00 N ATOM 323 CA VAL A 23 34.212 36.040 39.941 1.00 0.00 C ATOM 324 C VAL A 23 34.590 37.362 40.600 1.00 0.00 C ATOM 325 O VAL A 23 35.636 37.471 41.241 1.00 0.00 O ATOM 326 CB VAL A 23 34.438 34.895 40.946 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.661 35.150 42.229 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.043 33.561 40.331 1.00 0.00 C ATOM 0 H VAL A 23 35.454 34.930 38.667 1.00 0.00 H new ATOM 0 HA VAL A 23 33.159 36.065 39.660 1.00 0.00 H new ATOM 0 HB VAL A 23 35.499 34.856 41.193 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.833 34.331 42.927 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.996 36.085 42.677 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.597 35.217 42.003 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.209 32.763 41.055 1.00 0.00 H new ATOM 0 HG22 VAL A 23 32.989 33.586 40.054 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.647 33.377 39.443 1.00 0.00 H new ATOM 338 N CYS A 24 33.733 38.363 40.438 1.00 0.00 N ATOM 339 CA CYS A 24 33.976 39.680 41.017 1.00 0.00 C ATOM 340 C CYS A 24 33.589 39.705 42.492 1.00 0.00 C ATOM 341 O CYS A 24 34.421 39.975 43.358 1.00 0.00 O ATOM 342 CB CYS A 24 33.193 40.749 40.254 1.00 0.00 C ATOM 343 SG CYS A 24 33.567 42.443 40.763 1.00 0.00 S ATOM 0 H CYS A 24 32.863 38.288 39.910 1.00 0.00 H new ATOM 0 HA CYS A 24 35.042 39.894 40.936 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.402 40.647 39.189 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.127 40.568 40.388 1.00 0.00 H new ATOM 0 HG CYS A 24 34.184 43.060 39.799 1.00 0.00 H new ATOM 349 N ALA A 25 32.320 39.423 42.770 1.00 0.00 N ATOM 350 CA ALA A 25 31.823 39.413 44.140 1.00 0.00 C ATOM 351 C ALA A 25 31.938 38.023 44.756 1.00 0.00 C ATOM 352 O ALA A 25 31.742 37.015 44.077 1.00 0.00 O ATOM 353 CB ALA A 25 30.379 39.893 44.181 1.00 0.00 C ATOM 0 H ALA A 25 31.618 39.199 42.065 1.00 0.00 H new ATOM 0 HA ALA A 25 32.438 40.094 44.728 1.00 0.00 H new ATOM 0 HB1 ALA A 25 30.020 39.880 45.210 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.322 40.909 43.789 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.759 39.234 43.573 1.00 0.00 H new ATOM 359 N MET A 26 32.257 37.976 46.045 1.00 0.00 N ATOM 360 CA MET A 26 32.398 36.708 46.752 1.00 0.00 C ATOM 361 C MET A 26 31.758 36.783 48.135 1.00 0.00 C ATOM 362 O MET A 26 32.150 37.599 48.968 1.00 0.00 O ATOM 363 CB MET A 26 33.875 36.332 46.880 1.00 0.00 C ATOM 364 CG MET A 26 34.401 35.525 45.705 1.00 0.00 C ATOM 365 SD MET A 26 35.807 34.486 46.149 1.00 0.00 S ATOM 366 CE MET A 26 35.011 33.267 47.192 1.00 0.00 C ATOM 0 H MET A 26 32.423 38.801 46.621 1.00 0.00 H new ATOM 0 HA MET A 26 31.884 35.939 46.174 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.466 37.243 46.978 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.017 35.759 47.796 1.00 0.00 H new ATOM 0 HG2 MET A 26 33.600 34.898 45.313 1.00 0.00 H new ATOM 0 HG3 MET A 26 34.695 36.205 44.905 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.612 33.105 48.087 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.022 33.624 47.479 1.00 0.00 H new ATOM 0 HE3 MET A 26 34.914 32.329 46.646 1.00 0.00 H new ATOM 376 N LYS A 27 30.771 35.926 48.372 1.00 0.00 N ATOM 377 CA LYS A 27 30.077 35.893 49.654 1.00 0.00 C ATOM 378 C LYS A 27 29.898 34.458 50.139 1.00 0.00 C ATOM 379 O LYS A 27 30.234 33.508 49.433 1.00 0.00 O ATOM 380 CB LYS A 27 28.713 36.577 49.536 1.00 0.00 C ATOM 381 CG LYS A 27 28.320 37.368 50.771 1.00 0.00 C ATOM 382 CD LYS A 27 27.907 38.787 50.417 1.00 0.00 C ATOM 383 CE LYS A 27 28.235 39.759 51.539 1.00 0.00 C ATOM 384 NZ LYS A 27 27.197 39.745 52.607 1.00 0.00 N ATOM 0 H LYS A 27 30.433 35.244 47.692 1.00 0.00 H new ATOM 0 HA LYS A 27 30.685 36.431 50.382 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.725 37.246 48.675 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.952 35.821 49.342 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.498 36.865 51.280 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.157 37.395 51.468 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.415 39.098 49.504 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.837 38.815 50.211 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.203 39.503 51.970 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.324 40.766 51.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.458 40.421 53.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.278 40.014 52.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.130 38.790 53.013 1.00 0.00 H new ATOM 398 N GLU A 28 29.366 34.309 51.348 1.00 0.00 N ATOM 399 CA GLU A 28 29.142 32.989 51.926 1.00 0.00 C ATOM 400 C GLU A 28 27.730 32.495 51.624 1.00 0.00 C ATOM 401 O GLU A 28 27.026 32.015 52.512 1.00 0.00 O ATOM 402 CB GLU A 28 29.369 33.025 53.439 1.00 0.00 C ATOM 403 CG GLU A 28 30.734 33.560 53.837 1.00 0.00 C ATOM 404 CD GLU A 28 31.422 32.691 54.872 1.00 0.00 C ATOM 405 OE1 GLU A 28 30.712 32.014 55.644 1.00 0.00 O ATOM 406 OE2 GLU A 28 32.670 32.687 54.909 1.00 0.00 O ATOM 0 H GLU A 28 29.082 35.085 51.946 1.00 0.00 H new ATOM 0 HA GLU A 28 29.854 32.298 51.475 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.598 33.643 53.899 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.252 32.018 53.840 1.00 0.00 H new ATOM 0 HG2 GLU A 28 31.365 33.631 52.951 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.623 34.570 54.232 1.00 0.00 H new ATOM 413 N ALA A 29 27.323 32.617 50.365 1.00 0.00 N ATOM 414 CA ALA A 29 25.997 32.182 49.945 1.00 0.00 C ATOM 415 C ALA A 29 25.803 32.384 48.446 1.00 0.00 C ATOM 416 O ALA A 29 25.283 31.508 47.754 1.00 0.00 O ATOM 417 CB ALA A 29 24.925 32.930 50.724 1.00 0.00 C ATOM 0 H ALA A 29 27.893 33.014 49.618 1.00 0.00 H new ATOM 0 HA ALA A 29 25.907 31.116 50.156 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.940 32.595 50.400 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.044 32.731 51.789 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.023 34.000 50.542 1.00 0.00 H new ATOM 423 N PHE A 30 26.222 33.543 47.950 1.00 0.00 N ATOM 424 CA PHE A 30 26.092 33.860 46.533 1.00 0.00 C ATOM 425 C PHE A 30 27.140 34.884 46.106 1.00 0.00 C ATOM 426 O PHE A 30 27.830 35.467 46.941 1.00 0.00 O ATOM 427 CB PHE A 30 24.689 34.395 46.235 1.00 0.00 C ATOM 428 CG PHE A 30 24.272 35.520 47.137 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.833 36.780 47.001 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.320 35.319 48.123 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.451 37.818 47.830 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.933 36.353 48.955 1.00 0.00 C ATOM 433 CZ PHE A 30 23.501 37.604 48.808 1.00 0.00 C ATOM 0 H PHE A 30 26.655 34.279 48.509 1.00 0.00 H new ATOM 0 HA PHE A 30 26.253 32.944 45.965 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.651 34.736 45.201 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.971 33.580 46.328 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.578 36.953 46.238 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.875 34.342 48.243 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.895 38.795 47.713 1.00 0.00 H new ATOM 0 HE2 PHE A 30 22.188 36.183 49.718 1.00 0.00 H new ATOM 0 HZ PHE A 30 23.202 38.413 49.458 1.00 0.00 H new ATOM 443 N GLY A 31 27.252 35.097 44.799 1.00 0.00 N ATOM 444 CA GLY A 31 28.218 36.050 44.283 1.00 0.00 C ATOM 445 C GLY A 31 27.881 36.516 42.880 1.00 0.00 C ATOM 446 O GLY A 31 26.858 36.125 42.318 1.00 0.00 O ATOM 0 H GLY A 31 26.692 34.627 44.088 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.263 36.913 44.948 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.208 35.595 44.283 1.00 0.00 H new ATOM 450 N PHE A 32 28.742 37.354 42.314 1.00 0.00 N ATOM 451 CA PHE A 32 28.529 37.876 40.969 1.00 0.00 C ATOM 452 C PHE A 32 29.808 37.785 40.141 1.00 0.00 C ATOM 453 O PHE A 32 30.914 37.856 40.679 1.00 0.00 O ATOM 454 CB PHE A 32 28.052 39.328 41.033 1.00 0.00 C ATOM 455 CG PHE A 32 26.794 39.511 41.833 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.839 39.568 43.216 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.566 39.625 41.201 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.683 39.736 43.956 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.407 39.794 41.935 1.00 0.00 C ATOM 460 CZ PHE A 32 24.465 39.849 43.314 1.00 0.00 C ATOM 0 H PHE A 32 29.594 37.687 42.765 1.00 0.00 H new ATOM 0 HA PHE A 32 27.762 37.269 40.488 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.841 39.943 41.466 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.885 39.692 40.019 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.789 39.480 43.723 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.514 39.581 40.123 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.732 39.779 45.034 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.456 39.883 41.430 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.560 39.980 43.889 1.00 0.00 H new ATOM 470 N ILE A 33 29.648 37.628 38.832 1.00 0.00 N ATOM 471 CA ILE A 33 30.789 37.528 37.930 1.00 0.00 C ATOM 472 C ILE A 33 30.781 38.659 36.907 1.00 0.00 C ATOM 473 O ILE A 33 29.724 39.078 36.439 1.00 0.00 O ATOM 474 CB ILE A 33 30.802 36.179 37.187 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.842 35.022 38.187 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.990 36.109 36.239 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.852 33.921 37.877 1.00 0.00 C ATOM 0 H ILE A 33 28.740 37.567 38.372 1.00 0.00 H new ATOM 0 HA ILE A 33 31.686 37.604 38.545 1.00 0.00 H new ATOM 0 HB ILE A 33 29.888 36.095 36.600 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.847 34.601 38.204 1.00 0.00 H new ATOM 0 HG13 ILE A 33 30.642 35.409 39.186 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.986 35.150 35.721 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.921 36.916 35.509 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.915 36.211 36.807 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.936 33.134 38.627 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.841 34.327 37.889 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.065 33.507 36.891 1.00 0.00 H new ATOM 489 N GLU A 34 31.970 39.147 36.564 1.00 0.00 N ATOM 490 CA GLU A 34 32.099 40.229 35.596 1.00 0.00 C ATOM 491 C GLU A 34 32.125 39.684 34.171 1.00 0.00 C ATOM 492 O GLU A 34 32.977 38.865 33.823 1.00 0.00 O ATOM 493 CB GLU A 34 33.370 41.037 35.867 1.00 0.00 C ATOM 494 CG GLU A 34 33.103 42.416 36.447 1.00 0.00 C ATOM 495 CD GLU A 34 34.377 43.188 36.726 1.00 0.00 C ATOM 496 OE1 GLU A 34 35.124 42.791 37.644 1.00 0.00 O ATOM 497 OE2 GLU A 34 34.628 44.191 36.025 1.00 0.00 O ATOM 0 H GLU A 34 32.856 38.810 36.942 1.00 0.00 H new ATOM 0 HA GLU A 34 31.232 40.882 35.702 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.005 40.479 36.555 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.927 41.145 34.936 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.483 42.984 35.753 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.535 42.313 37.372 1.00 0.00 H new ATOM 504 N ARG A 35 31.186 40.143 33.350 1.00 0.00 N ATOM 505 CA ARG A 35 31.099 39.700 31.964 1.00 0.00 C ATOM 506 C ARG A 35 32.438 39.874 31.253 1.00 0.00 C ATOM 507 O ARG A 35 33.149 38.903 31.000 1.00 0.00 O ATOM 508 CB ARG A 35 30.011 40.481 31.224 1.00 0.00 C ATOM 509 CG ARG A 35 28.712 39.709 31.061 1.00 0.00 C ATOM 510 CD ARG A 35 28.325 39.573 29.597 1.00 0.00 C ATOM 511 NE ARG A 35 26.876 39.558 29.413 1.00 0.00 N ATOM 512 CZ ARG A 35 26.286 39.345 28.242 1.00 0.00 C ATOM 513 NH1 ARG A 35 27.017 39.131 27.157 1.00 0.00 N ATOM 514 NH2 ARG A 35 24.962 39.347 28.154 1.00 0.00 N ATOM 0 H ARG A 35 30.475 40.822 33.621 1.00 0.00 H new ATOM 0 HA ARG A 35 30.841 38.641 31.963 1.00 0.00 H new ATOM 0 HB2 ARG A 35 29.809 41.406 31.764 1.00 0.00 H new ATOM 0 HB3 ARG A 35 30.383 40.762 30.239 1.00 0.00 H new ATOM 0 HG2 ARG A 35 28.818 38.719 31.504 1.00 0.00 H new ATOM 0 HG3 ARG A 35 27.915 40.217 31.604 1.00 0.00 H new ATOM 0 HD2 ARG A 35 28.754 40.400 29.030 1.00 0.00 H new ATOM 0 HD3 ARG A 35 28.751 38.655 29.193 1.00 0.00 H new ATOM 0 HE ARG A 35 26.285 39.720 30.228 1.00 0.00 H new ATOM 0 HH11 ARG A 35 28.035 39.130 27.220 1.00 0.00 H new ATOM 0 HH12 ARG A 35 26.561 38.968 26.259 1.00 0.00 H new ATOM 0 HH21 ARG A 35 24.396 39.512 28.986 1.00 0.00 H new ATOM 0 HH22 ARG A 35 24.510 39.183 27.254 1.00 0.00 H new ATOM 528 N GLY A 36 32.774 41.120 30.933 1.00 0.00 N ATOM 529 CA GLY A 36 34.026 41.399 30.253 1.00 0.00 C ATOM 530 C GLY A 36 34.176 42.863 29.892 1.00 0.00 C ATOM 531 O GLY A 36 33.873 43.267 28.769 1.00 0.00 O ATOM 0 H GLY A 36 32.202 41.941 31.132 1.00 0.00 H new ATOM 0 HA2 GLY A 36 34.857 41.098 30.891 1.00 0.00 H new ATOM 0 HA3 GLY A 36 34.086 40.797 29.347 1.00 0.00 H new ATOM 535 N ASP A 37 34.643 43.662 30.845 1.00 0.00 N ATOM 536 CA ASP A 37 34.832 45.090 30.622 1.00 0.00 C ATOM 537 C ASP A 37 33.527 45.749 30.183 1.00 0.00 C ATOM 538 O ASP A 37 33.536 46.770 29.495 1.00 0.00 O ATOM 539 CB ASP A 37 35.916 45.325 29.569 1.00 0.00 C ATOM 540 CG ASP A 37 37.035 46.211 30.077 1.00 0.00 C ATOM 541 OD1 ASP A 37 37.916 45.699 30.798 1.00 0.00 O ATOM 542 OD2 ASP A 37 37.030 47.418 29.755 1.00 0.00 O ATOM 0 H ASP A 37 34.898 43.344 31.780 1.00 0.00 H new ATOM 0 HA ASP A 37 35.147 45.541 31.563 1.00 0.00 H new ATOM 0 HB2 ASP A 37 36.329 44.366 29.257 1.00 0.00 H new ATOM 0 HB3 ASP A 37 35.468 45.781 28.686 1.00 0.00 H new ATOM 547 N VAL A 38 32.407 45.157 30.584 1.00 0.00 N ATOM 548 CA VAL A 38 31.095 45.685 30.233 1.00 0.00 C ATOM 549 C VAL A 38 30.235 45.893 31.475 1.00 0.00 C ATOM 550 O VAL A 38 30.679 45.653 32.597 1.00 0.00 O ATOM 551 CB VAL A 38 30.354 44.748 29.260 1.00 0.00 C ATOM 552 CG1 VAL A 38 30.984 44.808 27.877 1.00 0.00 C ATOM 553 CG2 VAL A 38 30.352 43.323 29.792 1.00 0.00 C ATOM 0 H VAL A 38 32.382 44.311 31.153 1.00 0.00 H new ATOM 0 HA VAL A 38 31.261 46.645 29.745 1.00 0.00 H new ATOM 0 HB VAL A 38 29.320 45.083 29.177 1.00 0.00 H new ATOM 0 HG11 VAL A 38 30.447 44.140 27.203 1.00 0.00 H new ATOM 0 HG12 VAL A 38 30.929 45.828 27.496 1.00 0.00 H new ATOM 0 HG13 VAL A 38 32.028 44.499 27.939 1.00 0.00 H new ATOM 0 HG21 VAL A 38 29.825 42.674 29.093 1.00 0.00 H new ATOM 0 HG22 VAL A 38 31.379 42.976 29.905 1.00 0.00 H new ATOM 0 HG23 VAL A 38 29.851 43.297 30.760 1.00 0.00 H new ATOM 563 N VAL A 39 29.001 46.340 31.265 1.00 0.00 N ATOM 564 CA VAL A 39 28.077 46.579 32.368 1.00 0.00 C ATOM 565 C VAL A 39 27.035 45.470 32.461 1.00 0.00 C ATOM 566 O VAL A 39 25.853 45.730 32.687 1.00 0.00 O ATOM 567 CB VAL A 39 27.358 47.932 32.215 1.00 0.00 C ATOM 568 CG1 VAL A 39 28.358 49.077 32.263 1.00 0.00 C ATOM 569 CG2 VAL A 39 26.558 47.967 30.921 1.00 0.00 C ATOM 0 H VAL A 39 28.618 46.544 30.342 1.00 0.00 H new ATOM 0 HA VAL A 39 28.671 46.593 33.282 1.00 0.00 H new ATOM 0 HB VAL A 39 26.665 48.051 33.048 1.00 0.00 H new ATOM 0 HG11 VAL A 39 27.831 50.025 32.153 1.00 0.00 H new ATOM 0 HG12 VAL A 39 28.883 49.062 33.218 1.00 0.00 H new ATOM 0 HG13 VAL A 39 29.078 48.966 31.452 1.00 0.00 H new ATOM 0 HG21 VAL A 39 26.056 48.930 30.829 1.00 0.00 H new ATOM 0 HG22 VAL A 39 27.229 47.825 30.074 1.00 0.00 H new ATOM 0 HG23 VAL A 39 25.814 47.170 30.931 1.00 0.00 H new ATOM 579 N LYS A 40 27.481 44.230 32.287 1.00 0.00 N ATOM 580 CA LYS A 40 26.588 43.079 32.354 1.00 0.00 C ATOM 581 C LYS A 40 27.045 42.098 33.428 1.00 0.00 C ATOM 582 O LYS A 40 28.186 41.636 33.415 1.00 0.00 O ATOM 583 CB LYS A 40 26.529 42.375 30.996 1.00 0.00 C ATOM 584 CG LYS A 40 26.061 43.273 29.865 1.00 0.00 C ATOM 585 CD LYS A 40 26.869 43.043 28.599 1.00 0.00 C ATOM 586 CE LYS A 40 25.976 42.983 27.370 1.00 0.00 C ATOM 587 NZ LYS A 40 25.319 44.292 27.097 1.00 0.00 N ATOM 0 H LYS A 40 28.456 43.997 32.098 1.00 0.00 H new ATOM 0 HA LYS A 40 25.592 43.437 32.615 1.00 0.00 H new ATOM 0 HB2 LYS A 40 27.518 41.986 30.754 1.00 0.00 H new ATOM 0 HB3 LYS A 40 25.859 41.518 31.069 1.00 0.00 H new ATOM 0 HG2 LYS A 40 25.006 43.086 29.663 1.00 0.00 H new ATOM 0 HG3 LYS A 40 26.147 44.316 30.168 1.00 0.00 H new ATOM 0 HD2 LYS A 40 27.598 43.845 28.481 1.00 0.00 H new ATOM 0 HD3 LYS A 40 27.430 42.113 28.688 1.00 0.00 H new ATOM 0 HE2 LYS A 40 26.569 42.687 26.505 1.00 0.00 H new ATOM 0 HE3 LYS A 40 25.214 42.217 27.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 24.719 44.210 26.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 24.733 44.563 27.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 26.046 45.018 26.936 1.00 0.00 H new ATOM 601 N GLU A 41 26.147 41.783 34.356 1.00 0.00 N ATOM 602 CA GLU A 41 26.459 40.856 35.437 1.00 0.00 C ATOM 603 C GLU A 41 25.319 39.864 35.650 1.00 0.00 C ATOM 604 O GLU A 41 24.216 40.051 35.135 1.00 0.00 O ATOM 605 CB GLU A 41 26.732 41.622 36.734 1.00 0.00 C ATOM 606 CG GLU A 41 25.524 42.380 37.258 1.00 0.00 C ATOM 607 CD GLU A 41 25.882 43.758 37.779 1.00 0.00 C ATOM 608 OE1 GLU A 41 26.664 43.840 38.750 1.00 0.00 O ATOM 609 OE2 GLU A 41 25.380 44.754 37.218 1.00 0.00 O ATOM 0 H GLU A 41 25.198 42.156 34.381 1.00 0.00 H new ATOM 0 HA GLU A 41 27.354 40.300 35.157 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.069 40.920 37.497 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.547 42.326 36.566 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.787 42.477 36.461 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.056 41.804 38.056 1.00 0.00 H new ATOM 616 N ILE A 42 25.593 38.810 36.412 1.00 0.00 N ATOM 617 CA ILE A 42 24.591 37.790 36.693 1.00 0.00 C ATOM 618 C ILE A 42 24.681 37.315 38.139 1.00 0.00 C ATOM 619 O ILE A 42 25.655 37.597 38.837 1.00 0.00 O ATOM 620 CB ILE A 42 24.744 36.577 35.756 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.836 35.640 36.273 1.00 0.00 C ATOM 622 CG2 ILE A 42 25.060 37.038 34.341 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.173 36.320 36.472 1.00 0.00 C ATOM 0 H ILE A 42 26.501 38.641 36.846 1.00 0.00 H new ATOM 0 HA ILE A 42 23.617 38.249 36.523 1.00 0.00 H new ATOM 0 HB ILE A 42 23.802 36.030 35.737 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.513 35.207 37.220 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.958 34.815 35.571 1.00 0.00 H new ATOM 0 HG21 ILE A 42 25.165 36.170 33.690 1.00 0.00 H new ATOM 0 HG22 ILE A 42 24.251 37.670 33.975 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.991 37.605 34.342 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.899 35.595 36.840 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.518 36.729 35.522 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.067 37.127 37.197 1.00 0.00 H new ATOM 635 N PHE A 43 23.659 36.591 38.583 1.00 0.00 N ATOM 636 CA PHE A 43 23.622 36.076 39.947 1.00 0.00 C ATOM 637 C PHE A 43 23.716 34.553 39.955 1.00 0.00 C ATOM 638 O PHE A 43 22.918 33.867 39.316 1.00 0.00 O ATOM 639 CB PHE A 43 22.339 36.523 40.649 1.00 0.00 C ATOM 640 CG PHE A 43 22.182 35.954 42.030 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.599 34.711 42.220 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.619 36.661 43.139 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.453 34.186 43.490 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.476 36.140 44.412 1.00 0.00 C ATOM 645 CZ PHE A 43 21.893 34.900 44.587 1.00 0.00 C ATOM 0 H PHE A 43 22.845 36.348 38.018 1.00 0.00 H new ATOM 0 HA PHE A 43 24.480 36.479 40.485 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.328 37.611 40.710 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.482 36.229 40.044 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.255 34.146 41.366 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.077 37.630 43.007 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.995 33.217 43.625 1.00 0.00 H new ATOM 0 HE2 PHE A 43 22.820 36.702 45.268 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.782 34.490 45.580 1.00 0.00 H new ATOM 655 N PHE A 44 24.697 34.030 40.683 1.00 0.00 N ATOM 656 CA PHE A 44 24.897 32.589 40.774 1.00 0.00 C ATOM 657 C PHE A 44 24.989 32.143 42.231 1.00 0.00 C ATOM 658 O PHE A 44 25.675 32.768 43.041 1.00 0.00 O ATOM 659 CB PHE A 44 26.167 32.180 40.023 1.00 0.00 C ATOM 660 CG PHE A 44 27.433 32.578 40.726 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.993 33.828 40.519 1.00 0.00 C ATOM 662 CD2 PHE A 44 28.065 31.701 41.593 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.158 34.198 41.164 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.230 32.065 42.241 1.00 0.00 C ATOM 665 CZ PHE A 44 29.778 33.314 42.025 1.00 0.00 C ATOM 0 H PHE A 44 25.366 34.583 41.219 1.00 0.00 H new ATOM 0 HA PHE A 44 24.038 32.099 40.316 1.00 0.00 H new ATOM 0 HB2 PHE A 44 26.164 31.099 39.881 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.154 32.631 39.031 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.513 34.522 39.845 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.642 30.722 41.764 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.583 35.177 40.995 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.712 31.373 42.916 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.690 33.599 42.529 1.00 0.00 H new ATOM 675 N HIS A 45 24.293 31.059 42.557 1.00 0.00 N ATOM 676 CA HIS A 45 24.295 30.529 43.916 1.00 0.00 C ATOM 677 C HIS A 45 25.368 29.456 44.078 1.00 0.00 C ATOM 678 O HIS A 45 25.602 28.656 43.172 1.00 0.00 O ATOM 679 CB HIS A 45 22.923 29.952 44.263 1.00 0.00 C ATOM 680 CG HIS A 45 22.465 30.288 45.649 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.717 29.485 46.741 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.768 31.349 46.118 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.194 30.036 47.821 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.612 31.169 47.470 1.00 0.00 N ATOM 0 H HIS A 45 23.720 30.530 41.899 1.00 0.00 H new ATOM 0 HA HIS A 45 24.519 31.348 44.599 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.190 30.324 43.547 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.955 28.868 44.153 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.402 32.183 45.537 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.235 29.630 48.821 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.126 31.806 48.101 1.00 0.00 H new ATOM 692 N TYR A 46 26.015 29.445 45.238 1.00 0.00 N ATOM 693 CA TYR A 46 27.065 28.472 45.518 1.00 0.00 C ATOM 694 C TYR A 46 26.536 27.047 45.386 1.00 0.00 C ATOM 695 O TYR A 46 27.291 26.117 45.101 1.00 0.00 O ATOM 696 CB TYR A 46 27.630 28.690 46.923 1.00 0.00 C ATOM 697 CG TYR A 46 28.721 29.735 46.981 1.00 0.00 C ATOM 698 CD1 TYR A 46 28.420 31.088 46.873 1.00 0.00 C ATOM 699 CD2 TYR A 46 30.051 29.371 47.144 1.00 0.00 C ATOM 700 CE1 TYR A 46 29.413 32.047 46.925 1.00 0.00 C ATOM 701 CE2 TYR A 46 31.051 30.323 47.199 1.00 0.00 C ATOM 702 CZ TYR A 46 30.727 31.659 47.089 1.00 0.00 C ATOM 703 OH TYR A 46 31.720 32.611 47.141 1.00 0.00 O ATOM 0 H TYR A 46 25.831 30.098 45.999 1.00 0.00 H new ATOM 0 HA TYR A 46 27.861 28.614 44.787 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.820 28.985 47.590 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.023 27.745 47.298 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.392 31.395 46.746 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.308 28.326 47.229 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.162 33.094 46.838 1.00 0.00 H new ATOM 0 HE2 TYR A 46 32.080 30.023 47.327 1.00 0.00 H new ATOM 0 HH TYR A 46 31.568 33.200 47.909 1.00 0.00 H new ATOM 713 N SER A 47 25.234 26.884 45.594 1.00 0.00 N ATOM 714 CA SER A 47 24.603 25.573 45.502 1.00 0.00 C ATOM 715 C SER A 47 24.755 24.995 44.098 1.00 0.00 C ATOM 716 O SER A 47 24.922 23.788 43.928 1.00 0.00 O ATOM 717 CB SER A 47 23.121 25.670 45.868 1.00 0.00 C ATOM 718 OG SER A 47 22.329 25.939 44.724 1.00 0.00 O ATOM 0 H SER A 47 24.595 27.644 45.828 1.00 0.00 H new ATOM 0 HA SER A 47 25.101 24.907 46.207 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.795 24.737 46.328 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.977 26.458 46.607 1.00 0.00 H new ATOM 0 HG SER A 47 21.386 25.995 44.985 1.00 0.00 H new ATOM 724 N GLU A 48 24.695 25.866 43.096 1.00 0.00 N ATOM 725 CA GLU A 48 24.825 25.443 41.707 1.00 0.00 C ATOM 726 C GLU A 48 26.292 25.385 41.291 1.00 0.00 C ATOM 727 O GLU A 48 26.664 24.634 40.389 1.00 0.00 O ATOM 728 CB GLU A 48 24.059 26.395 40.786 1.00 0.00 C ATOM 729 CG GLU A 48 22.635 25.951 40.500 1.00 0.00 C ATOM 730 CD GLU A 48 21.601 26.882 41.103 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.249 27.883 40.443 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.144 26.611 42.233 1.00 0.00 O ATOM 0 H GLU A 48 24.557 26.869 43.220 1.00 0.00 H new ATOM 0 HA GLU A 48 24.400 24.443 41.617 1.00 0.00 H new ATOM 0 HB2 GLU A 48 24.037 27.386 41.239 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.598 26.487 39.843 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.485 25.897 39.422 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.486 24.945 40.893 1.00 0.00 H new ATOM 739 N PHE A 49 27.121 26.184 41.954 1.00 0.00 N ATOM 740 CA PHE A 49 28.547 26.226 41.653 1.00 0.00 C ATOM 741 C PHE A 49 29.150 24.825 41.681 1.00 0.00 C ATOM 742 O PHE A 49 28.969 24.077 42.642 1.00 0.00 O ATOM 743 CB PHE A 49 29.275 27.127 42.653 1.00 0.00 C ATOM 744 CG PHE A 49 30.771 27.076 42.527 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.422 27.801 41.542 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.526 26.303 43.394 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.798 27.756 41.423 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.903 26.255 43.281 1.00 0.00 C ATOM 749 CZ PHE A 49 33.539 26.982 42.294 1.00 0.00 C ATOM 0 H PHE A 49 26.830 26.811 42.704 1.00 0.00 H new ATOM 0 HA PHE A 49 28.669 26.635 40.650 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.941 28.155 42.513 1.00 0.00 H new ATOM 0 HB3 PHE A 49 28.993 26.835 43.665 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.847 28.409 40.859 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.033 25.732 44.167 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.293 28.325 40.650 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.481 25.650 43.964 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.615 26.945 42.203 1.00 0.00 H new ATOM 759 N LYS A 50 29.869 24.475 40.619 1.00 0.00 N ATOM 760 CA LYS A 50 30.501 23.165 40.520 1.00 0.00 C ATOM 761 C LYS A 50 32.018 23.297 40.444 1.00 0.00 C ATOM 762 O LYS A 50 32.607 23.192 39.368 1.00 0.00 O ATOM 763 CB LYS A 50 29.981 22.417 39.290 1.00 0.00 C ATOM 764 CG LYS A 50 28.470 22.469 39.141 1.00 0.00 C ATOM 765 CD LYS A 50 27.769 21.915 40.370 1.00 0.00 C ATOM 766 CE LYS A 50 28.084 20.441 40.575 1.00 0.00 C ATOM 767 NZ LYS A 50 26.854 19.641 40.831 1.00 0.00 N ATOM 0 H LYS A 50 30.028 25.081 39.814 1.00 0.00 H new ATOM 0 HA LYS A 50 30.248 22.599 41.416 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.441 22.840 38.397 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.296 21.375 39.348 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.155 23.499 38.975 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.170 21.898 38.262 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.076 22.479 41.250 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.692 22.047 40.266 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.593 20.052 39.693 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.771 20.330 41.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.111 18.642 40.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.382 19.995 41.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.209 19.726 40.019 1.00 0.00 H new ATOM 781 N GLY A 51 32.647 23.527 41.593 1.00 0.00 N ATOM 782 CA GLY A 51 34.090 23.668 41.633 1.00 0.00 C ATOM 783 C GLY A 51 34.662 23.385 43.009 1.00 0.00 C ATOM 784 O GLY A 51 34.225 22.459 43.692 1.00 0.00 O ATOM 0 H GLY A 51 32.182 23.618 42.496 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.539 22.988 40.909 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.362 24.679 41.331 1.00 0.00 H new ATOM 788 N ASP A 52 35.643 24.183 43.415 1.00 0.00 N ATOM 789 CA ASP A 52 36.276 24.014 44.718 1.00 0.00 C ATOM 790 C ASP A 52 35.703 24.998 45.733 1.00 0.00 C ATOM 791 O ASP A 52 36.192 26.121 45.870 1.00 0.00 O ATOM 792 CB ASP A 52 37.789 24.206 44.602 1.00 0.00 C ATOM 793 CG ASP A 52 38.433 23.186 43.683 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.301 21.975 43.956 1.00 0.00 O ATOM 795 OD2 ASP A 52 39.069 23.600 42.691 1.00 0.00 O ATOM 0 H ASP A 52 36.017 24.953 42.861 1.00 0.00 H new ATOM 0 HA ASP A 52 36.071 23.001 45.065 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.998 25.209 44.230 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.239 24.134 45.592 1.00 0.00 H new ATOM 800 N LEU A 53 34.663 24.572 46.440 1.00 0.00 N ATOM 801 CA LEU A 53 34.021 25.415 47.442 1.00 0.00 C ATOM 802 C LEU A 53 34.999 25.780 48.554 1.00 0.00 C ATOM 803 O LEU A 53 34.850 26.809 49.212 1.00 0.00 O ATOM 804 CB LEU A 53 32.803 24.703 48.033 1.00 0.00 C ATOM 805 CG LEU A 53 31.531 25.543 48.159 1.00 0.00 C ATOM 806 CD1 LEU A 53 31.816 26.834 48.911 1.00 0.00 C ATOM 807 CD2 LEU A 53 30.950 25.840 46.785 1.00 0.00 C ATOM 0 H LEU A 53 34.246 23.647 46.338 1.00 0.00 H new ATOM 0 HA LEU A 53 33.695 26.333 46.953 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.580 23.833 47.415 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.069 24.332 49.023 1.00 0.00 H new ATOM 0 HG LEU A 53 30.796 24.972 48.726 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.899 27.419 48.991 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.185 26.600 49.909 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.568 27.410 48.372 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.046 26.438 46.894 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.680 26.391 46.192 1.00 0.00 H new ATOM 0 HD23 LEU A 53 30.707 24.904 46.283 1.00 0.00 H new ATOM 819 N GLU A 54 36.001 24.930 48.756 1.00 0.00 N ATOM 820 CA GLU A 54 37.005 25.165 49.788 1.00 0.00 C ATOM 821 C GLU A 54 38.096 26.104 49.282 1.00 0.00 C ATOM 822 O GLU A 54 38.564 26.981 50.009 1.00 0.00 O ATOM 823 CB GLU A 54 37.625 23.841 50.238 1.00 0.00 C ATOM 824 CG GLU A 54 38.298 23.071 49.114 1.00 0.00 C ATOM 825 CD GLU A 54 38.127 21.570 49.251 1.00 0.00 C ATOM 826 OE1 GLU A 54 37.772 21.112 50.357 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.347 20.854 48.252 1.00 0.00 O ATOM 0 H GLU A 54 36.139 24.074 48.220 1.00 0.00 H new ATOM 0 HA GLU A 54 36.511 25.635 50.639 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.358 24.040 51.020 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.848 23.217 50.680 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.884 23.394 48.159 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.361 23.312 49.099 1.00 0.00 H new ATOM 834 N THR A 55 38.498 25.914 48.029 1.00 0.00 N ATOM 835 CA THR A 55 39.535 26.742 47.425 1.00 0.00 C ATOM 836 C THR A 55 38.996 27.507 46.223 1.00 0.00 C ATOM 837 O THR A 55 39.062 27.030 45.089 1.00 0.00 O ATOM 838 CB THR A 55 40.742 25.895 46.981 1.00 0.00 C ATOM 839 OG1 THR A 55 40.338 24.949 45.985 1.00 0.00 O ATOM 840 CG2 THR A 55 41.354 25.161 48.166 1.00 0.00 C ATOM 0 H THR A 55 38.121 25.194 47.413 1.00 0.00 H new ATOM 0 HA THR A 55 39.859 27.450 48.188 1.00 0.00 H new ATOM 0 HB THR A 55 41.492 26.565 46.562 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.012 25.426 45.194 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.205 24.569 47.828 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.688 25.885 48.909 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.608 24.502 48.611 1.00 0.00 H new ATOM 848 N LEU A 56 38.463 28.698 46.475 1.00 0.00 N ATOM 849 CA LEU A 56 37.913 29.531 45.412 1.00 0.00 C ATOM 850 C LEU A 56 38.179 31.008 45.684 1.00 0.00 C ATOM 851 O LEU A 56 37.301 31.729 46.159 1.00 0.00 O ATOM 852 CB LEU A 56 36.409 29.289 45.274 1.00 0.00 C ATOM 853 CG LEU A 56 35.684 30.143 44.233 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.110 29.747 42.828 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.176 30.013 44.392 1.00 0.00 C ATOM 0 H LEU A 56 38.400 29.108 47.407 1.00 0.00 H new ATOM 0 HA LEU A 56 38.406 29.258 44.479 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.251 28.239 45.027 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.943 29.461 46.244 1.00 0.00 H new ATOM 0 HG LEU A 56 35.957 31.186 44.393 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.584 30.365 42.100 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.185 29.893 42.719 1.00 0.00 H new ATOM 0 HD13 LEU A 56 35.867 28.698 42.656 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.677 30.628 43.643 1.00 0.00 H new ATOM 0 HD22 LEU A 56 33.885 28.971 44.259 1.00 0.00 H new ATOM 0 HD23 LEU A 56 33.885 30.347 45.388 1.00 0.00 H new ATOM 867 N GLN A 57 39.394 31.451 45.380 1.00 0.00 N ATOM 868 CA GLN A 57 39.775 32.843 45.591 1.00 0.00 C ATOM 869 C GLN A 57 41.038 33.186 44.809 1.00 0.00 C ATOM 870 O GLN A 57 41.798 32.311 44.394 1.00 0.00 O ATOM 871 CB GLN A 57 39.993 33.113 47.080 1.00 0.00 C ATOM 872 CG GLN A 57 38.824 33.820 47.748 1.00 0.00 C ATOM 873 CD GLN A 57 39.178 34.368 49.116 1.00 0.00 C ATOM 874 OE1 GLN A 57 40.349 34.590 49.425 1.00 0.00 O ATOM 875 NE2 GLN A 57 38.165 34.591 49.945 1.00 0.00 N ATOM 0 H GLN A 57 40.132 30.867 44.987 1.00 0.00 H new ATOM 0 HA GLN A 57 38.964 33.475 45.229 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.174 32.167 47.590 1.00 0.00 H new ATOM 0 HB3 GLN A 57 40.891 33.718 47.203 1.00 0.00 H new ATOM 0 HG2 GLN A 57 38.486 34.637 47.110 1.00 0.00 H new ATOM 0 HG3 GLN A 57 37.990 33.124 47.844 1.00 0.00 H new ATOM 0 HE21 GLN A 57 37.210 34.393 49.648 1.00 0.00 H new ATOM 0 HE22 GLN A 57 38.342 34.961 50.879 1.00 0.00 H new ATOM 884 N PRO A 58 41.270 34.491 44.602 1.00 0.00 N ATOM 885 CA PRO A 58 40.373 35.542 45.091 1.00 0.00 C ATOM 886 C PRO A 58 39.042 35.560 44.347 1.00 0.00 C ATOM 887 O PRO A 58 38.069 36.152 44.811 1.00 0.00 O ATOM 888 CB PRO A 58 41.154 36.830 44.821 1.00 0.00 C ATOM 889 CG PRO A 58 42.067 36.490 43.693 1.00 0.00 C ATOM 890 CD PRO A 58 42.426 35.041 43.874 1.00 0.00 C ATOM 0 HA PRO A 58 40.111 35.399 46.139 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.486 37.650 44.556 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.713 37.146 45.702 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.579 36.654 42.732 1.00 0.00 H new ATOM 0 HG3 PRO A 58 42.958 37.118 43.709 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.573 34.541 42.917 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.350 34.924 44.440 1.00 0.00 H new ATOM 898 N GLY A 59 39.007 34.907 43.189 1.00 0.00 N ATOM 899 CA GLY A 59 37.790 34.861 42.400 1.00 0.00 C ATOM 900 C GLY A 59 37.854 33.824 41.296 1.00 0.00 C ATOM 901 O GLY A 59 36.914 33.051 41.106 1.00 0.00 O ATOM 0 H GLY A 59 39.800 34.409 42.784 1.00 0.00 H new ATOM 0 HA2 GLY A 59 36.945 34.641 43.053 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.607 35.842 41.962 1.00 0.00 H new ATOM 905 N ASP A 60 38.964 33.806 40.566 1.00 0.00 N ATOM 906 CA ASP A 60 39.147 32.857 39.475 1.00 0.00 C ATOM 907 C ASP A 60 38.093 33.064 38.392 1.00 0.00 C ATOM 908 O ASP A 60 37.107 33.773 38.598 1.00 0.00 O ATOM 909 CB ASP A 60 39.079 31.423 40.002 1.00 0.00 C ATOM 910 CG ASP A 60 40.390 30.681 39.833 1.00 0.00 C ATOM 911 OD1 ASP A 60 40.802 30.458 38.675 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.006 30.325 40.859 1.00 0.00 O ATOM 0 H ASP A 60 39.751 34.439 40.711 1.00 0.00 H new ATOM 0 HA ASP A 60 40.130 33.029 39.037 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.808 31.440 41.058 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.290 30.884 39.478 1.00 0.00 H new ATOM 917 N ASP A 61 38.307 32.442 37.238 1.00 0.00 N ATOM 918 CA ASP A 61 37.376 32.559 36.122 1.00 0.00 C ATOM 919 C ASP A 61 36.341 31.438 36.158 1.00 0.00 C ATOM 920 O ASP A 61 36.617 30.340 36.643 1.00 0.00 O ATOM 921 CB ASP A 61 38.133 32.528 34.793 1.00 0.00 C ATOM 922 CG ASP A 61 39.039 33.730 34.615 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.272 34.450 35.609 1.00 0.00 O ATOM 924 OD2 ASP A 61 39.516 33.951 33.482 1.00 0.00 O ATOM 0 H ASP A 61 39.117 31.851 37.051 1.00 0.00 H new ATOM 0 HA ASP A 61 36.856 33.513 36.213 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.728 31.617 34.738 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.418 32.491 33.971 1.00 0.00 H new ATOM 929 N VAL A 62 35.149 31.723 35.643 1.00 0.00 N ATOM 930 CA VAL A 62 34.073 30.739 35.616 1.00 0.00 C ATOM 931 C VAL A 62 33.266 30.843 34.328 1.00 0.00 C ATOM 932 O VAL A 62 33.388 31.816 33.584 1.00 0.00 O ATOM 933 CB VAL A 62 33.126 30.911 36.819 1.00 0.00 C ATOM 934 CG1 VAL A 62 33.881 30.719 38.125 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.455 32.276 36.777 1.00 0.00 C ATOM 0 H VAL A 62 34.904 32.627 35.239 1.00 0.00 H new ATOM 0 HA VAL A 62 34.541 29.756 35.669 1.00 0.00 H new ATOM 0 HB VAL A 62 32.350 30.148 36.761 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.196 30.844 38.963 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.310 29.717 38.153 1.00 0.00 H new ATOM 0 HG13 VAL A 62 34.679 31.458 38.196 1.00 0.00 H new ATOM 0 HG21 VAL A 62 31.790 32.381 37.634 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.215 33.056 36.810 1.00 0.00 H new ATOM 0 HG23 VAL A 62 31.879 32.370 35.857 1.00 0.00 H new ATOM 945 N GLU A 63 32.440 29.834 34.070 1.00 0.00 N ATOM 946 CA GLU A 63 31.612 29.813 32.870 1.00 0.00 C ATOM 947 C GLU A 63 30.177 29.417 33.206 1.00 0.00 C ATOM 948 O GLU A 63 29.932 28.676 34.159 1.00 0.00 O ATOM 949 CB GLU A 63 32.192 28.841 31.840 1.00 0.00 C ATOM 950 CG GLU A 63 31.542 28.946 30.471 1.00 0.00 C ATOM 951 CD GLU A 63 30.597 27.795 30.185 1.00 0.00 C ATOM 952 OE1 GLU A 63 29.912 27.342 31.126 1.00 0.00 O ATOM 953 OE2 GLU A 63 30.541 27.348 29.020 1.00 0.00 O ATOM 0 H GLU A 63 32.326 29.021 34.675 1.00 0.00 H new ATOM 0 HA GLU A 63 31.605 30.818 32.447 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.262 29.026 31.740 1.00 0.00 H new ATOM 0 HB3 GLU A 63 32.078 27.822 32.210 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.995 29.886 30.404 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.318 28.973 29.706 1.00 0.00 H new ATOM 960 N PHE A 64 29.231 29.917 32.418 1.00 0.00 N ATOM 961 CA PHE A 64 27.820 29.618 32.632 1.00 0.00 C ATOM 962 C PHE A 64 27.024 29.799 31.343 1.00 0.00 C ATOM 963 O PHE A 64 27.563 30.224 30.320 1.00 0.00 O ATOM 964 CB PHE A 64 27.247 30.516 33.729 1.00 0.00 C ATOM 965 CG PHE A 64 27.540 31.975 33.523 1.00 0.00 C ATOM 966 CD1 PHE A 64 26.768 32.735 32.660 1.00 0.00 C ATOM 967 CD2 PHE A 64 28.588 32.586 34.194 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.036 34.078 32.468 1.00 0.00 C ATOM 969 CE2 PHE A 64 28.860 33.928 34.006 1.00 0.00 C ATOM 970 CZ PHE A 64 28.083 34.675 33.143 1.00 0.00 C ATOM 0 H PHE A 64 29.416 30.531 31.625 1.00 0.00 H new ATOM 0 HA PHE A 64 27.739 28.577 32.945 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.167 30.374 33.777 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.653 30.204 34.691 1.00 0.00 H new ATOM 0 HD1 PHE A 64 25.947 32.273 32.131 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.199 32.007 34.871 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.427 34.659 31.791 1.00 0.00 H new ATOM 0 HE2 PHE A 64 29.680 34.392 34.534 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.293 35.724 32.996 1.00 0.00 H new ATOM 980 N THR A 65 25.736 29.474 31.399 1.00 0.00 N ATOM 981 CA THR A 65 24.865 29.599 30.237 1.00 0.00 C ATOM 982 C THR A 65 23.562 30.302 30.600 1.00 0.00 C ATOM 983 O THR A 65 22.749 29.770 31.356 1.00 0.00 O ATOM 984 CB THR A 65 24.540 28.222 29.628 1.00 0.00 C ATOM 985 OG1 THR A 65 25.751 27.502 29.370 1.00 0.00 O ATOM 986 CG2 THR A 65 23.750 28.374 28.337 1.00 0.00 C ATOM 0 H THR A 65 25.273 29.122 32.237 1.00 0.00 H new ATOM 0 HA THR A 65 25.404 30.196 29.501 1.00 0.00 H new ATOM 0 HB THR A 65 23.933 27.667 30.344 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.536 26.627 28.985 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.532 27.388 27.926 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.815 28.896 28.542 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.335 28.946 27.617 1.00 0.00 H new ATOM 994 N ILE A 66 23.370 31.499 30.056 1.00 0.00 N ATOM 995 CA ILE A 66 22.164 32.273 30.322 1.00 0.00 C ATOM 996 C ILE A 66 20.962 31.688 29.588 1.00 0.00 C ATOM 997 O ILE A 66 20.945 31.615 28.359 1.00 0.00 O ATOM 998 CB ILE A 66 22.337 33.746 29.906 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.580 34.343 30.568 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.098 34.549 30.272 1.00 0.00 C ATOM 1001 CD1 ILE A 66 23.523 34.334 32.080 1.00 0.00 C ATOM 0 H ILE A 66 24.034 31.954 29.429 1.00 0.00 H new ATOM 0 HA ILE A 66 21.990 32.225 31.397 1.00 0.00 H new ATOM 0 HB ILE A 66 22.468 33.790 28.825 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.458 33.786 30.242 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.708 35.369 30.223 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.236 35.588 29.972 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.231 34.135 29.758 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.938 34.501 31.349 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.437 34.772 32.481 1.00 0.00 H new ATOM 0 HD12 ILE A 66 22.664 34.916 32.415 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.427 33.308 32.434 1.00 0.00 H new ATOM 1013 N LYS A 67 19.955 31.272 30.350 1.00 0.00 N ATOM 1014 CA LYS A 67 18.746 30.696 29.774 1.00 0.00 C ATOM 1015 C LYS A 67 17.591 31.691 29.825 1.00 0.00 C ATOM 1016 O LYS A 67 17.702 32.754 30.436 1.00 0.00 O ATOM 1017 CB LYS A 67 18.363 29.414 30.518 1.00 0.00 C ATOM 1018 CG LYS A 67 19.526 28.458 30.722 1.00 0.00 C ATOM 1019 CD LYS A 67 20.129 28.024 29.397 1.00 0.00 C ATOM 1020 CE LYS A 67 20.337 26.518 29.345 1.00 0.00 C ATOM 1021 NZ LYS A 67 20.554 26.035 27.953 1.00 0.00 N ATOM 0 H LYS A 67 19.953 31.323 31.369 1.00 0.00 H new ATOM 0 HA LYS A 67 18.949 30.456 28.730 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.946 29.679 31.490 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.577 28.903 29.963 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.291 28.939 31.331 1.00 0.00 H new ATOM 0 HG3 LYS A 67 19.185 27.581 31.272 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.475 28.330 28.581 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.083 28.529 29.247 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.195 26.249 29.961 1.00 0.00 H new ATOM 0 HE3 LYS A 67 19.468 26.017 29.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.624 24.997 27.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.755 26.328 27.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 21.435 26.441 27.578 1.00 0.00 H new ATOM 1035 N ASP A 68 16.484 31.338 29.182 1.00 0.00 N ATOM 1036 CA ASP A 68 15.307 32.199 29.157 1.00 0.00 C ATOM 1037 C ASP A 68 14.515 32.075 30.455 1.00 0.00 C ATOM 1038 O ASP A 68 13.527 31.343 30.523 1.00 0.00 O ATOM 1039 CB ASP A 68 14.416 31.846 27.965 1.00 0.00 C ATOM 1040 CG ASP A 68 13.491 32.983 27.577 1.00 0.00 C ATOM 1041 OD1 ASP A 68 13.882 34.155 27.759 1.00 0.00 O ATOM 1042 OD2 ASP A 68 12.377 32.700 27.090 1.00 0.00 O ATOM 0 H ASP A 68 16.377 30.462 28.671 1.00 0.00 H new ATOM 0 HA ASP A 68 15.644 33.231 29.056 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.042 31.584 27.112 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.822 30.965 28.207 1.00 0.00 H new ATOM 1047 N ARG A 69 14.956 32.794 31.482 1.00 0.00 N ATOM 1048 CA ARG A 69 14.289 32.763 32.778 1.00 0.00 C ATOM 1049 C ARG A 69 13.443 34.016 32.985 1.00 0.00 C ATOM 1050 O ARG A 69 13.972 35.101 33.221 1.00 0.00 O ATOM 1051 CB ARG A 69 15.319 32.639 33.902 1.00 0.00 C ATOM 1052 CG ARG A 69 14.875 31.732 35.038 1.00 0.00 C ATOM 1053 CD ARG A 69 15.270 30.286 34.784 1.00 0.00 C ATOM 1054 NE ARG A 69 14.126 29.382 34.871 1.00 0.00 N ATOM 1055 CZ ARG A 69 14.237 28.073 35.065 1.00 0.00 C ATOM 1056 NH1 ARG A 69 15.434 27.517 35.191 1.00 0.00 N ATOM 1057 NH2 ARG A 69 13.149 27.317 35.133 1.00 0.00 N ATOM 0 H ARG A 69 15.772 33.405 31.442 1.00 0.00 H new ATOM 0 HA ARG A 69 13.631 31.894 32.799 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.252 32.258 33.488 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.529 33.631 34.302 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.320 32.073 35.973 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.794 31.799 35.157 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.724 30.202 33.796 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.026 29.984 35.509 1.00 0.00 H new ATOM 0 HE ARG A 69 13.191 29.778 34.778 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.273 28.095 35.139 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.516 26.511 35.340 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.226 27.741 35.036 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.235 26.312 35.282 1.00 0.00 H new ATOM 1071 N ASN A 70 12.127 33.856 32.894 1.00 0.00 N ATOM 1072 CA ASN A 70 11.208 34.975 33.070 1.00 0.00 C ATOM 1073 C ASN A 70 11.453 35.676 34.403 1.00 0.00 C ATOM 1074 O ASN A 70 11.133 35.144 35.465 1.00 0.00 O ATOM 1075 CB ASN A 70 9.759 34.488 32.997 1.00 0.00 C ATOM 1076 CG ASN A 70 9.135 34.733 31.637 1.00 0.00 C ATOM 1077 OD1 ASN A 70 9.505 35.671 30.932 1.00 0.00 O ATOM 1078 ND2 ASN A 70 8.182 33.887 31.263 1.00 0.00 N ATOM 0 H ASN A 70 11.673 32.963 32.700 1.00 0.00 H new ATOM 0 HA ASN A 70 11.386 35.689 32.266 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.725 33.422 33.223 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.169 34.995 33.761 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.725 34.001 30.358 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.907 33.123 31.880 1.00 0.00 H new ATOM 1085 N GLY A 71 12.024 36.876 34.338 1.00 0.00 N ATOM 1086 CA GLY A 71 12.303 37.631 35.545 1.00 0.00 C ATOM 1087 C GLY A 71 13.721 38.164 35.582 1.00 0.00 C ATOM 1088 O GLY A 71 13.980 39.292 35.163 1.00 0.00 O ATOM 0 H GLY A 71 12.298 37.338 33.471 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.603 38.464 35.619 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.135 36.995 36.414 1.00 0.00 H new ATOM 1092 N LYS A 72 14.644 37.351 36.085 1.00 0.00 N ATOM 1093 CA LYS A 72 16.045 37.745 36.176 1.00 0.00 C ATOM 1094 C LYS A 72 16.946 36.710 35.511 1.00 0.00 C ATOM 1095 O LYS A 72 16.567 35.549 35.362 1.00 0.00 O ATOM 1096 CB LYS A 72 16.451 37.925 37.640 1.00 0.00 C ATOM 1097 CG LYS A 72 16.398 39.367 38.114 1.00 0.00 C ATOM 1098 CD LYS A 72 17.603 40.157 37.632 1.00 0.00 C ATOM 1099 CE LYS A 72 18.237 40.952 38.763 1.00 0.00 C ATOM 1100 NZ LYS A 72 17.341 42.038 39.248 1.00 0.00 N ATOM 0 H LYS A 72 14.447 36.414 36.436 1.00 0.00 H new ATOM 0 HA LYS A 72 16.164 38.694 35.653 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.795 37.321 38.267 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.463 37.543 37.777 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.484 39.837 37.750 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.357 39.392 39.203 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.340 39.475 37.207 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.299 40.835 36.835 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.475 40.282 39.589 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.178 41.383 38.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.809 42.556 40.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.134 42.692 38.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.453 41.625 39.598 1.00 0.00 H new ATOM 1114 N GLU A 73 18.140 37.139 35.114 1.00 0.00 N ATOM 1115 CA GLU A 73 19.094 36.247 34.465 1.00 0.00 C ATOM 1116 C GLU A 73 20.081 35.676 35.479 1.00 0.00 C ATOM 1117 O GLU A 73 20.913 36.399 36.027 1.00 0.00 O ATOM 1118 CB GLU A 73 19.851 36.990 33.362 1.00 0.00 C ATOM 1119 CG GLU A 73 18.992 37.327 32.155 1.00 0.00 C ATOM 1120 CD GLU A 73 19.710 38.218 31.159 1.00 0.00 C ATOM 1121 OE1 GLU A 73 20.853 38.630 31.447 1.00 0.00 O ATOM 1122 OE2 GLU A 73 19.127 38.502 30.092 1.00 0.00 O ATOM 0 H GLU A 73 18.469 38.097 35.230 1.00 0.00 H new ATOM 0 HA GLU A 73 18.538 35.422 34.021 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.263 37.912 33.773 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.695 36.381 33.038 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.690 36.404 31.660 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.081 37.823 32.489 1.00 0.00 H new ATOM 1129 N VAL A 74 19.981 34.373 35.725 1.00 0.00 N ATOM 1130 CA VAL A 74 20.864 33.704 36.672 1.00 0.00 C ATOM 1131 C VAL A 74 21.650 32.586 35.995 1.00 0.00 C ATOM 1132 O VAL A 74 21.139 31.903 35.108 1.00 0.00 O ATOM 1133 CB VAL A 74 20.075 33.117 37.857 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.399 34.225 38.650 1.00 0.00 C ATOM 1135 CG2 VAL A 74 19.053 32.102 37.365 1.00 0.00 C ATOM 0 H VAL A 74 19.297 33.760 35.281 1.00 0.00 H new ATOM 0 HA VAL A 74 21.558 34.458 37.045 1.00 0.00 H new ATOM 0 HB VAL A 74 20.774 32.604 38.518 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.846 33.791 39.483 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.154 34.911 39.034 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.711 34.768 38.002 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.504 31.697 38.215 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.357 32.589 36.682 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.565 31.293 36.845 1.00 0.00 H new ATOM 1145 N ALA A 75 22.896 32.405 36.420 1.00 0.00 N ATOM 1146 CA ALA A 75 23.752 31.369 35.857 1.00 0.00 C ATOM 1147 C ALA A 75 23.531 30.033 36.559 1.00 0.00 C ATOM 1148 O ALA A 75 23.778 29.901 37.758 1.00 0.00 O ATOM 1149 CB ALA A 75 25.214 31.782 35.953 1.00 0.00 C ATOM 0 H ALA A 75 23.335 32.963 37.153 1.00 0.00 H new ATOM 0 HA ALA A 75 23.489 31.246 34.806 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.842 30.999 35.529 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.367 32.709 35.401 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.481 31.935 36.999 1.00 0.00 H new ATOM 1155 N THR A 76 23.063 29.044 35.804 1.00 0.00 N ATOM 1156 CA THR A 76 22.806 27.719 36.354 1.00 0.00 C ATOM 1157 C THR A 76 23.986 26.784 36.109 1.00 0.00 C ATOM 1158 O THR A 76 24.546 26.750 35.013 1.00 0.00 O ATOM 1159 CB THR A 76 21.536 27.094 35.745 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.812 28.082 35.004 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.645 26.513 36.832 1.00 0.00 C ATOM 0 H THR A 76 22.854 29.136 34.810 1.00 0.00 H new ATOM 0 HA THR A 76 22.661 27.845 37.427 1.00 0.00 H new ATOM 0 HB THR A 76 21.838 26.288 35.076 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.007 27.677 34.619 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.755 26.077 36.378 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.190 25.741 37.375 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.351 27.304 37.522 1.00 0.00 H new ATOM 1169 N ASP A 77 24.357 26.027 37.135 1.00 0.00 N ATOM 1170 CA ASP A 77 25.470 25.090 37.031 1.00 0.00 C ATOM 1171 C ASP A 77 26.728 25.794 36.533 1.00 0.00 C ATOM 1172 O ASP A 77 27.128 25.632 35.379 1.00 0.00 O ATOM 1173 CB ASP A 77 25.108 23.939 36.091 1.00 0.00 C ATOM 1174 CG ASP A 77 24.347 22.834 36.796 1.00 0.00 C ATOM 1175 OD1 ASP A 77 24.999 21.958 37.402 1.00 0.00 O ATOM 1176 OD2 ASP A 77 23.099 22.844 36.741 1.00 0.00 O ATOM 0 H ASP A 77 23.904 26.043 38.049 1.00 0.00 H new ATOM 0 HA ASP A 77 25.670 24.689 38.024 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.506 24.322 35.267 1.00 0.00 H new ATOM 0 HB3 ASP A 77 26.019 23.528 35.656 1.00 0.00 H new ATOM 1181 N VAL A 78 27.349 26.577 37.409 1.00 0.00 N ATOM 1182 CA VAL A 78 28.562 27.306 37.059 1.00 0.00 C ATOM 1183 C VAL A 78 29.791 26.412 37.168 1.00 0.00 C ATOM 1184 O VAL A 78 29.998 25.745 38.182 1.00 0.00 O ATOM 1185 CB VAL A 78 28.756 28.540 37.961 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.053 29.255 37.616 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.569 29.482 37.836 1.00 0.00 C ATOM 0 H VAL A 78 27.032 26.723 38.367 1.00 0.00 H new ATOM 0 HA VAL A 78 28.446 27.635 36.026 1.00 0.00 H new ATOM 0 HB VAL A 78 28.818 28.206 38.997 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.173 30.124 38.263 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.893 28.576 37.761 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.024 29.579 36.576 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.723 30.348 38.480 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.473 29.811 36.801 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.659 28.963 38.137 1.00 0.00 H new ATOM 1197 N ARG A 79 30.605 26.403 36.117 1.00 0.00 N ATOM 1198 CA ARG A 79 31.815 25.589 36.094 1.00 0.00 C ATOM 1199 C ARG A 79 33.059 26.468 36.013 1.00 0.00 C ATOM 1200 O ARG A 79 33.173 27.322 35.132 1.00 0.00 O ATOM 1201 CB ARG A 79 31.782 24.622 34.910 1.00 0.00 C ATOM 1202 CG ARG A 79 30.691 23.569 35.014 1.00 0.00 C ATOM 1203 CD ARG A 79 29.652 23.733 33.915 1.00 0.00 C ATOM 1204 NE ARG A 79 30.102 23.164 32.647 1.00 0.00 N ATOM 1205 CZ ARG A 79 29.337 23.084 31.565 1.00 0.00 C ATOM 1206 NH1 ARG A 79 28.090 23.534 31.596 1.00 0.00 N ATOM 1207 NH2 ARG A 79 29.818 22.553 30.448 1.00 0.00 N ATOM 0 H ARG A 79 30.449 26.950 35.270 1.00 0.00 H new ATOM 0 HA ARG A 79 31.856 25.016 37.020 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.640 25.191 33.991 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.749 24.125 34.831 1.00 0.00 H new ATOM 0 HG2 ARG A 79 31.135 22.576 34.951 1.00 0.00 H new ATOM 0 HG3 ARG A 79 30.207 23.640 35.988 1.00 0.00 H new ATOM 0 HD2 ARG A 79 28.723 23.251 34.219 1.00 0.00 H new ATOM 0 HD3 ARG A 79 29.432 24.792 33.779 1.00 0.00 H new ATOM 0 HE ARG A 79 31.056 22.809 32.590 1.00 0.00 H new ATOM 0 HH11 ARG A 79 27.716 23.943 32.453 1.00 0.00 H new ATOM 0 HH12 ARG A 79 27.504 23.471 30.763 1.00 0.00 H new ATOM 0 HH21 ARG A 79 30.777 22.206 30.420 1.00 0.00 H new ATOM 0 HH22 ARG A 79 29.229 22.492 29.617 1.00 0.00 H new ATOM 1221 N LEU A 80 33.990 26.254 36.937 1.00 0.00 N ATOM 1222 CA LEU A 80 35.227 27.027 36.970 1.00 0.00 C ATOM 1223 C LEU A 80 35.988 26.893 35.655 1.00 0.00 C ATOM 1224 O LEU A 80 36.098 25.801 35.097 1.00 0.00 O ATOM 1225 CB LEU A 80 36.108 26.566 38.132 1.00 0.00 C ATOM 1226 CG LEU A 80 36.072 27.437 39.389 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.682 26.697 40.569 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.799 28.752 39.148 1.00 0.00 C ATOM 0 H LEU A 80 33.912 25.552 37.673 1.00 0.00 H new ATOM 0 HA LEU A 80 34.968 28.076 37.113 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.811 25.554 38.407 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.139 26.512 37.781 1.00 0.00 H new ATOM 0 HG LEU A 80 35.031 27.658 39.624 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.648 27.332 41.454 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.118 25.783 40.756 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.718 26.444 40.344 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.763 29.359 40.053 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.838 28.551 38.887 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.317 29.290 38.331 1.00 0.00 H new ATOM 1240 N LEU A 81 36.514 28.011 35.166 1.00 0.00 N ATOM 1241 CA LEU A 81 37.269 28.018 33.917 1.00 0.00 C ATOM 1242 C LEU A 81 38.700 27.541 34.142 1.00 0.00 C ATOM 1243 O LEU A 81 39.221 27.568 35.257 1.00 0.00 O ATOM 1244 CB LEU A 81 37.277 29.423 33.312 1.00 0.00 C ATOM 1245 CG LEU A 81 36.049 29.805 32.484 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.109 31.271 32.085 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.942 28.919 31.251 1.00 0.00 C ATOM 0 H LEU A 81 36.432 28.923 35.615 1.00 0.00 H new ATOM 0 HA LEU A 81 36.783 27.332 33.223 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.383 30.145 34.122 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.160 29.520 32.681 1.00 0.00 H new ATOM 0 HG LEU A 81 35.160 29.653 33.096 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.227 31.524 31.497 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.138 31.891 32.981 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.005 31.450 31.491 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.063 29.204 30.673 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.835 29.040 30.637 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.852 27.877 31.558 1.00 0.00 H new ATOM 1259 N PRO A 82 39.352 27.095 33.059 1.00 0.00 N ATOM 1260 CA PRO A 82 40.733 26.605 33.112 1.00 0.00 C ATOM 1261 C PRO A 82 41.735 27.724 33.375 1.00 0.00 C ATOM 1262 O PRO A 82 41.438 28.898 33.156 1.00 0.00 O ATOM 1263 CB PRO A 82 40.952 26.009 31.719 1.00 0.00 C ATOM 1264 CG PRO A 82 39.991 26.734 30.841 1.00 0.00 C ATOM 1265 CD PRO A 82 38.792 27.034 31.698 1.00 0.00 C ATOM 0 HA PRO A 82 40.882 25.893 33.924 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.979 26.152 31.384 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.761 24.936 31.713 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.433 27.652 30.453 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.713 26.125 29.980 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.321 27.975 31.415 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.031 26.258 31.611 1.00 0.00 H new ATOM 1273 N GLN A 83 42.921 27.352 33.846 1.00 0.00 N ATOM 1274 CA GLN A 83 43.966 28.326 34.139 1.00 0.00 C ATOM 1275 C GLN A 83 45.102 28.226 33.126 1.00 0.00 C ATOM 1276 O GLN A 83 45.134 27.314 32.301 1.00 0.00 O ATOM 1277 CB GLN A 83 44.507 28.114 35.554 1.00 0.00 C ATOM 1278 CG GLN A 83 43.720 28.853 36.623 1.00 0.00 C ATOM 1279 CD GLN A 83 44.143 30.302 36.762 1.00 0.00 C ATOM 1280 OE1 GLN A 83 45.172 30.715 36.226 1.00 0.00 O ATOM 1281 NE2 GLN A 83 43.349 31.084 37.485 1.00 0.00 N ATOM 0 H GLN A 83 43.182 26.384 34.033 1.00 0.00 H new ATOM 0 HA GLN A 83 43.530 29.323 34.070 1.00 0.00 H new ATOM 0 HB2 GLN A 83 44.500 27.048 35.781 1.00 0.00 H new ATOM 0 HB3 GLN A 83 45.546 28.440 35.589 1.00 0.00 H new ATOM 0 HG2 GLN A 83 42.658 28.810 36.382 1.00 0.00 H new ATOM 0 HG3 GLN A 83 43.850 28.347 37.580 1.00 0.00 H new ATOM 0 HE21 GLN A 83 42.506 30.700 37.911 1.00 0.00 H new ATOM 0 HE22 GLN A 83 43.583 32.069 37.614 1.00 0.00 H new ATOM 1290 N GLY A 84 46.035 29.171 33.196 1.00 0.00 N ATOM 1291 CA GLY A 84 47.160 29.171 32.279 1.00 0.00 C ATOM 1292 C GLY A 84 48.426 28.632 32.915 1.00 0.00 C ATOM 1293 O GLY A 84 49.028 27.683 32.412 1.00 0.00 O ATOM 0 H GLY A 84 46.032 29.936 33.871 1.00 0.00 H new ATOM 0 HA2 GLY A 84 46.912 28.570 31.404 1.00 0.00 H new ATOM 0 HA3 GLY A 84 47.338 30.187 31.927 1.00 0.00 H new ATOM 1297 N THR A 85 48.834 29.239 34.025 1.00 0.00 N ATOM 1298 CA THR A 85 50.038 28.817 34.730 1.00 0.00 C ATOM 1299 C THR A 85 49.691 28.063 36.009 1.00 0.00 C ATOM 1300 O THR A 85 49.188 28.648 36.968 1.00 0.00 O ATOM 1301 CB THR A 85 50.933 30.019 35.083 1.00 0.00 C ATOM 1302 OG1 THR A 85 50.126 31.178 35.320 1.00 0.00 O ATOM 1303 CG2 THR A 85 51.922 30.305 33.963 1.00 0.00 C ATOM 0 H THR A 85 48.348 30.025 34.456 1.00 0.00 H new ATOM 0 HA THR A 85 50.582 28.154 34.057 1.00 0.00 H new ATOM 0 HB THR A 85 51.492 29.774 35.986 1.00 0.00 H new ATOM 0 HG1 THR A 85 50.703 31.938 35.546 1.00 0.00 H new ATOM 0 HG21 THR A 85 52.543 31.158 34.235 1.00 0.00 H new ATOM 0 HG22 THR A 85 52.554 29.432 33.804 1.00 0.00 H new ATOM 0 HG23 THR A 85 51.378 30.530 33.046 1.00 0.00 H new ATOM 1311 N VAL A 86 49.963 26.762 36.016 1.00 0.00 N ATOM 1312 CA VAL A 86 49.681 25.928 37.178 1.00 0.00 C ATOM 1313 C VAL A 86 50.852 25.002 37.487 1.00 0.00 C ATOM 1314 O VAL A 86 51.550 24.544 36.582 1.00 0.00 O ATOM 1315 CB VAL A 86 48.413 25.081 36.967 1.00 0.00 C ATOM 1316 CG1 VAL A 86 48.034 24.356 38.249 1.00 0.00 C ATOM 1317 CG2 VAL A 86 47.265 25.952 36.478 1.00 0.00 C ATOM 0 H VAL A 86 50.379 26.263 35.230 1.00 0.00 H new ATOM 0 HA VAL A 86 49.522 26.602 38.020 1.00 0.00 H new ATOM 0 HB VAL A 86 48.622 24.332 36.203 1.00 0.00 H new ATOM 0 HG11 VAL A 86 47.135 23.763 38.079 1.00 0.00 H new ATOM 0 HG12 VAL A 86 48.850 23.700 38.551 1.00 0.00 H new ATOM 0 HG13 VAL A 86 47.844 25.085 39.037 1.00 0.00 H new ATOM 0 HG21 VAL A 86 46.377 25.337 36.334 1.00 0.00 H new ATOM 0 HG22 VAL A 86 47.055 26.725 37.217 1.00 0.00 H new ATOM 0 HG23 VAL A 86 47.540 26.419 35.532 1.00 0.00 H new ATOM 1327 N ILE A 87 51.062 24.731 38.771 1.00 0.00 N ATOM 1328 CA ILE A 87 52.148 23.858 39.199 1.00 0.00 C ATOM 1329 C ILE A 87 51.689 22.406 39.271 1.00 0.00 C ATOM 1330 O ILE A 87 50.562 22.118 39.674 1.00 0.00 O ATOM 1331 CB ILE A 87 52.700 24.280 40.574 1.00 0.00 C ATOM 1332 CG1 ILE A 87 53.173 25.734 40.534 1.00 0.00 C ATOM 1333 CG2 ILE A 87 53.836 23.359 40.993 1.00 0.00 C ATOM 1334 CD1 ILE A 87 53.405 26.332 41.904 1.00 0.00 C ATOM 0 H ILE A 87 50.495 25.103 39.533 1.00 0.00 H new ATOM 0 HA ILE A 87 52.940 23.950 38.455 1.00 0.00 H new ATOM 0 HB ILE A 87 51.901 24.198 41.311 1.00 0.00 H new ATOM 0 HG12 ILE A 87 54.098 25.791 39.960 1.00 0.00 H new ATOM 0 HG13 ILE A 87 52.432 26.334 40.005 1.00 0.00 H new ATOM 0 HG21 ILE A 87 54.216 23.669 41.966 1.00 0.00 H new ATOM 0 HG22 ILE A 87 53.469 22.335 41.057 1.00 0.00 H new ATOM 0 HG23 ILE A 87 54.638 23.412 40.257 1.00 0.00 H new ATOM 0 HD11 ILE A 87 53.739 27.364 41.799 1.00 0.00 H new ATOM 0 HD12 ILE A 87 52.476 26.307 42.474 1.00 0.00 H new ATOM 0 HD13 ILE A 87 54.168 25.756 42.428 1.00 0.00 H new ATOM 1346 N PHE A 88 52.572 21.493 38.881 1.00 0.00 N ATOM 1347 CA PHE A 88 52.259 20.068 38.902 1.00 0.00 C ATOM 1348 C PHE A 88 51.992 19.591 40.326 1.00 0.00 C ATOM 1349 O PHE A 88 52.678 19.993 41.265 1.00 0.00 O ATOM 1350 CB PHE A 88 53.407 19.263 38.289 1.00 0.00 C ATOM 1351 CG PHE A 88 54.662 19.287 39.113 1.00 0.00 C ATOM 1352 CD1 PHE A 88 54.870 18.347 40.110 1.00 0.00 C ATOM 1353 CD2 PHE A 88 55.635 20.248 38.891 1.00 0.00 C ATOM 1354 CE1 PHE A 88 56.024 18.366 40.871 1.00 0.00 C ATOM 1355 CE2 PHE A 88 56.791 20.271 39.648 1.00 0.00 C ATOM 1356 CZ PHE A 88 56.985 19.330 40.639 1.00 0.00 C ATOM 0 H PHE A 88 53.510 21.714 38.547 1.00 0.00 H new ATOM 0 HA PHE A 88 51.357 19.911 38.310 1.00 0.00 H new ATOM 0 HB2 PHE A 88 53.087 18.229 38.159 1.00 0.00 H new ATOM 0 HB3 PHE A 88 53.626 19.656 37.296 1.00 0.00 H new ATOM 0 HD1 PHE A 88 54.122 17.591 40.295 1.00 0.00 H new ATOM 0 HD2 PHE A 88 55.488 20.987 38.118 1.00 0.00 H new ATOM 0 HE1 PHE A 88 56.174 17.628 41.645 1.00 0.00 H new ATOM 0 HE2 PHE A 88 57.542 21.025 39.464 1.00 0.00 H new ATOM 0 HZ PHE A 88 57.887 19.348 41.232 1.00 0.00 H new ATOM 1366 N GLU A 89 50.989 18.732 40.478 1.00 0.00 N ATOM 1367 CA GLU A 89 50.629 18.201 41.787 1.00 0.00 C ATOM 1368 C GLU A 89 51.148 16.776 41.958 1.00 0.00 C ATOM 1369 O GLU A 89 51.847 16.251 41.091 1.00 0.00 O ATOM 1370 CB GLU A 89 49.111 18.229 41.975 1.00 0.00 C ATOM 1371 CG GLU A 89 48.471 19.544 41.564 1.00 0.00 C ATOM 1372 CD GLU A 89 47.033 19.664 42.030 1.00 0.00 C ATOM 1373 OE1 GLU A 89 46.164 18.972 41.460 1.00 0.00 O ATOM 1374 OE2 GLU A 89 46.778 20.451 42.966 1.00 0.00 O ATOM 0 H GLU A 89 50.411 18.389 39.710 1.00 0.00 H new ATOM 0 HA GLU A 89 51.093 18.832 42.546 1.00 0.00 H new ATOM 0 HB2 GLU A 89 48.666 17.421 41.394 1.00 0.00 H new ATOM 0 HB3 GLU A 89 48.879 18.033 43.022 1.00 0.00 H new ATOM 0 HG2 GLU A 89 49.052 20.370 41.974 1.00 0.00 H new ATOM 0 HG3 GLU A 89 48.506 19.637 40.479 1.00 0.00 H new ATOM 1381 N ASP A 90 50.802 16.158 43.081 1.00 0.00 N ATOM 1382 CA ASP A 90 51.231 14.794 43.366 1.00 0.00 C ATOM 1383 C ASP A 90 52.753 14.688 43.347 1.00 0.00 C ATOM 1384 O ASP A 90 53.322 13.937 42.554 1.00 0.00 O ATOM 1385 CB ASP A 90 50.627 13.823 42.351 1.00 0.00 C ATOM 1386 CG ASP A 90 49.114 13.908 42.297 1.00 0.00 C ATOM 1387 OD1 ASP A 90 48.594 14.972 41.902 1.00 0.00 O ATOM 1388 OD2 ASP A 90 48.450 12.911 42.652 1.00 0.00 O ATOM 0 H ASP A 90 50.226 16.580 43.809 1.00 0.00 H new ATOM 0 HA ASP A 90 50.878 14.530 44.363 1.00 0.00 H new ATOM 0 HB2 ASP A 90 51.035 14.035 41.363 1.00 0.00 H new ATOM 0 HB3 ASP A 90 50.922 12.805 42.606 1.00 0.00 H new ATOM 1393 N ILE A 91 53.405 15.444 44.223 1.00 0.00 N ATOM 1394 CA ILE A 91 54.860 15.435 44.306 1.00 0.00 C ATOM 1395 C ILE A 91 55.379 14.060 44.714 1.00 0.00 C ATOM 1396 O ILE A 91 56.465 13.649 44.306 1.00 0.00 O ATOM 1397 CB ILE A 91 55.373 16.483 45.311 1.00 0.00 C ATOM 1398 CG1 ILE A 91 54.816 17.866 44.967 1.00 0.00 C ATOM 1399 CG2 ILE A 91 56.894 16.506 45.321 1.00 0.00 C ATOM 1400 CD1 ILE A 91 53.741 18.339 45.921 1.00 0.00 C ATOM 0 H ILE A 91 52.949 16.071 44.886 1.00 0.00 H new ATOM 0 HA ILE A 91 55.234 15.682 43.312 1.00 0.00 H new ATOM 0 HB ILE A 91 55.027 16.210 46.308 1.00 0.00 H new ATOM 0 HG12 ILE A 91 55.633 18.588 44.966 1.00 0.00 H new ATOM 0 HG13 ILE A 91 54.409 17.844 43.956 1.00 0.00 H new ATOM 0 HG21 ILE A 91 57.242 17.252 46.036 1.00 0.00 H new ATOM 0 HG22 ILE A 91 57.271 15.524 45.608 1.00 0.00 H new ATOM 0 HG23 ILE A 91 57.261 16.759 44.326 1.00 0.00 H new ATOM 0 HD11 ILE A 91 53.393 19.326 45.616 1.00 0.00 H new ATOM 0 HD12 ILE A 91 52.906 17.638 45.905 1.00 0.00 H new ATOM 0 HD13 ILE A 91 54.149 18.394 46.930 1.00 0.00 H new ATOM 1412 N SER A 92 54.593 13.352 45.519 1.00 0.00 N ATOM 1413 CA SER A 92 54.974 12.023 45.984 1.00 0.00 C ATOM 1414 C SER A 92 54.859 11.000 44.858 1.00 0.00 C ATOM 1415 O SER A 92 54.584 11.351 43.711 1.00 0.00 O ATOM 1416 CB SER A 92 54.095 11.601 47.163 1.00 0.00 C ATOM 1417 OG SER A 92 54.875 11.372 48.324 1.00 0.00 O ATOM 0 H SER A 92 53.689 13.676 45.863 1.00 0.00 H new ATOM 0 HA SER A 92 56.013 12.063 46.310 1.00 0.00 H new ATOM 0 HB2 SER A 92 53.355 12.376 47.365 1.00 0.00 H new ATOM 0 HB3 SER A 92 53.546 10.695 46.905 1.00 0.00 H new ATOM 0 HG SER A 92 54.290 11.105 49.064 1.00 0.00 H new ATOM 1423 N GLY A 93 55.071 9.732 45.195 1.00 0.00 N ATOM 1424 CA GLY A 93 54.988 8.677 44.202 1.00 0.00 C ATOM 1425 C GLY A 93 54.115 7.523 44.655 1.00 0.00 C ATOM 1426 O GLY A 93 53.504 7.560 45.723 1.00 0.00 O ATOM 0 H GLY A 93 55.299 9.416 46.138 1.00 0.00 H new ATOM 0 HA2 GLY A 93 54.591 9.087 43.273 1.00 0.00 H new ATOM 0 HA3 GLY A 93 55.990 8.307 43.984 1.00 0.00 H new ATOM 1430 N PRO A 94 54.048 6.467 43.829 1.00 0.00 N ATOM 1431 CA PRO A 94 53.245 5.278 44.129 1.00 0.00 C ATOM 1432 C PRO A 94 53.824 4.464 45.281 1.00 0.00 C ATOM 1433 O PRO A 94 55.010 4.134 45.287 1.00 0.00 O ATOM 1434 CB PRO A 94 53.300 4.475 42.827 1.00 0.00 C ATOM 1435 CG PRO A 94 54.563 4.909 42.168 1.00 0.00 C ATOM 1436 CD PRO A 94 54.750 6.354 42.540 1.00 0.00 C ATOM 0 HA PRO A 94 52.234 5.537 44.443 1.00 0.00 H new ATOM 0 HB2 PRO A 94 53.304 3.403 43.023 1.00 0.00 H new ATOM 0 HB3 PRO A 94 52.434 4.681 42.198 1.00 0.00 H new ATOM 0 HG2 PRO A 94 55.406 4.307 42.506 1.00 0.00 H new ATOM 0 HG3 PRO A 94 54.500 4.790 41.086 1.00 0.00 H new ATOM 0 HD2 PRO A 94 55.805 6.612 42.633 1.00 0.00 H new ATOM 0 HD3 PRO A 94 54.324 7.021 41.790 1.00 0.00 H new ATOM 1444 N SER A 95 52.978 4.141 46.255 1.00 0.00 N ATOM 1445 CA SER A 95 53.407 3.368 47.415 1.00 0.00 C ATOM 1446 C SER A 95 52.509 2.152 47.619 1.00 0.00 C ATOM 1447 O SER A 95 51.584 1.912 46.842 1.00 0.00 O ATOM 1448 CB SER A 95 53.393 4.242 48.670 1.00 0.00 C ATOM 1449 OG SER A 95 53.701 5.589 48.357 1.00 0.00 O ATOM 0 H SER A 95 51.992 4.403 46.264 1.00 0.00 H new ATOM 0 HA SER A 95 54.424 3.021 47.234 1.00 0.00 H new ATOM 0 HB2 SER A 95 52.412 4.190 49.142 1.00 0.00 H new ATOM 0 HB3 SER A 95 54.114 3.859 49.392 1.00 0.00 H new ATOM 0 HG SER A 95 53.684 6.127 49.176 1.00 0.00 H new ATOM 1455 N SER A 96 52.789 1.387 48.669 1.00 0.00 N ATOM 1456 CA SER A 96 52.010 0.192 48.974 1.00 0.00 C ATOM 1457 C SER A 96 50.643 0.565 49.540 1.00 0.00 C ATOM 1458 O SER A 96 50.537 1.394 50.443 1.00 0.00 O ATOM 1459 CB SER A 96 52.763 -0.693 49.970 1.00 0.00 C ATOM 1460 OG SER A 96 53.664 -1.559 49.302 1.00 0.00 O ATOM 0 H SER A 96 53.549 1.573 49.323 1.00 0.00 H new ATOM 0 HA SER A 96 51.862 -0.362 48.047 1.00 0.00 H new ATOM 0 HB2 SER A 96 53.310 -0.068 50.676 1.00 0.00 H new ATOM 0 HB3 SER A 96 52.051 -1.280 50.550 1.00 0.00 H new ATOM 0 HG SER A 96 54.134 -2.113 49.960 1.00 0.00 H new ATOM 1466 N GLY A 97 49.597 -0.054 49.001 1.00 0.00 N ATOM 1467 CA GLY A 97 48.250 0.225 49.463 1.00 0.00 C ATOM 1468 C GLY A 97 47.633 1.420 48.765 1.00 0.00 C ATOM 1469 O GLY A 97 46.851 1.264 47.828 1.00 0.00 O ATOM 0 H GLY A 97 49.659 -0.744 48.252 1.00 0.00 H new ATOM 0 HA2 GLY A 97 47.624 -0.652 49.297 1.00 0.00 H new ATOM 0 HA3 GLY A 97 48.268 0.405 50.538 1.00 0.00 H new TER 1473 GLY A 97