USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 55 THR OG1 : rot 115:sc= 0.144 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.501 USER MOD Set 2.1: A 7 THR OG1 : rot -151:sc= 1.19 USER MOD Set 2.2: A 9 THR OG1 : rot -11:sc= 0.79 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.0025 (180deg=-0.0615) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.02 (180deg=0.0576) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.0619 (180deg=-0.322) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0796) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.519 USER MOD Single : A 25 ASN : amide:sc=-0.00829 K(o=-0.0083,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0.195 (180deg=0.195) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= -0.159 (180deg=-1.44) USER MOD Single : A 31 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.322) USER MOD Single : A 40 GLN : amide:sc= -0.456 K(o=-0.46,f=-3.4!) USER MOD Single : A 41 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.2) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0769 (180deg=-0.518) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0599 USER MOD Single : A 60 ASN : amide:sc=-0.00802 K(o=-0.008,f=-1.2!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc=-0.00224 (180deg=-0.255) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.310 31.491 2.509 1.00 0.00 N ATOM 2 CA MET A 1 32.171 32.702 3.367 1.00 0.00 C ATOM 3 C MET A 1 33.049 32.545 4.601 1.00 0.00 C ATOM 4 O MET A 1 33.269 31.432 5.081 1.00 0.00 O ATOM 5 CB MET A 1 30.707 32.870 3.784 1.00 0.00 C ATOM 6 CG MET A 1 30.192 31.568 4.405 1.00 0.00 C ATOM 7 SD MET A 1 28.425 31.733 4.778 1.00 0.00 S ATOM 8 CE MET A 1 28.580 32.149 6.534 1.00 0.00 C ATOM 0 H1 MET A 1 31.442 31.359 1.951 1.00 0.00 H new ATOM 0 H2 MET A 1 33.120 31.611 1.867 1.00 0.00 H new ATOM 0 H3 MET A 1 32.465 30.656 3.109 1.00 0.00 H new ATOM 0 HA MET A 1 32.485 33.585 2.811 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.615 33.687 4.500 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.101 33.135 2.918 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.354 30.737 3.719 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.747 31.342 5.315 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.594 32.137 6.999 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.222 31.418 7.026 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.017 33.142 6.635 1.00 0.00 H new ATOM 20 N GLN A 2 33.553 33.667 5.116 1.00 0.00 N ATOM 21 CA GLN A 2 34.414 33.650 6.300 1.00 0.00 C ATOM 22 C GLN A 2 33.763 34.422 7.445 1.00 0.00 C ATOM 23 O GLN A 2 32.919 35.288 7.223 1.00 0.00 O ATOM 24 CB GLN A 2 35.764 34.290 5.957 1.00 0.00 C ATOM 25 CG GLN A 2 35.540 35.705 5.414 1.00 0.00 C ATOM 26 CD GLN A 2 36.870 36.317 4.986 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.854 35.600 4.805 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.960 37.608 4.812 1.00 0.00 N ATOM 0 H GLN A 2 33.381 34.597 4.733 1.00 0.00 H new ATOM 0 HA GLN A 2 34.562 32.616 6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.396 34.326 6.844 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.287 33.684 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.855 35.674 4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.073 36.327 6.178 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.144 38.201 4.962 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.846 38.023 4.526 1.00 0.00 H new ATOM 37 N ILE A 3 34.188 34.117 8.665 1.00 0.00 N ATOM 38 CA ILE A 3 33.667 34.803 9.847 1.00 0.00 C ATOM 39 C ILE A 3 34.671 34.723 10.980 1.00 0.00 C ATOM 40 O ILE A 3 35.685 34.040 10.872 1.00 0.00 O ATOM 41 CB ILE A 3 32.324 34.213 10.304 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.440 32.681 10.446 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.227 34.578 9.293 1.00 0.00 C ATOM 44 CD1 ILE A 3 31.049 32.037 10.402 1.00 0.00 C ATOM 0 H ILE A 3 34.889 33.403 8.864 1.00 0.00 H new ATOM 0 HA ILE A 3 33.501 35.845 9.575 1.00 0.00 H new ATOM 0 HB ILE A 3 32.060 34.631 11.276 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.060 32.280 9.644 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.934 32.432 11.385 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.276 34.158 9.620 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.141 35.662 9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.485 34.173 8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.145 30.956 10.503 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.442 32.425 11.220 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.570 32.271 9.452 1.00 0.00 H new ATOM 56 N PHE A 4 34.379 35.432 12.064 1.00 0.00 N ATOM 57 CA PHE A 4 35.262 35.455 13.229 1.00 0.00 C ATOM 58 C PHE A 4 34.644 34.678 14.383 1.00 0.00 C ATOM 59 O PHE A 4 33.449 34.800 14.654 1.00 0.00 O ATOM 60 CB PHE A 4 35.491 36.902 13.665 1.00 0.00 C ATOM 61 CG PHE A 4 35.981 37.717 12.491 1.00 0.00 C ATOM 62 CD1 PHE A 4 35.078 38.138 11.507 1.00 0.00 C ATOM 63 CD2 PHE A 4 37.336 38.060 12.390 1.00 0.00 C ATOM 64 CE1 PHE A 4 35.529 38.902 10.423 1.00 0.00 C ATOM 65 CE2 PHE A 4 37.786 38.822 11.305 1.00 0.00 C ATOM 66 CZ PHE A 4 36.883 39.243 10.322 1.00 0.00 C ATOM 0 H PHE A 4 33.537 36.000 12.163 1.00 0.00 H new ATOM 0 HA PHE A 4 36.210 34.991 12.957 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.565 37.326 14.053 1.00 0.00 H new ATOM 0 HB3 PHE A 4 36.221 36.937 14.474 1.00 0.00 H new ATOM 0 HD1 PHE A 4 34.034 37.874 11.584 1.00 0.00 H new ATOM 0 HD2 PHE A 4 38.033 37.737 13.149 1.00 0.00 H new ATOM 0 HE1 PHE A 4 34.832 39.228 9.665 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.831 39.085 11.227 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.231 39.831 9.486 1.00 0.00 H new ATOM 76 N VAL A 5 35.472 33.895 15.078 1.00 0.00 N ATOM 77 CA VAL A 5 35.012 33.114 16.223 1.00 0.00 C ATOM 78 C VAL A 5 35.653 33.658 17.490 1.00 0.00 C ATOM 79 O VAL A 5 36.877 33.736 17.602 1.00 0.00 O ATOM 80 CB VAL A 5 35.373 31.633 16.033 1.00 0.00 C ATOM 81 CG1 VAL A 5 35.261 30.887 17.373 1.00 0.00 C ATOM 82 CG2 VAL A 5 34.393 31.008 15.035 1.00 0.00 C ATOM 0 H VAL A 5 36.464 33.786 14.866 1.00 0.00 H new ATOM 0 HA VAL A 5 33.928 33.194 16.306 1.00 0.00 H new ATOM 0 HB VAL A 5 36.395 31.556 15.662 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.519 29.838 17.228 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.945 31.332 18.096 1.00 0.00 H new ATOM 0 HG13 VAL A 5 34.240 30.961 17.747 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.640 29.956 14.893 1.00 0.00 H new ATOM 0 HG22 VAL A 5 33.377 31.093 15.421 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.463 31.530 14.081 1.00 0.00 H new ATOM 92 N LYS A 6 34.806 34.049 18.426 1.00 0.00 N ATOM 93 CA LYS A 6 35.259 34.613 19.693 1.00 0.00 C ATOM 94 C LYS A 6 35.052 33.616 20.831 1.00 0.00 C ATOM 95 O LYS A 6 33.960 33.072 20.996 1.00 0.00 O ATOM 96 CB LYS A 6 34.459 35.888 19.974 1.00 0.00 C ATOM 97 CG LYS A 6 35.186 36.745 21.005 1.00 0.00 C ATOM 98 CD LYS A 6 34.345 37.989 21.300 1.00 0.00 C ATOM 99 CE LYS A 6 35.101 38.912 22.256 1.00 0.00 C ATOM 100 NZ LYS A 6 35.287 38.226 23.566 1.00 0.00 N ATOM 0 H LYS A 6 33.792 33.987 18.334 1.00 0.00 H new ATOM 0 HA LYS A 6 36.323 34.840 19.627 1.00 0.00 H new ATOM 0 HB2 LYS A 6 34.323 36.452 19.051 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.465 35.630 20.340 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.350 36.176 21.920 1.00 0.00 H new ATOM 0 HG3 LYS A 6 36.168 37.034 20.630 1.00 0.00 H new ATOM 0 HD2 LYS A 6 34.121 38.516 20.372 1.00 0.00 H new ATOM 0 HD3 LYS A 6 33.391 37.698 21.740 1.00 0.00 H new ATOM 0 HE2 LYS A 6 36.069 39.178 21.832 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.548 39.841 22.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 35.614 38.914 24.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 34.383 37.815 23.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 35.994 37.470 23.465 1.00 0.00 H new ATOM 114 N THR A 7 36.104 33.382 21.620 1.00 0.00 N ATOM 115 CA THR A 7 36.017 32.450 22.750 1.00 0.00 C ATOM 116 C THR A 7 35.964 33.219 24.068 1.00 0.00 C ATOM 117 O THR A 7 36.010 34.452 24.086 1.00 0.00 O ATOM 118 CB THR A 7 37.221 31.503 22.756 1.00 0.00 C ATOM 119 OG1 THR A 7 38.351 32.176 23.291 1.00 0.00 O ATOM 120 CG2 THR A 7 37.523 31.047 21.328 1.00 0.00 C ATOM 0 H THR A 7 37.018 33.819 21.500 1.00 0.00 H new ATOM 0 HA THR A 7 35.104 31.864 22.641 1.00 0.00 H new ATOM 0 HB THR A 7 36.994 30.632 23.371 1.00 0.00 H new ATOM 0 HG1 THR A 7 39.169 31.803 22.900 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.380 30.373 21.335 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.656 30.527 20.921 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.749 31.915 20.709 1.00 0.00 H new ATOM 128 N LEU A 8 35.885 32.491 25.175 1.00 0.00 N ATOM 129 CA LEU A 8 35.833 33.127 26.484 1.00 0.00 C ATOM 130 C LEU A 8 37.196 33.707 26.859 1.00 0.00 C ATOM 131 O LEU A 8 37.300 34.503 27.791 1.00 0.00 O ATOM 132 CB LEU A 8 35.390 32.115 27.545 1.00 0.00 C ATOM 133 CG LEU A 8 34.239 31.262 27.000 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.745 30.305 28.091 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.086 32.170 26.562 1.00 0.00 C ATOM 0 H LEU A 8 35.856 31.472 25.193 1.00 0.00 H new ATOM 0 HA LEU A 8 35.109 33.941 26.440 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.228 31.476 27.824 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.073 32.636 28.448 1.00 0.00 H new ATOM 0 HG LEU A 8 34.594 30.687 26.145 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.927 29.700 27.701 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.562 29.654 28.401 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.394 30.880 28.948 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.270 31.560 26.175 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.734 32.748 27.416 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.433 32.848 25.783 1.00 0.00 H new ATOM 147 N THR A 9 38.241 33.304 26.132 1.00 0.00 N ATOM 148 CA THR A 9 39.592 33.799 26.409 1.00 0.00 C ATOM 149 C THR A 9 39.886 35.059 25.600 1.00 0.00 C ATOM 150 O THR A 9 41.026 35.527 25.564 1.00 0.00 O ATOM 151 CB THR A 9 40.632 32.726 26.076 1.00 0.00 C ATOM 152 OG1 THR A 9 40.495 32.341 24.716 1.00 0.00 O ATOM 153 CG2 THR A 9 40.424 31.510 26.980 1.00 0.00 C ATOM 0 H THR A 9 38.180 32.644 25.356 1.00 0.00 H new ATOM 0 HA THR A 9 39.649 34.040 27.470 1.00 0.00 H new ATOM 0 HB THR A 9 41.632 33.127 26.240 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.663 32.711 24.354 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.166 30.748 26.741 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.534 31.809 28.023 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.424 31.106 26.822 1.00 0.00 H new ATOM 161 N GLY A 10 38.856 35.619 24.967 1.00 0.00 N ATOM 162 CA GLY A 10 39.033 36.836 24.184 1.00 0.00 C ATOM 163 C GLY A 10 39.865 36.569 22.938 1.00 0.00 C ATOM 164 O GLY A 10 40.453 37.486 22.365 1.00 0.00 O ATOM 0 H GLY A 10 37.904 35.254 24.981 1.00 0.00 H new ATOM 0 HA2 GLY A 10 38.059 37.232 23.897 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.520 37.597 24.794 1.00 0.00 H new ATOM 168 N LYS A 11 39.898 35.311 22.512 1.00 0.00 N ATOM 169 CA LYS A 11 40.649 34.937 21.319 1.00 0.00 C ATOM 170 C LYS A 11 39.770 35.092 20.087 1.00 0.00 C ATOM 171 O LYS A 11 38.621 34.645 20.078 1.00 0.00 O ATOM 172 CB LYS A 11 41.110 33.480 21.421 1.00 0.00 C ATOM 173 CG LYS A 11 42.146 33.173 20.317 1.00 0.00 C ATOM 174 CD LYS A 11 43.556 33.492 20.822 1.00 0.00 C ATOM 175 CE LYS A 11 44.576 33.201 19.721 1.00 0.00 C ATOM 176 NZ LYS A 11 44.515 34.276 18.692 1.00 0.00 N ATOM 0 H LYS A 11 39.417 34.538 22.971 1.00 0.00 H new ATOM 0 HA LYS A 11 41.519 35.589 21.237 1.00 0.00 H new ATOM 0 HB2 LYS A 11 41.548 33.297 22.402 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.254 32.812 21.324 1.00 0.00 H new ATOM 0 HG2 LYS A 11 42.082 32.124 20.028 1.00 0.00 H new ATOM 0 HG3 LYS A 11 41.927 33.763 19.427 1.00 0.00 H new ATOM 0 HD2 LYS A 11 43.618 34.538 21.121 1.00 0.00 H new ATOM 0 HD3 LYS A 11 43.780 32.895 21.706 1.00 0.00 H new ATOM 0 HE2 LYS A 11 45.579 33.145 20.145 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.368 32.233 19.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 45.315 34.174 18.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 43.622 34.201 18.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 44.565 35.205 19.157 1.00 0.00 H new ATOM 190 N THR A 12 40.317 35.711 19.040 1.00 0.00 N ATOM 191 CA THR A 12 39.580 35.905 17.791 1.00 0.00 C ATOM 192 C THR A 12 40.290 35.176 16.662 1.00 0.00 C ATOM 193 O THR A 12 41.464 35.420 16.386 1.00 0.00 O ATOM 194 CB THR A 12 39.481 37.392 17.446 1.00 0.00 C ATOM 195 OG1 THR A 12 38.815 38.077 18.498 1.00 0.00 O ATOM 196 CG2 THR A 12 38.687 37.556 16.145 1.00 0.00 C ATOM 0 H THR A 12 41.266 36.086 19.032 1.00 0.00 H new ATOM 0 HA THR A 12 38.574 35.505 17.918 1.00 0.00 H new ATOM 0 HB THR A 12 40.481 37.807 17.319 1.00 0.00 H new ATOM 0 HG1 THR A 12 38.752 39.030 18.279 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.613 38.614 15.895 1.00 0.00 H new ATOM 0 HG22 THR A 12 39.196 37.027 15.339 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.686 37.144 16.275 1.00 0.00 H new ATOM 204 N ILE A 13 39.562 34.279 16.013 1.00 0.00 N ATOM 205 CA ILE A 13 40.113 33.506 14.902 1.00 0.00 C ATOM 206 C ILE A 13 39.129 33.466 13.748 1.00 0.00 C ATOM 207 O ILE A 13 37.916 33.413 13.953 1.00 0.00 O ATOM 208 CB ILE A 13 40.440 32.085 15.356 1.00 0.00 C ATOM 209 CG1 ILE A 13 41.127 31.335 14.213 1.00 0.00 C ATOM 210 CG2 ILE A 13 39.150 31.363 15.738 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.731 30.036 14.746 1.00 0.00 C ATOM 0 H ILE A 13 38.589 34.066 16.234 1.00 0.00 H new ATOM 0 HA ILE A 13 41.030 33.990 14.566 1.00 0.00 H new ATOM 0 HB ILE A 13 41.104 32.120 16.220 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.408 31.117 13.423 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.906 31.957 13.772 1.00 0.00 H new ATOM 0 HG21 ILE A 13 39.383 30.349 16.062 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.659 31.900 16.550 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.485 31.324 14.875 1.00 0.00 H new ATOM 0 HD11 ILE A 13 42.220 29.501 13.932 1.00 0.00 H new ATOM 0 HD12 ILE A 13 42.462 30.266 15.521 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.941 29.413 15.166 1.00 0.00 H new ATOM 223 N THR A 14 39.658 33.498 12.533 1.00 0.00 N ATOM 224 CA THR A 14 38.814 33.471 11.343 1.00 0.00 C ATOM 225 C THR A 14 38.653 32.043 10.835 1.00 0.00 C ATOM 226 O THR A 14 39.614 31.275 10.774 1.00 0.00 O ATOM 227 CB THR A 14 39.422 34.363 10.247 1.00 0.00 C ATOM 228 OG1 THR A 14 40.838 34.303 10.328 1.00 0.00 O ATOM 229 CG2 THR A 14 38.955 35.812 10.443 1.00 0.00 C ATOM 0 H THR A 14 40.659 33.542 12.344 1.00 0.00 H new ATOM 0 HA THR A 14 37.828 33.856 11.604 1.00 0.00 H new ATOM 0 HB THR A 14 39.097 34.012 9.268 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.230 34.869 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.387 36.442 9.665 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.868 35.855 10.382 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.278 36.169 11.421 1.00 0.00 H new ATOM 237 N LEU A 15 37.418 31.702 10.478 1.00 0.00 N ATOM 238 CA LEU A 15 37.086 30.373 9.976 1.00 0.00 C ATOM 239 C LEU A 15 36.545 30.471 8.546 1.00 0.00 C ATOM 240 O LEU A 15 35.762 31.374 8.232 1.00 0.00 O ATOM 241 CB LEU A 15 36.012 29.757 10.906 1.00 0.00 C ATOM 242 CG LEU A 15 36.337 28.292 11.242 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.399 28.242 12.345 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.061 27.594 11.729 1.00 0.00 C ATOM 0 H LEU A 15 36.622 32.337 10.528 1.00 0.00 H new ATOM 0 HA LEU A 15 37.977 29.745 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.948 30.338 11.826 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.036 29.814 10.425 1.00 0.00 H new ATOM 0 HG LEU A 15 36.717 27.788 10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 15 37.628 27.203 12.582 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.304 28.744 12.002 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.022 28.743 13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.284 26.554 11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.687 28.100 12.619 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.304 27.631 10.945 1.00 0.00 H new ATOM 256 N GLU A 16 36.934 29.515 7.701 1.00 0.00 N ATOM 257 CA GLU A 16 36.454 29.466 6.319 1.00 0.00 C ATOM 258 C GLU A 16 35.430 28.344 6.205 1.00 0.00 C ATOM 259 O GLU A 16 35.740 27.184 6.471 1.00 0.00 O ATOM 260 CB GLU A 16 37.611 29.208 5.349 1.00 0.00 C ATOM 261 CG GLU A 16 38.637 30.337 5.456 1.00 0.00 C ATOM 262 CD GLU A 16 39.904 29.961 4.694 1.00 0.00 C ATOM 263 OE1 GLU A 16 40.711 29.233 5.249 1.00 0.00 O ATOM 264 OE2 GLU A 16 40.048 30.404 3.566 1.00 0.00 O ATOM 0 H GLU A 16 37.579 28.765 7.949 1.00 0.00 H new ATOM 0 HA GLU A 16 36.002 30.424 6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.083 28.252 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.234 29.142 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.219 31.259 5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.874 30.526 6.503 1.00 0.00 H new ATOM 271 N VAL A 17 34.206 28.699 5.825 1.00 0.00 N ATOM 272 CA VAL A 17 33.137 27.703 5.705 1.00 0.00 C ATOM 273 C VAL A 17 32.169 28.043 4.580 1.00 0.00 C ATOM 274 O VAL A 17 32.168 29.156 4.054 1.00 0.00 O ATOM 275 CB VAL A 17 32.382 27.569 7.047 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.359 27.720 8.216 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.312 28.655 7.169 1.00 0.00 C ATOM 0 H VAL A 17 33.928 29.654 5.597 1.00 0.00 H new ATOM 0 HA VAL A 17 33.600 26.748 5.458 1.00 0.00 H new ATOM 0 HB VAL A 17 31.913 26.585 7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.818 27.624 9.157 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.122 26.944 8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.834 28.700 8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.790 28.546 8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.783 29.637 7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.599 28.557 6.350 1.00 0.00 H new ATOM 287 N GLU A 18 31.321 27.073 4.236 1.00 0.00 N ATOM 288 CA GLU A 18 30.319 27.258 3.195 1.00 0.00 C ATOM 289 C GLU A 18 28.982 27.584 3.861 1.00 0.00 C ATOM 290 O GLU A 18 28.727 27.135 4.979 1.00 0.00 O ATOM 291 CB GLU A 18 30.192 25.967 2.375 1.00 0.00 C ATOM 292 CG GLU A 18 31.567 25.566 1.838 1.00 0.00 C ATOM 293 CD GLU A 18 32.103 26.655 0.916 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.775 27.546 1.411 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.834 26.584 -0.272 1.00 0.00 O ATOM 0 H GLU A 18 31.311 26.149 4.667 1.00 0.00 H new ATOM 0 HA GLU A 18 30.609 28.072 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.785 25.168 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.496 26.115 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.258 25.406 2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.494 24.623 1.297 1.00 0.00 H new ATOM 302 N PRO A 19 28.133 28.349 3.226 1.00 0.00 N ATOM 303 CA PRO A 19 26.814 28.723 3.814 1.00 0.00 C ATOM 304 C PRO A 19 25.922 27.502 4.015 1.00 0.00 C ATOM 305 O PRO A 19 24.899 27.575 4.696 1.00 0.00 O ATOM 306 CB PRO A 19 26.219 29.699 2.784 1.00 0.00 C ATOM 307 CG PRO A 19 26.905 29.362 1.502 1.00 0.00 C ATOM 308 CD PRO A 19 28.317 28.940 1.890 1.00 0.00 C ATOM 0 HA PRO A 19 26.907 29.166 4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.139 29.576 2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.400 30.735 3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.386 28.559 0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.923 30.220 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.731 28.220 1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.999 29.790 1.915 1.00 0.00 H new ATOM 316 N SER A 20 26.306 26.380 3.402 1.00 0.00 N ATOM 317 CA SER A 20 25.530 25.145 3.498 1.00 0.00 C ATOM 318 C SER A 20 26.210 24.129 4.414 1.00 0.00 C ATOM 319 O SER A 20 25.777 22.980 4.497 1.00 0.00 O ATOM 320 CB SER A 20 25.374 24.542 2.103 1.00 0.00 C ATOM 321 OG SER A 20 26.661 24.367 1.522 1.00 0.00 O ATOM 0 H SER A 20 27.150 26.303 2.834 1.00 0.00 H new ATOM 0 HA SER A 20 24.555 25.385 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.856 23.585 2.163 1.00 0.00 H new ATOM 0 HB3 SER A 20 24.765 25.195 1.478 1.00 0.00 H new ATOM 0 HG SER A 20 26.566 23.979 0.627 1.00 0.00 H new ATOM 327 N ASP A 21 27.265 24.549 5.109 1.00 0.00 N ATOM 328 CA ASP A 21 27.967 23.654 6.015 1.00 0.00 C ATOM 329 C ASP A 21 27.069 23.293 7.192 1.00 0.00 C ATOM 330 O ASP A 21 26.255 24.103 7.635 1.00 0.00 O ATOM 331 CB ASP A 21 29.252 24.340 6.514 1.00 0.00 C ATOM 332 CG ASP A 21 30.369 24.209 5.475 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.196 23.458 4.531 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.384 24.859 5.644 1.00 0.00 O ATOM 0 H ASP A 21 27.647 25.494 5.061 1.00 0.00 H new ATOM 0 HA ASP A 21 28.231 22.737 5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.055 25.393 6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.569 23.891 7.455 1.00 0.00 H new ATOM 339 N THR A 22 27.223 22.070 7.697 1.00 0.00 N ATOM 340 CA THR A 22 26.423 21.613 8.829 1.00 0.00 C ATOM 341 C THR A 22 27.110 21.983 10.134 1.00 0.00 C ATOM 342 O THR A 22 28.337 22.051 10.200 1.00 0.00 O ATOM 343 CB THR A 22 26.230 20.096 8.765 1.00 0.00 C ATOM 344 OG1 THR A 22 27.464 19.450 9.045 1.00 0.00 O ATOM 345 CG2 THR A 22 25.747 19.697 7.369 1.00 0.00 C ATOM 0 H THR A 22 27.889 21.384 7.343 1.00 0.00 H new ATOM 0 HA THR A 22 25.448 22.098 8.783 1.00 0.00 H new ATOM 0 HB THR A 22 25.486 19.794 9.503 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.341 18.479 9.006 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.610 18.616 7.326 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.799 20.191 7.157 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.487 19.999 6.628 1.00 0.00 H new ATOM 353 N ILE A 23 26.319 22.218 11.169 1.00 0.00 N ATOM 354 CA ILE A 23 26.883 22.577 12.462 1.00 0.00 C ATOM 355 C ILE A 23 27.887 21.519 12.901 1.00 0.00 C ATOM 356 O ILE A 23 28.786 21.790 13.691 1.00 0.00 O ATOM 357 CB ILE A 23 25.776 22.706 13.510 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.613 23.526 12.941 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.327 23.405 14.755 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.132 24.836 12.336 1.00 0.00 C ATOM 0 H ILE A 23 25.301 22.168 11.142 1.00 0.00 H new ATOM 0 HA ILE A 23 27.390 23.537 12.367 1.00 0.00 H new ATOM 0 HB ILE A 23 25.420 21.711 13.776 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.090 22.948 12.179 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.891 23.742 13.729 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.537 23.496 15.501 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.149 22.820 15.167 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.688 24.398 14.485 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.295 25.408 11.936 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.634 25.419 13.108 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.836 24.613 11.534 1.00 0.00 H new ATOM 372 N GLU A 24 27.739 20.316 12.361 1.00 0.00 N ATOM 373 CA GLU A 24 28.649 19.226 12.691 1.00 0.00 C ATOM 374 C GLU A 24 29.999 19.448 12.013 1.00 0.00 C ATOM 375 O GLU A 24 31.037 19.519 12.671 1.00 0.00 O ATOM 376 CB GLU A 24 28.045 17.895 12.237 1.00 0.00 C ATOM 377 CG GLU A 24 26.844 17.554 13.124 1.00 0.00 C ATOM 378 CD GLU A 24 26.189 16.263 12.644 1.00 0.00 C ATOM 379 OE1 GLU A 24 25.996 16.129 11.447 1.00 0.00 O ATOM 380 OE2 GLU A 24 25.888 15.428 13.482 1.00 0.00 O ATOM 0 H GLU A 24 27.004 20.071 11.698 1.00 0.00 H new ATOM 0 HA GLU A 24 28.799 19.200 13.770 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.734 17.961 11.194 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.792 17.104 12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.166 17.445 14.160 1.00 0.00 H new ATOM 0 HG3 GLU A 24 26.121 18.369 13.100 1.00 0.00 H new ATOM 387 N ASN A 25 29.971 19.557 10.693 1.00 0.00 N ATOM 388 CA ASN A 25 31.194 19.772 9.926 1.00 0.00 C ATOM 389 C ASN A 25 31.962 20.980 10.462 1.00 0.00 C ATOM 390 O ASN A 25 33.183 20.938 10.618 1.00 0.00 O ATOM 391 CB ASN A 25 30.844 20.002 8.455 1.00 0.00 C ATOM 392 CG ASN A 25 32.114 20.096 7.615 1.00 0.00 C ATOM 393 OD1 ASN A 25 33.165 19.595 8.016 1.00 0.00 O ATOM 394 ND2 ASN A 25 32.077 20.710 6.464 1.00 0.00 N ATOM 0 H ASN A 25 29.121 19.501 10.131 1.00 0.00 H new ATOM 0 HA ASN A 25 31.823 18.887 10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.219 19.186 8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.263 20.919 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 25 32.920 20.776 5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 25 31.205 21.124 6.135 1.00 0.00 H new ATOM 401 N VAL A 26 31.242 22.059 10.743 1.00 0.00 N ATOM 402 CA VAL A 26 31.878 23.269 11.255 1.00 0.00 C ATOM 403 C VAL A 26 32.537 22.993 12.606 1.00 0.00 C ATOM 404 O VAL A 26 33.647 23.451 12.873 1.00 0.00 O ATOM 405 CB VAL A 26 30.853 24.398 11.385 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.542 25.644 11.932 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.262 24.718 10.007 1.00 0.00 C ATOM 0 H VAL A 26 30.231 22.123 10.628 1.00 0.00 H new ATOM 0 HA VAL A 26 32.648 23.579 10.549 1.00 0.00 H new ATOM 0 HB VAL A 26 30.057 24.087 12.061 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.815 26.450 12.026 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.968 25.424 12.911 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.336 25.949 11.251 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.532 25.522 10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.060 25.029 9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.773 23.830 9.606 1.00 0.00 H new ATOM 417 N LYS A 27 31.860 22.230 13.456 1.00 0.00 N ATOM 418 CA LYS A 27 32.418 21.900 14.760 1.00 0.00 C ATOM 419 C LYS A 27 33.715 21.136 14.559 1.00 0.00 C ATOM 420 O LYS A 27 34.688 21.322 15.288 1.00 0.00 O ATOM 421 CB LYS A 27 31.422 21.060 15.570 1.00 0.00 C ATOM 422 CG LYS A 27 30.388 21.975 16.238 1.00 0.00 C ATOM 423 CD LYS A 27 29.279 21.126 16.866 1.00 0.00 C ATOM 424 CE LYS A 27 28.489 21.974 17.864 1.00 0.00 C ATOM 425 NZ LYS A 27 27.442 21.134 18.513 1.00 0.00 N ATOM 0 H LYS A 27 30.939 21.834 13.270 1.00 0.00 H new ATOM 0 HA LYS A 27 32.616 22.816 15.316 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.920 20.346 14.917 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.952 20.482 16.327 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.868 22.586 17.002 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.964 22.659 15.503 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.615 20.745 16.090 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.710 20.261 17.369 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.160 22.385 18.619 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.027 22.819 17.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.916 21.707 19.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.786 20.776 17.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.892 20.332 18.999 1.00 0.00 H new ATOM 439 N ALA A 28 33.720 20.283 13.551 1.00 0.00 N ATOM 440 CA ALA A 28 34.894 19.497 13.231 1.00 0.00 C ATOM 441 C ALA A 28 36.074 20.418 12.930 1.00 0.00 C ATOM 442 O ALA A 28 37.210 20.136 13.312 1.00 0.00 O ATOM 443 CB ALA A 28 34.579 18.623 12.021 1.00 0.00 C ATOM 0 H ALA A 28 32.921 20.118 12.939 1.00 0.00 H new ATOM 0 HA ALA A 28 35.163 18.866 14.078 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.454 18.024 11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.744 17.963 12.256 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.314 19.256 11.174 1.00 0.00 H new ATOM 449 N LYS A 29 35.784 21.534 12.263 1.00 0.00 N ATOM 450 CA LYS A 29 36.826 22.509 11.937 1.00 0.00 C ATOM 451 C LYS A 29 37.417 23.077 13.228 1.00 0.00 C ATOM 452 O LYS A 29 38.631 23.276 13.348 1.00 0.00 O ATOM 453 CB LYS A 29 36.254 23.663 11.098 1.00 0.00 C ATOM 454 CG LYS A 29 35.631 23.125 9.808 1.00 0.00 C ATOM 455 CD LYS A 29 35.230 24.296 8.900 1.00 0.00 C ATOM 456 CE LYS A 29 34.765 23.754 7.549 1.00 0.00 C ATOM 457 NZ LYS A 29 34.518 24.891 6.623 1.00 0.00 N ATOM 0 H LYS A 29 34.849 21.785 11.941 1.00 0.00 H new ATOM 0 HA LYS A 29 37.600 22.003 11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.503 24.203 11.675 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.045 24.374 10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.341 22.479 9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.757 22.517 10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.433 24.875 9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.075 24.970 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 29 35.520 23.088 7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 29 33.855 23.167 7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.685 24.584 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 33.534 25.212 6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.162 25.674 6.855 1.00 0.00 H new ATOM 471 N ILE A 30 36.543 23.318 14.196 1.00 0.00 N ATOM 472 CA ILE A 30 36.961 23.850 15.479 1.00 0.00 C ATOM 473 C ILE A 30 37.841 22.848 16.207 1.00 0.00 C ATOM 474 O ILE A 30 38.858 23.217 16.787 1.00 0.00 O ATOM 475 CB ILE A 30 35.724 24.191 16.314 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.909 25.282 15.599 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.146 24.688 17.692 1.00 0.00 C ATOM 478 CD1 ILE A 30 35.742 26.566 15.405 1.00 0.00 C ATOM 0 H ILE A 30 35.540 23.152 14.114 1.00 0.00 H new ATOM 0 HA ILE A 30 37.545 24.757 15.321 1.00 0.00 H new ATOM 0 HB ILE A 30 35.113 23.296 16.431 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.575 24.913 14.630 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.015 25.510 16.179 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.260 24.928 18.279 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.718 23.911 18.200 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.762 25.580 17.584 1.00 0.00 H new ATOM 0 HD11 ILE A 30 35.138 27.318 14.897 1.00 0.00 H new ATOM 0 HD12 ILE A 30 36.054 26.947 16.377 1.00 0.00 H new ATOM 0 HD13 ILE A 30 36.623 26.341 14.804 1.00 0.00 H new ATOM 490 N GLN A 31 37.452 21.582 16.171 1.00 0.00 N ATOM 491 CA GLN A 31 38.230 20.544 16.834 1.00 0.00 C ATOM 492 C GLN A 31 39.620 20.441 16.218 1.00 0.00 C ATOM 493 O GLN A 31 40.620 20.374 16.926 1.00 0.00 O ATOM 494 CB GLN A 31 37.524 19.194 16.703 1.00 0.00 C ATOM 495 CG GLN A 31 38.315 18.126 17.469 1.00 0.00 C ATOM 496 CD GLN A 31 37.586 16.789 17.415 1.00 0.00 C ATOM 497 OE1 GLN A 31 37.445 16.116 18.436 1.00 0.00 O ATOM 498 NE2 GLN A 31 37.115 16.358 16.277 1.00 0.00 N ATOM 0 H GLN A 31 36.613 21.250 15.696 1.00 0.00 H new ATOM 0 HA GLN A 31 38.323 20.809 17.887 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.510 19.262 17.096 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.440 18.916 15.652 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.311 18.023 17.038 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.446 18.435 18.506 1.00 0.00 H new ATOM 0 HE21 GLN A 31 37.233 16.917 15.432 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.629 15.462 16.233 1.00 0.00 H new ATOM 507 N ASP A 32 39.667 20.403 14.896 1.00 0.00 N ATOM 508 CA ASP A 32 40.936 20.277 14.191 1.00 0.00 C ATOM 509 C ASP A 32 41.917 21.378 14.593 1.00 0.00 C ATOM 510 O ASP A 32 43.122 21.137 14.680 1.00 0.00 O ATOM 511 CB ASP A 32 40.698 20.331 12.681 1.00 0.00 C ATOM 512 CG ASP A 32 39.943 19.085 12.228 1.00 0.00 C ATOM 513 OD1 ASP A 32 39.934 18.118 12.973 1.00 0.00 O ATOM 514 OD2 ASP A 32 39.384 19.116 11.145 1.00 0.00 O ATOM 0 H ASP A 32 38.848 20.457 14.291 1.00 0.00 H new ATOM 0 HA ASP A 32 41.374 19.317 14.465 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.128 21.225 12.426 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.651 20.400 12.156 1.00 0.00 H new ATOM 519 N LYS A 33 41.412 22.593 14.810 1.00 0.00 N ATOM 520 CA LYS A 33 42.285 23.718 15.170 1.00 0.00 C ATOM 521 C LYS A 33 42.495 23.862 16.685 1.00 0.00 C ATOM 522 O LYS A 33 43.599 24.185 17.125 1.00 0.00 O ATOM 523 CB LYS A 33 41.697 25.020 14.623 1.00 0.00 C ATOM 524 CG LYS A 33 41.545 24.913 13.104 1.00 0.00 C ATOM 525 CD LYS A 33 41.053 26.250 12.543 1.00 0.00 C ATOM 526 CE LYS A 33 40.586 26.061 11.098 1.00 0.00 C ATOM 527 NZ LYS A 33 41.708 25.524 10.277 1.00 0.00 N ATOM 0 H LYS A 33 40.421 22.825 14.745 1.00 0.00 H new ATOM 0 HA LYS A 33 43.259 23.511 14.726 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.728 25.216 15.083 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.345 25.859 14.876 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.499 24.646 12.651 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.840 24.120 12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.235 26.633 13.153 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.853 26.989 12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.738 25.377 11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 33 40.244 27.011 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 41.490 25.648 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 42.583 26.036 10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 41.835 24.512 10.482 1.00 0.00 H new ATOM 541 N GLU A 34 41.442 23.660 17.483 1.00 0.00 N ATOM 542 CA GLU A 34 41.555 23.818 18.944 1.00 0.00 C ATOM 543 C GLU A 34 41.708 22.477 19.669 1.00 0.00 C ATOM 544 O GLU A 34 42.070 22.445 20.845 1.00 0.00 O ATOM 545 CB GLU A 34 40.315 24.539 19.479 1.00 0.00 C ATOM 546 CG GLU A 34 40.139 25.869 18.743 1.00 0.00 C ATOM 547 CD GLU A 34 38.886 26.583 19.245 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.991 25.904 19.720 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.841 27.798 19.145 1.00 0.00 O ATOM 0 H GLU A 34 40.515 23.391 17.154 1.00 0.00 H new ATOM 0 HA GLU A 34 42.454 24.403 19.137 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.431 23.916 19.341 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.417 24.715 20.550 1.00 0.00 H new ATOM 0 HG2 GLU A 34 41.014 26.499 18.900 1.00 0.00 H new ATOM 0 HG3 GLU A 34 40.062 25.693 17.670 1.00 0.00 H new ATOM 556 N GLY A 35 41.474 21.375 18.967 1.00 0.00 N ATOM 557 CA GLY A 35 41.628 20.048 19.569 1.00 0.00 C ATOM 558 C GLY A 35 40.652 19.813 20.727 1.00 0.00 C ATOM 559 O GLY A 35 40.785 18.834 21.462 1.00 0.00 O ATOM 0 H GLY A 35 41.180 21.368 17.990 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.472 19.286 18.806 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.650 19.933 19.930 1.00 0.00 H new ATOM 563 N ILE A 36 39.672 20.700 20.888 1.00 0.00 N ATOM 564 CA ILE A 36 38.691 20.557 21.960 1.00 0.00 C ATOM 565 C ILE A 36 37.521 19.669 21.498 1.00 0.00 C ATOM 566 O ILE A 36 36.792 20.051 20.582 1.00 0.00 O ATOM 567 CB ILE A 36 38.164 21.939 22.340 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.343 22.847 22.694 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.243 21.811 23.548 1.00 0.00 C ATOM 570 CD1 ILE A 36 38.840 24.265 22.974 1.00 0.00 C ATOM 0 H ILE A 36 39.537 21.519 20.295 1.00 0.00 H new ATOM 0 HA ILE A 36 39.166 20.089 22.822 1.00 0.00 H new ATOM 0 HB ILE A 36 37.611 22.366 21.503 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.864 22.457 23.568 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.062 22.861 21.874 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.864 22.795 23.823 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.407 21.157 23.300 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.798 21.389 24.386 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.684 24.907 23.226 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.339 24.655 22.088 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.139 24.244 23.808 1.00 0.00 H new ATOM 582 N PRO A 37 37.316 18.501 22.085 1.00 0.00 N ATOM 583 CA PRO A 37 36.202 17.600 21.667 1.00 0.00 C ATOM 584 C PRO A 37 34.881 18.366 21.469 1.00 0.00 C ATOM 585 O PRO A 37 34.393 19.008 22.399 1.00 0.00 O ATOM 586 CB PRO A 37 36.092 16.608 22.832 1.00 0.00 C ATOM 587 CG PRO A 37 37.480 16.516 23.371 1.00 0.00 C ATOM 588 CD PRO A 37 38.101 17.906 23.186 1.00 0.00 C ATOM 0 HA PRO A 37 36.395 17.121 20.707 1.00 0.00 H new ATOM 0 HB2 PRO A 37 35.393 16.961 23.591 1.00 0.00 H new ATOM 0 HB3 PRO A 37 35.731 15.636 22.494 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.471 16.230 24.423 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.055 15.758 22.839 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.027 18.501 24.096 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.159 17.841 22.933 1.00 0.00 H new ATOM 596 N PRO A 38 34.288 18.311 20.295 1.00 0.00 N ATOM 597 CA PRO A 38 32.999 19.011 20.012 1.00 0.00 C ATOM 598 C PRO A 38 31.971 18.832 21.125 1.00 0.00 C ATOM 599 O PRO A 38 31.187 19.737 21.407 1.00 0.00 O ATOM 600 CB PRO A 38 32.519 18.356 18.719 1.00 0.00 C ATOM 601 CG PRO A 38 33.773 17.986 18.010 1.00 0.00 C ATOM 602 CD PRO A 38 34.775 17.601 19.101 1.00 0.00 C ATOM 0 HA PRO A 38 33.132 20.090 19.935 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.903 17.480 18.921 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.914 19.042 18.126 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.604 17.155 17.325 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.145 18.820 17.414 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.799 16.523 19.259 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.788 17.907 18.839 1.00 0.00 H new ATOM 610 N ASP A 39 31.973 17.657 21.748 1.00 0.00 N ATOM 611 CA ASP A 39 31.029 17.372 22.821 1.00 0.00 C ATOM 612 C ASP A 39 31.235 18.319 23.998 1.00 0.00 C ATOM 613 O ASP A 39 30.415 18.364 24.916 1.00 0.00 O ATOM 614 CB ASP A 39 31.202 15.928 23.295 1.00 0.00 C ATOM 615 CG ASP A 39 30.080 15.560 24.258 1.00 0.00 C ATOM 616 OD1 ASP A 39 29.072 16.249 24.253 1.00 0.00 O ATOM 617 OD2 ASP A 39 30.244 14.597 24.989 1.00 0.00 O ATOM 0 H ASP A 39 32.613 16.893 21.530 1.00 0.00 H new ATOM 0 HA ASP A 39 30.021 17.515 22.432 1.00 0.00 H new ATOM 0 HB2 ASP A 39 31.195 15.252 22.440 1.00 0.00 H new ATOM 0 HB3 ASP A 39 32.168 15.811 23.786 1.00 0.00 H new ATOM 622 N GLN A 40 32.336 19.070 23.978 1.00 0.00 N ATOM 623 CA GLN A 40 32.645 20.011 25.056 1.00 0.00 C ATOM 624 C GLN A 40 32.385 21.449 24.619 1.00 0.00 C ATOM 625 O GLN A 40 32.442 22.369 25.436 1.00 0.00 O ATOM 626 CB GLN A 40 34.116 19.871 25.454 1.00 0.00 C ATOM 627 CG GLN A 40 34.325 18.551 26.196 1.00 0.00 C ATOM 628 CD GLN A 40 35.782 18.424 26.629 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.541 17.657 26.039 1.00 0.00 O ATOM 630 NE2 GLN A 40 36.221 19.136 27.630 1.00 0.00 N ATOM 0 H GLN A 40 33.028 19.046 23.229 1.00 0.00 H new ATOM 0 HA GLN A 40 32.001 19.779 25.904 1.00 0.00 H new ATOM 0 HB2 GLN A 40 34.748 19.904 24.566 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.412 20.707 26.088 1.00 0.00 H new ATOM 0 HG2 GLN A 40 33.672 18.507 27.068 1.00 0.00 H new ATOM 0 HG3 GLN A 40 34.054 17.715 25.552 1.00 0.00 H new ATOM 0 HE21 GLN A 40 35.591 19.772 28.119 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.195 19.057 27.924 1.00 0.00 H new ATOM 639 N GLN A 41 32.122 21.649 23.327 1.00 0.00 N ATOM 640 CA GLN A 41 31.884 22.996 22.796 1.00 0.00 C ATOM 641 C GLN A 41 30.454 23.164 22.296 1.00 0.00 C ATOM 642 O GLN A 41 29.867 22.249 21.718 1.00 0.00 O ATOM 643 CB GLN A 41 32.845 23.264 21.636 1.00 0.00 C ATOM 644 CG GLN A 41 34.285 23.049 22.102 1.00 0.00 C ATOM 645 CD GLN A 41 35.236 23.185 20.919 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.852 24.235 20.733 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.396 22.178 20.103 1.00 0.00 N ATOM 0 H GLN A 41 32.068 20.904 22.632 1.00 0.00 H new ATOM 0 HA GLN A 41 32.050 23.705 23.607 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.619 22.599 20.802 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.718 24.284 21.274 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.541 23.778 22.871 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.388 22.061 22.551 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.885 21.309 20.259 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.032 22.260 19.310 1.00 0.00 H new ATOM 656 N ARG A 42 29.919 24.364 22.507 1.00 0.00 N ATOM 657 CA ARG A 42 28.569 24.713 22.069 1.00 0.00 C ATOM 658 C ARG A 42 28.638 26.041 21.319 1.00 0.00 C ATOM 659 O ARG A 42 29.340 26.959 21.744 1.00 0.00 O ATOM 660 CB ARG A 42 27.641 24.845 23.286 1.00 0.00 C ATOM 661 CG ARG A 42 27.498 23.484 23.998 1.00 0.00 C ATOM 662 CD ARG A 42 26.365 22.670 23.361 1.00 0.00 C ATOM 663 NE ARG A 42 26.218 21.383 24.038 1.00 0.00 N ATOM 664 CZ ARG A 42 25.680 20.335 23.419 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.551 19.198 24.048 1.00 0.00 N ATOM 666 NH2 ARG A 42 25.281 20.443 22.181 1.00 0.00 N ATOM 0 H ARG A 42 30.407 25.121 22.985 1.00 0.00 H new ATOM 0 HA ARG A 42 28.173 23.935 21.417 1.00 0.00 H new ATOM 0 HB2 ARG A 42 28.041 25.586 23.979 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.661 25.202 22.968 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.435 22.931 23.932 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.293 23.639 25.057 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.430 23.228 23.420 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.574 22.510 22.303 1.00 0.00 H new ATOM 0 HE ARG A 42 26.534 21.286 25.003 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.863 19.112 25.015 1.00 0.00 H new ATOM 0 HH12 ARG A 42 25.138 18.396 23.572 1.00 0.00 H new ATOM 0 HH21 ARG A 42 25.382 21.330 21.688 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.869 19.640 21.706 1.00 0.00 H new ATOM 680 N LEU A 43 27.923 26.144 20.198 1.00 0.00 N ATOM 681 CA LEU A 43 27.935 27.373 19.394 1.00 0.00 C ATOM 682 C LEU A 43 26.588 28.090 19.474 1.00 0.00 C ATOM 683 O LEU A 43 25.539 27.486 19.243 1.00 0.00 O ATOM 684 CB LEU A 43 28.239 27.026 17.934 1.00 0.00 C ATOM 685 CG LEU A 43 29.469 26.112 17.854 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.791 25.822 16.384 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.673 26.797 18.515 1.00 0.00 C ATOM 0 H LEU A 43 27.332 25.400 19.826 1.00 0.00 H new ATOM 0 HA LEU A 43 28.706 28.035 19.788 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.379 26.531 17.483 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.417 27.938 17.365 1.00 0.00 H new ATOM 0 HG LEU A 43 29.258 25.178 18.376 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.665 25.173 16.324 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.939 25.329 15.915 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.998 26.758 15.865 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.542 26.142 18.455 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.887 27.733 18.000 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.446 27.002 19.561 1.00 0.00 H new ATOM 699 N ILE A 44 26.622 29.385 19.811 1.00 0.00 N ATOM 700 CA ILE A 44 25.394 30.182 19.931 1.00 0.00 C ATOM 701 C ILE A 44 25.459 31.442 19.063 1.00 0.00 C ATOM 702 O ILE A 44 26.511 32.075 18.929 1.00 0.00 O ATOM 703 CB ILE A 44 25.176 30.578 21.397 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.464 29.361 22.294 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.727 31.045 21.591 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.888 29.585 23.696 1.00 0.00 C ATOM 0 H ILE A 44 27.480 29.901 20.004 1.00 0.00 H new ATOM 0 HA ILE A 44 24.560 29.572 19.583 1.00 0.00 H new ATOM 0 HB ILE A 44 25.849 31.392 21.666 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.028 28.465 21.853 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.539 29.194 22.358 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.572 31.326 22.633 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.533 31.905 20.950 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.046 30.236 21.328 1.00 0.00 H new ATOM 0 HD11 ILE A 44 25.099 28.716 24.319 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.345 30.470 24.140 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.810 29.729 23.628 1.00 0.00 H new ATOM 718 N PHE A 45 24.309 31.796 18.491 1.00 0.00 N ATOM 719 CA PHE A 45 24.183 32.980 17.641 1.00 0.00 C ATOM 720 C PHE A 45 22.767 33.527 17.776 1.00 0.00 C ATOM 721 O PHE A 45 21.817 32.759 17.903 1.00 0.00 O ATOM 722 CB PHE A 45 24.448 32.616 16.178 1.00 0.00 C ATOM 723 CG PHE A 45 24.336 33.851 15.310 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.434 34.709 15.167 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.137 34.133 14.641 1.00 0.00 C ATOM 726 CE1 PHE A 45 25.333 35.848 14.357 1.00 0.00 C ATOM 727 CE2 PHE A 45 23.037 35.273 13.832 1.00 0.00 C ATOM 728 CZ PHE A 45 24.135 36.129 13.689 1.00 0.00 C ATOM 0 H PHE A 45 23.441 31.272 18.603 1.00 0.00 H new ATOM 0 HA PHE A 45 24.912 33.729 17.952 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.442 32.179 16.077 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.734 31.862 15.847 1.00 0.00 H new ATOM 0 HD1 PHE A 45 26.359 34.493 15.681 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.290 33.472 14.749 1.00 0.00 H new ATOM 0 HE1 PHE A 45 26.180 36.509 14.248 1.00 0.00 H new ATOM 0 HE2 PHE A 45 22.112 35.491 13.319 1.00 0.00 H new ATOM 0 HZ PHE A 45 24.058 37.006 13.064 1.00 0.00 H new ATOM 738 N ALA A 46 22.618 34.845 17.764 1.00 0.00 N ATOM 739 CA ALA A 46 21.291 35.429 17.907 1.00 0.00 C ATOM 740 C ALA A 46 20.601 34.823 19.128 1.00 0.00 C ATOM 741 O ALA A 46 19.391 34.591 19.132 1.00 0.00 O ATOM 742 CB ALA A 46 20.465 35.162 16.648 1.00 0.00 C ATOM 0 H ALA A 46 23.379 35.516 17.659 1.00 0.00 H new ATOM 0 HA ALA A 46 21.381 36.507 18.043 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.474 35.602 16.763 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.962 35.607 15.786 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.369 34.087 16.497 1.00 0.00 H new ATOM 748 N GLY A 47 21.399 34.590 20.168 1.00 0.00 N ATOM 749 CA GLY A 47 20.906 34.035 21.425 1.00 0.00 C ATOM 750 C GLY A 47 20.342 32.618 21.284 1.00 0.00 C ATOM 751 O GLY A 47 19.755 32.098 22.232 1.00 0.00 O ATOM 0 H GLY A 47 22.401 34.780 20.163 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.718 34.024 22.152 1.00 0.00 H new ATOM 0 HA3 GLY A 47 20.130 34.689 21.823 1.00 0.00 H new ATOM 755 N LYS A 48 20.514 31.987 20.117 1.00 0.00 N ATOM 756 CA LYS A 48 19.998 30.619 19.910 1.00 0.00 C ATOM 757 C LYS A 48 21.127 29.621 19.676 1.00 0.00 C ATOM 758 O LYS A 48 22.101 29.915 18.983 1.00 0.00 O ATOM 759 CB LYS A 48 19.057 30.576 18.706 1.00 0.00 C ATOM 760 CG LYS A 48 17.830 31.447 18.969 1.00 0.00 C ATOM 761 CD LYS A 48 16.842 31.270 17.815 1.00 0.00 C ATOM 762 CE LYS A 48 15.641 32.193 18.015 1.00 0.00 C ATOM 763 NZ LYS A 48 14.976 31.871 19.309 1.00 0.00 N ATOM 0 H LYS A 48 20.996 32.388 19.312 1.00 0.00 H new ATOM 0 HA LYS A 48 19.461 30.343 20.817 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.578 30.927 17.815 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.749 29.549 18.512 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.362 31.165 19.912 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.122 32.493 19.058 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.331 31.495 16.867 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.511 30.233 17.764 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.964 33.234 18.009 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.936 32.073 17.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.007 32.250 19.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.944 30.839 19.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.512 32.299 20.091 1.00 0.00 H new ATOM 777 N GLN A 49 20.968 28.426 20.244 1.00 0.00 N ATOM 778 CA GLN A 49 21.950 27.367 20.090 1.00 0.00 C ATOM 779 C GLN A 49 21.764 26.663 18.746 1.00 0.00 C ATOM 780 O GLN A 49 20.638 26.355 18.352 1.00 0.00 O ATOM 781 CB GLN A 49 21.782 26.349 21.215 1.00 0.00 C ATOM 782 CG GLN A 49 22.207 26.969 22.546 1.00 0.00 C ATOM 783 CD GLN A 49 21.783 26.068 23.704 1.00 0.00 C ATOM 784 OE1 GLN A 49 22.218 24.920 23.790 1.00 0.00 O ATOM 785 NE2 GLN A 49 20.953 26.523 24.604 1.00 0.00 N ATOM 0 H GLN A 49 20.163 28.172 20.816 1.00 0.00 H new ATOM 0 HA GLN A 49 22.947 27.805 20.130 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.743 26.024 21.271 1.00 0.00 H new ATOM 0 HB3 GLN A 49 22.383 25.463 21.008 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.288 27.110 22.562 1.00 0.00 H new ATOM 0 HG3 GLN A 49 21.755 27.955 22.658 1.00 0.00 H new ATOM 0 HE21 GLN A 49 20.593 27.475 24.531 1.00 0.00 H new ATOM 0 HE22 GLN A 49 20.664 25.927 25.380 1.00 0.00 H new ATOM 794 N LEU A 50 22.863 26.422 18.040 1.00 0.00 N ATOM 795 CA LEU A 50 22.789 25.763 16.737 1.00 0.00 C ATOM 796 C LEU A 50 22.596 24.256 16.904 1.00 0.00 C ATOM 797 O LEU A 50 23.345 23.597 17.625 1.00 0.00 O ATOM 798 CB LEU A 50 24.059 26.050 15.934 1.00 0.00 C ATOM 799 CG LEU A 50 24.384 27.547 16.009 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.594 27.852 15.123 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.177 28.365 15.526 1.00 0.00 C ATOM 0 H LEU A 50 23.806 26.669 18.341 1.00 0.00 H new ATOM 0 HA LEU A 50 21.930 26.159 16.196 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.891 25.466 16.328 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.921 25.748 14.896 1.00 0.00 H new ATOM 0 HG LEU A 50 24.611 27.814 17.041 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.825 28.916 15.176 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.453 27.276 15.469 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.367 27.581 14.092 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.412 29.428 15.581 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.945 28.098 14.495 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.316 28.151 16.159 1.00 0.00 H new ATOM 813 N GLU A 51 21.569 23.726 16.238 1.00 0.00 N ATOM 814 CA GLU A 51 21.253 22.297 16.320 1.00 0.00 C ATOM 815 C GLU A 51 22.080 21.473 15.335 1.00 0.00 C ATOM 816 O GLU A 51 22.359 21.895 14.207 1.00 0.00 O ATOM 817 CB GLU A 51 19.758 22.077 16.040 1.00 0.00 C ATOM 818 CG GLU A 51 18.948 22.362 17.307 1.00 0.00 C ATOM 819 CD GLU A 51 17.458 22.208 17.020 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.989 21.082 17.019 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.809 23.218 16.804 1.00 0.00 O ATOM 0 H GLU A 51 20.943 24.262 15.637 1.00 0.00 H new ATOM 0 HA GLU A 51 21.499 21.963 17.328 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.429 22.731 15.232 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.587 21.052 15.710 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.246 21.677 18.101 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.156 23.371 17.662 1.00 0.00 H new ATOM 828 N ASP A 52 22.449 20.277 15.772 1.00 0.00 N ATOM 829 CA ASP A 52 23.225 19.378 14.946 1.00 0.00 C ATOM 830 C ASP A 52 22.388 18.871 13.774 1.00 0.00 C ATOM 831 O ASP A 52 21.191 18.620 13.917 1.00 0.00 O ATOM 832 CB ASP A 52 23.711 18.193 15.784 1.00 0.00 C ATOM 833 CG ASP A 52 24.594 18.690 16.925 1.00 0.00 C ATOM 834 OD1 ASP A 52 25.171 19.755 16.780 1.00 0.00 O ATOM 835 OD2 ASP A 52 24.679 17.999 17.926 1.00 0.00 O ATOM 0 H ASP A 52 22.220 19.911 16.696 1.00 0.00 H new ATOM 0 HA ASP A 52 24.084 19.921 14.553 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.858 17.646 16.185 1.00 0.00 H new ATOM 0 HB3 ASP A 52 24.269 17.498 15.157 1.00 0.00 H new ATOM 840 N GLY A 53 23.029 18.712 12.619 1.00 0.00 N ATOM 841 CA GLY A 53 22.340 18.221 11.428 1.00 0.00 C ATOM 842 C GLY A 53 21.742 19.362 10.608 1.00 0.00 C ATOM 843 O GLY A 53 21.291 19.148 9.482 1.00 0.00 O ATOM 0 H GLY A 53 24.019 18.915 12.482 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.039 17.657 10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.549 17.532 11.724 1.00 0.00 H new ATOM 847 N ARG A 54 21.747 20.580 11.159 1.00 0.00 N ATOM 848 CA ARG A 54 21.204 21.733 10.432 1.00 0.00 C ATOM 849 C ARG A 54 22.310 22.468 9.678 1.00 0.00 C ATOM 850 O ARG A 54 23.485 22.361 10.025 1.00 0.00 O ATOM 851 CB ARG A 54 20.527 22.700 11.405 1.00 0.00 C ATOM 852 CG ARG A 54 19.352 22.001 12.099 1.00 0.00 C ATOM 853 CD ARG A 54 18.406 23.048 12.692 1.00 0.00 C ATOM 854 NE ARG A 54 17.604 23.655 11.637 1.00 0.00 N ATOM 855 CZ ARG A 54 16.517 24.362 11.923 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.794 24.869 10.962 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.177 24.556 13.168 1.00 0.00 N ATOM 0 H ARG A 54 22.113 20.792 12.087 1.00 0.00 H new ATOM 0 HA ARG A 54 20.471 21.364 9.715 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.246 23.046 12.147 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.173 23.581 10.869 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.816 21.375 11.386 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.721 21.343 12.886 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.755 22.583 13.432 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.980 23.816 13.210 1.00 0.00 H new ATOM 0 HE ARG A 54 17.882 23.535 10.663 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.064 24.722 9.989 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.959 25.412 11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.746 24.165 13.919 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.342 25.099 13.390 1.00 0.00 H new ATOM 871 N THR A 55 21.925 23.219 8.646 1.00 0.00 N ATOM 872 CA THR A 55 22.887 23.985 7.846 1.00 0.00 C ATOM 873 C THR A 55 22.898 25.437 8.311 1.00 0.00 C ATOM 874 O THR A 55 21.941 25.895 8.931 1.00 0.00 O ATOM 875 CB THR A 55 22.498 23.928 6.367 1.00 0.00 C ATOM 876 OG1 THR A 55 21.127 24.274 6.228 1.00 0.00 O ATOM 877 CG2 THR A 55 22.727 22.514 5.826 1.00 0.00 C ATOM 0 H THR A 55 20.956 23.315 8.343 1.00 0.00 H new ATOM 0 HA THR A 55 23.880 23.553 7.974 1.00 0.00 H new ATOM 0 HB THR A 55 23.112 24.631 5.804 1.00 0.00 H new ATOM 0 HG1 THR A 55 21.050 25.107 5.718 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.449 22.478 4.773 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.779 22.250 5.933 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.116 21.806 6.387 1.00 0.00 H new ATOM 885 N LEU A 56 23.969 26.168 8.011 1.00 0.00 N ATOM 886 CA LEU A 56 24.038 27.566 8.424 1.00 0.00 C ATOM 887 C LEU A 56 22.890 28.350 7.785 1.00 0.00 C ATOM 888 O LEU A 56 22.289 29.206 8.434 1.00 0.00 O ATOM 889 CB LEU A 56 25.405 28.187 8.052 1.00 0.00 C ATOM 890 CG LEU A 56 26.441 27.937 9.167 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.857 26.462 9.168 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.672 28.821 8.924 1.00 0.00 C ATOM 0 H LEU A 56 24.781 25.827 7.497 1.00 0.00 H new ATOM 0 HA LEU A 56 23.939 27.617 9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.761 27.758 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.291 29.259 7.889 1.00 0.00 H new ATOM 0 HG LEU A 56 26.000 28.183 10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.589 26.291 9.957 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.981 25.837 9.343 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.297 26.207 8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.406 28.647 9.711 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.111 28.576 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.374 29.870 8.932 1.00 0.00 H new ATOM 904 N SER A 57 22.591 28.066 6.514 1.00 0.00 N ATOM 905 CA SER A 57 21.511 28.769 5.825 1.00 0.00 C ATOM 906 C SER A 57 20.259 28.792 6.690 1.00 0.00 C ATOM 907 O SER A 57 19.513 29.771 6.688 1.00 0.00 O ATOM 908 CB SER A 57 21.188 28.086 4.495 1.00 0.00 C ATOM 909 OG SER A 57 20.651 26.794 4.748 1.00 0.00 O ATOM 0 H SER A 57 23.074 27.366 5.951 1.00 0.00 H new ATOM 0 HA SER A 57 21.841 29.790 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.474 28.685 3.930 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.089 28.005 3.886 1.00 0.00 H new ATOM 0 HG SER A 57 20.442 26.354 3.897 1.00 0.00 H new ATOM 915 N ASP A 58 20.036 27.716 7.440 1.00 0.00 N ATOM 916 CA ASP A 58 18.874 27.645 8.313 1.00 0.00 C ATOM 917 C ASP A 58 18.876 28.850 9.243 1.00 0.00 C ATOM 918 O ASP A 58 17.843 29.478 9.478 1.00 0.00 O ATOM 919 CB ASP A 58 18.920 26.355 9.137 1.00 0.00 C ATOM 920 CG ASP A 58 18.948 25.140 8.212 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.895 25.334 7.009 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.022 24.034 8.722 1.00 0.00 O ATOM 0 H ASP A 58 20.638 26.892 7.460 1.00 0.00 H new ATOM 0 HA ASP A 58 17.965 27.647 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.802 26.355 9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.051 26.302 9.793 1.00 0.00 H new ATOM 927 N TYR A 59 20.062 29.167 9.755 1.00 0.00 N ATOM 928 CA TYR A 59 20.251 30.302 10.655 1.00 0.00 C ATOM 929 C TYR A 59 20.882 31.464 9.889 1.00 0.00 C ATOM 930 O TYR A 59 22.050 31.387 9.541 1.00 0.00 O ATOM 931 CB TYR A 59 21.194 29.892 11.790 1.00 0.00 C ATOM 932 CG TYR A 59 20.576 28.773 12.596 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.988 27.448 12.392 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.597 29.062 13.550 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.417 26.415 13.146 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.026 28.030 14.303 1.00 0.00 C ATOM 937 CZ TYR A 59 19.436 26.706 14.101 1.00 0.00 C ATOM 938 OH TYR A 59 18.873 25.689 14.845 1.00 0.00 O ATOM 0 H TYR A 59 20.917 28.647 9.559 1.00 0.00 H new ATOM 0 HA TYR A 59 19.286 30.607 11.059 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.151 29.570 11.380 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.394 30.748 12.435 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.745 27.225 11.654 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.281 30.083 13.706 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.734 25.394 12.991 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.269 28.254 15.040 1.00 0.00 H new ATOM 0 HH TYR A 59 18.210 26.063 15.462 1.00 0.00 H new ATOM 948 N ASN A 60 20.081 32.490 9.574 1.00 0.00 N ATOM 949 CA ASN A 60 20.551 33.649 8.785 1.00 0.00 C ATOM 950 C ASN A 60 21.883 34.245 9.285 1.00 0.00 C ATOM 951 O ASN A 60 21.941 35.401 9.707 1.00 0.00 O ATOM 952 CB ASN A 60 19.480 34.746 8.773 1.00 0.00 C ATOM 953 CG ASN A 60 18.255 34.275 7.992 1.00 0.00 C ATOM 954 OD1 ASN A 60 18.383 33.504 7.040 1.00 0.00 O ATOM 955 ND2 ASN A 60 17.068 34.697 8.337 1.00 0.00 N ATOM 0 H ASN A 60 19.101 32.546 9.852 1.00 0.00 H new ATOM 0 HA ASN A 60 20.732 33.272 7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.195 34.998 9.794 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.882 35.653 8.321 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.246 34.388 7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.963 35.335 9.126 1.00 0.00 H new ATOM 962 N ILE A 61 22.944 33.447 9.204 1.00 0.00 N ATOM 963 CA ILE A 61 24.287 33.865 9.605 1.00 0.00 C ATOM 964 C ILE A 61 25.058 34.317 8.365 1.00 0.00 C ATOM 965 O ILE A 61 25.492 33.485 7.570 1.00 0.00 O ATOM 966 CB ILE A 61 25.026 32.682 10.241 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.331 32.262 11.538 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.473 33.077 10.545 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.905 30.918 12.000 1.00 0.00 C ATOM 0 H ILE A 61 22.898 32.489 8.857 1.00 0.00 H new ATOM 0 HA ILE A 61 24.214 34.681 10.324 1.00 0.00 H new ATOM 0 HB ILE A 61 25.016 31.846 9.542 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.480 33.019 12.307 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.256 32.177 11.379 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.993 32.233 10.997 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.975 33.360 9.620 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.483 33.921 11.235 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.415 30.611 12.924 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.733 30.165 11.231 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.976 31.020 12.174 1.00 0.00 H new ATOM 981 N GLN A 62 25.204 35.629 8.179 1.00 0.00 N ATOM 982 CA GLN A 62 25.902 36.144 6.995 1.00 0.00 C ATOM 983 C GLN A 62 27.409 36.233 7.201 1.00 0.00 C ATOM 984 O GLN A 62 27.920 36.027 8.302 1.00 0.00 O ATOM 985 CB GLN A 62 25.364 37.522 6.615 1.00 0.00 C ATOM 986 CG GLN A 62 23.890 37.407 6.228 1.00 0.00 C ATOM 987 CD GLN A 62 23.382 38.748 5.711 1.00 0.00 C ATOM 988 OE1 GLN A 62 24.120 39.733 5.709 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.159 38.845 5.268 1.00 0.00 N ATOM 0 H GLN A 62 24.857 36.345 8.818 1.00 0.00 H new ATOM 0 HA GLN A 62 25.714 35.435 6.189 1.00 0.00 H new ATOM 0 HB2 GLN A 62 25.478 38.212 7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 62 25.938 37.931 5.784 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.765 36.641 5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.302 37.094 7.091 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.549 38.027 5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.812 39.739 4.919 1.00 0.00 H new ATOM 998 N LYS A 63 28.108 36.516 6.105 1.00 0.00 N ATOM 999 CA LYS A 63 29.561 36.603 6.131 1.00 0.00 C ATOM 1000 C LYS A 63 30.049 37.728 7.038 1.00 0.00 C ATOM 1001 O LYS A 63 29.390 38.756 7.199 1.00 0.00 O ATOM 1002 CB LYS A 63 30.121 36.786 4.712 1.00 0.00 C ATOM 1003 CG LYS A 63 29.637 38.100 4.088 1.00 0.00 C ATOM 1004 CD LYS A 63 30.203 38.204 2.665 1.00 0.00 C ATOM 1005 CE LYS A 63 29.721 39.493 1.994 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.254 39.410 1.750 1.00 0.00 N ATOM 0 H LYS A 63 27.691 36.688 5.190 1.00 0.00 H new ATOM 0 HA LYS A 63 29.931 35.663 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.210 36.776 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.813 35.948 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.548 38.129 4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.966 38.948 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.292 38.188 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.889 37.341 2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.947 40.351 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.249 39.644 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.974 40.142 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.018 38.472 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.744 39.558 2.644 1.00 0.00 H new ATOM 1020 N GLU A 64 31.227 37.508 7.613 1.00 0.00 N ATOM 1021 CA GLU A 64 31.858 38.479 8.499 1.00 0.00 C ATOM 1022 C GLU A 64 30.967 38.834 9.689 1.00 0.00 C ATOM 1023 O GLU A 64 30.549 39.983 9.845 1.00 0.00 O ATOM 1024 CB GLU A 64 32.222 39.738 7.711 1.00 0.00 C ATOM 1025 CG GLU A 64 33.280 39.376 6.666 1.00 0.00 C ATOM 1026 CD GLU A 64 33.595 40.582 5.788 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.017 41.629 6.024 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.410 40.438 4.891 1.00 0.00 O ATOM 0 H GLU A 64 31.769 36.655 7.478 1.00 0.00 H new ATOM 0 HA GLU A 64 32.764 38.025 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 64 31.337 40.149 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.603 40.507 8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.188 39.033 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.923 38.552 6.048 1.00 0.00 H new HETATM 1035 N SEP A 65 30.720 37.844 10.551 1.00 0.00 N HETATM 1036 CA SEP A 65 29.923 38.037 11.764 1.00 0.00 C HETATM 1037 CB SEP A 65 28.542 37.402 11.599 1.00 0.00 C HETATM 1038 OG SEP A 65 27.844 38.055 10.542 1.00 0.00 O HETATM 1039 C SEP A 65 30.658 37.392 12.935 1.00 0.00 C HETATM 1040 O SEP A 65 31.506 36.523 12.724 1.00 0.00 O HETATM 1041 P SEP A 65 27.033 39.335 10.817 1.00 0.00 P HETATM 1042 O1P SEP A 65 28.098 40.466 11.024 1.00 0.00 O HETATM 1043 O2P SEP A 65 26.195 39.028 12.105 1.00 0.00 O HETATM 1044 O3P SEP A 65 26.150 39.546 9.540 1.00 0.00 O HETATM 0 HB3 SEP A 65 28.642 36.339 11.381 1.00 0.00 H new HETATM 0 HB2 SEP A 65 27.978 37.485 12.528 1.00 0.00 H new HETATM 0 HA SEP A 65 29.788 39.103 11.949 1.00 0.00 H new ATOM 1049 N THR A 66 30.347 37.797 14.165 1.00 0.00 N ATOM 1050 CA THR A 66 31.014 37.213 15.333 1.00 0.00 C ATOM 1051 C THR A 66 30.171 36.089 15.929 1.00 0.00 C ATOM 1052 O THR A 66 29.025 36.301 16.324 1.00 0.00 O ATOM 1053 CB THR A 66 31.258 38.289 16.395 1.00 0.00 C ATOM 1054 OG1 THR A 66 31.974 39.368 15.810 1.00 0.00 O ATOM 1055 CG2 THR A 66 32.080 37.695 17.542 1.00 0.00 C ATOM 0 H THR A 66 29.652 38.512 14.380 1.00 0.00 H new ATOM 0 HA THR A 66 31.970 36.802 15.009 1.00 0.00 H new ATOM 0 HB THR A 66 30.304 38.648 16.780 1.00 0.00 H new ATOM 0 HG1 THR A 66 32.131 40.061 16.485 1.00 0.00 H new ATOM 0 HG21 THR A 66 32.254 38.460 18.299 1.00 0.00 H new ATOM 0 HG22 THR A 66 31.535 36.862 17.987 1.00 0.00 H new ATOM 0 HG23 THR A 66 33.036 37.340 17.158 1.00 0.00 H new ATOM 1063 N LEU A 67 30.756 34.891 16.000 1.00 0.00 N ATOM 1064 CA LEU A 67 30.064 33.728 16.558 1.00 0.00 C ATOM 1065 C LEU A 67 30.462 33.550 18.023 1.00 0.00 C ATOM 1066 O LEU A 67 31.607 33.819 18.389 1.00 0.00 O ATOM 1067 CB LEU A 67 30.446 32.473 15.761 1.00 0.00 C ATOM 1068 CG LEU A 67 29.641 31.259 16.253 1.00 0.00 C ATOM 1069 CD1 LEU A 67 28.141 31.463 15.971 1.00 0.00 C ATOM 1070 CD2 LEU A 67 30.141 30.002 15.528 1.00 0.00 C ATOM 0 H LEU A 67 31.705 34.702 15.679 1.00 0.00 H new ATOM 0 HA LEU A 67 28.987 33.881 16.494 1.00 0.00 H new ATOM 0 HB2 LEU A 67 30.257 32.637 14.700 1.00 0.00 H new ATOM 0 HB3 LEU A 67 31.513 32.277 15.868 1.00 0.00 H new ATOM 0 HG LEU A 67 29.779 31.145 17.328 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.583 30.596 16.324 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.791 32.356 16.490 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.985 31.582 14.899 1.00 0.00 H new ATOM 0 HD21 LEU A 67 29.576 29.135 15.871 1.00 0.00 H new ATOM 0 HD22 LEU A 67 30.004 30.123 14.453 1.00 0.00 H new ATOM 0 HD23 LEU A 67 31.199 29.854 15.744 1.00 0.00 H new ATOM 1082 N HIS A 68 29.530 33.095 18.868 1.00 0.00 N ATOM 1083 CA HIS A 68 29.832 32.898 20.284 1.00 0.00 C ATOM 1084 C HIS A 68 30.219 31.441 20.553 1.00 0.00 C ATOM 1085 O HIS A 68 29.429 30.529 20.305 1.00 0.00 O ATOM 1086 CB HIS A 68 28.610 33.263 21.128 1.00 0.00 C ATOM 1087 CG HIS A 68 28.281 34.719 20.932 1.00 0.00 C ATOM 1088 ND1 HIS A 68 29.116 35.732 21.379 1.00 0.00 N ATOM 1089 CD2 HIS A 68 27.213 35.347 20.340 1.00 0.00 C ATOM 1090 CE1 HIS A 68 28.542 36.904 21.052 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.380 36.727 20.418 1.00 0.00 N ATOM 0 H HIS A 68 28.575 32.860 18.598 1.00 0.00 H new ATOM 0 HA HIS A 68 30.670 33.541 20.553 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.759 32.645 20.841 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.809 33.063 22.181 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.372 34.847 19.883 1.00 0.00 H new ATOM 0 HE1 HIS A 68 28.969 37.871 21.275 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.750 37.448 20.066 1.00 0.00 H new ATOM 1100 N LEU A 69 31.434 31.220 21.070 1.00 0.00 N ATOM 1101 CA LEU A 69 31.907 29.887 21.375 1.00 0.00 C ATOM 1102 C LEU A 69 31.964 29.717 22.877 1.00 0.00 C ATOM 1103 O LEU A 69 32.772 30.342 23.565 1.00 0.00 O ATOM 1104 CB LEU A 69 33.297 29.680 20.766 1.00 0.00 C ATOM 1105 CG LEU A 69 33.793 28.231 21.031 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.481 27.675 19.779 1.00 0.00 C ATOM 1107 CD2 LEU A 69 34.793 28.222 22.197 1.00 0.00 C ATOM 0 H LEU A 69 32.103 31.960 21.283 1.00 0.00 H new ATOM 0 HA LEU A 69 31.228 29.147 20.952 1.00 0.00 H new ATOM 0 HB2 LEU A 69 33.263 29.869 19.693 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.999 30.396 21.194 1.00 0.00 H new ATOM 0 HG LEU A 69 32.933 27.610 21.282 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.825 26.659 19.974 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.774 27.666 18.949 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.333 28.304 19.522 1.00 0.00 H new ATOM 0 HD21 LEU A 69 35.135 27.202 22.375 1.00 0.00 H new ATOM 0 HD22 LEU A 69 35.647 28.853 21.949 1.00 0.00 H new ATOM 0 HD23 LEU A 69 34.308 28.604 23.095 1.00 0.00 H new ATOM 1119 N VAL A 70 31.083 28.873 23.372 1.00 0.00 N ATOM 1120 CA VAL A 70 30.990 28.594 24.804 1.00 0.00 C ATOM 1121 C VAL A 70 31.209 27.108 25.060 1.00 0.00 C ATOM 1122 O VAL A 70 30.872 26.267 24.228 1.00 0.00 O ATOM 1123 CB VAL A 70 29.614 29.018 25.320 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.570 28.885 26.842 1.00 0.00 C ATOM 1125 CG2 VAL A 70 29.353 30.476 24.929 1.00 0.00 C ATOM 0 H VAL A 70 30.411 28.359 22.803 1.00 0.00 H new ATOM 0 HA VAL A 70 31.760 29.158 25.331 1.00 0.00 H new ATOM 0 HB VAL A 70 28.850 28.377 24.880 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.588 29.188 27.205 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.757 27.848 27.122 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.334 29.524 27.285 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.373 30.781 25.295 1.00 0.00 H new ATOM 0 HG22 VAL A 70 30.120 31.114 25.369 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.381 30.572 23.844 1.00 0.00 H new ATOM 1135 N LEU A 71 31.785 26.793 26.210 1.00 0.00 N ATOM 1136 CA LEU A 71 32.052 25.405 26.560 1.00 0.00 C ATOM 1137 C LEU A 71 30.763 24.676 26.903 1.00 0.00 C ATOM 1138 O LEU A 71 29.670 25.230 26.786 1.00 0.00 O ATOM 1139 CB LEU A 71 33.015 25.332 27.744 1.00 0.00 C ATOM 1140 CG LEU A 71 34.157 26.341 27.562 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.268 26.041 28.573 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.725 26.246 26.138 1.00 0.00 C ATOM 0 H LEU A 71 32.075 27.473 26.913 1.00 0.00 H new ATOM 0 HA LEU A 71 32.508 24.921 25.696 1.00 0.00 H new ATOM 0 HB2 LEU A 71 32.480 25.541 28.671 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.421 24.324 27.830 1.00 0.00 H new ATOM 0 HG LEU A 71 33.771 27.347 27.725 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.080 26.757 28.445 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.870 26.121 29.585 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.645 25.032 28.410 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.535 26.966 26.020 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.107 25.240 25.965 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.937 26.464 25.417 1.00 0.00 H new ATOM 1154 N ARG A 72 30.901 23.426 27.325 1.00 0.00 N ATOM 1155 CA ARG A 72 29.740 22.621 27.684 1.00 0.00 C ATOM 1156 C ARG A 72 28.809 23.414 28.595 1.00 0.00 C ATOM 1157 O ARG A 72 27.589 23.267 28.535 1.00 0.00 O ATOM 1158 CB ARG A 72 30.190 21.346 28.397 1.00 0.00 C ATOM 1159 CG ARG A 72 29.013 20.375 28.508 1.00 0.00 C ATOM 1160 CD ARG A 72 29.420 19.179 29.370 1.00 0.00 C ATOM 1161 NE ARG A 72 28.305 18.249 29.502 1.00 0.00 N ATOM 1162 CZ ARG A 72 28.433 17.114 30.181 1.00 0.00 C ATOM 1163 NH1 ARG A 72 27.419 16.300 30.289 1.00 0.00 N ATOM 1164 NH2 ARG A 72 29.573 16.814 30.741 1.00 0.00 N ATOM 0 H ARG A 72 31.797 22.950 27.427 1.00 0.00 H new ATOM 0 HA ARG A 72 29.204 22.356 26.773 1.00 0.00 H new ATOM 0 HB2 ARG A 72 31.008 20.880 27.848 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.570 21.588 29.390 1.00 0.00 H new ATOM 0 HG2 ARG A 72 28.152 20.878 28.948 1.00 0.00 H new ATOM 0 HG3 ARG A 72 28.712 20.037 27.517 1.00 0.00 H new ATOM 0 HD2 ARG A 72 30.274 18.672 28.921 1.00 0.00 H new ATOM 0 HD3 ARG A 72 29.735 19.522 30.355 1.00 0.00 H new ATOM 0 HE ARG A 72 27.411 18.474 29.065 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.528 16.535 29.852 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.518 15.429 30.810 1.00 0.00 H new ATOM 0 HH21 ARG A 72 30.365 17.451 30.657 1.00 0.00 H new ATOM 0 HH22 ARG A 72 29.672 15.943 31.262 1.00 0.00 H new ATOM 1178 N LEU A 73 29.397 24.259 29.437 1.00 0.00 N ATOM 1179 CA LEU A 73 28.613 25.075 30.355 1.00 0.00 C ATOM 1180 C LEU A 73 27.708 26.026 29.574 1.00 0.00 C ATOM 1181 O LEU A 73 28.067 26.496 28.494 1.00 0.00 O ATOM 1182 CB LEU A 73 29.547 25.876 31.278 1.00 0.00 C ATOM 1183 CG LEU A 73 30.042 24.988 32.426 1.00 0.00 C ATOM 1184 CD1 LEU A 73 30.739 23.747 31.864 1.00 0.00 C ATOM 1185 CD2 LEU A 73 31.030 25.776 33.290 1.00 0.00 C ATOM 0 H LEU A 73 30.406 24.395 29.502 1.00 0.00 H new ATOM 0 HA LEU A 73 27.991 24.419 30.964 1.00 0.00 H new ATOM 0 HB2 LEU A 73 30.396 26.255 30.709 1.00 0.00 H new ATOM 0 HB3 LEU A 73 29.020 26.742 31.679 1.00 0.00 H new ATOM 0 HG LEU A 73 29.189 24.678 33.030 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.088 23.122 32.686 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.037 23.182 31.251 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.590 24.052 31.254 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.383 25.146 34.106 1.00 0.00 H new ATOM 0 HD22 LEU A 73 31.878 26.088 32.680 1.00 0.00 H new ATOM 0 HD23 LEU A 73 30.534 26.656 33.699 1.00 0.00 H new ATOM 1197 N ARG A 74 26.532 26.298 30.129 1.00 0.00 N ATOM 1198 CA ARG A 74 25.576 27.189 29.483 1.00 0.00 C ATOM 1199 C ARG A 74 26.088 28.627 29.488 1.00 0.00 C ATOM 1200 O ARG A 74 26.844 29.023 30.375 1.00 0.00 O ATOM 1201 CB ARG A 74 24.233 27.121 30.212 1.00 0.00 C ATOM 1202 CG ARG A 74 23.691 25.692 30.151 1.00 0.00 C ATOM 1203 CD ARG A 74 22.338 25.628 30.861 1.00 0.00 C ATOM 1204 NE ARG A 74 21.350 26.421 30.137 1.00 0.00 N ATOM 1205 CZ ARG A 74 20.105 26.543 30.586 1.00 0.00 C ATOM 1206 NH1 ARG A 74 19.239 27.257 29.920 1.00 0.00 N ATOM 1207 NH2 ARG A 74 19.749 25.949 31.692 1.00 0.00 N ATOM 0 H ARG A 74 26.219 25.916 31.021 1.00 0.00 H new ATOM 0 HA ARG A 74 25.449 26.868 28.449 1.00 0.00 H new ATOM 0 HB2 ARG A 74 24.354 27.431 31.250 1.00 0.00 H new ATOM 0 HB3 ARG A 74 23.523 27.810 29.754 1.00 0.00 H new ATOM 0 HG2 ARG A 74 23.584 25.376 29.113 1.00 0.00 H new ATOM 0 HG3 ARG A 74 24.394 25.005 30.622 1.00 0.00 H new ATOM 0 HD2 ARG A 74 22.004 24.593 30.930 1.00 0.00 H new ATOM 0 HD3 ARG A 74 22.437 26.000 31.881 1.00 0.00 H new ATOM 0 HE ARG A 74 21.619 26.890 29.272 1.00 0.00 H new ATOM 0 HH11 ARG A 74 19.518 27.721 29.055 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.283 27.351 30.264 1.00 0.00 H new ATOM 0 HH21 ARG A 74 20.426 25.391 32.212 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.794 26.043 32.036 1.00 0.00 H new ATOM 1221 N GLY A 75 25.671 29.402 28.492 1.00 0.00 N ATOM 1222 CA GLY A 75 26.095 30.794 28.391 1.00 0.00 C ATOM 1223 C GLY A 75 25.851 31.534 29.701 1.00 0.00 C ATOM 1224 O GLY A 75 26.615 32.425 30.074 1.00 0.00 O ATOM 0 H GLY A 75 25.045 29.093 27.749 1.00 0.00 H new ATOM 0 HA2 GLY A 75 27.154 30.838 28.136 1.00 0.00 H new ATOM 0 HA3 GLY A 75 25.552 31.286 27.584 1.00 0.00 H new ATOM 1228 N GLY A 76 24.782 31.160 30.397 1.00 0.00 N ATOM 1229 CA GLY A 76 24.448 31.796 31.667 1.00 0.00 C ATOM 1230 C GLY A 76 23.161 31.217 32.244 1.00 0.00 C ATOM 1231 O GLY A 76 22.139 31.325 31.587 1.00 0.00 O ATOM 1232 OXT GLY A 76 23.217 30.673 33.335 1.00 0.00 O ATOM 0 H GLY A 76 24.137 30.426 30.106 1.00 0.00 H new ATOM 0 HA2 GLY A 76 25.265 31.654 32.375 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.335 32.870 31.522 1.00 0.00 H new TER 1236 GLY A 76