USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 684 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 56 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.21) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 17 SER OG : rot -113:sc= 0.112! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= -0.114 (180deg=-0.562) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 69:sc= 0.511 USER MOD Single : A 12 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.48) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -29:sc= 1.07 USER MOD Single : A 26 ASN : amide:sc= -0.0394 K(o=-0.039,f=-1.3) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -79:sc= 1.18 USER MOD Single : A 37 ASN : amide:sc= -3.2 K(o=-3.2,f=-4.6) USER MOD Single : A 41 SER OG : rot 65:sc= 0.334 USER MOD Single : A 42 SER OG : rot 128:sc= -0.317 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0513 K(o=-0.051,f=-4.6!) USER MOD Single : A 57 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.66) USER MOD Single : A 58 ASN : amide:sc= -0.0916 K(o=-0.092,f=-0.77) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 170:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -150:sc= -0.846 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0108 F(o=-0.52,f=-0.011) USER MOD Single : A 80 SER OG : rot 82:sc= 1.26 USER MOD Single : A 81 SER OG : rot 53:sc= 0.324 USER MOD Single : A 85 SER OG : rot -13:sc= 0.859 USER MOD Single : A 86 LYS NZ :NH3+ -159:sc= -0.105 (180deg=-0.643) USER MOD Single : A 87 MET CE :methyl -153:sc= -0.146 (180deg=-0.737) USER MOD Single : A 89 THR OG1 : rot 53:sc= 0.531 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.814 -2.018 0.623 1.00 42.33 N ATOM 2 CA GLY A 1 6.940 -0.572 0.638 1.00 63.10 C ATOM 3 C GLY A 1 6.261 0.082 -0.549 1.00 62.21 C ATOM 4 O GLY A 1 6.649 -0.144 -1.695 1.00 15.01 O ATOM 0 H1 GLY A 1 7.294 -2.417 1.455 1.00 42.33 H new ATOM 0 H2 GLY A 1 5.808 -2.279 0.646 1.00 42.33 H new ATOM 0 H3 GLY A 1 7.250 -2.395 -0.243 1.00 42.33 H new ATOM 0 HA2 GLY A 1 6.508 -0.182 1.560 1.00 63.10 H new ATOM 0 HA3 GLY A 1 7.996 -0.303 0.642 1.00 63.10 H new ATOM 8 N GLU A 2 5.244 0.893 -0.274 1.00 63.14 N ATOM 9 CA GLU A 2 4.509 1.579 -1.330 1.00 73.11 C ATOM 10 C GLU A 2 4.559 3.091 -1.134 1.00 11.43 C ATOM 11 O GLU A 2 4.680 3.850 -2.095 1.00 43.55 O ATOM 12 CB GLU A 2 3.054 1.105 -1.359 1.00 50.41 C ATOM 13 CG GLU A 2 2.753 0.131 -2.486 1.00 2.51 C ATOM 14 CD GLU A 2 1.671 -0.866 -2.121 1.00 61.24 C ATOM 15 OE1 GLU A 2 0.480 -0.498 -2.179 1.00 55.44 O ATOM 16 OE2 GLU A 2 2.017 -2.016 -1.778 1.00 73.32 O ATOM 0 H GLU A 2 4.911 1.091 0.670 1.00 63.14 H new ATOM 0 HA GLU A 2 4.982 1.338 -2.282 1.00 73.11 H new ATOM 0 HB2 GLU A 2 2.816 0.630 -0.407 1.00 50.41 H new ATOM 0 HB3 GLU A 2 2.400 1.972 -1.455 1.00 50.41 H new ATOM 0 HG2 GLU A 2 2.445 0.688 -3.371 1.00 2.51 H new ATOM 0 HG3 GLU A 2 3.664 -0.407 -2.749 1.00 2.51 H new ATOM 23 N LYS A 3 4.464 3.523 0.119 1.00 21.34 N ATOM 24 CA LYS A 3 4.499 4.944 0.445 1.00 61.43 C ATOM 25 C LYS A 3 5.881 5.354 0.944 1.00 31.50 C ATOM 26 O LYS A 3 6.016 6.290 1.732 1.00 14.31 O ATOM 27 CB LYS A 3 3.444 5.272 1.504 1.00 24.50 C ATOM 28 CG LYS A 3 3.767 4.710 2.878 1.00 4.50 C ATOM 29 CD LYS A 3 2.543 4.089 3.529 1.00 51.33 C ATOM 30 CE LYS A 3 2.325 2.660 3.056 1.00 2.01 C ATOM 31 NZ LYS A 3 3.432 1.760 3.484 1.00 72.25 N ATOM 0 H LYS A 3 4.362 2.908 0.927 1.00 21.34 H new ATOM 0 HA LYS A 3 4.279 5.505 -0.463 1.00 61.43 H new ATOM 0 HB2 LYS A 3 3.340 6.354 1.579 1.00 24.50 H new ATOM 0 HB3 LYS A 3 2.480 4.881 1.178 1.00 24.50 H new ATOM 0 HG2 LYS A 3 4.553 3.960 2.790 1.00 4.50 H new ATOM 0 HG3 LYS A 3 4.155 5.505 3.515 1.00 4.50 H new ATOM 0 HD2 LYS A 3 2.660 4.101 4.613 1.00 51.33 H new ATOM 0 HD3 LYS A 3 1.663 4.688 3.297 1.00 51.33 H new ATOM 0 HE2 LYS A 3 1.380 2.287 3.451 1.00 2.01 H new ATOM 0 HE3 LYS A 3 2.244 2.645 1.969 1.00 2.01 H new ATOM 0 HZ1 LYS A 3 3.088 0.779 3.518 1.00 72.25 H new ATOM 0 HZ2 LYS A 3 4.217 1.829 2.806 1.00 72.25 H new ATOM 0 HZ3 LYS A 3 3.764 2.043 4.428 1.00 72.25 H new ATOM 45 N THR A 4 6.907 4.647 0.479 1.00 11.05 N ATOM 46 CA THR A 4 8.278 4.938 0.878 1.00 21.45 C ATOM 47 C THR A 4 9.261 4.577 -0.229 1.00 42.34 C ATOM 48 O THR A 4 8.888 3.965 -1.230 1.00 35.11 O ATOM 49 CB THR A 4 8.664 4.175 2.160 1.00 70.32 C ATOM 50 OG1 THR A 4 8.401 2.777 1.996 1.00 73.23 O ATOM 51 CG2 THR A 4 7.891 4.704 3.358 1.00 1.23 C ATOM 0 H THR A 4 6.814 3.869 -0.174 1.00 11.05 H new ATOM 0 HA THR A 4 8.330 6.009 1.072 1.00 21.45 H new ATOM 0 HB THR A 4 9.729 4.326 2.339 1.00 70.32 H new ATOM 0 HG1 THR A 4 8.651 2.299 2.814 1.00 73.23 H new ATOM 0 HG21 THR A 4 8.180 4.150 4.251 1.00 1.23 H new ATOM 0 HG22 THR A 4 8.116 5.761 3.498 1.00 1.23 H new ATOM 0 HG23 THR A 4 6.822 4.580 3.185 1.00 1.23 H new ATOM 59 N VAL A 5 10.521 4.961 -0.045 1.00 34.55 N ATOM 60 CA VAL A 5 11.559 4.676 -1.028 1.00 75.11 C ATOM 61 C VAL A 5 12.632 3.763 -0.446 1.00 73.10 C ATOM 62 O VAL A 5 12.742 3.613 0.771 1.00 31.30 O ATOM 63 CB VAL A 5 12.221 5.971 -1.535 1.00 62.53 C ATOM 64 CG1 VAL A 5 11.166 6.970 -1.984 1.00 43.05 C ATOM 65 CG2 VAL A 5 13.111 6.570 -0.457 1.00 44.55 C ATOM 0 H VAL A 5 10.847 5.470 0.776 1.00 34.55 H new ATOM 0 HA VAL A 5 11.074 4.173 -1.864 1.00 75.11 H new ATOM 0 HB VAL A 5 12.845 5.728 -2.395 1.00 62.53 H new ATOM 0 HG11 VAL A 5 11.653 7.878 -2.339 1.00 43.05 H new ATOM 0 HG12 VAL A 5 10.574 6.537 -2.790 1.00 43.05 H new ATOM 0 HG13 VAL A 5 10.514 7.212 -1.145 1.00 43.05 H new ATOM 0 HG21 VAL A 5 13.571 7.484 -0.832 1.00 44.55 H new ATOM 0 HG22 VAL A 5 12.511 6.800 0.424 1.00 44.55 H new ATOM 0 HG23 VAL A 5 13.889 5.856 -0.189 1.00 44.55 H new ATOM 75 N LYS A 6 13.423 3.155 -1.323 1.00 74.44 N ATOM 76 CA LYS A 6 14.490 2.257 -0.898 1.00 71.32 C ATOM 77 C LYS A 6 15.838 2.719 -1.441 1.00 4.24 C ATOM 78 O LYS A 6 16.107 2.612 -2.638 1.00 2.41 O ATOM 79 CB LYS A 6 14.201 0.829 -1.369 1.00 3.41 C ATOM 80 CG LYS A 6 13.438 -0.003 -0.353 1.00 64.43 C ATOM 81 CD LYS A 6 13.420 -1.473 -0.739 1.00 35.14 C ATOM 82 CE LYS A 6 12.001 -1.969 -0.976 1.00 23.14 C ATOM 83 NZ LYS A 6 11.339 -2.382 0.293 1.00 61.44 N ATOM 0 H LYS A 6 13.345 3.268 -2.334 1.00 74.44 H new ATOM 0 HA LYS A 6 14.532 2.273 0.191 1.00 71.32 H new ATOM 0 HB2 LYS A 6 13.629 0.870 -2.296 1.00 3.41 H new ATOM 0 HB3 LYS A 6 15.144 0.333 -1.598 1.00 3.41 H new ATOM 0 HG2 LYS A 6 13.896 0.111 0.630 1.00 64.43 H new ATOM 0 HG3 LYS A 6 12.415 0.366 -0.273 1.00 64.43 H new ATOM 0 HD2 LYS A 6 14.014 -1.621 -1.641 1.00 35.14 H new ATOM 0 HD3 LYS A 6 13.886 -2.063 0.050 1.00 35.14 H new ATOM 0 HE2 LYS A 6 11.416 -1.182 -1.452 1.00 23.14 H new ATOM 0 HE3 LYS A 6 12.021 -2.812 -1.666 1.00 23.14 H new ATOM 0 HZ1 LYS A 6 10.375 -2.714 0.089 1.00 61.44 H new ATOM 0 HZ2 LYS A 6 11.883 -3.150 0.734 1.00 61.44 H new ATOM 0 HZ3 LYS A 6 11.296 -1.571 0.942 1.00 61.44 H new ATOM 97 N LEU A 7 16.684 3.232 -0.553 1.00 35.30 N ATOM 98 CA LEU A 7 18.006 3.709 -0.943 1.00 12.24 C ATOM 99 C LEU A 7 19.076 2.671 -0.621 1.00 2.21 C ATOM 100 O LEU A 7 19.091 2.097 0.468 1.00 4.23 O ATOM 101 CB LEU A 7 18.325 5.025 -0.230 1.00 72.15 C ATOM 102 CG LEU A 7 17.381 6.192 -0.522 1.00 34.12 C ATOM 103 CD1 LEU A 7 17.882 7.464 0.145 1.00 63.55 C ATOM 104 CD2 LEU A 7 17.233 6.396 -2.022 1.00 52.55 C ATOM 0 H LEU A 7 16.478 3.328 0.441 1.00 35.30 H new ATOM 0 HA LEU A 7 18.002 3.877 -2.020 1.00 12.24 H new ATOM 0 HB2 LEU A 7 18.323 4.843 0.845 1.00 72.15 H new ATOM 0 HB3 LEU A 7 19.337 5.326 -0.501 1.00 72.15 H new ATOM 0 HG LEU A 7 16.401 5.953 -0.110 1.00 34.12 H new ATOM 0 HD11 LEU A 7 17.198 8.284 -0.074 1.00 63.55 H new ATOM 0 HD12 LEU A 7 17.934 7.313 1.223 1.00 63.55 H new ATOM 0 HD13 LEU A 7 18.874 7.708 -0.236 1.00 63.55 H new ATOM 0 HD21 LEU A 7 16.558 7.231 -2.211 1.00 52.55 H new ATOM 0 HD22 LEU A 7 18.208 6.613 -2.458 1.00 52.55 H new ATOM 0 HD23 LEU A 7 16.827 5.491 -2.474 1.00 52.55 H new ATOM 116 N TYR A 8 19.971 2.437 -1.574 1.00 73.34 N ATOM 117 CA TYR A 8 21.045 1.468 -1.393 1.00 21.21 C ATOM 118 C TYR A 8 22.407 2.114 -1.629 1.00 71.31 C ATOM 119 O TYR A 8 22.533 3.051 -2.417 1.00 33.33 O ATOM 120 CB TYR A 8 20.858 0.284 -2.343 1.00 61.40 C ATOM 121 CG TYR A 8 19.627 -0.543 -2.046 1.00 4.23 C ATOM 122 CD1 TYR A 8 18.400 -0.226 -2.613 1.00 54.03 C ATOM 123 CD2 TYR A 8 19.693 -1.642 -1.197 1.00 51.55 C ATOM 124 CE1 TYR A 8 17.273 -0.978 -2.344 1.00 14.13 C ATOM 125 CE2 TYR A 8 18.571 -2.400 -0.923 1.00 63.13 C ATOM 126 CZ TYR A 8 17.364 -2.064 -1.498 1.00 75.04 C ATOM 127 OH TYR A 8 16.243 -2.816 -1.228 1.00 64.54 O ATOM 0 H TYR A 8 19.974 2.905 -2.480 1.00 73.34 H new ATOM 0 HA TYR A 8 21.007 1.109 -0.364 1.00 21.21 H new ATOM 0 HB2 TYR A 8 20.797 0.656 -3.366 1.00 61.40 H new ATOM 0 HB3 TYR A 8 21.738 -0.357 -2.289 1.00 61.40 H new ATOM 0 HD1 TYR A 8 18.325 0.623 -3.276 1.00 54.03 H new ATOM 0 HD2 TYR A 8 20.637 -1.907 -0.744 1.00 51.55 H new ATOM 0 HE1 TYR A 8 16.326 -0.717 -2.793 1.00 14.13 H new ATOM 0 HE2 TYR A 8 18.639 -3.251 -0.262 1.00 63.13 H new ATOM 0 HH TYR A 8 16.477 -3.544 -0.616 1.00 64.54 H new ATOM 137 N GLU A 9 23.424 1.604 -0.941 1.00 14.13 N ATOM 138 CA GLU A 9 24.777 2.131 -1.075 1.00 54.11 C ATOM 139 C GLU A 9 25.507 1.466 -2.238 1.00 75.15 C ATOM 140 O GLU A 9 26.567 1.924 -2.663 1.00 41.44 O ATOM 141 CB GLU A 9 25.561 1.920 0.221 1.00 22.34 C ATOM 142 CG GLU A 9 26.000 0.482 0.440 1.00 60.53 C ATOM 143 CD GLU A 9 25.726 -0.004 1.850 1.00 63.32 C ATOM 144 OE1 GLU A 9 25.637 0.843 2.763 1.00 63.31 O ATOM 145 OE2 GLU A 9 25.601 -1.232 2.040 1.00 71.34 O ATOM 0 H GLU A 9 23.337 0.827 -0.286 1.00 14.13 H new ATOM 0 HA GLU A 9 24.705 3.200 -1.277 1.00 54.11 H new ATOM 0 HB2 GLU A 9 26.442 2.562 0.212 1.00 22.34 H new ATOM 0 HB3 GLU A 9 24.945 2.235 1.063 1.00 22.34 H new ATOM 0 HG2 GLU A 9 25.483 -0.164 -0.270 1.00 60.53 H new ATOM 0 HG3 GLU A 9 27.066 0.396 0.231 1.00 60.53 H new ATOM 152 N ASP A 10 24.931 0.382 -2.748 1.00 41.40 N ATOM 153 CA ASP A 10 25.526 -0.347 -3.862 1.00 54.44 C ATOM 154 C ASP A 10 25.203 0.332 -5.190 1.00 14.21 C ATOM 155 O ASP A 10 24.697 1.455 -5.219 1.00 61.24 O ATOM 156 CB ASP A 10 25.025 -1.792 -3.879 1.00 51.32 C ATOM 157 CG ASP A 10 26.103 -2.773 -4.296 1.00 31.02 C ATOM 158 OD1 ASP A 10 26.981 -3.080 -3.462 1.00 12.20 O ATOM 159 OD2 ASP A 10 26.068 -3.235 -5.455 1.00 61.02 O ATOM 0 H ASP A 10 24.053 -0.011 -2.408 1.00 41.40 H new ATOM 0 HA ASP A 10 26.608 -0.347 -3.728 1.00 54.44 H new ATOM 0 HB2 ASP A 10 24.659 -2.058 -2.887 1.00 51.32 H new ATOM 0 HB3 ASP A 10 24.180 -1.873 -4.563 1.00 51.32 H new ATOM 164 N THR A 11 25.499 -0.356 -6.288 1.00 40.12 N ATOM 165 CA THR A 11 25.243 0.181 -7.619 1.00 33.23 C ATOM 166 C THR A 11 24.147 -0.607 -8.328 1.00 24.41 C ATOM 167 O THR A 11 24.266 -0.928 -9.511 1.00 10.10 O ATOM 168 CB THR A 11 26.515 0.164 -8.486 1.00 64.42 C ATOM 169 OG1 THR A 11 26.822 -1.179 -8.879 1.00 43.32 O ATOM 170 CG2 THR A 11 27.694 0.758 -7.730 1.00 31.12 C ATOM 0 H THR A 11 25.916 -1.287 -6.282 1.00 40.12 H new ATOM 0 HA THR A 11 24.917 1.213 -7.486 1.00 33.23 H new ATOM 0 HB THR A 11 26.331 0.769 -9.374 1.00 64.42 H new ATOM 0 HG1 THR A 11 26.145 -1.497 -9.512 1.00 43.32 H new ATOM 0 HG21 THR A 11 28.581 0.735 -8.363 1.00 31.12 H new ATOM 0 HG22 THR A 11 27.469 1.789 -7.458 1.00 31.12 H new ATOM 0 HG23 THR A 11 27.878 0.176 -6.827 1.00 31.12 H new ATOM 178 N HIS A 12 23.080 -0.917 -7.598 1.00 43.11 N ATOM 179 CA HIS A 12 21.962 -1.667 -8.159 1.00 22.23 C ATOM 180 C HIS A 12 20.862 -1.861 -7.119 1.00 43.02 C ATOM 181 O HIS A 12 19.832 -1.188 -7.158 1.00 72.41 O ATOM 182 CB HIS A 12 22.439 -3.026 -8.673 1.00 50.21 C ATOM 183 CG HIS A 12 22.485 -3.118 -10.167 1.00 44.12 C ATOM 184 ND1 HIS A 12 23.590 -3.566 -10.860 1.00 25.04 N ATOM 185 CD2 HIS A 12 21.554 -2.818 -11.102 1.00 53.11 C ATOM 186 CE1 HIS A 12 23.337 -3.536 -12.156 1.00 21.02 C ATOM 187 NE2 HIS A 12 22.107 -3.086 -12.330 1.00 25.33 N ATOM 0 H HIS A 12 22.966 -0.661 -6.617 1.00 43.11 H new ATOM 0 HA HIS A 12 21.554 -1.095 -8.992 1.00 22.23 H new ATOM 0 HB2 HIS A 12 23.433 -3.228 -8.274 1.00 50.21 H new ATOM 0 HB3 HIS A 12 21.778 -3.803 -8.289 1.00 50.21 H new ATOM 0 HD2 HIS A 12 20.560 -2.438 -10.917 1.00 53.11 H new ATOM 0 HE1 HIS A 12 24.019 -3.829 -12.940 1.00 21.02 H new ATOM 0 HE2 HIS A 12 21.644 -2.958 -13.230 1.00 25.33 H new ATOM 195 N PHE A 13 21.088 -2.785 -6.191 1.00 41.11 N ATOM 196 CA PHE A 13 20.116 -3.069 -5.142 1.00 54.52 C ATOM 197 C PHE A 13 20.753 -3.873 -4.013 1.00 12.33 C ATOM 198 O PHE A 13 20.074 -4.617 -3.305 1.00 30.10 O ATOM 199 CB PHE A 13 18.922 -3.833 -5.717 1.00 72.44 C ATOM 200 CG PHE A 13 19.315 -4.986 -6.596 1.00 44.04 C ATOM 201 CD1 PHE A 13 19.755 -6.178 -6.043 1.00 43.32 C ATOM 202 CD2 PHE A 13 19.246 -4.877 -7.976 1.00 22.40 C ATOM 203 CE1 PHE A 13 20.118 -7.240 -6.849 1.00 71.42 C ATOM 204 CE2 PHE A 13 19.607 -5.937 -8.787 1.00 1.31 C ATOM 205 CZ PHE A 13 20.045 -7.119 -8.223 1.00 34.20 C ATOM 0 H PHE A 13 21.936 -3.350 -6.144 1.00 41.11 H new ATOM 0 HA PHE A 13 19.769 -2.119 -4.736 1.00 54.52 H new ATOM 0 HB2 PHE A 13 18.309 -4.205 -4.896 1.00 72.44 H new ATOM 0 HB3 PHE A 13 18.302 -3.144 -6.291 1.00 72.44 H new ATOM 0 HD1 PHE A 13 19.815 -6.278 -4.969 1.00 43.32 H new ATOM 0 HD2 PHE A 13 18.907 -3.954 -8.423 1.00 22.40 H new ATOM 0 HE1 PHE A 13 20.458 -8.164 -6.405 1.00 71.42 H new ATOM 0 HE2 PHE A 13 19.546 -5.841 -9.861 1.00 1.31 H new ATOM 0 HZ PHE A 13 20.330 -7.947 -8.855 1.00 34.20 H new ATOM 215 N LYS A 14 22.062 -3.718 -3.850 1.00 44.41 N ATOM 216 CA LYS A 14 22.794 -4.427 -2.807 1.00 73.43 C ATOM 217 C LYS A 14 23.087 -3.508 -1.626 1.00 44.45 C ATOM 218 O LYS A 14 22.718 -2.334 -1.634 1.00 63.05 O ATOM 219 CB LYS A 14 24.102 -4.991 -3.366 1.00 42.45 C ATOM 220 CG LYS A 14 24.071 -6.492 -3.592 1.00 73.40 C ATOM 221 CD LYS A 14 24.164 -7.255 -2.281 1.00 71.23 C ATOM 222 CE LYS A 14 22.790 -7.677 -1.783 1.00 2.33 C ATOM 223 NZ LYS A 14 22.820 -9.022 -1.144 1.00 44.33 N ATOM 0 H LYS A 14 22.639 -3.107 -4.428 1.00 44.41 H new ATOM 0 HA LYS A 14 22.171 -5.250 -2.457 1.00 73.43 H new ATOM 0 HB2 LYS A 14 24.328 -4.495 -4.310 1.00 42.45 H new ATOM 0 HB3 LYS A 14 24.914 -4.752 -2.679 1.00 42.45 H new ATOM 0 HG2 LYS A 14 23.150 -6.764 -4.108 1.00 73.40 H new ATOM 0 HG3 LYS A 14 24.898 -6.780 -4.241 1.00 73.40 H new ATOM 0 HD2 LYS A 14 24.790 -8.137 -2.416 1.00 71.23 H new ATOM 0 HD3 LYS A 14 24.649 -6.632 -1.530 1.00 71.23 H new ATOM 0 HE2 LYS A 14 22.422 -6.943 -1.066 1.00 2.33 H new ATOM 0 HE3 LYS A 14 22.089 -7.687 -2.617 1.00 2.33 H new ATOM 0 HZ1 LYS A 14 21.865 -9.273 -0.818 1.00 44.33 H new ATOM 0 HZ2 LYS A 14 23.147 -9.727 -1.835 1.00 44.33 H new ATOM 0 HZ3 LYS A 14 23.470 -9.006 -0.332 1.00 44.33 H new ATOM 237 N GLY A 15 23.756 -4.049 -0.612 1.00 54.32 N ATOM 238 CA GLY A 15 24.089 -3.262 0.561 1.00 54.22 C ATOM 239 C GLY A 15 22.902 -3.067 1.484 1.00 24.12 C ATOM 240 O GLY A 15 21.862 -3.702 1.311 1.00 14.25 O ATOM 0 H GLY A 15 24.073 -5.018 -0.582 1.00 54.32 H new ATOM 0 HA2 GLY A 15 24.894 -3.753 1.108 1.00 54.22 H new ATOM 0 HA3 GLY A 15 24.465 -2.288 0.247 1.00 54.22 H new ATOM 244 N TYR A 16 23.059 -2.189 2.468 1.00 11.24 N ATOM 245 CA TYR A 16 21.993 -1.915 3.425 1.00 25.44 C ATOM 246 C TYR A 16 20.973 -0.943 2.842 1.00 72.45 C ATOM 247 O TYR A 16 21.331 0.118 2.331 1.00 11.14 O ATOM 248 CB TYR A 16 22.576 -1.344 4.719 1.00 32.45 C ATOM 249 CG TYR A 16 21.642 -1.452 5.903 1.00 35.43 C ATOM 250 CD1 TYR A 16 20.713 -0.455 6.175 1.00 45.35 C ATOM 251 CD2 TYR A 16 21.686 -2.553 6.750 1.00 23.13 C ATOM 252 CE1 TYR A 16 19.859 -0.549 7.255 1.00 34.05 C ATOM 253 CE2 TYR A 16 20.834 -2.657 7.833 1.00 43.42 C ATOM 254 CZ TYR A 16 19.923 -1.652 8.082 1.00 54.25 C ATOM 255 OH TYR A 16 19.072 -1.750 9.159 1.00 72.25 O ATOM 0 H TYR A 16 23.914 -1.655 2.624 1.00 11.24 H new ATOM 0 HA TYR A 16 21.487 -2.855 3.645 1.00 25.44 H new ATOM 0 HB2 TYR A 16 23.505 -1.866 4.951 1.00 32.45 H new ATOM 0 HB3 TYR A 16 22.830 -0.296 4.562 1.00 32.45 H new ATOM 0 HD1 TYR A 16 20.658 0.409 5.529 1.00 45.35 H new ATOM 0 HD2 TYR A 16 22.399 -3.341 6.558 1.00 23.13 H new ATOM 0 HE1 TYR A 16 19.144 0.236 7.452 1.00 34.05 H new ATOM 0 HE2 TYR A 16 20.881 -3.520 8.480 1.00 43.42 H new ATOM 0 HH TYR A 16 19.246 -2.587 9.638 1.00 72.25 H new ATOM 265 N SER A 17 19.699 -1.315 2.921 1.00 10.31 N ATOM 266 CA SER A 17 18.625 -0.478 2.398 1.00 31.32 C ATOM 267 C SER A 17 18.117 0.485 3.467 1.00 71.40 C ATOM 268 O SER A 17 18.025 0.133 4.643 1.00 20.31 O ATOM 269 CB SER A 17 17.473 -1.348 1.891 1.00 65.53 C ATOM 270 OG SER A 17 17.837 -2.718 1.876 1.00 22.03 O ATOM 0 H SER A 17 19.386 -2.190 3.342 1.00 10.31 H new ATOM 0 HA SER A 17 19.024 0.105 1.568 1.00 31.32 H new ATOM 0 HB2 SER A 17 16.599 -1.207 2.528 1.00 65.53 H new ATOM 0 HB3 SER A 17 17.190 -1.033 0.887 1.00 65.53 H new ATOM 0 HG SER A 17 17.883 -3.034 0.950 1.00 22.03 H new ATOM 276 N VAL A 18 17.788 1.703 3.049 1.00 71.21 N ATOM 277 CA VAL A 18 17.288 2.718 3.969 1.00 71.34 C ATOM 278 C VAL A 18 16.045 3.402 3.410 1.00 64.35 C ATOM 279 O VAL A 18 16.040 3.864 2.269 1.00 31.31 O ATOM 280 CB VAL A 18 18.359 3.784 4.263 1.00 0.54 C ATOM 281 CG1 VAL A 18 17.805 4.855 5.191 1.00 42.42 C ATOM 282 CG2 VAL A 18 19.601 3.141 4.861 1.00 63.24 C ATOM 0 H VAL A 18 17.859 2.011 2.079 1.00 71.21 H new ATOM 0 HA VAL A 18 17.031 2.206 4.896 1.00 71.34 H new ATOM 0 HB VAL A 18 18.640 4.260 3.324 1.00 0.54 H new ATOM 0 HG11 VAL A 18 18.576 5.600 5.388 1.00 42.42 H new ATOM 0 HG12 VAL A 18 16.947 5.336 4.721 1.00 42.42 H new ATOM 0 HG13 VAL A 18 17.494 4.397 6.130 1.00 42.42 H new ATOM 0 HG21 VAL A 18 20.347 3.909 5.062 1.00 63.24 H new ATOM 0 HG22 VAL A 18 19.338 2.638 5.791 1.00 63.24 H new ATOM 0 HG23 VAL A 18 20.009 2.414 4.158 1.00 63.24 H new ATOM 292 N GLU A 19 14.994 3.463 4.221 1.00 23.22 N ATOM 293 CA GLU A 19 13.745 4.091 3.807 1.00 63.45 C ATOM 294 C GLU A 19 13.610 5.485 4.412 1.00 33.45 C ATOM 295 O GLU A 19 14.049 5.731 5.537 1.00 70.24 O ATOM 296 CB GLU A 19 12.552 3.225 4.218 1.00 4.43 C ATOM 297 CG GLU A 19 12.435 3.026 5.720 1.00 72.21 C ATOM 298 CD GLU A 19 13.181 1.798 6.205 1.00 14.05 C ATOM 299 OE1 GLU A 19 12.941 0.703 5.655 1.00 61.12 O ATOM 300 OE2 GLU A 19 14.003 1.932 7.135 1.00 31.15 O ATOM 0 H GLU A 19 14.982 3.085 5.168 1.00 23.22 H new ATOM 0 HA GLU A 19 13.758 4.186 2.721 1.00 63.45 H new ATOM 0 HB2 GLU A 19 11.635 3.684 3.848 1.00 4.43 H new ATOM 0 HB3 GLU A 19 12.637 2.251 3.736 1.00 4.43 H new ATOM 0 HG2 GLU A 19 12.823 3.907 6.231 1.00 72.21 H new ATOM 0 HG3 GLU A 19 11.383 2.938 5.990 1.00 72.21 H new ATOM 307 N LEU A 20 12.999 6.393 3.660 1.00 44.41 N ATOM 308 CA LEU A 20 12.806 7.764 4.121 1.00 33.33 C ATOM 309 C LEU A 20 11.501 8.341 3.581 1.00 64.03 C ATOM 310 O LEU A 20 11.414 8.771 2.431 1.00 51.35 O ATOM 311 CB LEU A 20 13.983 8.640 3.688 1.00 35.33 C ATOM 312 CG LEU A 20 14.874 8.069 2.585 1.00 21.31 C ATOM 313 CD1 LEU A 20 15.543 9.190 1.805 1.00 12.13 C ATOM 314 CD2 LEU A 20 15.917 7.131 3.174 1.00 23.34 C ATOM 0 H LEU A 20 12.629 6.205 2.728 1.00 44.41 H new ATOM 0 HA LEU A 20 12.753 7.751 5.210 1.00 33.33 H new ATOM 0 HB2 LEU A 20 13.591 9.600 3.351 1.00 35.33 H new ATOM 0 HB3 LEU A 20 14.603 8.839 4.562 1.00 35.33 H new ATOM 0 HG LEU A 20 14.248 7.499 1.898 1.00 21.31 H new ATOM 0 HD11 LEU A 20 16.173 8.764 1.024 1.00 12.13 H new ATOM 0 HD12 LEU A 20 14.780 9.823 1.351 1.00 12.13 H new ATOM 0 HD13 LEU A 20 16.156 9.788 2.480 1.00 12.13 H new ATOM 0 HD21 LEU A 20 16.542 6.734 2.374 1.00 23.34 H new ATOM 0 HD22 LEU A 20 16.539 7.677 3.883 1.00 23.34 H new ATOM 0 HD23 LEU A 20 15.418 6.309 3.687 1.00 23.34 H new ATOM 326 N PRO A 21 10.463 8.353 4.429 1.00 12.34 N ATOM 327 CA PRO A 21 9.145 8.878 4.060 1.00 72.11 C ATOM 328 C PRO A 21 9.151 10.393 3.891 1.00 54.42 C ATOM 329 O PRO A 21 10.160 11.052 4.140 1.00 3.14 O ATOM 330 CB PRO A 21 8.259 8.475 5.241 1.00 13.24 C ATOM 331 CG PRO A 21 9.196 8.348 6.392 1.00 64.10 C ATOM 332 CD PRO A 21 10.495 7.857 5.815 1.00 23.43 C ATOM 0 HA PRO A 21 8.804 8.487 3.101 1.00 72.11 H new ATOM 0 HB2 PRO A 21 7.493 9.226 5.435 1.00 13.24 H new ATOM 0 HB3 PRO A 21 7.742 7.535 5.046 1.00 13.24 H new ATOM 0 HG2 PRO A 21 9.329 9.306 6.894 1.00 64.10 H new ATOM 0 HG3 PRO A 21 8.810 7.650 7.135 1.00 64.10 H new ATOM 0 HD2 PRO A 21 11.352 8.250 6.363 1.00 23.43 H new ATOM 0 HD3 PRO A 21 10.565 6.770 5.851 1.00 23.43 H new ATOM 340 N VAL A 22 8.017 10.941 3.466 1.00 54.24 N ATOM 341 CA VAL A 22 7.891 12.380 3.265 1.00 72.23 C ATOM 342 C VAL A 22 8.638 13.153 4.345 1.00 2.12 C ATOM 343 O VAL A 22 8.293 13.084 5.524 1.00 22.21 O ATOM 344 CB VAL A 22 6.415 12.819 3.262 1.00 14.34 C ATOM 345 CG1 VAL A 22 5.706 12.319 4.512 1.00 63.40 C ATOM 346 CG2 VAL A 22 6.310 14.333 3.151 1.00 72.24 C ATOM 0 H VAL A 22 7.172 10.410 3.254 1.00 54.24 H new ATOM 0 HA VAL A 22 8.331 12.604 2.293 1.00 72.23 H new ATOM 0 HB VAL A 22 5.925 12.378 2.394 1.00 14.34 H new ATOM 0 HG11 VAL A 22 4.664 12.639 4.492 1.00 63.40 H new ATOM 0 HG12 VAL A 22 5.751 11.230 4.545 1.00 63.40 H new ATOM 0 HG13 VAL A 22 6.195 12.729 5.396 1.00 63.40 H new ATOM 0 HG21 VAL A 22 5.260 14.626 3.150 1.00 72.24 H new ATOM 0 HG22 VAL A 22 6.815 14.796 3.999 1.00 72.24 H new ATOM 0 HG23 VAL A 22 6.779 14.663 2.224 1.00 72.24 H new ATOM 356 N GLY A 23 9.665 13.891 3.934 1.00 2.13 N ATOM 357 CA GLY A 23 10.446 14.668 4.880 1.00 72.34 C ATOM 358 C GLY A 23 11.843 14.965 4.372 1.00 54.23 C ATOM 359 O GLY A 23 12.222 14.528 3.285 1.00 33.32 O ATOM 0 H GLY A 23 9.970 13.965 2.964 1.00 2.13 H new ATOM 0 HA2 GLY A 23 9.931 15.606 5.088 1.00 72.34 H new ATOM 0 HA3 GLY A 23 10.513 14.126 5.823 1.00 72.34 H new ATOM 363 N ASP A 24 12.610 15.712 5.158 1.00 15.41 N ATOM 364 CA ASP A 24 13.973 16.069 4.782 1.00 74.23 C ATOM 365 C ASP A 24 14.976 15.521 5.792 1.00 0.51 C ATOM 366 O ASP A 24 14.716 15.507 6.995 1.00 12.54 O ATOM 367 CB ASP A 24 14.114 17.588 4.675 1.00 23.02 C ATOM 368 CG ASP A 24 13.094 18.325 5.520 1.00 51.31 C ATOM 369 OD1 ASP A 24 12.983 18.012 6.724 1.00 15.40 O ATOM 370 OD2 ASP A 24 12.407 19.216 4.977 1.00 23.22 O ATOM 0 H ASP A 24 12.311 16.082 6.060 1.00 15.41 H new ATOM 0 HA ASP A 24 14.184 15.624 3.810 1.00 74.23 H new ATOM 0 HB2 ASP A 24 15.117 17.880 4.985 1.00 23.02 H new ATOM 0 HB3 ASP A 24 14.003 17.888 3.633 1.00 23.02 H new ATOM 375 N TYR A 25 16.122 15.071 5.295 1.00 63.22 N ATOM 376 CA TYR A 25 17.164 14.519 6.153 1.00 35.14 C ATOM 377 C TYR A 25 18.512 15.169 5.861 1.00 64.25 C ATOM 378 O TYR A 25 18.935 15.255 4.708 1.00 11.55 O ATOM 379 CB TYR A 25 17.262 13.005 5.962 1.00 21.51 C ATOM 380 CG TYR A 25 15.919 12.317 5.869 1.00 54.20 C ATOM 381 CD1 TYR A 25 15.152 12.400 4.713 1.00 2.12 C ATOM 382 CD2 TYR A 25 15.416 11.584 6.937 1.00 62.20 C ATOM 383 CE1 TYR A 25 13.924 11.774 4.624 1.00 11.33 C ATOM 384 CE2 TYR A 25 14.190 10.953 6.856 1.00 15.54 C ATOM 385 CZ TYR A 25 13.447 11.052 5.698 1.00 10.13 C ATOM 386 OH TYR A 25 12.225 10.426 5.613 1.00 15.01 O ATOM 0 H TYR A 25 16.354 15.077 4.302 1.00 63.22 H new ATOM 0 HA TYR A 25 16.897 14.731 7.188 1.00 35.14 H new ATOM 0 HB2 TYR A 25 17.830 12.798 5.055 1.00 21.51 H new ATOM 0 HB3 TYR A 25 17.822 12.578 6.794 1.00 21.51 H new ATOM 0 HD1 TYR A 25 15.523 12.964 3.870 1.00 2.12 H new ATOM 0 HD2 TYR A 25 15.994 11.506 7.846 1.00 62.20 H new ATOM 0 HE1 TYR A 25 13.340 11.849 3.718 1.00 11.33 H new ATOM 0 HE2 TYR A 25 13.815 10.385 7.695 1.00 15.54 H new ATOM 0 HH TYR A 25 11.647 10.920 4.994 1.00 15.01 H new ATOM 396 N ASN A 26 19.184 15.624 6.914 1.00 72.44 N ATOM 397 CA ASN A 26 20.485 16.266 6.771 1.00 23.10 C ATOM 398 C ASN A 26 21.611 15.239 6.856 1.00 52.30 C ATOM 399 O ASN A 26 21.368 14.032 6.833 1.00 33.12 O ATOM 400 CB ASN A 26 20.671 17.334 7.851 1.00 64.31 C ATOM 401 CG ASN A 26 19.407 18.135 8.095 1.00 5.41 C ATOM 402 OD1 ASN A 26 18.457 17.646 8.706 1.00 2.21 O ATOM 403 ND2 ASN A 26 19.391 19.374 7.617 1.00 41.20 N ATOM 0 H ASN A 26 18.849 15.560 7.875 1.00 72.44 H new ATOM 0 HA ASN A 26 20.523 16.740 5.790 1.00 23.10 H new ATOM 0 HB2 ASN A 26 20.981 16.857 8.781 1.00 64.31 H new ATOM 0 HB3 ASN A 26 21.475 18.009 7.556 1.00 64.31 H new ATOM 0 HD21 ASN A 26 18.568 19.962 7.750 1.00 41.20 H new ATOM 0 HD22 ASN A 26 20.202 19.738 7.116 1.00 41.20 H new ATOM 410 N LEU A 27 22.842 15.727 6.955 1.00 65.15 N ATOM 411 CA LEU A 27 24.007 14.852 7.044 1.00 53.32 C ATOM 412 C LEU A 27 23.912 13.942 8.264 1.00 13.22 C ATOM 413 O LEU A 27 24.121 12.733 8.167 1.00 2.10 O ATOM 414 CB LEU A 27 25.289 15.683 7.112 1.00 43.23 C ATOM 415 CG LEU A 27 26.529 14.961 7.640 1.00 45.41 C ATOM 416 CD1 LEU A 27 27.758 15.349 6.831 1.00 74.42 C ATOM 417 CD2 LEU A 27 26.740 15.273 9.114 1.00 21.55 C ATOM 0 H LEU A 27 23.060 16.723 6.976 1.00 65.15 H new ATOM 0 HA LEU A 27 24.032 14.229 6.150 1.00 53.32 H new ATOM 0 HB2 LEU A 27 25.509 16.057 6.112 1.00 43.23 H new ATOM 0 HB3 LEU A 27 25.102 16.552 7.744 1.00 43.23 H new ATOM 0 HG LEU A 27 26.373 13.887 7.534 1.00 45.41 H new ATOM 0 HD11 LEU A 27 28.631 14.825 7.221 1.00 74.42 H new ATOM 0 HD12 LEU A 27 27.608 15.075 5.787 1.00 74.42 H new ATOM 0 HD13 LEU A 27 27.917 16.425 6.905 1.00 74.42 H new ATOM 0 HD21 LEU A 27 27.627 14.751 9.473 1.00 21.55 H new ATOM 0 HD22 LEU A 27 26.874 16.347 9.243 1.00 21.55 H new ATOM 0 HD23 LEU A 27 25.870 14.945 9.683 1.00 21.55 H new ATOM 429 N SER A 28 23.593 14.531 9.412 1.00 15.41 N ATOM 430 CA SER A 28 23.471 13.774 10.652 1.00 0.02 C ATOM 431 C SER A 28 22.241 12.871 10.619 1.00 4.42 C ATOM 432 O SER A 28 22.198 11.838 11.286 1.00 23.15 O ATOM 433 CB SER A 28 23.389 14.724 11.849 1.00 75.13 C ATOM 434 OG SER A 28 24.478 14.526 12.733 1.00 42.22 O ATOM 0 H SER A 28 23.414 15.531 9.509 1.00 15.41 H new ATOM 0 HA SER A 28 24.357 13.148 10.755 1.00 0.02 H new ATOM 0 HB2 SER A 28 23.384 15.756 11.498 1.00 75.13 H new ATOM 0 HB3 SER A 28 22.451 14.564 12.381 1.00 75.13 H new ATOM 0 HG SER A 28 24.403 15.146 13.488 1.00 42.22 H new ATOM 440 N SER A 29 21.243 13.270 9.838 1.00 41.34 N ATOM 441 CA SER A 29 20.010 12.501 9.719 1.00 23.44 C ATOM 442 C SER A 29 20.213 11.285 8.820 1.00 53.45 C ATOM 443 O SER A 29 19.548 10.261 8.981 1.00 61.11 O ATOM 444 CB SER A 29 18.887 13.379 9.165 1.00 70.33 C ATOM 445 OG SER A 29 17.617 12.804 9.419 1.00 21.34 O ATOM 0 H SER A 29 21.264 14.122 9.278 1.00 41.34 H new ATOM 0 HA SER A 29 19.731 12.153 10.713 1.00 23.44 H new ATOM 0 HB2 SER A 29 18.938 14.369 9.618 1.00 70.33 H new ATOM 0 HB3 SER A 29 19.021 13.512 8.092 1.00 70.33 H new ATOM 0 HG SER A 29 16.916 13.385 9.056 1.00 21.34 H new ATOM 451 N LEU A 30 21.135 11.407 7.871 1.00 31.31 N ATOM 452 CA LEU A 30 21.427 10.319 6.944 1.00 74.11 C ATOM 453 C LEU A 30 21.944 9.092 7.689 1.00 50.53 C ATOM 454 O LEU A 30 21.420 7.990 7.528 1.00 31.21 O ATOM 455 CB LEU A 30 22.455 10.770 5.905 1.00 74.12 C ATOM 456 CG LEU A 30 21.888 11.310 4.591 1.00 5.21 C ATOM 457 CD1 LEU A 30 22.835 12.334 3.983 1.00 34.11 C ATOM 458 CD2 LEU A 30 21.631 10.173 3.614 1.00 73.23 C ATOM 0 H LEU A 30 21.693 12.248 7.723 1.00 31.31 H new ATOM 0 HA LEU A 30 20.501 10.049 6.436 1.00 74.11 H new ATOM 0 HB2 LEU A 30 23.080 11.543 6.353 1.00 74.12 H new ATOM 0 HB3 LEU A 30 23.106 9.926 5.677 1.00 74.12 H new ATOM 0 HG LEU A 30 20.939 11.803 4.802 1.00 5.21 H new ATOM 0 HD11 LEU A 30 22.416 12.708 3.049 1.00 34.11 H new ATOM 0 HD12 LEU A 30 22.969 13.163 4.678 1.00 34.11 H new ATOM 0 HD13 LEU A 30 23.799 11.866 3.786 1.00 34.11 H new ATOM 0 HD21 LEU A 30 21.228 10.576 2.685 1.00 73.23 H new ATOM 0 HD22 LEU A 30 22.566 9.652 3.408 1.00 73.23 H new ATOM 0 HD23 LEU A 30 20.915 9.475 4.048 1.00 73.23 H new ATOM 470 N ILE A 31 22.973 9.293 8.505 1.00 63.13 N ATOM 471 CA ILE A 31 23.559 8.204 9.277 1.00 53.02 C ATOM 472 C ILE A 31 22.595 7.711 10.351 1.00 52.42 C ATOM 473 O ILE A 31 22.649 6.553 10.764 1.00 1.21 O ATOM 474 CB ILE A 31 24.878 8.634 9.945 1.00 21.40 C ATOM 475 CG1 ILE A 31 25.912 9.015 8.884 1.00 41.33 C ATOM 476 CG2 ILE A 31 25.410 7.519 10.833 1.00 34.42 C ATOM 477 CD1 ILE A 31 25.904 10.487 8.534 1.00 73.14 C ATOM 0 H ILE A 31 23.418 10.199 8.649 1.00 63.13 H new ATOM 0 HA ILE A 31 23.763 7.394 8.576 1.00 53.02 H new ATOM 0 HB ILE A 31 24.685 9.508 10.568 1.00 21.40 H new ATOM 0 HG12 ILE A 31 26.905 8.740 9.240 1.00 41.33 H new ATOM 0 HG13 ILE A 31 25.725 8.434 7.981 1.00 41.33 H new ATOM 0 HG21 ILE A 31 26.343 7.838 11.298 1.00 34.42 H new ATOM 0 HG22 ILE A 31 24.678 7.290 11.607 1.00 34.42 H new ATOM 0 HG23 ILE A 31 25.591 6.629 10.230 1.00 34.42 H new ATOM 0 HD11 ILE A 31 26.662 10.685 7.776 1.00 73.14 H new ATOM 0 HD12 ILE A 31 24.923 10.764 8.147 1.00 73.14 H new ATOM 0 HD13 ILE A 31 26.121 11.074 9.426 1.00 73.14 H new ATOM 489 N SER A 32 21.712 8.599 10.798 1.00 73.44 N ATOM 490 CA SER A 32 20.736 8.255 11.825 1.00 31.03 C ATOM 491 C SER A 32 19.905 7.047 11.403 1.00 13.32 C ATOM 492 O SER A 32 19.378 6.318 12.244 1.00 62.03 O ATOM 493 CB SER A 32 19.819 9.447 12.106 1.00 34.34 C ATOM 494 OG SER A 32 18.618 9.353 11.360 1.00 52.13 O ATOM 0 H SER A 32 21.653 9.561 10.465 1.00 73.44 H new ATOM 0 HA SER A 32 21.278 8.000 12.736 1.00 31.03 H new ATOM 0 HB2 SER A 32 19.587 9.489 13.170 1.00 34.34 H new ATOM 0 HB3 SER A 32 20.335 10.374 11.855 1.00 34.34 H new ATOM 0 HG SER A 32 18.783 9.640 10.437 1.00 52.13 H new ATOM 500 N ARG A 33 19.792 6.843 10.095 1.00 73.12 N ATOM 501 CA ARG A 33 19.024 5.725 9.560 1.00 51.03 C ATOM 502 C ARG A 33 19.945 4.686 8.926 1.00 1.53 C ATOM 503 O ARG A 33 19.515 3.881 8.102 1.00 21.53 O ATOM 504 CB ARG A 33 18.012 6.222 8.526 1.00 14.32 C ATOM 505 CG ARG A 33 17.023 7.235 9.080 1.00 31.04 C ATOM 506 CD ARG A 33 16.062 7.721 8.006 1.00 21.24 C ATOM 507 NE ARG A 33 14.684 7.772 8.487 1.00 1.35 N ATOM 508 CZ ARG A 33 13.912 6.700 8.622 1.00 70.24 C ATOM 509 NH1 ARG A 33 14.381 5.499 8.313 1.00 73.41 N ATOM 510 NH2 ARG A 33 12.668 6.828 9.066 1.00 62.41 N ATOM 0 H ARG A 33 20.222 7.437 9.386 1.00 73.12 H new ATOM 0 HA ARG A 33 18.489 5.256 10.386 1.00 51.03 H new ATOM 0 HB2 ARG A 33 18.549 6.671 7.691 1.00 14.32 H new ATOM 0 HB3 ARG A 33 17.462 5.369 8.129 1.00 14.32 H new ATOM 0 HG2 ARG A 33 16.459 6.785 9.897 1.00 31.04 H new ATOM 0 HG3 ARG A 33 17.565 8.084 9.496 1.00 31.04 H new ATOM 0 HD2 ARG A 33 16.365 8.712 7.670 1.00 21.24 H new ATOM 0 HD3 ARG A 33 16.120 7.060 7.142 1.00 21.24 H new ATOM 0 HE ARG A 33 14.293 8.681 8.733 1.00 1.35 H new ATOM 0 HH11 ARG A 33 15.336 5.397 7.971 1.00 73.41 H new ATOM 0 HH12 ARG A 33 13.786 4.677 8.417 1.00 73.41 H new ATOM 0 HH21 ARG A 33 12.304 7.751 9.304 1.00 62.41 H new ATOM 0 HH22 ARG A 33 12.076 6.004 9.169 1.00 62.41 H new ATOM 524 N GLY A 34 21.216 4.713 9.317 1.00 32.24 N ATOM 525 CA GLY A 34 22.178 3.770 8.778 1.00 73.33 C ATOM 526 C GLY A 34 22.569 4.094 7.349 1.00 34.34 C ATOM 527 O GLY A 34 22.705 3.197 6.518 1.00 52.25 O ATOM 0 H GLY A 34 21.596 5.371 9.997 1.00 32.24 H new ATOM 0 HA2 GLY A 34 23.070 3.768 9.404 1.00 73.33 H new ATOM 0 HA3 GLY A 34 21.758 2.765 8.818 1.00 73.33 H new ATOM 531 N ALA A 35 22.748 5.379 7.064 1.00 41.22 N ATOM 532 CA ALA A 35 23.126 5.819 5.727 1.00 52.15 C ATOM 533 C ALA A 35 24.256 6.841 5.784 1.00 50.34 C ATOM 534 O ALA A 35 24.111 7.909 6.380 1.00 45.30 O ATOM 535 CB ALA A 35 21.921 6.402 5.003 1.00 71.55 C ATOM 0 H ALA A 35 22.637 6.134 7.741 1.00 41.22 H new ATOM 0 HA ALA A 35 23.484 4.951 5.174 1.00 52.15 H new ATOM 0 HB1 ALA A 35 22.218 6.727 4.006 1.00 71.55 H new ATOM 0 HB2 ALA A 35 21.143 5.643 4.921 1.00 71.55 H new ATOM 0 HB3 ALA A 35 21.538 7.255 5.563 1.00 71.55 H new ATOM 541 N LEU A 36 25.381 6.508 5.161 1.00 70.41 N ATOM 542 CA LEU A 36 26.537 7.397 5.141 1.00 23.23 C ATOM 543 C LEU A 36 26.365 8.492 4.093 1.00 33.43 C ATOM 544 O LEU A 36 25.877 8.239 2.992 1.00 5.14 O ATOM 545 CB LEU A 36 27.813 6.601 4.859 1.00 73.13 C ATOM 546 CG LEU A 36 28.972 6.823 5.831 1.00 51.32 C ATOM 547 CD1 LEU A 36 29.440 8.269 5.781 1.00 4.22 C ATOM 548 CD2 LEU A 36 28.562 6.442 7.246 1.00 71.22 C ATOM 0 H LEU A 36 25.517 5.628 4.663 1.00 70.41 H new ATOM 0 HA LEU A 36 26.619 7.868 6.121 1.00 23.23 H new ATOM 0 HB2 LEU A 36 27.563 5.540 4.860 1.00 73.13 H new ATOM 0 HB3 LEU A 36 28.156 6.847 3.854 1.00 73.13 H new ATOM 0 HG LEU A 36 29.801 6.183 5.530 1.00 51.32 H new ATOM 0 HD11 LEU A 36 30.265 8.409 6.479 1.00 4.22 H new ATOM 0 HD12 LEU A 36 29.774 8.509 4.772 1.00 4.22 H new ATOM 0 HD13 LEU A 36 28.616 8.928 6.056 1.00 4.22 H new ATOM 0 HD21 LEU A 36 29.399 6.606 7.924 1.00 71.22 H new ATOM 0 HD22 LEU A 36 27.717 7.056 7.558 1.00 71.22 H new ATOM 0 HD23 LEU A 36 28.276 5.391 7.271 1.00 71.22 H new ATOM 560 N ASN A 37 26.770 9.708 4.444 1.00 52.04 N ATOM 561 CA ASN A 37 26.661 10.842 3.532 1.00 24.53 C ATOM 562 C ASN A 37 27.285 10.513 2.179 1.00 1.32 C ATOM 563 O ASN A 37 26.618 10.573 1.146 1.00 44.11 O ATOM 564 CB ASN A 37 27.341 12.073 4.134 1.00 12.22 C ATOM 565 CG ASN A 37 26.987 12.272 5.595 1.00 4.25 C ATOM 566 OD1 ASN A 37 27.864 12.480 6.435 1.00 73.12 O ATOM 567 ND2 ASN A 37 25.698 12.209 5.906 1.00 12.20 N ATOM 0 H ASN A 37 27.176 9.934 5.352 1.00 52.04 H new ATOM 0 HA ASN A 37 25.603 11.056 3.382 1.00 24.53 H new ATOM 0 HB2 ASN A 37 28.422 11.972 4.035 1.00 12.22 H new ATOM 0 HB3 ASN A 37 27.050 12.958 3.569 1.00 12.22 H new ATOM 0 HD21 ASN A 37 25.400 12.335 6.873 1.00 12.20 H new ATOM 0 HD22 ASN A 37 25.006 12.035 5.178 1.00 12.20 H new ATOM 574 N ASP A 38 28.567 10.166 2.194 1.00 42.03 N ATOM 575 CA ASP A 38 29.281 9.826 0.968 1.00 3.34 C ATOM 576 C ASP A 38 29.426 8.314 0.825 1.00 55.41 C ATOM 577 O ASP A 38 30.403 7.727 1.288 1.00 4.45 O ATOM 578 CB ASP A 38 30.661 10.486 0.957 1.00 1.12 C ATOM 579 CG ASP A 38 30.638 11.886 1.538 1.00 1.22 C ATOM 580 OD1 ASP A 38 29.613 12.580 1.374 1.00 53.30 O ATOM 581 OD2 ASP A 38 31.645 12.288 2.158 1.00 70.51 O ATOM 0 H ASP A 38 29.133 10.113 3.041 1.00 42.03 H new ATOM 0 HA ASP A 38 28.701 10.199 0.124 1.00 3.34 H new ATOM 0 HB2 ASP A 38 31.359 9.871 1.525 1.00 1.12 H new ATOM 0 HB3 ASP A 38 31.033 10.527 -0.067 1.00 1.12 H new ATOM 586 N ASP A 39 28.445 7.690 0.181 1.00 3.32 N ATOM 587 CA ASP A 39 28.463 6.247 -0.023 1.00 73.55 C ATOM 588 C ASP A 39 27.297 5.809 -0.905 1.00 22.40 C ATOM 589 O ASP A 39 27.429 4.890 -1.716 1.00 13.45 O ATOM 590 CB ASP A 39 28.403 5.519 1.320 1.00 25.34 C ATOM 591 CG ASP A 39 28.268 4.017 1.160 1.00 1.33 C ATOM 592 OD1 ASP A 39 28.824 3.472 0.184 1.00 60.13 O ATOM 593 OD2 ASP A 39 27.607 3.387 2.012 1.00 41.41 O ATOM 0 H ASP A 39 27.628 8.161 -0.208 1.00 3.32 H new ATOM 0 HA ASP A 39 29.395 5.988 -0.526 1.00 73.55 H new ATOM 0 HB2 ASP A 39 29.305 5.741 1.891 1.00 25.34 H new ATOM 0 HB3 ASP A 39 27.559 5.897 1.897 1.00 25.34 H new ATOM 598 N LEU A 40 26.157 6.470 -0.741 1.00 30.02 N ATOM 599 CA LEU A 40 24.967 6.149 -1.521 1.00 31.41 C ATOM 600 C LEU A 40 25.290 6.096 -3.011 1.00 1.53 C ATOM 601 O LEU A 40 25.739 7.083 -3.593 1.00 42.35 O ATOM 602 CB LEU A 40 23.869 7.181 -1.261 1.00 53.35 C ATOM 603 CG LEU A 40 22.788 6.774 -0.259 1.00 53.25 C ATOM 604 CD1 LEU A 40 23.417 6.289 1.037 1.00 2.22 C ATOM 605 CD2 LEU A 40 21.842 7.937 0.007 1.00 63.44 C ATOM 0 H LEU A 40 26.031 7.232 -0.075 1.00 30.02 H new ATOM 0 HA LEU A 40 24.613 5.166 -1.210 1.00 31.41 H new ATOM 0 HB2 LEU A 40 24.338 8.099 -0.906 1.00 53.35 H new ATOM 0 HB3 LEU A 40 23.387 7.416 -2.210 1.00 53.35 H new ATOM 0 HG LEU A 40 22.212 5.954 -0.688 1.00 53.25 H new ATOM 0 HD11 LEU A 40 22.632 6.004 1.738 1.00 2.22 H new ATOM 0 HD12 LEU A 40 24.052 5.427 0.833 1.00 2.22 H new ATOM 0 HD13 LEU A 40 24.018 7.088 1.471 1.00 2.22 H new ATOM 0 HD21 LEU A 40 21.079 7.629 0.722 1.00 63.44 H new ATOM 0 HD22 LEU A 40 22.404 8.777 0.415 1.00 63.44 H new ATOM 0 HD23 LEU A 40 21.365 8.238 -0.925 1.00 63.44 H new ATOM 617 N SER A 41 25.056 4.939 -3.622 1.00 4.34 N ATOM 618 CA SER A 41 25.324 4.758 -5.044 1.00 20.15 C ATOM 619 C SER A 41 24.115 4.154 -5.751 1.00 71.31 C ATOM 620 O SER A 41 24.153 3.889 -6.953 1.00 23.14 O ATOM 621 CB SER A 41 26.547 3.861 -5.243 1.00 61.24 C ATOM 622 OG SER A 41 27.719 4.476 -4.738 1.00 1.32 O ATOM 0 H SER A 41 24.682 4.113 -3.155 1.00 4.34 H new ATOM 0 HA SER A 41 25.526 5.737 -5.479 1.00 20.15 H new ATOM 0 HB2 SER A 41 26.388 2.907 -4.740 1.00 61.24 H new ATOM 0 HB3 SER A 41 26.674 3.645 -6.304 1.00 61.24 H new ATOM 0 HG SER A 41 27.640 4.582 -3.767 1.00 1.32 H new ATOM 628 N SER A 42 23.042 3.938 -4.997 1.00 1.45 N ATOM 629 CA SER A 42 21.822 3.362 -5.549 1.00 60.12 C ATOM 630 C SER A 42 20.588 3.942 -4.864 1.00 24.21 C ATOM 631 O SER A 42 20.627 4.294 -3.685 1.00 45.05 O ATOM 632 CB SER A 42 21.837 1.840 -5.395 1.00 73.12 C ATOM 633 OG SER A 42 20.537 1.298 -5.557 1.00 2.31 O ATOM 0 H SER A 42 22.993 4.154 -4.001 1.00 1.45 H new ATOM 0 HA SER A 42 21.779 3.613 -6.609 1.00 60.12 H new ATOM 0 HB2 SER A 42 22.511 1.403 -6.132 1.00 73.12 H new ATOM 0 HB3 SER A 42 22.225 1.575 -4.412 1.00 73.12 H new ATOM 0 HG SER A 42 20.564 0.576 -6.219 1.00 2.31 H new ATOM 639 N ALA A 43 19.494 4.038 -5.612 1.00 20.31 N ATOM 640 CA ALA A 43 18.248 4.573 -5.077 1.00 71.34 C ATOM 641 C ALA A 43 17.054 4.118 -5.910 1.00 13.04 C ATOM 642 O ALA A 43 16.976 4.399 -7.106 1.00 33.23 O ATOM 643 CB ALA A 43 18.307 6.092 -5.021 1.00 72.03 C ATOM 0 H ALA A 43 19.445 3.752 -6.590 1.00 20.31 H new ATOM 0 HA ALA A 43 18.120 4.188 -4.065 1.00 71.34 H new ATOM 0 HB1 ALA A 43 17.370 6.478 -4.620 1.00 72.03 H new ATOM 0 HB2 ALA A 43 19.132 6.401 -4.378 1.00 72.03 H new ATOM 0 HB3 ALA A 43 18.462 6.487 -6.025 1.00 72.03 H new ATOM 649 N ARG A 44 16.126 3.414 -5.269 1.00 51.14 N ATOM 650 CA ARG A 44 14.936 2.919 -5.952 1.00 24.03 C ATOM 651 C ARG A 44 13.669 3.470 -5.304 1.00 63.21 C ATOM 652 O ARG A 44 13.237 2.991 -4.256 1.00 35.22 O ATOM 653 CB ARG A 44 14.910 1.390 -5.930 1.00 75.41 C ATOM 654 CG ARG A 44 13.816 0.787 -6.797 1.00 50.41 C ATOM 655 CD ARG A 44 12.603 0.393 -5.969 1.00 71.44 C ATOM 656 NE ARG A 44 11.569 -0.243 -6.782 1.00 50.40 N ATOM 657 CZ ARG A 44 10.428 -0.710 -6.287 1.00 4.35 C ATOM 658 NH1 ARG A 44 10.177 -0.613 -4.988 1.00 53.24 N ATOM 659 NH2 ARG A 44 9.537 -1.275 -7.090 1.00 55.32 N ATOM 0 H ARG A 44 16.175 3.174 -4.279 1.00 51.14 H new ATOM 0 HA ARG A 44 14.972 3.260 -6.987 1.00 24.03 H new ATOM 0 HB2 ARG A 44 15.876 1.014 -6.265 1.00 75.41 H new ATOM 0 HB3 ARG A 44 14.775 1.052 -4.903 1.00 75.41 H new ATOM 0 HG2 ARG A 44 13.519 1.505 -7.561 1.00 50.41 H new ATOM 0 HG3 ARG A 44 14.204 -0.089 -7.317 1.00 50.41 H new ATOM 0 HD2 ARG A 44 12.911 -0.289 -5.176 1.00 71.44 H new ATOM 0 HD3 ARG A 44 12.191 1.279 -5.486 1.00 71.44 H new ATOM 0 HE ARG A 44 11.732 -0.333 -7.785 1.00 50.40 H new ATOM 0 HH11 ARG A 44 10.861 -0.179 -4.367 1.00 53.24 H new ATOM 0 HH12 ARG A 44 9.300 -0.972 -4.610 1.00 53.24 H new ATOM 0 HH21 ARG A 44 9.727 -1.352 -8.089 1.00 55.32 H new ATOM 0 HH22 ARG A 44 8.661 -1.633 -6.709 1.00 55.32 H new ATOM 673 N VAL A 45 13.079 4.480 -5.935 1.00 61.25 N ATOM 674 CA VAL A 45 11.862 5.096 -5.422 1.00 34.33 C ATOM 675 C VAL A 45 10.636 4.614 -6.189 1.00 73.23 C ATOM 676 O VAL A 45 10.709 4.260 -7.366 1.00 61.51 O ATOM 677 CB VAL A 45 11.933 6.632 -5.502 1.00 52.22 C ATOM 678 CG1 VAL A 45 13.193 7.145 -4.823 1.00 24.14 C ATOM 679 CG2 VAL A 45 11.873 7.093 -6.951 1.00 23.32 C ATOM 0 H VAL A 45 13.425 4.889 -6.803 1.00 61.25 H new ATOM 0 HA VAL A 45 11.773 4.798 -4.377 1.00 34.33 H new ATOM 0 HB VAL A 45 11.072 7.046 -4.977 1.00 52.22 H new ATOM 0 HG11 VAL A 45 13.225 8.232 -4.890 1.00 24.14 H new ATOM 0 HG12 VAL A 45 13.189 6.846 -3.775 1.00 24.14 H new ATOM 0 HG13 VAL A 45 14.069 6.725 -5.317 1.00 24.14 H new ATOM 0 HG21 VAL A 45 11.924 8.181 -6.989 1.00 23.32 H new ATOM 0 HG22 VAL A 45 12.713 6.671 -7.502 1.00 23.32 H new ATOM 0 HG23 VAL A 45 10.938 6.758 -7.401 1.00 23.32 H new ATOM 689 N PRO A 46 9.480 4.600 -5.509 1.00 74.33 N ATOM 690 CA PRO A 46 8.214 4.164 -6.108 1.00 4.20 C ATOM 691 C PRO A 46 7.700 5.146 -7.155 1.00 10.52 C ATOM 692 O PRO A 46 8.211 6.259 -7.280 1.00 44.11 O ATOM 693 CB PRO A 46 7.258 4.106 -4.914 1.00 5.11 C ATOM 694 CG PRO A 46 7.826 5.067 -3.927 1.00 24.42 C ATOM 695 CD PRO A 46 9.319 5.008 -4.104 1.00 15.42 C ATOM 0 HA PRO A 46 8.318 3.215 -6.635 1.00 4.20 H new ATOM 0 HB2 PRO A 46 6.246 4.388 -5.203 1.00 5.11 H new ATOM 0 HB3 PRO A 46 7.203 3.099 -4.500 1.00 5.11 H new ATOM 0 HG2 PRO A 46 7.452 6.075 -4.104 1.00 24.42 H new ATOM 0 HG3 PRO A 46 7.542 4.795 -2.910 1.00 24.42 H new ATOM 0 HD2 PRO A 46 9.785 5.974 -3.910 1.00 15.42 H new ATOM 0 HD3 PRO A 46 9.776 4.291 -3.422 1.00 15.42 H new ATOM 703 N SER A 47 6.685 4.728 -7.904 1.00 61.12 N ATOM 704 CA SER A 47 6.104 5.570 -8.943 1.00 14.22 C ATOM 705 C SER A 47 5.160 6.606 -8.338 1.00 24.42 C ATOM 706 O SER A 47 4.116 6.263 -7.785 1.00 23.41 O ATOM 707 CB SER A 47 5.352 4.713 -9.963 1.00 35.24 C ATOM 708 OG SER A 47 6.237 4.180 -10.933 1.00 14.14 O ATOM 0 H SER A 47 6.248 3.811 -7.811 1.00 61.12 H new ATOM 0 HA SER A 47 6.916 6.094 -9.448 1.00 14.22 H new ATOM 0 HB2 SER A 47 4.837 3.900 -9.451 1.00 35.24 H new ATOM 0 HB3 SER A 47 4.588 5.315 -10.455 1.00 35.24 H new ATOM 0 HG SER A 47 5.732 3.635 -11.572 1.00 14.14 H new ATOM 714 N GLY A 48 5.537 7.876 -8.447 1.00 43.05 N ATOM 715 CA GLY A 48 4.715 8.943 -7.907 1.00 63.10 C ATOM 716 C GLY A 48 5.364 9.632 -6.723 1.00 45.13 C ATOM 717 O GLY A 48 4.690 10.299 -5.937 1.00 22.41 O ATOM 0 H GLY A 48 6.397 8.185 -8.900 1.00 43.05 H new ATOM 0 HA2 GLY A 48 4.519 9.677 -8.688 1.00 63.10 H new ATOM 0 HA3 GLY A 48 3.751 8.536 -7.603 1.00 63.10 H new ATOM 721 N LEU A 49 6.677 9.471 -6.594 1.00 13.12 N ATOM 722 CA LEU A 49 7.418 10.082 -5.496 1.00 32.13 C ATOM 723 C LEU A 49 8.542 10.968 -6.024 1.00 31.43 C ATOM 724 O LEU A 49 9.296 10.567 -6.910 1.00 45.42 O ATOM 725 CB LEU A 49 7.993 9.001 -4.579 1.00 33.12 C ATOM 726 CG LEU A 49 8.275 9.424 -3.137 1.00 2.41 C ATOM 727 CD1 LEU A 49 8.241 8.219 -2.210 1.00 64.02 C ATOM 728 CD2 LEU A 49 9.618 10.134 -3.043 1.00 12.32 C ATOM 0 H LEU A 49 7.250 8.923 -7.236 1.00 13.12 H new ATOM 0 HA LEU A 49 6.728 10.704 -4.926 1.00 32.13 H new ATOM 0 HB2 LEU A 49 7.298 8.161 -4.561 1.00 33.12 H new ATOM 0 HB3 LEU A 49 8.922 8.637 -5.018 1.00 33.12 H new ATOM 0 HG LEU A 49 7.496 10.119 -2.824 1.00 2.41 H new ATOM 0 HD11 LEU A 49 8.444 8.540 -1.188 1.00 64.02 H new ATOM 0 HD12 LEU A 49 7.257 7.753 -2.255 1.00 64.02 H new ATOM 0 HD13 LEU A 49 8.998 7.499 -2.521 1.00 64.02 H new ATOM 0 HD21 LEU A 49 9.803 10.428 -2.010 1.00 12.32 H new ATOM 0 HD22 LEU A 49 10.409 9.462 -3.376 1.00 12.32 H new ATOM 0 HD23 LEU A 49 9.606 11.021 -3.676 1.00 12.32 H new ATOM 740 N ARG A 50 8.649 12.172 -5.471 1.00 75.34 N ATOM 741 CA ARG A 50 9.681 13.114 -5.886 1.00 22.40 C ATOM 742 C ARG A 50 10.748 13.261 -4.805 1.00 10.30 C ATOM 743 O ARG A 50 10.437 13.316 -3.614 1.00 43.13 O ATOM 744 CB ARG A 50 9.062 14.478 -6.196 1.00 63.24 C ATOM 745 CG ARG A 50 9.845 15.283 -7.220 1.00 45.13 C ATOM 746 CD ARG A 50 9.022 15.545 -8.471 1.00 53.13 C ATOM 747 NE ARG A 50 9.628 16.565 -9.322 1.00 41.43 N ATOM 748 CZ ARG A 50 9.020 17.101 -10.375 1.00 12.24 C ATOM 749 NH1 ARG A 50 7.795 16.716 -10.703 1.00 75.15 N ATOM 750 NH2 ARG A 50 9.637 18.025 -11.100 1.00 62.12 N ATOM 0 H ARG A 50 8.034 12.518 -4.735 1.00 75.34 H new ATOM 0 HA ARG A 50 10.153 12.724 -6.788 1.00 22.40 H new ATOM 0 HB2 ARG A 50 8.046 14.332 -6.561 1.00 63.24 H new ATOM 0 HB3 ARG A 50 8.989 15.053 -5.273 1.00 63.24 H new ATOM 0 HG2 ARG A 50 10.153 16.232 -6.780 1.00 45.13 H new ATOM 0 HG3 ARG A 50 10.755 14.746 -7.488 1.00 45.13 H new ATOM 0 HD2 ARG A 50 8.916 14.619 -9.035 1.00 53.13 H new ATOM 0 HD3 ARG A 50 8.019 15.861 -8.185 1.00 53.13 H new ATOM 0 HE ARG A 50 10.570 16.884 -9.096 1.00 41.43 H new ATOM 0 HH11 ARG A 50 7.317 16.007 -10.147 1.00 75.15 H new ATOM 0 HH12 ARG A 50 7.330 17.129 -11.512 1.00 75.15 H new ATOM 0 HH21 ARG A 50 10.579 18.325 -10.849 1.00 62.12 H new ATOM 0 HH22 ARG A 50 9.169 18.436 -11.908 1.00 62.12 H new ATOM 764 N LEU A 51 12.006 13.324 -5.227 1.00 51.54 N ATOM 765 CA LEU A 51 13.120 13.465 -4.296 1.00 14.33 C ATOM 766 C LEU A 51 14.140 14.473 -4.815 1.00 50.12 C ATOM 767 O LEU A 51 14.232 14.712 -6.019 1.00 3.33 O ATOM 768 CB LEU A 51 13.794 12.111 -4.068 1.00 13.34 C ATOM 769 CG LEU A 51 12.868 10.958 -3.678 1.00 4.01 C ATOM 770 CD1 LEU A 51 12.368 10.233 -4.917 1.00 54.24 C ATOM 771 CD2 LEU A 51 13.584 9.992 -2.745 1.00 62.34 C ATOM 0 H LEU A 51 12.280 13.280 -6.208 1.00 51.54 H new ATOM 0 HA LEU A 51 12.725 13.832 -3.348 1.00 14.33 H new ATOM 0 HB2 LEU A 51 14.324 11.833 -4.979 1.00 13.34 H new ATOM 0 HB3 LEU A 51 14.545 12.228 -3.286 1.00 13.34 H new ATOM 0 HG LEU A 51 12.007 11.370 -3.151 1.00 4.01 H new ATOM 0 HD11 LEU A 51 11.711 9.416 -4.620 1.00 54.24 H new ATOM 0 HD12 LEU A 51 11.818 10.930 -5.549 1.00 54.24 H new ATOM 0 HD13 LEU A 51 13.217 9.833 -5.472 1.00 54.24 H new ATOM 0 HD21 LEU A 51 12.910 9.178 -2.478 1.00 62.34 H new ATOM 0 HD22 LEU A 51 14.463 9.586 -3.246 1.00 62.34 H new ATOM 0 HD23 LEU A 51 13.892 10.519 -1.842 1.00 62.34 H new ATOM 783 N GLU A 52 14.905 15.059 -3.899 1.00 61.32 N ATOM 784 CA GLU A 52 15.920 16.039 -4.266 1.00 52.52 C ATOM 785 C GLU A 52 17.197 15.829 -3.459 1.00 23.24 C ATOM 786 O GLU A 52 17.183 15.881 -2.229 1.00 4.13 O ATOM 787 CB GLU A 52 15.392 17.459 -4.046 1.00 23.21 C ATOM 788 CG GLU A 52 14.107 17.755 -4.801 1.00 24.30 C ATOM 789 CD GLU A 52 12.869 17.537 -3.953 1.00 42.51 C ATOM 790 OE1 GLU A 52 12.803 18.108 -2.844 1.00 53.32 O ATOM 791 OE2 GLU A 52 11.967 16.797 -4.398 1.00 4.14 O ATOM 0 H GLU A 52 14.841 14.872 -2.898 1.00 61.32 H new ATOM 0 HA GLU A 52 16.153 15.905 -5.322 1.00 52.52 H new ATOM 0 HB2 GLU A 52 15.221 17.613 -2.981 1.00 23.21 H new ATOM 0 HB3 GLU A 52 16.156 18.173 -4.353 1.00 23.21 H new ATOM 0 HG2 GLU A 52 14.126 18.787 -5.152 1.00 24.30 H new ATOM 0 HG3 GLU A 52 14.054 17.119 -5.685 1.00 24.30 H new ATOM 798 N VAL A 53 18.301 15.590 -4.160 1.00 20.33 N ATOM 799 CA VAL A 53 19.588 15.371 -3.509 1.00 54.44 C ATOM 800 C VAL A 53 20.331 16.687 -3.305 1.00 75.05 C ATOM 801 O VAL A 53 20.397 17.521 -4.208 1.00 51.44 O ATOM 802 CB VAL A 53 20.475 14.415 -4.328 1.00 21.11 C ATOM 803 CG1 VAL A 53 21.739 14.066 -3.556 1.00 15.51 C ATOM 804 CG2 VAL A 53 19.703 13.158 -4.698 1.00 33.31 C ATOM 0 H VAL A 53 18.330 15.543 -5.179 1.00 20.33 H new ATOM 0 HA VAL A 53 19.380 14.920 -2.539 1.00 54.44 H new ATOM 0 HB VAL A 53 20.768 14.919 -5.249 1.00 21.11 H new ATOM 0 HG11 VAL A 53 22.353 13.390 -4.150 1.00 15.51 H new ATOM 0 HG12 VAL A 53 22.300 14.976 -3.346 1.00 15.51 H new ATOM 0 HG13 VAL A 53 21.470 13.581 -2.617 1.00 15.51 H new ATOM 0 HG21 VAL A 53 20.345 12.494 -5.276 1.00 33.31 H new ATOM 0 HG22 VAL A 53 19.379 12.649 -3.790 1.00 33.31 H new ATOM 0 HG23 VAL A 53 18.831 13.429 -5.293 1.00 33.31 H new ATOM 814 N PHE A 54 20.889 16.866 -2.113 1.00 10.10 N ATOM 815 CA PHE A 54 21.628 18.081 -1.789 1.00 54.04 C ATOM 816 C PHE A 54 23.024 17.747 -1.271 1.00 54.24 C ATOM 817 O PHE A 54 23.190 17.349 -0.119 1.00 34.30 O ATOM 818 CB PHE A 54 20.867 18.903 -0.746 1.00 64.15 C ATOM 819 CG PHE A 54 19.399 19.028 -1.036 1.00 50.21 C ATOM 820 CD1 PHE A 54 18.955 19.349 -2.309 1.00 22.41 C ATOM 821 CD2 PHE A 54 18.462 18.826 -0.035 1.00 43.02 C ATOM 822 CE1 PHE A 54 17.605 19.464 -2.579 1.00 14.20 C ATOM 823 CE2 PHE A 54 17.111 18.940 -0.299 1.00 75.14 C ATOM 824 CZ PHE A 54 16.681 19.261 -1.572 1.00 61.44 C ATOM 0 H PHE A 54 20.844 16.185 -1.355 1.00 10.10 H new ATOM 0 HA PHE A 54 21.730 18.669 -2.701 1.00 54.04 H new ATOM 0 HB2 PHE A 54 20.998 18.443 0.233 1.00 64.15 H new ATOM 0 HB3 PHE A 54 21.304 19.900 -0.691 1.00 64.15 H new ATOM 0 HD1 PHE A 54 19.673 19.511 -3.099 1.00 22.41 H new ATOM 0 HD2 PHE A 54 18.792 18.577 0.963 1.00 43.02 H new ATOM 0 HE1 PHE A 54 17.272 19.712 -3.576 1.00 14.20 H new ATOM 0 HE2 PHE A 54 16.391 18.778 0.490 1.00 75.14 H new ATOM 0 HZ PHE A 54 15.625 19.353 -1.780 1.00 61.44 H new ATOM 834 N GLN A 55 24.023 17.913 -2.132 1.00 72.41 N ATOM 835 CA GLN A 55 25.404 17.628 -1.762 1.00 61.40 C ATOM 836 C GLN A 55 25.775 18.331 -0.461 1.00 3.12 C ATOM 837 O GLN A 55 26.525 17.794 0.356 1.00 75.13 O ATOM 838 CB GLN A 55 26.354 18.062 -2.880 1.00 13.54 C ATOM 839 CG GLN A 55 26.196 17.257 -4.159 1.00 41.55 C ATOM 840 CD GLN A 55 25.651 18.086 -5.306 1.00 61.44 C ATOM 841 OE1 GLN A 55 26.167 19.162 -5.610 1.00 71.32 O ATOM 842 NE2 GLN A 55 24.603 17.587 -5.951 1.00 14.21 N ATOM 0 H GLN A 55 23.902 18.243 -3.089 1.00 72.41 H new ATOM 0 HA GLN A 55 25.499 16.553 -1.612 1.00 61.40 H new ATOM 0 HB2 GLN A 55 26.185 19.116 -3.101 1.00 13.54 H new ATOM 0 HB3 GLN A 55 27.382 17.971 -2.528 1.00 13.54 H new ATOM 0 HG2 GLN A 55 27.162 16.841 -4.444 1.00 41.55 H new ATOM 0 HG3 GLN A 55 25.528 16.416 -3.974 1.00 41.55 H new ATOM 0 HE21 GLN A 55 24.207 16.691 -5.665 1.00 14.21 H new ATOM 0 HE22 GLN A 55 24.194 18.099 -6.732 1.00 14.21 H new ATOM 851 N HIS A 56 25.247 19.536 -0.274 1.00 13.33 N ATOM 852 CA HIS A 56 25.523 20.314 0.929 1.00 35.23 C ATOM 853 C HIS A 56 24.246 20.543 1.733 1.00 71.13 C ATOM 854 O HIS A 56 23.180 20.782 1.167 1.00 10.22 O ATOM 855 CB HIS A 56 26.155 21.656 0.561 1.00 51.14 C ATOM 856 CG HIS A 56 27.571 21.541 0.087 1.00 41.20 C ATOM 857 ND1 HIS A 56 28.584 21.016 0.862 1.00 14.30 N ATOM 858 CD2 HIS A 56 28.141 21.885 -1.091 1.00 42.54 C ATOM 859 CE1 HIS A 56 29.716 21.044 0.182 1.00 54.44 C ATOM 860 NE2 HIS A 56 29.474 21.567 -1.007 1.00 63.13 N ATOM 0 H HIS A 56 24.626 19.995 -0.940 1.00 13.33 H new ATOM 0 HA HIS A 56 26.223 19.749 1.544 1.00 35.23 H new ATOM 0 HB2 HIS A 56 25.557 22.128 -0.218 1.00 51.14 H new ATOM 0 HB3 HIS A 56 26.124 22.314 1.430 1.00 51.14 H new ATOM 0 HD2 HIS A 56 27.640 22.327 -1.940 1.00 42.54 H new ATOM 0 HE1 HIS A 56 30.676 20.698 0.537 1.00 54.44 H new ATOM 0 HE2 HIS A 56 30.165 21.711 -1.743 1.00 63.13 H new ATOM 868 N ASN A 57 24.363 20.467 3.054 1.00 14.15 N ATOM 869 CA ASN A 57 23.217 20.665 3.936 1.00 64.15 C ATOM 870 C ASN A 57 22.685 22.091 3.824 1.00 25.54 C ATOM 871 O ASN A 57 23.329 22.960 3.239 1.00 5.12 O ATOM 872 CB ASN A 57 23.605 20.365 5.385 1.00 73.31 C ATOM 873 CG ASN A 57 24.794 21.184 5.847 1.00 11.32 C ATOM 874 OD1 ASN A 57 24.665 22.372 6.145 1.00 23.35 O ATOM 875 ND2 ASN A 57 25.960 20.552 5.908 1.00 21.04 N ATOM 0 H ASN A 57 25.239 20.270 3.538 1.00 14.15 H new ATOM 0 HA ASN A 57 22.429 19.977 3.628 1.00 64.15 H new ATOM 0 HB2 ASN A 57 22.754 20.567 6.035 1.00 73.31 H new ATOM 0 HB3 ASN A 57 23.837 19.305 5.484 1.00 73.31 H new ATOM 0 HD21 ASN A 57 26.796 21.052 6.211 1.00 21.04 H new ATOM 0 HD22 ASN A 57 26.020 19.567 5.651 1.00 21.04 H new ATOM 882 N ASN A 58 21.506 22.322 4.391 1.00 33.01 N ATOM 883 CA ASN A 58 20.887 23.642 4.356 1.00 53.10 C ATOM 884 C ASN A 58 20.570 24.056 2.922 1.00 0.32 C ATOM 885 O ASN A 58 20.628 25.237 2.578 1.00 5.14 O ATOM 886 CB ASN A 58 21.807 24.677 5.006 1.00 12.23 C ATOM 887 CG ASN A 58 21.042 25.865 5.557 1.00 2.33 C ATOM 888 OD1 ASN A 58 19.967 25.711 6.137 1.00 51.04 O ATOM 889 ND2 ASN A 58 21.595 27.059 5.378 1.00 2.22 N ATOM 0 H ASN A 58 20.960 21.613 4.880 1.00 33.01 H new ATOM 0 HA ASN A 58 19.953 23.593 4.916 1.00 53.10 H new ATOM 0 HB2 ASN A 58 22.369 24.205 5.812 1.00 12.23 H new ATOM 0 HB3 ASN A 58 22.534 25.025 4.272 1.00 12.23 H new ATOM 0 HD21 ASN A 58 21.127 27.895 5.727 1.00 2.22 H new ATOM 0 HD22 ASN A 58 22.488 27.140 4.891 1.00 2.22 H new ATOM 896 N PHE A 59 20.234 23.077 2.090 1.00 72.44 N ATOM 897 CA PHE A 59 19.908 23.339 0.693 1.00 71.34 C ATOM 898 C PHE A 59 21.001 24.168 0.025 1.00 0.45 C ATOM 899 O PHE A 59 20.732 24.958 -0.880 1.00 1.42 O ATOM 900 CB PHE A 59 18.565 24.065 0.588 1.00 61.24 C ATOM 901 CG PHE A 59 17.387 23.137 0.502 1.00 21.04 C ATOM 902 CD1 PHE A 59 17.057 22.315 1.568 1.00 2.10 C ATOM 903 CD2 PHE A 59 16.609 23.087 -0.643 1.00 62.01 C ATOM 904 CE1 PHE A 59 15.974 21.460 1.492 1.00 61.03 C ATOM 905 CE2 PHE A 59 15.525 22.234 -0.725 1.00 54.11 C ATOM 906 CZ PHE A 59 15.206 21.420 0.344 1.00 2.33 C ATOM 0 H PHE A 59 20.180 22.094 2.358 1.00 72.44 H new ATOM 0 HA PHE A 59 19.837 22.381 0.177 1.00 71.34 H new ATOM 0 HB2 PHE A 59 18.443 24.714 1.455 1.00 61.24 H new ATOM 0 HB3 PHE A 59 18.576 24.708 -0.292 1.00 61.24 H new ATOM 0 HD1 PHE A 59 17.653 22.343 2.468 1.00 2.10 H new ATOM 0 HD2 PHE A 59 16.853 23.722 -1.482 1.00 62.01 H new ATOM 0 HE1 PHE A 59 15.728 20.824 2.329 1.00 61.03 H new ATOM 0 HE2 PHE A 59 14.928 22.204 -1.624 1.00 54.11 H new ATOM 0 HZ PHE A 59 14.358 20.754 0.283 1.00 2.33 H new ATOM 916 N LYS A 60 22.236 23.984 0.480 1.00 71.32 N ATOM 917 CA LYS A 60 23.372 24.713 -0.072 1.00 14.24 C ATOM 918 C LYS A 60 23.897 24.031 -1.330 1.00 65.42 C ATOM 919 O LYS A 60 23.782 22.815 -1.484 1.00 12.45 O ATOM 920 CB LYS A 60 24.489 24.820 0.968 1.00 22.35 C ATOM 921 CG LYS A 60 25.650 25.693 0.526 1.00 4.22 C ATOM 922 CD LYS A 60 26.853 24.858 0.120 1.00 2.21 C ATOM 923 CE LYS A 60 28.110 25.708 0.010 1.00 21.34 C ATOM 924 NZ LYS A 60 29.007 25.233 -1.079 1.00 24.41 N ATOM 0 H LYS A 60 22.476 23.336 1.230 1.00 71.32 H new ATOM 0 HA LYS A 60 23.035 25.715 -0.338 1.00 14.24 H new ATOM 0 HB2 LYS A 60 24.075 25.221 1.893 1.00 22.35 H new ATOM 0 HB3 LYS A 60 24.862 23.821 1.193 1.00 22.35 H new ATOM 0 HG2 LYS A 60 25.339 26.316 -0.312 1.00 4.22 H new ATOM 0 HG3 LYS A 60 25.930 26.366 1.337 1.00 4.22 H new ATOM 0 HD2 LYS A 60 27.011 24.066 0.852 1.00 2.21 H new ATOM 0 HD3 LYS A 60 26.655 24.374 -0.836 1.00 2.21 H new ATOM 0 HE2 LYS A 60 27.832 26.745 -0.175 1.00 21.34 H new ATOM 0 HE3 LYS A 60 28.647 25.686 0.958 1.00 21.34 H new ATOM 0 HZ1 LYS A 60 29.810 25.887 -1.178 1.00 24.41 H new ATOM 0 HZ2 LYS A 60 29.361 24.283 -0.848 1.00 24.41 H new ATOM 0 HZ3 LYS A 60 28.478 25.197 -1.974 1.00 24.41 H new ATOM 938 N GLY A 61 24.477 24.821 -2.229 1.00 23.04 N ATOM 939 CA GLY A 61 25.013 24.274 -3.461 1.00 45.34 C ATOM 940 C GLY A 61 23.930 23.938 -4.466 1.00 74.02 C ATOM 941 O GLY A 61 22.773 24.324 -4.296 1.00 1.33 O ATOM 0 H GLY A 61 24.585 25.830 -2.126 1.00 23.04 H new ATOM 0 HA2 GLY A 61 25.704 24.992 -3.903 1.00 45.34 H new ATOM 0 HA3 GLY A 61 25.587 23.375 -3.236 1.00 45.34 H new ATOM 945 N VAL A 62 24.303 23.217 -5.519 1.00 3.14 N ATOM 946 CA VAL A 62 23.355 22.829 -6.556 1.00 14.25 C ATOM 947 C VAL A 62 22.442 21.707 -6.073 1.00 52.34 C ATOM 948 O VAL A 62 22.911 20.673 -5.598 1.00 74.11 O ATOM 949 CB VAL A 62 24.078 22.373 -7.836 1.00 63.22 C ATOM 950 CG1 VAL A 62 24.854 23.528 -8.452 1.00 33.50 C ATOM 951 CG2 VAL A 62 25.000 21.200 -7.538 1.00 1.04 C ATOM 0 H VAL A 62 25.256 22.890 -5.676 1.00 3.14 H new ATOM 0 HA VAL A 62 22.755 23.710 -6.782 1.00 14.25 H new ATOM 0 HB VAL A 62 23.330 22.044 -8.557 1.00 63.22 H new ATOM 0 HG11 VAL A 62 25.358 23.186 -9.356 1.00 33.50 H new ATOM 0 HG12 VAL A 62 24.166 24.335 -8.703 1.00 33.50 H new ATOM 0 HG13 VAL A 62 25.594 23.891 -7.739 1.00 33.50 H new ATOM 0 HG21 VAL A 62 25.503 20.891 -8.454 1.00 1.04 H new ATOM 0 HG22 VAL A 62 25.743 21.500 -6.799 1.00 1.04 H new ATOM 0 HG23 VAL A 62 24.415 20.368 -7.146 1.00 1.04 H new ATOM 961 N ARG A 63 21.136 21.919 -6.200 1.00 31.13 N ATOM 962 CA ARG A 63 20.156 20.925 -5.776 1.00 45.52 C ATOM 963 C ARG A 63 19.816 19.975 -6.921 1.00 2.25 C ATOM 964 O ARG A 63 19.647 20.400 -8.064 1.00 33.23 O ATOM 965 CB ARG A 63 18.885 21.613 -5.275 1.00 2.02 C ATOM 966 CG ARG A 63 18.190 22.454 -6.333 1.00 12.01 C ATOM 967 CD ARG A 63 16.945 23.130 -5.778 1.00 64.43 C ATOM 968 NE ARG A 63 17.249 24.422 -5.169 1.00 64.33 N ATOM 969 CZ ARG A 63 16.340 25.188 -4.578 1.00 35.54 C ATOM 970 NH1 ARG A 63 15.075 24.793 -4.515 1.00 63.21 N ATOM 971 NH2 ARG A 63 16.694 26.351 -4.046 1.00 73.33 N ATOM 0 H ARG A 63 20.732 22.769 -6.593 1.00 31.13 H new ATOM 0 HA ARG A 63 20.592 20.345 -4.962 1.00 45.52 H new ATOM 0 HB2 ARG A 63 18.191 20.855 -4.912 1.00 2.02 H new ATOM 0 HB3 ARG A 63 19.137 22.248 -4.426 1.00 2.02 H new ATOM 0 HG2 ARG A 63 18.879 23.210 -6.709 1.00 12.01 H new ATOM 0 HG3 ARG A 63 17.917 21.823 -7.179 1.00 12.01 H new ATOM 0 HD2 ARG A 63 16.220 23.269 -6.580 1.00 64.43 H new ATOM 0 HD3 ARG A 63 16.480 22.480 -5.037 1.00 64.43 H new ATOM 0 HE ARG A 63 18.213 24.754 -5.199 1.00 64.33 H new ATOM 0 HH11 ARG A 63 14.799 23.899 -4.921 1.00 63.21 H new ATOM 0 HH12 ARG A 63 14.378 25.383 -4.060 1.00 63.21 H new ATOM 0 HH21 ARG A 63 17.666 26.658 -4.091 1.00 73.33 H new ATOM 0 HH22 ARG A 63 15.994 26.938 -3.592 1.00 73.33 H new ATOM 985 N ASP A 64 19.718 18.689 -6.605 1.00 24.42 N ATOM 986 CA ASP A 64 19.398 17.678 -7.606 1.00 71.10 C ATOM 987 C ASP A 64 17.955 17.204 -7.458 1.00 4.33 C ATOM 988 O ASP A 64 17.236 17.644 -6.560 1.00 71.34 O ATOM 989 CB ASP A 64 20.353 16.489 -7.486 1.00 11.34 C ATOM 990 CG ASP A 64 20.676 15.868 -8.830 1.00 44.02 C ATOM 991 OD1 ASP A 64 21.429 16.492 -9.607 1.00 3.41 O ATOM 992 OD2 ASP A 64 20.177 14.757 -9.105 1.00 44.04 O ATOM 0 H ASP A 64 19.856 18.322 -5.663 1.00 24.42 H new ATOM 0 HA ASP A 64 19.514 18.129 -8.591 1.00 71.10 H new ATOM 0 HB2 ASP A 64 21.277 16.816 -7.009 1.00 11.34 H new ATOM 0 HB3 ASP A 64 19.909 15.734 -6.838 1.00 11.34 H new ATOM 997 N PHE A 65 17.539 16.306 -8.344 1.00 54.43 N ATOM 998 CA PHE A 65 16.181 15.775 -8.314 1.00 22.44 C ATOM 999 C PHE A 65 16.125 14.390 -8.952 1.00 30.32 C ATOM 1000 O PHE A 65 16.884 14.087 -9.873 1.00 4.34 O ATOM 1001 CB PHE A 65 15.223 16.722 -9.039 1.00 20.14 C ATOM 1002 CG PHE A 65 15.698 17.124 -10.405 1.00 41.55 C ATOM 1003 CD1 PHE A 65 16.541 18.212 -10.568 1.00 24.22 C ATOM 1004 CD2 PHE A 65 15.302 16.415 -11.528 1.00 11.32 C ATOM 1005 CE1 PHE A 65 16.979 18.585 -11.825 1.00 23.35 C ATOM 1006 CE2 PHE A 65 15.737 16.783 -12.787 1.00 51.32 C ATOM 1007 CZ PHE A 65 16.578 17.869 -12.935 1.00 74.14 C ATOM 0 H PHE A 65 18.122 15.930 -9.092 1.00 54.43 H new ATOM 0 HA PHE A 65 15.875 15.689 -7.272 1.00 22.44 H new ATOM 0 HB2 PHE A 65 14.249 16.242 -9.129 1.00 20.14 H new ATOM 0 HB3 PHE A 65 15.083 17.618 -8.434 1.00 20.14 H new ATOM 0 HD1 PHE A 65 16.859 18.775 -9.703 1.00 24.22 H new ATOM 0 HD2 PHE A 65 14.645 15.565 -11.418 1.00 11.32 H new ATOM 0 HE1 PHE A 65 17.634 19.436 -11.939 1.00 23.35 H new ATOM 0 HE2 PHE A 65 15.420 16.222 -13.654 1.00 51.32 H new ATOM 0 HZ PHE A 65 16.921 18.157 -13.918 1.00 74.14 H new ATOM 1017 N TYR A 66 15.221 13.553 -8.456 1.00 31.35 N ATOM 1018 CA TYR A 66 15.067 12.199 -8.974 1.00 72.32 C ATOM 1019 C TYR A 66 13.668 11.662 -8.688 1.00 73.24 C ATOM 1020 O TYR A 66 13.201 11.685 -7.549 1.00 53.11 O ATOM 1021 CB TYR A 66 16.116 11.272 -8.359 1.00 25.21 C ATOM 1022 CG TYR A 66 17.340 11.082 -9.227 1.00 32.41 C ATOM 1023 CD1 TYR A 66 17.221 10.662 -10.546 1.00 70.03 C ATOM 1024 CD2 TYR A 66 18.614 11.320 -8.728 1.00 2.51 C ATOM 1025 CE1 TYR A 66 18.336 10.486 -11.343 1.00 52.21 C ATOM 1026 CE2 TYR A 66 19.734 11.149 -9.518 1.00 24.22 C ATOM 1027 CZ TYR A 66 19.590 10.731 -10.824 1.00 41.34 C ATOM 1028 OH TYR A 66 20.704 10.558 -11.614 1.00 73.31 O ATOM 0 H TYR A 66 14.583 13.788 -7.695 1.00 31.35 H new ATOM 0 HA TYR A 66 15.210 12.233 -10.054 1.00 72.32 H new ATOM 0 HB2 TYR A 66 16.424 11.675 -7.394 1.00 25.21 H new ATOM 0 HB3 TYR A 66 15.662 10.300 -8.168 1.00 25.21 H new ATOM 0 HD1 TYR A 66 16.240 10.470 -10.955 1.00 70.03 H new ATOM 0 HD2 TYR A 66 18.731 11.644 -7.705 1.00 2.51 H new ATOM 0 HE1 TYR A 66 18.226 10.159 -12.366 1.00 52.21 H new ATOM 0 HE2 TYR A 66 20.717 11.342 -9.115 1.00 24.22 H new ATOM 0 HH TYR A 66 21.508 10.774 -11.097 1.00 73.31 H new ATOM 1038 N THR A 67 13.002 11.177 -9.732 1.00 62.13 N ATOM 1039 CA THR A 67 11.657 10.634 -9.596 1.00 14.13 C ATOM 1040 C THR A 67 11.551 9.257 -10.242 1.00 11.42 C ATOM 1041 O THR A 67 10.562 8.947 -10.906 1.00 40.20 O ATOM 1042 CB THR A 67 10.607 11.568 -10.229 1.00 24.54 C ATOM 1043 OG1 THR A 67 10.912 12.931 -9.915 1.00 1.11 O ATOM 1044 CG2 THR A 67 9.211 11.227 -9.731 1.00 55.55 C ATOM 0 H THR A 67 13.373 11.150 -10.682 1.00 62.13 H new ATOM 0 HA THR A 67 11.458 10.547 -8.528 1.00 14.13 H new ATOM 0 HB THR A 67 10.634 11.430 -11.310 1.00 24.54 H new ATOM 0 HG1 THR A 67 10.342 13.525 -10.447 1.00 1.11 H new ATOM 0 HG21 THR A 67 8.486 11.899 -10.191 1.00 55.55 H new ATOM 0 HG22 THR A 67 8.971 10.198 -9.997 1.00 55.55 H new ATOM 0 HG23 THR A 67 9.174 11.340 -8.647 1.00 55.55 H new ATOM 1052 N SER A 68 12.576 8.435 -10.042 1.00 72.13 N ATOM 1053 CA SER A 68 12.599 7.091 -10.609 1.00 1.34 C ATOM 1054 C SER A 68 13.718 6.260 -9.988 1.00 72.34 C ATOM 1055 O SER A 68 14.531 6.769 -9.217 1.00 15.52 O ATOM 1056 CB SER A 68 12.779 7.158 -12.126 1.00 71.34 C ATOM 1057 OG SER A 68 12.122 6.077 -12.766 1.00 24.35 O ATOM 0 H SER A 68 13.401 8.675 -9.492 1.00 72.13 H new ATOM 0 HA SER A 68 11.646 6.611 -10.385 1.00 1.34 H new ATOM 0 HB2 SER A 68 12.383 8.102 -12.501 1.00 71.34 H new ATOM 0 HB3 SER A 68 13.841 7.138 -12.371 1.00 71.34 H new ATOM 0 HG SER A 68 12.251 6.144 -13.735 1.00 24.35 H new ATOM 1063 N ASP A 69 13.752 4.977 -10.332 1.00 24.15 N ATOM 1064 CA ASP A 69 14.771 4.073 -9.810 1.00 44.22 C ATOM 1065 C ASP A 69 16.147 4.426 -10.368 1.00 30.24 C ATOM 1066 O ASP A 69 16.576 3.877 -11.382 1.00 31.42 O ATOM 1067 CB ASP A 69 14.424 2.624 -10.156 1.00 15.44 C ATOM 1068 CG ASP A 69 15.594 1.683 -9.949 1.00 72.01 C ATOM 1069 OD1 ASP A 69 15.990 1.475 -8.783 1.00 11.21 O ATOM 1070 OD2 ASP A 69 16.113 1.153 -10.954 1.00 11.35 O ATOM 0 H ASP A 69 13.086 4.540 -10.969 1.00 24.15 H new ATOM 0 HA ASP A 69 14.798 4.183 -8.726 1.00 44.22 H new ATOM 0 HB2 ASP A 69 13.586 2.297 -9.541 1.00 15.44 H new ATOM 0 HB3 ASP A 69 14.097 2.570 -11.194 1.00 15.44 H new ATOM 1075 N ALA A 70 16.833 5.346 -9.698 1.00 11.30 N ATOM 1076 CA ALA A 70 18.160 5.771 -10.126 1.00 11.53 C ATOM 1077 C ALA A 70 19.246 4.928 -9.466 1.00 52.13 C ATOM 1078 O ALA A 70 19.279 4.788 -8.244 1.00 62.42 O ATOM 1079 CB ALA A 70 18.369 7.245 -9.810 1.00 41.23 C ATOM 0 H ALA A 70 16.492 5.811 -8.857 1.00 11.30 H new ATOM 0 HA ALA A 70 18.230 5.628 -11.204 1.00 11.53 H new ATOM 0 HB1 ALA A 70 19.364 7.549 -10.135 1.00 41.23 H new ATOM 0 HB2 ALA A 70 17.619 7.839 -10.333 1.00 41.23 H new ATOM 0 HB3 ALA A 70 18.274 7.404 -8.736 1.00 41.23 H new ATOM 1085 N ALA A 71 20.132 4.368 -10.283 1.00 53.25 N ATOM 1086 CA ALA A 71 21.220 3.540 -9.779 1.00 35.42 C ATOM 1087 C ALA A 71 22.540 4.302 -9.788 1.00 1.12 C ATOM 1088 O ALA A 71 23.586 3.745 -10.120 1.00 52.42 O ATOM 1089 CB ALA A 71 21.338 2.265 -10.602 1.00 0.42 C ATOM 0 H ALA A 71 20.117 4.473 -11.297 1.00 53.25 H new ATOM 0 HA ALA A 71 20.992 3.273 -8.747 1.00 35.42 H new ATOM 0 HB1 ALA A 71 22.155 1.656 -10.214 1.00 0.42 H new ATOM 0 HB2 ALA A 71 20.406 1.704 -10.539 1.00 0.42 H new ATOM 0 HB3 ALA A 71 21.538 2.521 -11.642 1.00 0.42 H new ATOM 1095 N GLU A 72 22.484 5.579 -9.421 1.00 74.23 N ATOM 1096 CA GLU A 72 23.676 6.417 -9.389 1.00 42.13 C ATOM 1097 C GLU A 72 23.355 7.799 -8.827 1.00 50.03 C ATOM 1098 O GLU A 72 22.739 8.627 -9.500 1.00 3.44 O ATOM 1099 CB GLU A 72 24.271 6.551 -10.793 1.00 35.21 C ATOM 1100 CG GLU A 72 25.786 6.448 -10.825 1.00 22.15 C ATOM 1101 CD GLU A 72 26.444 7.691 -11.392 1.00 74.23 C ATOM 1102 OE1 GLU A 72 26.169 8.795 -10.879 1.00 12.32 O ATOM 1103 OE2 GLU A 72 27.233 7.558 -12.351 1.00 5.24 O ATOM 0 H GLU A 72 21.626 6.055 -9.142 1.00 74.23 H new ATOM 0 HA GLU A 72 24.407 5.939 -8.737 1.00 42.13 H new ATOM 0 HB2 GLU A 72 23.849 5.776 -11.433 1.00 35.21 H new ATOM 0 HB3 GLU A 72 23.972 7.510 -11.215 1.00 35.21 H new ATOM 0 HG2 GLU A 72 26.156 6.275 -9.814 1.00 22.15 H new ATOM 0 HG3 GLU A 72 26.075 5.584 -11.423 1.00 22.15 H new ATOM 1110 N LEU A 73 23.775 8.040 -7.591 1.00 4.44 N ATOM 1111 CA LEU A 73 23.533 9.322 -6.936 1.00 72.44 C ATOM 1112 C LEU A 73 24.021 10.477 -7.804 1.00 2.21 C ATOM 1113 O LEU A 73 24.919 10.310 -8.630 1.00 13.32 O ATOM 1114 CB LEU A 73 24.229 9.361 -5.575 1.00 11.31 C ATOM 1115 CG LEU A 73 23.436 8.791 -4.399 1.00 32.14 C ATOM 1116 CD1 LEU A 73 22.320 9.743 -3.995 1.00 62.45 C ATOM 1117 CD2 LEU A 73 22.871 7.422 -4.750 1.00 12.31 C ATOM 0 H LEU A 73 24.285 7.365 -7.021 1.00 4.44 H new ATOM 0 HA LEU A 73 22.458 9.431 -6.790 1.00 72.44 H new ATOM 0 HB2 LEU A 73 25.168 8.813 -5.654 1.00 11.31 H new ATOM 0 HB3 LEU A 73 24.482 10.397 -5.348 1.00 11.31 H new ATOM 0 HG LEU A 73 24.112 8.677 -3.552 1.00 32.14 H new ATOM 0 HD11 LEU A 73 21.767 9.320 -3.157 1.00 62.45 H new ATOM 0 HD12 LEU A 73 22.748 10.701 -3.701 1.00 62.45 H new ATOM 0 HD13 LEU A 73 21.645 9.891 -4.838 1.00 62.45 H new ATOM 0 HD21 LEU A 73 22.310 7.032 -3.901 1.00 12.31 H new ATOM 0 HD22 LEU A 73 22.210 7.511 -5.612 1.00 12.31 H new ATOM 0 HD23 LEU A 73 23.688 6.741 -4.988 1.00 12.31 H new ATOM 1129 N SER A 74 23.426 11.649 -7.609 1.00 52.51 N ATOM 1130 CA SER A 74 23.799 12.833 -8.375 1.00 1.02 C ATOM 1131 C SER A 74 25.306 13.066 -8.314 1.00 53.25 C ATOM 1132 O SER A 74 25.898 13.611 -9.246 1.00 23.10 O ATOM 1133 CB SER A 74 23.060 14.063 -7.845 1.00 54.13 C ATOM 1134 OG SER A 74 23.453 15.233 -8.541 1.00 10.40 O ATOM 0 H SER A 74 22.684 11.805 -6.927 1.00 52.51 H new ATOM 0 HA SER A 74 23.515 12.668 -9.414 1.00 1.02 H new ATOM 0 HB2 SER A 74 21.985 13.918 -7.949 1.00 54.13 H new ATOM 0 HB3 SER A 74 23.264 14.183 -6.781 1.00 54.13 H new ATOM 0 HG SER A 74 23.380 16.008 -7.946 1.00 10.40 H new ATOM 1140 N ARG A 75 25.919 12.650 -7.211 1.00 73.23 N ATOM 1141 CA ARG A 75 27.356 12.814 -7.028 1.00 33.15 C ATOM 1142 C ARG A 75 27.948 11.621 -6.284 1.00 25.41 C ATOM 1143 O ARG A 75 27.520 11.290 -5.178 1.00 53.31 O ATOM 1144 CB ARG A 75 27.649 14.104 -6.260 1.00 1.04 C ATOM 1145 CG ARG A 75 28.633 15.022 -6.965 1.00 43.43 C ATOM 1146 CD ARG A 75 27.921 16.001 -7.886 1.00 34.21 C ATOM 1147 NE ARG A 75 28.858 16.868 -8.594 1.00 61.14 N ATOM 1148 CZ ARG A 75 28.493 17.731 -9.536 1.00 62.42 C ATOM 1149 NH1 ARG A 75 27.218 17.841 -9.880 1.00 54.05 N ATOM 1150 NH2 ARG A 75 29.405 18.486 -10.135 1.00 61.44 N ATOM 0 H ARG A 75 25.443 12.197 -6.431 1.00 73.23 H new ATOM 0 HA ARG A 75 27.819 12.872 -8.013 1.00 33.15 H new ATOM 0 HB2 ARG A 75 26.714 14.642 -6.100 1.00 1.04 H new ATOM 0 HB3 ARG A 75 28.043 13.850 -5.276 1.00 1.04 H new ATOM 0 HG2 ARG A 75 29.212 15.573 -6.224 1.00 43.43 H new ATOM 0 HG3 ARG A 75 29.339 14.425 -7.543 1.00 43.43 H new ATOM 0 HD2 ARG A 75 27.322 15.448 -8.609 1.00 34.21 H new ATOM 0 HD3 ARG A 75 27.232 16.612 -7.302 1.00 34.21 H new ATOM 0 HE ARG A 75 29.847 16.808 -8.352 1.00 61.14 H new ATOM 0 HH11 ARG A 75 26.514 17.262 -9.421 1.00 54.05 H new ATOM 0 HH12 ARG A 75 26.940 18.504 -10.603 1.00 54.05 H new ATOM 0 HH21 ARG A 75 30.387 18.404 -9.872 1.00 61.44 H new ATOM 0 HH22 ARG A 75 29.124 19.148 -10.858 1.00 61.44 H new ATOM 1164 N ASP A 76 28.935 10.978 -6.898 1.00 44.15 N ATOM 1165 CA ASP A 76 29.588 9.822 -6.295 1.00 34.20 C ATOM 1166 C ASP A 76 30.081 10.149 -4.889 1.00 21.31 C ATOM 1167 O ASP A 76 30.988 10.960 -4.712 1.00 44.42 O ATOM 1168 CB ASP A 76 30.757 9.358 -7.164 1.00 63.23 C ATOM 1169 CG ASP A 76 30.959 7.856 -7.111 1.00 14.14 C ATOM 1170 OD1 ASP A 76 30.014 7.118 -7.461 1.00 0.44 O ATOM 1171 OD2 ASP A 76 32.061 7.419 -6.718 1.00 35.54 O ATOM 0 H ASP A 76 29.301 11.238 -7.814 1.00 44.15 H new ATOM 0 HA ASP A 76 28.856 9.017 -6.226 1.00 34.20 H new ATOM 0 HB2 ASP A 76 30.581 9.662 -8.196 1.00 63.23 H new ATOM 0 HB3 ASP A 76 31.669 9.856 -6.836 1.00 63.23 H new ATOM 1176 N ASN A 77 29.476 9.511 -3.892 1.00 10.31 N ATOM 1177 CA ASN A 77 29.853 9.736 -2.501 1.00 32.40 C ATOM 1178 C ASN A 77 29.898 11.227 -2.183 1.00 54.23 C ATOM 1179 O ASN A 77 30.973 11.812 -2.052 1.00 12.41 O ATOM 1180 CB ASN A 77 31.214 9.100 -2.211 1.00 31.13 C ATOM 1181 CG ASN A 77 31.421 7.805 -2.972 1.00 21.44 C ATOM 1182 OD1 ASN A 77 30.523 6.848 -2.766 1.00 51.30 O flip ATOM 1183 ND2 ASN A 77 32.377 7.666 -3.735 1.00 63.14 N flip ATOM 0 H ASN A 77 28.723 8.835 -4.021 1.00 10.31 H new ATOM 0 HA ASN A 77 29.099 9.271 -1.867 1.00 32.40 H new ATOM 0 HB2 ASN A 77 32.004 9.803 -2.474 1.00 31.13 H new ATOM 0 HB3 ASN A 77 31.302 8.908 -1.142 1.00 31.13 H new ATOM 0 HD21 ASN A 77 33.043 8.428 -3.863 1.00 63.14 H new ATOM 0 HD22 ASN A 77 32.504 6.789 -4.239 1.00 63.14 H new ATOM 1190 N ASP A 78 28.723 11.836 -2.061 1.00 21.22 N ATOM 1191 CA ASP A 78 28.627 13.259 -1.757 1.00 24.23 C ATOM 1192 C ASP A 78 27.169 13.696 -1.655 1.00 64.13 C ATOM 1193 O ASP A 78 26.580 14.156 -2.632 1.00 74.25 O ATOM 1194 CB ASP A 78 29.346 14.080 -2.828 1.00 53.52 C ATOM 1195 CG ASP A 78 30.697 14.586 -2.361 1.00 55.13 C ATOM 1196 OD1 ASP A 78 30.732 15.375 -1.394 1.00 24.52 O ATOM 1197 OD2 ASP A 78 31.718 14.194 -2.964 1.00 51.10 O ATOM 0 H ASP A 78 27.824 11.366 -2.168 1.00 21.22 H new ATOM 0 HA ASP A 78 29.107 13.433 -0.794 1.00 24.23 H new ATOM 0 HB2 ASP A 78 29.479 13.469 -3.721 1.00 53.52 H new ATOM 0 HB3 ASP A 78 28.722 14.928 -3.111 1.00 53.52 H new ATOM 1202 N ALA A 79 26.594 13.548 -0.467 1.00 31.25 N ATOM 1203 CA ALA A 79 25.206 13.928 -0.237 1.00 54.02 C ATOM 1204 C ALA A 79 24.974 14.308 1.221 1.00 2.33 C ATOM 1205 O ALA A 79 24.692 13.451 2.059 1.00 50.52 O ATOM 1206 CB ALA A 79 24.274 12.796 -0.644 1.00 22.55 C ATOM 0 H ALA A 79 27.068 13.167 0.352 1.00 31.25 H new ATOM 0 HA ALA A 79 24.989 14.802 -0.851 1.00 54.02 H new ATOM 0 HB1 ALA A 79 23.241 13.094 -0.467 1.00 22.55 H new ATOM 0 HB2 ALA A 79 24.411 12.574 -1.702 1.00 22.55 H new ATOM 0 HB3 ALA A 79 24.502 11.908 -0.055 1.00 22.55 H new ATOM 1212 N SER A 80 25.096 15.598 1.518 1.00 3.13 N ATOM 1213 CA SER A 80 24.905 16.091 2.877 1.00 12.03 C ATOM 1214 C SER A 80 23.453 15.924 3.316 1.00 23.34 C ATOM 1215 O SER A 80 23.160 15.198 4.267 1.00 44.14 O ATOM 1216 CB SER A 80 25.311 17.563 2.970 1.00 23.05 C ATOM 1217 OG SER A 80 26.721 17.705 2.946 1.00 10.30 O ATOM 0 H SER A 80 25.326 16.320 0.836 1.00 3.13 H new ATOM 0 HA SER A 80 25.538 15.504 3.542 1.00 12.03 H new ATOM 0 HB2 SER A 80 24.872 18.118 2.141 1.00 23.05 H new ATOM 0 HB3 SER A 80 24.914 17.996 3.888 1.00 23.05 H new ATOM 0 HG SER A 80 27.037 17.677 2.019 1.00 10.30 H new ATOM 1223 N SER A 81 22.548 16.601 2.617 1.00 63.20 N ATOM 1224 CA SER A 81 21.127 16.531 2.936 1.00 41.21 C ATOM 1225 C SER A 81 20.317 16.103 1.716 1.00 30.11 C ATOM 1226 O SER A 81 20.795 16.171 0.584 1.00 62.43 O ATOM 1227 CB SER A 81 20.630 17.886 3.443 1.00 55.34 C ATOM 1228 OG SER A 81 19.216 17.907 3.538 1.00 12.15 O ATOM 0 H SER A 81 22.773 17.204 1.826 1.00 63.20 H new ATOM 0 HA SER A 81 20.991 15.786 3.720 1.00 41.21 H new ATOM 0 HB2 SER A 81 21.066 18.095 4.420 1.00 55.34 H new ATOM 0 HB3 SER A 81 20.964 18.675 2.769 1.00 55.34 H new ATOM 0 HG SER A 81 18.912 17.140 4.066 1.00 12.15 H new ATOM 1234 N VAL A 82 19.086 15.661 1.956 1.00 3.41 N ATOM 1235 CA VAL A 82 18.208 15.223 0.878 1.00 32.44 C ATOM 1236 C VAL A 82 16.745 15.483 1.221 1.00 3.20 C ATOM 1237 O VAL A 82 16.397 15.694 2.383 1.00 24.30 O ATOM 1238 CB VAL A 82 18.394 13.723 0.578 1.00 51.52 C ATOM 1239 CG1 VAL A 82 19.699 13.486 -0.166 1.00 62.12 C ATOM 1240 CG2 VAL A 82 18.349 12.913 1.864 1.00 32.13 C ATOM 0 H VAL A 82 18.675 15.597 2.887 1.00 3.41 H new ATOM 0 HA VAL A 82 18.479 15.800 -0.006 1.00 32.44 H new ATOM 0 HB VAL A 82 17.574 13.393 -0.060 1.00 51.52 H new ATOM 0 HG11 VAL A 82 19.814 12.421 -0.369 1.00 62.12 H new ATOM 0 HG12 VAL A 82 19.686 14.036 -1.107 1.00 62.12 H new ATOM 0 HG13 VAL A 82 20.534 13.831 0.444 1.00 62.12 H new ATOM 0 HG21 VAL A 82 18.482 11.856 1.633 1.00 32.13 H new ATOM 0 HG22 VAL A 82 19.147 13.242 2.530 1.00 32.13 H new ATOM 0 HG23 VAL A 82 17.386 13.059 2.353 1.00 32.13 H new ATOM 1250 N ARG A 83 15.893 15.467 0.202 1.00 54.32 N ATOM 1251 CA ARG A 83 14.467 15.703 0.395 1.00 72.33 C ATOM 1252 C ARG A 83 13.638 14.640 -0.321 1.00 65.31 C ATOM 1253 O ARG A 83 13.913 14.293 -1.470 1.00 50.32 O ATOM 1254 CB ARG A 83 14.084 17.093 -0.117 1.00 31.35 C ATOM 1255 CG ARG A 83 13.593 18.029 0.975 1.00 3.43 C ATOM 1256 CD ARG A 83 12.357 17.478 1.668 1.00 0.13 C ATOM 1257 NE ARG A 83 11.517 18.540 2.216 1.00 25.04 N ATOM 1258 CZ ARG A 83 10.680 19.266 1.485 1.00 41.44 C ATOM 1259 NH1 ARG A 83 10.571 19.046 0.182 1.00 51.33 N ATOM 1260 NH2 ARG A 83 9.949 20.215 2.056 1.00 3.21 N ATOM 0 H ARG A 83 16.165 15.293 -0.766 1.00 54.32 H new ATOM 0 HA ARG A 83 14.257 15.646 1.463 1.00 72.33 H new ATOM 0 HB2 ARG A 83 14.948 17.541 -0.607 1.00 31.35 H new ATOM 0 HB3 ARG A 83 13.306 16.991 -0.874 1.00 31.35 H new ATOM 0 HG2 ARG A 83 14.385 18.181 1.708 1.00 3.43 H new ATOM 0 HG3 ARG A 83 13.366 19.004 0.544 1.00 3.43 H new ATOM 0 HD2 ARG A 83 11.777 16.887 0.959 1.00 0.13 H new ATOM 0 HD3 ARG A 83 12.661 16.806 2.470 1.00 0.13 H new ATOM 0 HE ARG A 83 11.577 18.734 3.216 1.00 25.04 H new ATOM 0 HH11 ARG A 83 11.131 18.318 -0.261 1.00 51.33 H new ATOM 0 HH12 ARG A 83 9.927 19.605 -0.378 1.00 51.33 H new ATOM 0 HH21 ARG A 83 10.030 20.387 3.058 1.00 3.21 H new ATOM 0 HH22 ARG A 83 9.306 20.772 1.493 1.00 3.21 H new ATOM 1274 N VAL A 84 12.624 14.125 0.366 1.00 12.24 N ATOM 1275 CA VAL A 84 11.755 13.102 -0.203 1.00 50.23 C ATOM 1276 C VAL A 84 10.289 13.400 0.091 1.00 21.13 C ATOM 1277 O VAL A 84 9.936 13.793 1.203 1.00 1.10 O ATOM 1278 CB VAL A 84 12.103 11.704 0.341 1.00 71.14 C ATOM 1279 CG1 VAL A 84 13.594 11.435 0.209 1.00 42.32 C ATOM 1280 CG2 VAL A 84 11.654 11.569 1.788 1.00 64.11 C ATOM 0 H VAL A 84 12.384 14.400 1.318 1.00 12.24 H new ATOM 0 HA VAL A 84 11.916 13.114 -1.281 1.00 50.23 H new ATOM 0 HB VAL A 84 11.571 10.960 -0.251 1.00 71.14 H new ATOM 0 HG11 VAL A 84 13.821 10.443 0.599 1.00 42.32 H new ATOM 0 HG12 VAL A 84 13.882 11.487 -0.841 1.00 42.32 H new ATOM 0 HG13 VAL A 84 14.150 12.183 0.775 1.00 42.32 H new ATOM 0 HG21 VAL A 84 11.908 10.575 2.156 1.00 64.11 H new ATOM 0 HG22 VAL A 84 12.157 12.321 2.397 1.00 64.11 H new ATOM 0 HG23 VAL A 84 10.575 11.714 1.849 1.00 64.11 H new ATOM 1290 N SER A 85 9.439 13.209 -0.912 1.00 51.25 N ATOM 1291 CA SER A 85 8.010 13.460 -0.762 1.00 43.44 C ATOM 1292 C SER A 85 7.216 12.745 -1.851 1.00 33.03 C ATOM 1293 O SER A 85 7.754 12.394 -2.901 1.00 25.24 O ATOM 1294 CB SER A 85 7.727 14.963 -0.813 1.00 2.03 C ATOM 1295 OG SER A 85 8.391 15.643 0.239 1.00 62.43 O ATOM 0 H SER A 85 9.715 12.881 -1.838 1.00 51.25 H new ATOM 0 HA SER A 85 7.697 13.071 0.207 1.00 43.44 H new ATOM 0 HB2 SER A 85 8.052 15.365 -1.773 1.00 2.03 H new ATOM 0 HB3 SER A 85 6.653 15.137 -0.742 1.00 2.03 H new ATOM 0 HG SER A 85 8.713 14.992 0.897 1.00 62.43 H new ATOM 1301 N LYS A 86 5.930 12.532 -1.592 1.00 71.22 N ATOM 1302 CA LYS A 86 5.058 11.860 -2.548 1.00 60.42 C ATOM 1303 C LYS A 86 4.372 12.870 -3.463 1.00 22.53 C ATOM 1304 O LYS A 86 3.601 13.712 -3.004 1.00 43.15 O ATOM 1305 CB LYS A 86 4.007 11.026 -1.812 1.00 73.12 C ATOM 1306 CG LYS A 86 4.208 9.527 -1.957 1.00 3.43 C ATOM 1307 CD LYS A 86 4.024 8.809 -0.630 1.00 54.43 C ATOM 1308 CE LYS A 86 2.551 8.634 -0.292 1.00 62.51 C ATOM 1309 NZ LYS A 86 1.965 9.871 0.294 1.00 70.23 N ATOM 0 H LYS A 86 5.469 12.815 -0.728 1.00 71.22 H new ATOM 0 HA LYS A 86 5.672 11.200 -3.161 1.00 60.42 H new ATOM 0 HB2 LYS A 86 4.025 11.286 -0.754 1.00 73.12 H new ATOM 0 HB3 LYS A 86 3.018 11.289 -2.188 1.00 73.12 H new ATOM 0 HG2 LYS A 86 3.500 9.133 -2.686 1.00 3.43 H new ATOM 0 HG3 LYS A 86 5.208 9.329 -2.344 1.00 3.43 H new ATOM 0 HD2 LYS A 86 4.507 7.833 -0.673 1.00 54.43 H new ATOM 0 HD3 LYS A 86 4.516 9.374 0.162 1.00 54.43 H new ATOM 0 HE2 LYS A 86 2.001 8.364 -1.194 1.00 62.51 H new ATOM 0 HE3 LYS A 86 2.435 7.809 0.411 1.00 62.51 H new ATOM 0 HZ1 LYS A 86 1.105 9.629 0.827 1.00 70.23 H new ATOM 0 HZ2 LYS A 86 2.656 10.313 0.934 1.00 70.23 H new ATOM 0 HZ3 LYS A 86 1.724 10.536 -0.468 1.00 70.23 H new ATOM 1323 N MET A 87 4.657 12.777 -4.758 1.00 3.45 N ATOM 1324 CA MET A 87 4.065 13.682 -5.736 1.00 41.02 C ATOM 1325 C MET A 87 2.602 13.331 -5.985 1.00 53.12 C ATOM 1326 O MET A 87 1.700 14.039 -5.538 1.00 22.25 O ATOM 1327 CB MET A 87 4.846 13.627 -7.051 1.00 13.32 C ATOM 1328 CG MET A 87 4.278 14.532 -8.133 1.00 21.42 C ATOM 1329 SD MET A 87 3.495 13.609 -9.469 1.00 64.54 S ATOM 1330 CE MET A 87 4.896 12.699 -10.118 1.00 35.12 C ATOM 0 H MET A 87 5.293 12.085 -5.154 1.00 3.45 H new ATOM 0 HA MET A 87 4.114 14.694 -5.334 1.00 41.02 H new ATOM 0 HB2 MET A 87 5.882 13.908 -6.861 1.00 13.32 H new ATOM 0 HB3 MET A 87 4.856 12.600 -7.416 1.00 13.32 H new ATOM 0 HG2 MET A 87 3.549 15.210 -7.689 1.00 21.42 H new ATOM 0 HG3 MET A 87 5.078 15.149 -8.543 1.00 21.42 H new ATOM 0 HE1 MET A 87 4.729 12.476 -11.172 1.00 35.12 H new ATOM 0 HE2 MET A 87 5.800 13.299 -10.013 1.00 35.12 H new ATOM 0 HE3 MET A 87 5.013 11.767 -9.564 1.00 35.12 H new ATOM 1340 N GLU A 88 2.374 12.235 -6.702 1.00 63.11 N ATOM 1341 CA GLU A 88 1.020 11.792 -7.011 1.00 14.33 C ATOM 1342 C GLU A 88 0.195 11.636 -5.736 1.00 54.25 C ATOM 1343 O GLU A 88 -1.030 11.761 -5.756 1.00 75.54 O ATOM 1344 CB GLU A 88 1.054 10.467 -7.775 1.00 31.13 C ATOM 1345 CG GLU A 88 1.042 10.634 -9.285 1.00 4.42 C ATOM 1346 CD GLU A 88 -0.128 9.929 -9.941 1.00 74.12 C ATOM 1347 OE1 GLU A 88 -0.334 8.730 -9.658 1.00 42.23 O ATOM 1348 OE2 GLU A 88 -0.839 10.576 -10.738 1.00 14.50 O ATOM 0 H GLU A 88 3.110 11.638 -7.080 1.00 63.11 H new ATOM 0 HA GLU A 88 0.551 12.551 -7.637 1.00 14.33 H new ATOM 0 HB2 GLU A 88 1.948 9.914 -7.486 1.00 31.13 H new ATOM 0 HB3 GLU A 88 0.196 9.864 -7.478 1.00 31.13 H new ATOM 0 HG2 GLU A 88 1.005 11.696 -9.529 1.00 4.42 H new ATOM 0 HG3 GLU A 88 1.973 10.245 -9.697 1.00 4.42 H new ATOM 1355 N THR A 89 0.875 11.362 -4.628 1.00 1.13 N ATOM 1356 CA THR A 89 0.207 11.187 -3.344 1.00 71.04 C ATOM 1357 C THR A 89 -0.811 10.054 -3.405 1.00 15.31 C ATOM 1358 O THR A 89 -2.020 10.290 -3.383 1.00 72.52 O ATOM 1359 CB THR A 89 -0.505 12.479 -2.901 1.00 30.02 C ATOM 1360 OG1 THR A 89 0.325 13.614 -3.172 1.00 25.44 O ATOM 1361 CG2 THR A 89 -0.839 12.431 -1.417 1.00 61.15 C ATOM 0 H THR A 89 1.889 11.256 -4.593 1.00 1.13 H new ATOM 0 HA THR A 89 0.980 10.939 -2.616 1.00 71.04 H new ATOM 0 HB THR A 89 -1.434 12.567 -3.464 1.00 30.02 H new ATOM 0 HG1 THR A 89 0.599 13.602 -4.113 1.00 25.44 H new ATOM 0 HG21 THR A 89 -1.341 13.354 -1.127 1.00 61.15 H new ATOM 0 HG22 THR A 89 -1.495 11.583 -1.219 1.00 61.15 H new ATOM 0 HG23 THR A 89 0.080 12.321 -0.841 1.00 61.15 H new ATOM 1369 N THR A 90 -0.316 8.823 -3.480 1.00 73.32 N ATOM 1370 CA THR A 90 -1.183 7.653 -3.544 1.00 72.01 C ATOM 1371 C THR A 90 -1.621 7.216 -2.151 1.00 10.22 C ATOM 1372 O THR A 90 -0.804 6.781 -1.341 1.00 65.43 O ATOM 1373 CB THR A 90 -0.483 6.472 -4.243 1.00 52.55 C ATOM 1374 OG1 THR A 90 0.460 6.961 -5.204 1.00 11.34 O ATOM 1375 CG2 THR A 90 -1.498 5.574 -4.934 1.00 21.31 C ATOM 0 H THR A 90 0.681 8.610 -3.498 1.00 73.32 H new ATOM 0 HA THR A 90 -2.060 7.941 -4.124 1.00 72.01 H new ATOM 0 HB THR A 90 0.040 5.888 -3.486 1.00 52.55 H new ATOM 0 HG1 THR A 90 0.902 6.204 -5.643 1.00 11.34 H new ATOM 0 HG21 THR A 90 -0.981 4.747 -5.421 1.00 21.31 H new ATOM 0 HG22 THR A 90 -2.197 5.181 -4.196 1.00 21.31 H new ATOM 0 HG23 THR A 90 -2.044 6.150 -5.681 1.00 21.31 H new ATOM 1383 N ASN A 91 -2.916 7.335 -1.878 1.00 54.31 N ATOM 1384 CA ASN A 91 -3.463 6.952 -0.581 1.00 42.23 C ATOM 1385 C ASN A 91 -3.623 5.438 -0.485 1.00 14.14 C ATOM 1386 O ASN A 91 -3.951 4.775 -1.468 1.00 63.14 O ATOM 1387 CB ASN A 91 -4.812 7.635 -0.351 1.00 55.23 C ATOM 1388 CG ASN A 91 -5.943 6.944 -1.088 1.00 34.40 C ATOM 1389 OD1 ASN A 91 -6.030 7.007 -2.314 1.00 73.34 O ATOM 1390 ND2 ASN A 91 -6.817 6.279 -0.341 1.00 21.14 N ATOM 0 H ASN A 91 -3.607 7.694 -2.537 1.00 54.31 H new ATOM 0 HA ASN A 91 -2.764 7.276 0.191 1.00 42.23 H new ATOM 0 HB2 ASN A 91 -5.032 7.648 0.716 1.00 55.23 H new ATOM 0 HB3 ASN A 91 -4.751 8.673 -0.677 1.00 55.23 H new ATOM 0 HD21 ASN A 91 -7.599 5.794 -0.781 1.00 21.14 H new ATOM 0 HD22 ASN A 91 -6.706 6.253 0.673 1.00 21.14 H new TER 1397 ASN A 91