USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 NoAdj-H: A 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD NoAdj-H: A 66 TPO H : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 63 LYS NZ :NH3+ -145:sc= -0.205 (180deg=-0.431) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -1.03 X(o=-1.2,f=-1.4) USER MOD Set 2.1: A 7 THR OG1 : rot 120:sc= -0.432 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.213 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.128 (180deg=-0.898) USER MOD Single : A 2 GLN : amide:sc= -0.0191 K(o=-0.019,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ -106:sc= -1 (180deg=-2.06!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0299 USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.94 USER MOD Single : A 25 ASN : amide:sc= -4.49! K(o=-4.5!,f=-1.8) USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= -2.07! (180deg=-3.84!) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc=-0.000716 (180deg=-0.19) USER MOD Single : A 31 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 41 GLN : amide:sc= -1.65 K(o=-1.6,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.0772 (180deg=-0.55) USER MOD Single : A 49 GLN : amide:sc=-0.00208 X(o=-0.0021,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.208 USER MOD Single : A 59 TYR OH : rot 81:sc= 1.2 USER MOD Single : A 60 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.3!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.877 28.248 2.025 1.00 0.00 N ATOM 2 CA MET A 1 26.676 28.694 2.787 1.00 0.00 C ATOM 3 C MET A 1 27.085 29.761 3.804 1.00 0.00 C ATOM 4 O MET A 1 28.138 29.686 4.407 1.00 0.00 O ATOM 5 CB MET A 1 26.063 27.498 3.520 1.00 0.00 C ATOM 6 CG MET A 1 25.862 26.344 2.537 1.00 0.00 C ATOM 7 SD MET A 1 24.726 26.860 1.225 1.00 0.00 S ATOM 8 CE MET A 1 24.833 25.355 0.227 1.00 0.00 C ATOM 0 H1 MET A 1 27.592 27.955 1.068 1.00 0.00 H new ATOM 0 H2 MET A 1 28.557 29.032 1.959 1.00 0.00 H new ATOM 0 H3 MET A 1 28.321 27.445 2.515 1.00 0.00 H new ATOM 0 HA MET A 1 25.942 29.112 2.097 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.715 27.185 4.336 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.109 27.781 3.965 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.819 26.047 2.108 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.462 25.474 3.058 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.197 25.456 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.865 25.199 -0.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.501 24.502 0.819 1.00 0.00 H new ATOM 20 N GLN A 2 26.260 30.753 4.001 1.00 0.00 N ATOM 21 CA GLN A 2 26.603 31.825 4.981 1.00 0.00 C ATOM 22 C GLN A 2 26.273 31.345 6.395 1.00 0.00 C ATOM 23 O GLN A 2 25.123 31.258 6.780 1.00 0.00 O ATOM 24 CB GLN A 2 25.789 33.081 4.666 1.00 0.00 C ATOM 25 CG GLN A 2 26.290 33.701 3.360 1.00 0.00 C ATOM 26 CD GLN A 2 25.350 34.830 2.935 1.00 0.00 C ATOM 27 OE1 GLN A 2 24.172 34.800 3.234 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.822 35.832 2.246 1.00 0.00 N ATOM 0 H GLN A 2 25.364 30.868 3.527 1.00 0.00 H new ATOM 0 HA GLN A 2 27.666 32.054 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 2 24.732 32.830 4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 2 25.880 33.800 5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.301 34.086 3.493 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.338 32.941 2.580 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.810 35.858 1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.203 36.590 1.958 1.00 0.00 H new ATOM 37 N ILE A 3 27.274 31.033 7.175 1.00 0.00 N ATOM 38 CA ILE A 3 27.018 30.559 8.567 1.00 0.00 C ATOM 39 C ILE A 3 26.846 31.767 9.492 1.00 0.00 C ATOM 40 O ILE A 3 27.627 32.697 9.474 1.00 0.00 O ATOM 41 CB ILE A 3 28.200 29.704 9.042 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.515 30.368 8.625 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.113 28.313 8.408 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.683 29.674 9.331 1.00 0.00 C ATOM 0 H ILE A 3 28.257 31.086 6.909 1.00 0.00 H new ATOM 0 HA ILE A 3 26.109 29.957 8.588 1.00 0.00 H new ATOM 0 HB ILE A 3 28.165 29.614 10.128 1.00 0.00 H new ATOM 0 HG12 ILE A 3 29.640 30.305 7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.498 31.427 8.882 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.953 27.706 8.746 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.179 27.836 8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.145 28.405 7.322 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.620 30.146 9.035 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.559 29.760 10.410 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.703 28.621 9.051 1.00 0.00 H new ATOM 56 N PHE A 4 25.819 31.763 10.302 1.00 0.00 N ATOM 57 CA PHE A 4 25.584 32.910 11.230 1.00 0.00 C ATOM 58 C PHE A 4 26.289 32.647 12.561 1.00 0.00 C ATOM 59 O PHE A 4 26.494 31.515 12.954 1.00 0.00 O ATOM 60 CB PHE A 4 24.081 33.063 11.473 1.00 0.00 C ATOM 61 CG PHE A 4 23.406 33.490 10.193 1.00 0.00 C ATOM 62 CD1 PHE A 4 22.902 32.524 9.312 1.00 0.00 C ATOM 63 CD2 PHE A 4 23.284 34.849 9.885 1.00 0.00 C ATOM 64 CE1 PHE A 4 22.277 32.920 8.123 1.00 0.00 C ATOM 65 CE2 PHE A 4 22.659 35.245 8.696 1.00 0.00 C ATOM 66 CZ PHE A 4 22.155 34.281 7.816 1.00 0.00 C ATOM 0 H PHE A 4 25.131 31.013 10.361 1.00 0.00 H new ATOM 0 HA PHE A 4 25.980 33.823 10.786 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.660 32.120 11.822 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.901 33.801 12.255 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.995 31.475 9.550 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.672 35.593 10.565 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.889 32.176 7.443 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.566 36.294 8.458 1.00 0.00 H new ATOM 0 HZ PHE A 4 21.672 34.587 6.900 1.00 0.00 H new ATOM 76 N VAL A 5 26.657 33.687 13.265 1.00 0.00 N ATOM 77 CA VAL A 5 27.345 33.513 14.581 1.00 0.00 C ATOM 78 C VAL A 5 26.840 34.583 15.552 1.00 0.00 C ATOM 79 O VAL A 5 27.181 35.745 15.435 1.00 0.00 O ATOM 80 CB VAL A 5 28.854 33.667 14.391 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.559 33.494 15.737 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.356 32.601 13.415 1.00 0.00 C ATOM 0 H VAL A 5 26.509 34.656 12.983 1.00 0.00 H new ATOM 0 HA VAL A 5 27.132 32.522 14.981 1.00 0.00 H new ATOM 0 HB VAL A 5 29.070 34.658 13.992 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.635 33.604 15.601 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.202 34.252 16.435 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.343 32.503 16.136 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.432 32.710 13.279 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.139 31.610 13.815 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.855 32.722 12.455 1.00 0.00 H new ATOM 92 N LYS A 6 26.029 34.205 16.508 1.00 0.00 N ATOM 93 CA LYS A 6 25.496 35.201 17.491 1.00 0.00 C ATOM 94 C LYS A 6 26.287 35.103 18.797 1.00 0.00 C ATOM 95 O LYS A 6 26.420 34.043 19.376 1.00 0.00 O ATOM 96 CB LYS A 6 24.019 34.893 17.768 1.00 0.00 C ATOM 97 CG LYS A 6 23.356 36.085 18.491 1.00 0.00 C ATOM 98 CD LYS A 6 22.848 37.122 17.467 1.00 0.00 C ATOM 99 CE LYS A 6 21.448 36.736 16.972 1.00 0.00 C ATOM 100 NZ LYS A 6 20.937 37.794 16.054 1.00 0.00 N ATOM 0 H LYS A 6 25.711 33.246 16.651 1.00 0.00 H new ATOM 0 HA LYS A 6 25.593 36.207 17.082 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.500 34.691 16.831 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.935 33.994 18.379 1.00 0.00 H new ATOM 0 HG2 LYS A 6 22.526 35.731 19.102 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.072 36.553 19.166 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.820 38.111 17.924 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.537 37.179 16.624 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.485 35.777 16.455 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.772 36.616 17.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.988 37.533 15.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.888 38.700 16.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.579 37.888 15.241 1.00 0.00 H new ATOM 114 N THR A 7 26.812 36.203 19.270 1.00 0.00 N ATOM 115 CA THR A 7 27.593 36.181 20.544 1.00 0.00 C ATOM 116 C THR A 7 26.667 36.519 21.714 1.00 0.00 C ATOM 117 O THR A 7 25.518 36.868 21.527 1.00 0.00 O ATOM 118 CB THR A 7 28.714 37.219 20.472 1.00 0.00 C ATOM 119 OG1 THR A 7 28.149 38.523 20.459 1.00 0.00 O ATOM 120 CG2 THR A 7 29.535 37.003 19.198 1.00 0.00 C ATOM 0 H THR A 7 26.734 37.119 18.828 1.00 0.00 H new ATOM 0 HA THR A 7 28.021 35.189 20.690 1.00 0.00 H new ATOM 0 HB THR A 7 29.364 37.112 21.341 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.474 39.028 21.233 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.333 37.744 19.149 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.969 36.003 19.210 1.00 0.00 H new ATOM 0 HG23 THR A 7 28.889 37.108 18.327 1.00 0.00 H new ATOM 128 N LEU A 8 27.158 36.420 22.917 1.00 0.00 N ATOM 129 CA LEU A 8 26.306 36.737 24.100 1.00 0.00 C ATOM 130 C LEU A 8 25.915 38.217 24.059 1.00 0.00 C ATOM 131 O LEU A 8 24.828 38.592 24.453 1.00 0.00 O ATOM 132 CB LEU A 8 27.093 36.441 25.382 1.00 0.00 C ATOM 133 CG LEU A 8 26.231 36.730 26.621 1.00 0.00 C ATOM 134 CD1 LEU A 8 24.979 35.834 26.623 1.00 0.00 C ATOM 135 CD2 LEU A 8 27.065 36.455 27.879 1.00 0.00 C ATOM 0 H LEU A 8 28.113 36.133 23.134 1.00 0.00 H new ATOM 0 HA LEU A 8 25.403 36.126 24.082 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.411 35.398 25.388 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.996 37.050 25.410 1.00 0.00 H new ATOM 0 HG LEU A 8 25.911 37.772 26.604 1.00 0.00 H new ATOM 0 HD11 LEU A 8 24.378 36.050 27.507 1.00 0.00 H new ATOM 0 HD12 LEU A 8 24.390 36.030 25.727 1.00 0.00 H new ATOM 0 HD13 LEU A 8 25.281 34.787 26.637 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.464 36.657 28.765 1.00 0.00 H new ATOM 0 HD22 LEU A 8 27.382 35.412 27.885 1.00 0.00 H new ATOM 0 HD23 LEU A 8 27.943 37.101 27.882 1.00 0.00 H new ATOM 147 N THR A 9 26.793 39.062 23.591 1.00 0.00 N ATOM 148 CA THR A 9 26.473 40.516 23.530 1.00 0.00 C ATOM 149 C THR A 9 25.577 40.794 22.322 1.00 0.00 C ATOM 150 O THR A 9 25.159 41.911 22.090 1.00 0.00 O ATOM 151 CB THR A 9 27.769 41.320 23.398 1.00 0.00 C ATOM 152 OG1 THR A 9 28.441 40.937 22.206 1.00 0.00 O ATOM 153 CG2 THR A 9 28.668 41.043 24.604 1.00 0.00 C ATOM 0 H THR A 9 27.719 38.807 23.248 1.00 0.00 H new ATOM 0 HA THR A 9 25.954 40.810 24.442 1.00 0.00 H new ATOM 0 HB THR A 9 27.536 42.384 23.359 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.270 41.452 22.118 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.591 41.616 24.509 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.151 41.336 25.518 1.00 0.00 H new ATOM 0 HG23 THR A 9 28.904 39.980 24.645 1.00 0.00 H new ATOM 161 N GLY A 10 25.276 39.785 21.548 1.00 0.00 N ATOM 162 CA GLY A 10 24.403 39.986 20.352 1.00 0.00 C ATOM 163 C GLY A 10 25.270 40.297 19.129 1.00 0.00 C ATOM 164 O GLY A 10 24.803 40.292 18.008 1.00 0.00 O ATOM 0 H GLY A 10 25.597 38.828 21.692 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.807 39.092 20.170 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.705 40.803 20.532 1.00 0.00 H new ATOM 168 N LYS A 11 26.533 40.566 19.335 1.00 0.00 N ATOM 169 CA LYS A 11 27.424 40.874 18.178 1.00 0.00 C ATOM 170 C LYS A 11 27.219 39.816 17.091 1.00 0.00 C ATOM 171 O LYS A 11 27.575 38.666 17.255 1.00 0.00 O ATOM 172 CB LYS A 11 28.885 40.864 18.634 1.00 0.00 C ATOM 173 CG LYS A 11 29.765 41.462 17.534 1.00 0.00 C ATOM 174 CD LYS A 11 31.215 41.524 18.018 1.00 0.00 C ATOM 175 CE LYS A 11 32.073 42.233 16.968 1.00 0.00 C ATOM 176 NZ LYS A 11 32.070 41.439 15.706 1.00 0.00 N ATOM 0 H LYS A 11 26.984 40.586 20.250 1.00 0.00 H new ATOM 0 HA LYS A 11 27.180 41.860 17.782 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.994 41.438 19.554 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.202 39.845 18.854 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.698 40.856 16.630 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.414 42.461 17.275 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.270 42.056 18.968 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.594 40.517 18.194 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.685 43.234 16.781 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.093 42.350 17.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.987 40.962 15.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.312 40.728 15.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.908 42.073 14.897 1.00 0.00 H new ATOM 190 N THR A 12 26.635 40.194 15.985 1.00 0.00 N ATOM 191 CA THR A 12 26.391 39.209 14.887 1.00 0.00 C ATOM 192 C THR A 12 27.558 39.231 13.899 1.00 0.00 C ATOM 193 O THR A 12 28.099 40.271 13.581 1.00 0.00 O ATOM 194 CB THR A 12 25.101 39.580 14.151 1.00 0.00 C ATOM 195 OG1 THR A 12 24.009 39.535 15.060 1.00 0.00 O ATOM 196 CG2 THR A 12 24.859 38.592 13.010 1.00 0.00 C ATOM 0 H THR A 12 26.315 41.143 15.793 1.00 0.00 H new ATOM 0 HA THR A 12 26.300 38.211 15.315 1.00 0.00 H new ATOM 0 HB THR A 12 25.193 40.586 13.742 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.183 39.774 14.591 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.940 38.858 12.487 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.696 38.629 12.313 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.768 37.584 13.415 1.00 0.00 H new ATOM 204 N ILE A 13 27.940 38.084 13.402 1.00 0.00 N ATOM 205 CA ILE A 13 29.065 38.010 12.420 1.00 0.00 C ATOM 206 C ILE A 13 28.722 36.946 11.376 1.00 0.00 C ATOM 207 O ILE A 13 28.227 35.887 11.708 1.00 0.00 O ATOM 208 CB ILE A 13 30.357 37.622 13.141 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.578 38.552 14.337 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.539 37.746 12.177 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.892 38.188 15.032 1.00 0.00 C ATOM 0 H ILE A 13 27.517 37.186 13.636 1.00 0.00 H new ATOM 0 HA ILE A 13 29.207 38.978 11.940 1.00 0.00 H new ATOM 0 HB ILE A 13 30.278 36.593 13.491 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.606 39.589 14.004 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.748 38.464 15.038 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.459 37.469 12.692 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.386 37.082 11.326 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.615 38.775 11.825 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.049 38.850 15.883 1.00 0.00 H new ATOM 0 HD12 ILE A 13 31.846 37.156 15.379 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.718 38.298 14.329 1.00 0.00 H new ATOM 223 N THR A 14 28.976 37.217 10.118 1.00 0.00 N ATOM 224 CA THR A 14 28.662 36.222 9.042 1.00 0.00 C ATOM 225 C THR A 14 29.950 35.828 8.317 1.00 0.00 C ATOM 226 O THR A 14 30.768 36.664 7.987 1.00 0.00 O ATOM 227 CB THR A 14 27.695 36.856 8.038 1.00 0.00 C ATOM 228 OG1 THR A 14 27.354 35.899 7.043 1.00 0.00 O ATOM 229 CG2 THR A 14 28.361 38.065 7.378 1.00 0.00 C ATOM 0 H THR A 14 29.389 38.089 9.788 1.00 0.00 H new ATOM 0 HA THR A 14 28.208 35.336 9.487 1.00 0.00 H new ATOM 0 HB THR A 14 26.793 37.180 8.557 1.00 0.00 H new ATOM 0 HG1 THR A 14 26.734 36.302 6.400 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.672 38.515 6.664 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.623 38.798 8.141 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.264 37.744 6.858 1.00 0.00 H new ATOM 237 N LEU A 15 30.130 34.554 8.067 1.00 0.00 N ATOM 238 CA LEU A 15 31.360 34.074 7.359 1.00 0.00 C ATOM 239 C LEU A 15 30.936 33.253 6.139 1.00 0.00 C ATOM 240 O LEU A 15 30.308 32.221 6.262 1.00 0.00 O ATOM 241 CB LEU A 15 32.177 33.187 8.306 1.00 0.00 C ATOM 242 CG LEU A 15 32.418 33.917 9.633 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.065 32.955 10.632 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.344 35.120 9.408 1.00 0.00 C ATOM 0 H LEU A 15 29.472 33.819 8.325 1.00 0.00 H new ATOM 0 HA LEU A 15 31.965 34.925 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.648 32.251 8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 15 33.131 32.930 7.845 1.00 0.00 H new ATOM 0 HG LEU A 15 31.465 34.269 10.027 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.237 33.472 11.576 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.403 32.105 10.799 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.016 32.602 10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.510 35.633 10.355 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.298 34.775 9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.882 35.807 8.699 1.00 0.00 H new ATOM 256 N GLU A 16 31.268 33.707 4.959 1.00 0.00 N ATOM 257 CA GLU A 16 30.878 32.957 3.727 1.00 0.00 C ATOM 258 C GLU A 16 31.984 31.970 3.351 1.00 0.00 C ATOM 259 O GLU A 16 33.074 32.358 2.973 1.00 0.00 O ATOM 260 CB GLU A 16 30.666 33.946 2.579 1.00 0.00 C ATOM 261 CG GLU A 16 30.175 33.193 1.340 1.00 0.00 C ATOM 262 CD GLU A 16 29.889 34.190 0.216 1.00 0.00 C ATOM 263 OE1 GLU A 16 30.080 35.374 0.439 1.00 0.00 O ATOM 264 OE2 GLU A 16 29.484 33.753 -0.849 1.00 0.00 O ATOM 0 H GLU A 16 31.793 34.566 4.794 1.00 0.00 H new ATOM 0 HA GLU A 16 29.955 32.408 3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.939 34.705 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 16 31.598 34.466 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.926 32.472 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.273 32.629 1.578 1.00 0.00 H new ATOM 271 N VAL A 17 31.713 30.698 3.441 1.00 0.00 N ATOM 272 CA VAL A 17 32.743 29.685 3.079 1.00 0.00 C ATOM 273 C VAL A 17 32.063 28.343 2.809 1.00 0.00 C ATOM 274 O VAL A 17 31.006 28.056 3.336 1.00 0.00 O ATOM 275 CB VAL A 17 33.743 29.531 4.224 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.995 29.196 5.517 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.726 28.406 3.896 1.00 0.00 C ATOM 0 H VAL A 17 30.820 30.315 3.751 1.00 0.00 H new ATOM 0 HA VAL A 17 33.272 30.013 2.184 1.00 0.00 H new ATOM 0 HB VAL A 17 34.290 30.465 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 17 33.710 29.086 6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.297 29.999 5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.446 28.263 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.439 28.296 4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.179 27.472 3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.261 28.647 2.977 1.00 0.00 H new ATOM 287 N GLU A 18 32.657 27.524 1.984 1.00 0.00 N ATOM 288 CA GLU A 18 32.044 26.198 1.666 1.00 0.00 C ATOM 289 C GLU A 18 31.556 25.528 2.963 1.00 0.00 C ATOM 290 O GLU A 18 32.103 25.758 4.022 1.00 0.00 O ATOM 291 CB GLU A 18 33.098 25.308 0.997 1.00 0.00 C ATOM 292 CG GLU A 18 33.299 25.750 -0.455 1.00 0.00 C ATOM 293 CD GLU A 18 32.067 25.375 -1.279 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.162 26.190 -1.360 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.048 24.279 -1.815 1.00 0.00 O ATOM 0 H GLU A 18 33.542 27.715 1.514 1.00 0.00 H new ATOM 0 HA GLU A 18 31.197 26.338 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.041 25.372 1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.782 24.265 1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.465 26.826 -0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.187 25.274 -0.871 1.00 0.00 H new ATOM 302 N PRO A 19 30.530 24.708 2.886 1.00 0.00 N ATOM 303 CA PRO A 19 29.973 24.010 4.085 1.00 0.00 C ATOM 304 C PRO A 19 30.903 22.900 4.594 1.00 0.00 C ATOM 305 O PRO A 19 30.710 22.364 5.667 1.00 0.00 O ATOM 306 CB PRO A 19 28.647 23.425 3.575 1.00 0.00 C ATOM 307 CG PRO A 19 28.865 23.216 2.113 1.00 0.00 C ATOM 308 CD PRO A 19 29.786 24.352 1.660 1.00 0.00 C ATOM 0 HA PRO A 19 29.851 24.684 4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.408 22.488 4.078 1.00 0.00 H new ATOM 0 HB3 PRO A 19 27.816 24.107 3.758 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.320 22.244 1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.920 23.239 1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.457 24.030 0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.218 25.199 1.276 1.00 0.00 H new ATOM 316 N SER A 20 31.907 22.548 3.836 1.00 0.00 N ATOM 317 CA SER A 20 32.845 21.473 4.281 1.00 0.00 C ATOM 318 C SER A 20 34.032 22.100 5.017 1.00 0.00 C ATOM 319 O SER A 20 35.018 21.447 5.292 1.00 0.00 O ATOM 320 CB SER A 20 33.349 20.701 3.060 1.00 0.00 C ATOM 321 OG SER A 20 33.686 21.619 2.029 1.00 0.00 O ATOM 0 H SER A 20 32.119 22.958 2.927 1.00 0.00 H new ATOM 0 HA SER A 20 32.324 20.791 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.219 20.102 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.582 20.010 2.711 1.00 0.00 H new ATOM 0 HG SER A 20 34.011 21.127 1.246 1.00 0.00 H new ATOM 327 N ASP A 21 33.943 23.359 5.344 1.00 0.00 N ATOM 328 CA ASP A 21 35.067 24.018 6.066 1.00 0.00 C ATOM 329 C ASP A 21 35.420 23.185 7.300 1.00 0.00 C ATOM 330 O ASP A 21 34.676 22.310 7.697 1.00 0.00 O ATOM 331 CB ASP A 21 34.642 25.428 6.496 1.00 0.00 C ATOM 332 CG ASP A 21 35.881 26.276 6.789 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.952 25.704 6.910 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.738 27.484 6.886 1.00 0.00 O ATOM 0 H ASP A 21 33.143 23.959 5.143 1.00 0.00 H new ATOM 0 HA ASP A 21 35.936 24.092 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.048 25.894 5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.010 25.373 7.382 1.00 0.00 H new ATOM 339 N THR A 22 36.541 23.450 7.917 1.00 0.00 N ATOM 340 CA THR A 22 36.935 22.673 9.132 1.00 0.00 C ATOM 341 C THR A 22 36.514 23.448 10.381 1.00 0.00 C ATOM 342 O THR A 22 36.065 24.574 10.300 1.00 0.00 O ATOM 343 CB THR A 22 38.452 22.476 9.144 1.00 0.00 C ATOM 344 OG1 THR A 22 39.088 23.720 9.392 1.00 0.00 O ATOM 345 CG2 THR A 22 38.908 21.927 7.790 1.00 0.00 C ATOM 0 H THR A 22 37.203 24.172 7.633 1.00 0.00 H new ATOM 0 HA THR A 22 36.444 21.700 9.119 1.00 0.00 H new ATOM 0 HB THR A 22 38.720 21.769 9.929 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.020 23.676 9.094 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.989 21.787 7.800 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.420 20.971 7.602 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.640 22.632 7.003 1.00 0.00 H new ATOM 353 N ILE A 23 36.676 22.873 11.542 1.00 0.00 N ATOM 354 CA ILE A 23 36.304 23.599 12.784 1.00 0.00 C ATOM 355 C ILE A 23 37.401 24.611 13.114 1.00 0.00 C ATOM 356 O ILE A 23 37.143 25.777 13.341 1.00 0.00 O ATOM 357 CB ILE A 23 36.179 22.594 13.919 1.00 0.00 C ATOM 358 CG1 ILE A 23 35.033 21.638 13.603 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.889 23.328 15.231 1.00 0.00 C ATOM 360 CD1 ILE A 23 35.089 20.458 14.558 1.00 0.00 C ATOM 0 H ILE A 23 37.049 21.934 11.681 1.00 0.00 H new ATOM 0 HA ILE A 23 35.356 24.120 12.649 1.00 0.00 H new ATOM 0 HB ILE A 23 37.110 22.037 14.024 1.00 0.00 H new ATOM 0 HG12 ILE A 23 34.077 22.153 13.698 1.00 0.00 H new ATOM 0 HG13 ILE A 23 35.107 21.291 12.572 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.800 22.604 16.041 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.704 24.019 15.449 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.956 23.885 15.138 1.00 0.00 H new ATOM 0 HD11 ILE A 23 34.272 19.772 14.336 1.00 0.00 H new ATOM 0 HD12 ILE A 23 36.041 19.940 14.440 1.00 0.00 H new ATOM 0 HD13 ILE A 23 34.995 20.815 15.584 1.00 0.00 H new ATOM 372 N GLU A 24 38.627 24.165 13.136 1.00 0.00 N ATOM 373 CA GLU A 24 39.760 25.080 13.443 1.00 0.00 C ATOM 374 C GLU A 24 39.733 26.265 12.479 1.00 0.00 C ATOM 375 O GLU A 24 40.235 27.330 12.776 1.00 0.00 O ATOM 376 CB GLU A 24 41.079 24.316 13.283 1.00 0.00 C ATOM 377 CG GLU A 24 40.979 23.373 12.082 1.00 0.00 C ATOM 378 CD GLU A 24 42.375 22.881 11.699 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.331 23.347 12.297 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.465 22.045 10.814 1.00 0.00 O ATOM 0 H GLU A 24 38.893 23.198 12.953 1.00 0.00 H new ATOM 0 HA GLU A 24 39.671 25.447 14.466 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.902 25.016 13.142 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.295 23.748 14.188 1.00 0.00 H new ATOM 0 HG2 GLU A 24 40.338 22.526 12.324 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.520 23.889 11.239 1.00 0.00 H new ATOM 387 N ASN A 25 39.140 26.095 11.331 1.00 0.00 N ATOM 388 CA ASN A 25 39.072 27.221 10.364 1.00 0.00 C ATOM 389 C ASN A 25 38.088 28.254 10.900 1.00 0.00 C ATOM 390 O ASN A 25 38.364 29.438 10.924 1.00 0.00 O ATOM 391 CB ASN A 25 38.594 26.712 9.002 1.00 0.00 C ATOM 392 CG ASN A 25 38.576 27.870 8.003 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.511 28.050 7.248 1.00 0.00 O ATOM 394 ND2 ASN A 25 37.547 28.671 7.971 1.00 0.00 N ATOM 0 H ASN A 25 38.701 25.227 11.023 1.00 0.00 H new ATOM 0 HA ASN A 25 40.059 27.667 10.242 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.253 25.920 8.646 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.597 26.280 9.092 1.00 0.00 H new ATOM 0 HD21 ASN A 25 37.527 29.449 7.312 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.763 28.519 8.605 1.00 0.00 H new ATOM 401 N VAL A 26 36.944 27.815 11.349 1.00 0.00 N ATOM 402 CA VAL A 26 35.955 28.776 11.905 1.00 0.00 C ATOM 403 C VAL A 26 36.606 29.504 13.077 1.00 0.00 C ATOM 404 O VAL A 26 36.815 30.700 13.041 1.00 0.00 O ATOM 405 CB VAL A 26 34.728 28.011 12.400 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.675 28.998 12.901 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.148 27.184 11.254 1.00 0.00 C ATOM 0 H VAL A 26 36.654 26.837 11.354 1.00 0.00 H new ATOM 0 HA VAL A 26 35.647 29.489 11.140 1.00 0.00 H new ATOM 0 HB VAL A 26 35.019 27.349 13.216 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.801 28.450 13.253 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.089 29.587 13.720 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.383 29.662 12.088 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.273 26.638 11.606 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.859 27.846 10.438 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.898 26.477 10.899 1.00 0.00 H new ATOM 417 N LYS A 27 36.934 28.777 14.114 1.00 0.00 N ATOM 418 CA LYS A 27 37.583 29.388 15.311 1.00 0.00 C ATOM 419 C LYS A 27 38.622 30.426 14.873 1.00 0.00 C ATOM 420 O LYS A 27 38.835 31.424 15.533 1.00 0.00 O ATOM 421 CB LYS A 27 38.276 28.281 16.106 1.00 0.00 C ATOM 422 CG LYS A 27 37.225 27.329 16.678 1.00 0.00 C ATOM 423 CD LYS A 27 37.912 26.284 17.560 1.00 0.00 C ATOM 424 CE LYS A 27 36.859 25.372 18.193 1.00 0.00 C ATOM 425 NZ LYS A 27 36.170 26.099 19.295 1.00 0.00 N ATOM 0 H LYS A 27 36.777 27.771 14.182 1.00 0.00 H new ATOM 0 HA LYS A 27 36.830 29.881 15.925 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.966 27.734 15.463 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.867 28.714 16.913 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.492 27.887 17.260 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.684 26.839 15.869 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.609 25.693 16.965 1.00 0.00 H new ATOM 0 HD3 LYS A 27 38.495 26.777 18.338 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.135 25.059 17.441 1.00 0.00 H new ATOM 0 HE3 LYS A 27 37.330 24.468 18.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.152 25.890 19.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.560 25.793 20.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.317 27.122 19.181 1.00 0.00 H new ATOM 439 N ALA A 28 39.268 30.195 13.765 1.00 0.00 N ATOM 440 CA ALA A 28 40.292 31.166 13.285 1.00 0.00 C ATOM 441 C ALA A 28 39.607 32.492 12.929 1.00 0.00 C ATOM 442 O ALA A 28 39.925 33.533 13.472 1.00 0.00 O ATOM 443 CB ALA A 28 40.983 30.595 12.045 1.00 0.00 C ATOM 0 H ALA A 28 39.132 29.377 13.171 1.00 0.00 H new ATOM 0 HA ALA A 28 41.032 31.340 14.067 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.733 31.301 11.689 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.465 29.651 12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.244 30.426 11.262 1.00 0.00 H new ATOM 449 N LYS A 29 38.675 32.459 12.018 1.00 0.00 N ATOM 450 CA LYS A 29 37.972 33.715 11.621 1.00 0.00 C ATOM 451 C LYS A 29 37.469 34.437 12.874 1.00 0.00 C ATOM 452 O LYS A 29 37.368 35.644 12.912 1.00 0.00 O ATOM 453 CB LYS A 29 36.795 33.367 10.707 1.00 0.00 C ATOM 454 CG LYS A 29 37.320 33.042 9.298 1.00 0.00 C ATOM 455 CD LYS A 29 36.303 32.180 8.553 1.00 0.00 C ATOM 456 CE LYS A 29 36.874 31.775 7.192 1.00 0.00 C ATOM 457 NZ LYS A 29 36.956 32.976 6.311 1.00 0.00 N ATOM 0 H LYS A 29 38.368 31.617 11.530 1.00 0.00 H new ATOM 0 HA LYS A 29 38.660 34.370 11.087 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.248 32.514 11.109 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.096 34.202 10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.502 33.964 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.273 32.518 9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.066 31.292 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.372 32.731 8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.863 31.334 7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.242 31.015 6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.114 32.675 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.067 33.512 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 37.745 33.579 6.619 1.00 0.00 H new ATOM 471 N ILE A 30 37.172 33.706 13.907 1.00 0.00 N ATOM 472 CA ILE A 30 36.696 34.353 15.161 1.00 0.00 C ATOM 473 C ILE A 30 37.917 34.911 15.908 1.00 0.00 C ATOM 474 O ILE A 30 38.050 36.100 16.102 1.00 0.00 O ATOM 475 CB ILE A 30 35.957 33.304 16.017 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.502 33.178 15.541 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.958 33.723 17.495 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.461 32.968 14.024 1.00 0.00 C ATOM 0 H ILE A 30 37.237 32.689 13.940 1.00 0.00 H new ATOM 0 HA ILE A 30 36.006 35.169 14.945 1.00 0.00 H new ATOM 0 HB ILE A 30 36.470 32.348 15.910 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.017 32.342 16.045 1.00 0.00 H new ATOM 0 HG13 ILE A 30 33.945 34.076 15.807 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.433 32.973 18.086 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.986 33.809 17.848 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.456 34.685 17.601 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.425 32.880 13.697 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.928 33.818 13.526 1.00 0.00 H new ATOM 0 HD13 ILE A 30 35.001 32.056 13.768 1.00 0.00 H new ATOM 490 N GLN A 31 38.793 34.045 16.331 1.00 0.00 N ATOM 491 CA GLN A 31 40.007 34.476 17.077 1.00 0.00 C ATOM 492 C GLN A 31 40.595 35.764 16.480 1.00 0.00 C ATOM 493 O GLN A 31 40.893 36.703 17.188 1.00 0.00 O ATOM 494 CB GLN A 31 41.042 33.356 16.989 1.00 0.00 C ATOM 495 CG GLN A 31 42.330 33.799 17.672 1.00 0.00 C ATOM 496 CD GLN A 31 43.261 32.597 17.839 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.871 31.474 17.593 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.484 32.788 18.250 1.00 0.00 N ATOM 0 H GLN A 31 38.717 33.038 16.189 1.00 0.00 H new ATOM 0 HA GLN A 31 39.739 34.678 18.114 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.658 32.453 17.464 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.238 33.108 15.946 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.820 34.572 17.080 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.106 34.236 18.645 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.811 33.732 18.457 1.00 0.00 H new ATOM 0 HE22 GLN A 31 45.113 31.994 18.365 1.00 0.00 H new ATOM 507 N ASP A 32 40.784 35.805 15.191 1.00 0.00 N ATOM 508 CA ASP A 32 41.382 37.026 14.563 1.00 0.00 C ATOM 509 C ASP A 32 40.380 38.191 14.560 1.00 0.00 C ATOM 510 O ASP A 32 40.678 39.278 15.015 1.00 0.00 O ATOM 511 CB ASP A 32 41.784 36.706 13.122 1.00 0.00 C ATOM 512 CG ASP A 32 42.711 35.488 13.110 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.203 34.384 13.008 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.912 35.682 13.201 1.00 0.00 O ATOM 0 H ASP A 32 40.553 35.051 14.544 1.00 0.00 H new ATOM 0 HA ASP A 32 42.256 37.321 15.144 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.897 36.507 12.521 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.286 37.563 12.674 1.00 0.00 H new ATOM 519 N LYS A 33 39.212 37.984 14.020 1.00 0.00 N ATOM 520 CA LYS A 33 38.215 39.090 13.952 1.00 0.00 C ATOM 521 C LYS A 33 37.890 39.618 15.354 1.00 0.00 C ATOM 522 O LYS A 33 37.808 40.811 15.565 1.00 0.00 O ATOM 523 CB LYS A 33 36.935 38.579 13.293 1.00 0.00 C ATOM 524 CG LYS A 33 37.233 38.052 11.875 1.00 0.00 C ATOM 525 CD LYS A 33 37.255 39.205 10.858 1.00 0.00 C ATOM 526 CE LYS A 33 35.831 39.520 10.373 1.00 0.00 C ATOM 527 NZ LYS A 33 35.452 38.560 9.298 1.00 0.00 N ATOM 0 H LYS A 33 38.904 37.097 13.622 1.00 0.00 H new ATOM 0 HA LYS A 33 38.639 39.904 13.364 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.499 37.785 13.899 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.199 39.382 13.242 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.193 37.536 11.868 1.00 0.00 H new ATOM 0 HG3 LYS A 33 36.477 37.321 11.587 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.695 40.092 11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.884 38.937 10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 33 35.128 39.450 11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 33 35.780 40.542 9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 34.489 38.771 8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.117 38.648 8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.485 37.590 9.671 1.00 0.00 H new ATOM 541 N GLU A 34 37.707 38.756 16.316 1.00 0.00 N ATOM 542 CA GLU A 34 37.391 39.237 17.695 1.00 0.00 C ATOM 543 C GLU A 34 38.693 39.464 18.465 1.00 0.00 C ATOM 544 O GLU A 34 38.731 40.191 19.439 1.00 0.00 O ATOM 545 CB GLU A 34 36.543 38.188 18.422 1.00 0.00 C ATOM 546 CG GLU A 34 35.420 37.712 17.501 1.00 0.00 C ATOM 547 CD GLU A 34 34.400 36.911 18.311 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.814 36.206 19.217 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.222 37.018 18.014 1.00 0.00 O ATOM 0 H GLU A 34 37.762 37.743 16.210 1.00 0.00 H new ATOM 0 HA GLU A 34 36.836 40.173 17.635 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.166 37.344 18.720 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.124 38.612 19.334 1.00 0.00 H new ATOM 0 HG2 GLU A 34 34.935 38.567 17.030 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.829 37.096 16.700 1.00 0.00 H new ATOM 556 N GLY A 35 39.761 38.848 18.040 1.00 0.00 N ATOM 557 CA GLY A 35 41.060 39.028 18.748 1.00 0.00 C ATOM 558 C GLY A 35 40.997 38.324 20.103 1.00 0.00 C ATOM 559 O GLY A 35 41.829 38.529 20.965 1.00 0.00 O ATOM 0 H GLY A 35 39.791 38.227 17.232 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.874 38.618 18.150 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.269 40.089 18.886 1.00 0.00 H new ATOM 563 N ILE A 36 40.004 37.502 20.295 1.00 0.00 N ATOM 564 CA ILE A 36 39.845 36.776 21.579 1.00 0.00 C ATOM 565 C ILE A 36 40.464 35.371 21.448 1.00 0.00 C ATOM 566 O ILE A 36 40.253 34.704 20.454 1.00 0.00 O ATOM 567 CB ILE A 36 38.353 36.657 21.855 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.736 38.053 21.800 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.135 36.056 23.238 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.243 37.956 22.069 1.00 0.00 C ATOM 0 H ILE A 36 39.284 37.301 19.601 1.00 0.00 H new ATOM 0 HA ILE A 36 40.343 37.305 22.392 1.00 0.00 H new ATOM 0 HB ILE A 36 37.886 36.012 21.111 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.208 38.701 22.538 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.912 38.502 20.823 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.066 35.972 23.434 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.591 35.067 23.281 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.592 36.699 23.990 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.801 38.952 22.030 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.778 37.323 21.314 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.078 37.524 23.056 1.00 0.00 H new ATOM 582 N PRO A 37 41.217 34.908 22.426 1.00 0.00 N ATOM 583 CA PRO A 37 41.844 33.550 22.357 1.00 0.00 C ATOM 584 C PRO A 37 40.796 32.429 22.551 1.00 0.00 C ATOM 585 O PRO A 37 40.128 32.387 23.565 1.00 0.00 O ATOM 586 CB PRO A 37 42.850 33.563 23.518 1.00 0.00 C ATOM 587 CG PRO A 37 42.281 34.527 24.507 1.00 0.00 C ATOM 588 CD PRO A 37 41.560 35.600 23.685 1.00 0.00 C ATOM 0 HA PRO A 37 42.305 33.351 21.389 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.964 32.570 23.954 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.838 33.878 23.182 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.591 34.027 25.186 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.068 34.968 25.119 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.669 35.965 24.197 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.200 36.464 23.505 1.00 0.00 H new ATOM 596 N PRO A 38 40.644 31.525 21.601 1.00 0.00 N ATOM 597 CA PRO A 38 39.658 30.409 21.706 1.00 0.00 C ATOM 598 C PRO A 38 39.571 29.807 23.112 1.00 0.00 C ATOM 599 O PRO A 38 38.542 29.315 23.524 1.00 0.00 O ATOM 600 CB PRO A 38 40.192 29.390 20.715 1.00 0.00 C ATOM 601 CG PRO A 38 40.752 30.232 19.626 1.00 0.00 C ATOM 602 CD PRO A 38 41.374 31.451 20.319 1.00 0.00 C ATOM 0 HA PRO A 38 38.642 30.746 21.499 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.955 28.754 21.164 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.403 28.733 20.350 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.500 29.684 19.053 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.973 30.535 18.926 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.445 31.322 20.473 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.244 32.358 19.729 1.00 0.00 H new ATOM 610 N ASP A 39 40.647 29.835 23.847 1.00 0.00 N ATOM 611 CA ASP A 39 40.623 29.257 25.220 1.00 0.00 C ATOM 612 C ASP A 39 39.496 29.897 26.028 1.00 0.00 C ATOM 613 O ASP A 39 38.801 29.241 26.778 1.00 0.00 O ATOM 614 CB ASP A 39 41.963 29.525 25.909 1.00 0.00 C ATOM 615 CG ASP A 39 41.970 28.857 27.286 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.917 28.416 27.716 1.00 0.00 O ATOM 617 OD2 ASP A 39 43.030 28.798 27.889 1.00 0.00 O ATOM 0 H ASP A 39 41.541 30.232 23.558 1.00 0.00 H new ATOM 0 HA ASP A 39 40.455 28.182 25.157 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.781 29.138 25.301 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.123 30.598 26.013 1.00 0.00 H new ATOM 622 N GLN A 40 39.316 31.179 25.886 1.00 0.00 N ATOM 623 CA GLN A 40 38.246 31.882 26.643 1.00 0.00 C ATOM 624 C GLN A 40 36.929 31.838 25.862 1.00 0.00 C ATOM 625 O GLN A 40 35.959 32.463 26.242 1.00 0.00 O ATOM 626 CB GLN A 40 38.663 33.338 26.847 1.00 0.00 C ATOM 627 CG GLN A 40 39.951 33.387 27.668 1.00 0.00 C ATOM 628 CD GLN A 40 40.271 34.839 28.032 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.431 35.545 28.551 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.460 35.315 27.780 1.00 0.00 N ATOM 0 H GLN A 40 39.870 31.775 25.272 1.00 0.00 H new ATOM 0 HA GLN A 40 38.102 31.391 27.606 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.815 33.823 25.883 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.872 33.886 27.358 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.840 32.790 28.573 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.774 32.954 27.099 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.165 34.721 27.344 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.684 36.281 28.019 1.00 0.00 H new ATOM 639 N GLN A 41 36.886 31.112 24.770 1.00 0.00 N ATOM 640 CA GLN A 41 35.628 31.039 23.958 1.00 0.00 C ATOM 641 C GLN A 41 35.359 29.597 23.527 1.00 0.00 C ATOM 642 O GLN A 41 36.251 28.880 23.121 1.00 0.00 O ATOM 643 CB GLN A 41 35.783 31.907 22.708 1.00 0.00 C ATOM 644 CG GLN A 41 35.897 33.376 23.113 1.00 0.00 C ATOM 645 CD GLN A 41 35.712 34.260 21.878 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.853 35.119 21.854 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.487 34.083 20.842 1.00 0.00 N ATOM 0 H GLN A 41 37.667 30.567 24.405 1.00 0.00 H new ATOM 0 HA GLN A 41 34.796 31.395 24.565 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.669 31.604 22.150 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.927 31.767 22.048 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.143 33.617 23.863 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.870 33.565 23.567 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.208 33.362 20.862 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.371 34.666 20.013 1.00 0.00 H new ATOM 656 N ARG A 42 34.121 29.176 23.598 1.00 0.00 N ATOM 657 CA ARG A 42 33.751 27.790 23.179 1.00 0.00 C ATOM 658 C ARG A 42 32.529 27.891 22.278 1.00 0.00 C ATOM 659 O ARG A 42 31.612 28.643 22.545 1.00 0.00 O ATOM 660 CB ARG A 42 33.418 26.946 24.418 1.00 0.00 C ATOM 661 CG ARG A 42 34.713 26.485 25.114 1.00 0.00 C ATOM 662 CD ARG A 42 35.231 25.191 24.473 1.00 0.00 C ATOM 663 NE ARG A 42 36.423 24.707 25.223 1.00 0.00 N ATOM 664 CZ ARG A 42 36.942 23.544 24.942 1.00 0.00 C ATOM 665 NH1 ARG A 42 37.989 23.122 25.597 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.415 22.802 24.007 1.00 0.00 N ATOM 0 H ARG A 42 33.341 29.742 23.933 1.00 0.00 H new ATOM 0 HA ARG A 42 34.577 27.315 22.650 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.812 27.529 25.111 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.825 26.079 24.127 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.471 27.265 25.039 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.526 26.323 26.176 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.450 24.431 24.481 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.492 25.369 23.430 1.00 0.00 H new ATOM 0 HE ARG A 42 36.833 25.285 25.956 1.00 0.00 H new ATOM 0 HH11 ARG A 42 38.401 23.702 26.328 1.00 0.00 H new ATOM 0 HH12 ARG A 42 38.395 22.212 25.378 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.597 23.131 23.495 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.822 21.893 23.788 1.00 0.00 H new ATOM 680 N LEU A 43 32.508 27.164 21.199 1.00 0.00 N ATOM 681 CA LEU A 43 31.345 27.250 20.277 1.00 0.00 C ATOM 682 C LEU A 43 30.268 26.250 20.692 1.00 0.00 C ATOM 683 O LEU A 43 30.548 25.109 21.003 1.00 0.00 O ATOM 684 CB LEU A 43 31.808 26.934 18.857 1.00 0.00 C ATOM 685 CG LEU A 43 32.574 28.129 18.286 1.00 0.00 C ATOM 686 CD1 LEU A 43 33.786 28.448 19.171 1.00 0.00 C ATOM 687 CD2 LEU A 43 33.047 27.779 16.881 1.00 0.00 C ATOM 0 H LEU A 43 33.243 26.516 20.916 1.00 0.00 H new ATOM 0 HA LEU A 43 30.929 28.257 20.319 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.445 26.049 18.860 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.949 26.706 18.226 1.00 0.00 H new ATOM 0 HG LEU A 43 31.922 29.002 18.256 1.00 0.00 H new ATOM 0 HD11 LEU A 43 34.325 29.300 18.757 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.447 28.688 20.179 1.00 0.00 H new ATOM 0 HD13 LEU A 43 34.448 27.583 19.207 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.595 28.622 16.461 1.00 0.00 H new ATOM 0 HD22 LEU A 43 33.700 26.907 16.923 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.185 27.557 16.252 1.00 0.00 H new ATOM 699 N ILE A 44 29.028 26.671 20.654 1.00 0.00 N ATOM 700 CA ILE A 44 27.885 25.771 21.004 1.00 0.00 C ATOM 701 C ILE A 44 27.038 25.619 19.739 1.00 0.00 C ATOM 702 O ILE A 44 26.747 26.586 19.064 1.00 0.00 O ATOM 703 CB ILE A 44 27.044 26.412 22.137 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.632 26.045 23.510 1.00 0.00 C ATOM 705 CG2 ILE A 44 25.591 25.899 22.087 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.142 26.280 23.529 1.00 0.00 C ATOM 0 H ILE A 44 28.755 27.618 20.390 1.00 0.00 H new ATOM 0 HA ILE A 44 28.237 24.800 21.353 1.00 0.00 H new ATOM 0 HB ILE A 44 27.063 27.493 21.995 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.156 26.643 24.287 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.418 25.000 23.736 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.015 26.359 22.890 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.146 26.158 21.126 1.00 0.00 H new ATOM 0 HG23 ILE A 44 25.583 24.816 22.210 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.539 26.015 24.509 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.616 25.663 22.766 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.349 27.331 23.326 1.00 0.00 H new ATOM 718 N PHE A 45 26.648 24.423 19.398 1.00 0.00 N ATOM 719 CA PHE A 45 25.838 24.229 18.162 1.00 0.00 C ATOM 720 C PHE A 45 24.857 23.064 18.358 1.00 0.00 C ATOM 721 O PHE A 45 25.222 21.909 18.274 1.00 0.00 O ATOM 722 CB PHE A 45 26.797 23.921 17.004 1.00 0.00 C ATOM 723 CG PHE A 45 26.031 23.407 15.808 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.443 24.304 14.912 1.00 0.00 C ATOM 725 CD2 PHE A 45 25.918 22.029 15.599 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.738 23.822 13.803 1.00 0.00 C ATOM 727 CE2 PHE A 45 25.213 21.546 14.492 1.00 0.00 C ATOM 728 CZ PHE A 45 24.623 22.442 13.593 1.00 0.00 C ATOM 0 H PHE A 45 26.854 23.572 19.921 1.00 0.00 H new ATOM 0 HA PHE A 45 25.263 25.129 17.942 1.00 0.00 H new ATOM 0 HB2 PHE A 45 27.349 24.821 16.731 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.532 23.180 17.319 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.532 25.368 15.075 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.375 21.338 16.292 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.283 24.514 13.110 1.00 0.00 H new ATOM 0 HE2 PHE A 45 25.124 20.482 14.331 1.00 0.00 H new ATOM 0 HZ PHE A 45 24.079 22.069 12.738 1.00 0.00 H new ATOM 738 N ALA A 46 23.608 23.370 18.591 1.00 0.00 N ATOM 739 CA ALA A 46 22.573 22.305 18.761 1.00 0.00 C ATOM 740 C ALA A 46 22.815 21.477 20.033 1.00 0.00 C ATOM 741 O ALA A 46 22.476 20.311 20.084 1.00 0.00 O ATOM 742 CB ALA A 46 22.590 21.380 17.536 1.00 0.00 C ATOM 0 H ALA A 46 23.256 24.324 18.672 1.00 0.00 H new ATOM 0 HA ALA A 46 21.601 22.789 18.856 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.836 20.602 17.657 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.372 21.960 16.639 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.574 20.920 17.441 1.00 0.00 H new ATOM 748 N GLY A 47 23.373 22.053 21.066 1.00 0.00 N ATOM 749 CA GLY A 47 23.599 21.269 22.322 1.00 0.00 C ATOM 750 C GLY A 47 24.940 20.539 22.259 1.00 0.00 C ATOM 751 O GLY A 47 25.306 19.821 23.170 1.00 0.00 O ATOM 0 H GLY A 47 23.681 23.025 21.097 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.581 21.937 23.183 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.792 20.549 22.460 1.00 0.00 H new ATOM 755 N LYS A 48 25.678 20.719 21.194 1.00 0.00 N ATOM 756 CA LYS A 48 27.008 20.045 21.056 1.00 0.00 C ATOM 757 C LYS A 48 28.065 21.097 20.729 1.00 0.00 C ATOM 758 O LYS A 48 27.771 22.105 20.127 1.00 0.00 O ATOM 759 CB LYS A 48 26.943 19.025 19.926 1.00 0.00 C ATOM 760 CG LYS A 48 25.912 17.948 20.267 1.00 0.00 C ATOM 761 CD LYS A 48 25.862 16.913 19.142 1.00 0.00 C ATOM 762 CE LYS A 48 24.848 15.823 19.495 1.00 0.00 C ATOM 763 NZ LYS A 48 23.487 16.422 19.590 1.00 0.00 N ATOM 0 H LYS A 48 25.415 21.310 20.405 1.00 0.00 H new ATOM 0 HA LYS A 48 27.265 19.539 21.987 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.673 19.518 18.992 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.922 18.571 19.775 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.173 17.465 21.208 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.930 18.400 20.403 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.584 17.393 18.204 1.00 0.00 H new ATOM 0 HD3 LYS A 48 26.848 16.473 18.994 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.860 15.041 18.736 1.00 0.00 H new ATOM 0 HE3 LYS A 48 25.117 15.354 20.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.771 15.674 19.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.376 16.887 20.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.363 17.123 18.832 1.00 0.00 H new ATOM 777 N GLN A 49 29.299 20.867 21.102 1.00 0.00 N ATOM 778 CA GLN A 49 30.377 21.849 20.799 1.00 0.00 C ATOM 779 C GLN A 49 31.191 21.331 19.614 1.00 0.00 C ATOM 780 O GLN A 49 31.047 20.194 19.211 1.00 0.00 O ATOM 781 CB GLN A 49 31.283 21.998 22.013 1.00 0.00 C ATOM 782 CG GLN A 49 30.433 22.193 23.271 1.00 0.00 C ATOM 783 CD GLN A 49 31.348 22.364 24.484 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.146 21.499 24.784 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.265 23.452 25.200 1.00 0.00 N ATOM 0 H GLN A 49 29.605 20.035 21.606 1.00 0.00 H new ATOM 0 HA GLN A 49 29.942 22.818 20.556 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.911 21.114 22.121 1.00 0.00 H new ATOM 0 HB3 GLN A 49 31.951 22.849 21.878 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.793 23.068 23.158 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.776 21.335 23.416 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.595 24.178 24.948 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.870 23.576 26.012 1.00 0.00 H new ATOM 794 N LEU A 50 32.048 22.143 19.048 1.00 0.00 N ATOM 795 CA LEU A 50 32.873 21.682 17.888 1.00 0.00 C ATOM 796 C LEU A 50 34.275 21.320 18.388 1.00 0.00 C ATOM 797 O LEU A 50 35.030 22.171 18.816 1.00 0.00 O ATOM 798 CB LEU A 50 32.969 22.813 16.860 1.00 0.00 C ATOM 799 CG LEU A 50 31.593 23.460 16.679 1.00 0.00 C ATOM 800 CD1 LEU A 50 31.672 24.529 15.586 1.00 0.00 C ATOM 801 CD2 LEU A 50 30.572 22.392 16.277 1.00 0.00 C ATOM 0 H LEU A 50 32.213 23.107 19.339 1.00 0.00 H new ATOM 0 HA LEU A 50 32.414 20.809 17.424 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.692 23.559 17.191 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.327 22.423 15.907 1.00 0.00 H new ATOM 0 HG LEU A 50 31.283 23.921 17.617 1.00 0.00 H new ATOM 0 HD11 LEU A 50 30.693 24.990 15.457 1.00 0.00 H new ATOM 0 HD12 LEU A 50 32.397 25.291 15.874 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.983 24.068 14.648 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.593 22.854 16.149 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.880 21.929 15.340 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.515 21.632 17.056 1.00 0.00 H new ATOM 813 N GLU A 51 34.628 20.061 18.347 1.00 0.00 N ATOM 814 CA GLU A 51 35.978 19.640 18.830 1.00 0.00 C ATOM 815 C GLU A 51 36.958 19.603 17.655 1.00 0.00 C ATOM 816 O GLU A 51 36.632 19.152 16.576 1.00 0.00 O ATOM 817 CB GLU A 51 35.879 18.244 19.450 1.00 0.00 C ATOM 818 CG GLU A 51 34.885 18.273 20.612 1.00 0.00 C ATOM 819 CD GLU A 51 34.855 16.902 21.293 1.00 0.00 C ATOM 820 OE1 GLU A 51 35.519 16.006 20.802 1.00 0.00 O ATOM 821 OE2 GLU A 51 34.167 16.775 22.292 1.00 0.00 O ATOM 0 H GLU A 51 34.039 19.305 17.999 1.00 0.00 H new ATOM 0 HA GLU A 51 36.334 20.351 19.575 1.00 0.00 H new ATOM 0 HB2 GLU A 51 35.556 17.523 18.699 1.00 0.00 H new ATOM 0 HB3 GLU A 51 36.858 17.921 19.803 1.00 0.00 H new ATOM 0 HG2 GLU A 51 35.171 19.041 21.330 1.00 0.00 H new ATOM 0 HG3 GLU A 51 33.891 18.532 20.248 1.00 0.00 H new ATOM 828 N ASP A 52 38.158 20.074 17.860 1.00 0.00 N ATOM 829 CA ASP A 52 39.165 20.071 16.759 1.00 0.00 C ATOM 830 C ASP A 52 39.360 18.643 16.244 1.00 0.00 C ATOM 831 O ASP A 52 39.101 17.680 16.938 1.00 0.00 O ATOM 832 CB ASP A 52 40.496 20.609 17.285 1.00 0.00 C ATOM 833 CG ASP A 52 41.019 19.688 18.390 1.00 0.00 C ATOM 834 OD1 ASP A 52 40.357 18.705 18.676 1.00 0.00 O ATOM 835 OD2 ASP A 52 42.073 19.982 18.930 1.00 0.00 O ATOM 0 H ASP A 52 38.486 20.462 18.745 1.00 0.00 H new ATOM 0 HA ASP A 52 38.812 20.704 15.945 1.00 0.00 H new ATOM 0 HB2 ASP A 52 41.222 20.670 16.474 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.365 21.620 17.671 1.00 0.00 H new ATOM 840 N GLY A 53 39.814 18.497 15.026 1.00 0.00 N ATOM 841 CA GLY A 53 40.027 17.133 14.458 1.00 0.00 C ATOM 842 C GLY A 53 38.734 16.649 13.802 1.00 0.00 C ATOM 843 O GLY A 53 38.354 15.501 13.929 1.00 0.00 O ATOM 0 H GLY A 53 40.047 19.267 14.399 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.834 17.154 13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.329 16.442 15.245 1.00 0.00 H new ATOM 847 N ARG A 54 38.057 17.515 13.096 1.00 0.00 N ATOM 848 CA ARG A 54 36.790 17.099 12.430 1.00 0.00 C ATOM 849 C ARG A 54 36.299 18.200 11.485 1.00 0.00 C ATOM 850 O ARG A 54 36.609 19.367 11.649 1.00 0.00 O ATOM 851 CB ARG A 54 35.724 16.826 13.496 1.00 0.00 C ATOM 852 CG ARG A 54 34.521 16.135 12.853 1.00 0.00 C ATOM 853 CD ARG A 54 33.553 15.677 13.945 1.00 0.00 C ATOM 854 NE ARG A 54 34.142 14.521 14.677 1.00 0.00 N ATOM 855 CZ ARG A 54 33.479 13.957 15.650 1.00 0.00 C ATOM 856 NH1 ARG A 54 33.992 12.943 16.291 1.00 0.00 N ATOM 857 NH2 ARG A 54 32.301 14.411 15.983 1.00 0.00 N ATOM 0 H ARG A 54 38.326 18.488 12.952 1.00 0.00 H new ATOM 0 HA ARG A 54 36.974 16.195 11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 54 36.137 16.199 14.286 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.413 17.761 13.962 1.00 0.00 H new ATOM 0 HG2 ARG A 54 34.018 16.819 12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.851 15.280 12.263 1.00 0.00 H new ATOM 0 HD2 ARG A 54 33.354 16.496 14.636 1.00 0.00 H new ATOM 0 HD3 ARG A 54 32.598 15.393 13.504 1.00 0.00 H new ATOM 0 HE ARG A 54 35.064 14.170 14.418 1.00 0.00 H new ATOM 0 HH11 ARG A 54 34.913 12.589 16.032 1.00 0.00 H new ATOM 0 HH12 ARG A 54 33.472 12.504 17.051 1.00 0.00 H new ATOM 0 HH21 ARG A 54 31.900 15.205 15.483 1.00 0.00 H new ATOM 0 HH22 ARG A 54 31.781 13.972 16.743 1.00 0.00 H new ATOM 871 N THR A 55 35.518 17.827 10.499 1.00 0.00 N ATOM 872 CA THR A 55 34.965 18.816 9.522 1.00 0.00 C ATOM 873 C THR A 55 33.437 18.760 9.585 1.00 0.00 C ATOM 874 O THR A 55 32.867 17.741 9.920 1.00 0.00 O ATOM 875 CB THR A 55 35.433 18.444 8.110 1.00 0.00 C ATOM 876 OG1 THR A 55 36.827 18.164 8.137 1.00 0.00 O ATOM 877 CG2 THR A 55 35.166 19.604 7.148 1.00 0.00 C ATOM 0 H THR A 55 35.236 16.862 10.328 1.00 0.00 H new ATOM 0 HA THR A 55 35.311 19.821 9.764 1.00 0.00 H new ATOM 0 HB THR A 55 34.886 17.565 7.770 1.00 0.00 H new ATOM 0 HG1 THR A 55 37.130 17.924 7.236 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.501 19.331 6.147 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.098 19.820 7.126 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.708 20.488 7.484 1.00 0.00 H new ATOM 885 N LEU A 56 32.762 19.836 9.276 1.00 0.00 N ATOM 886 CA LEU A 56 31.270 19.824 9.336 1.00 0.00 C ATOM 887 C LEU A 56 30.726 18.561 8.654 1.00 0.00 C ATOM 888 O LEU A 56 29.844 17.898 9.170 1.00 0.00 O ATOM 889 CB LEU A 56 30.727 21.073 8.630 1.00 0.00 C ATOM 890 CG LEU A 56 31.435 22.330 9.164 1.00 0.00 C ATOM 891 CD1 LEU A 56 30.763 23.584 8.593 1.00 0.00 C ATOM 892 CD2 LEU A 56 31.360 22.365 10.698 1.00 0.00 C ATOM 0 H LEU A 56 33.178 20.721 8.985 1.00 0.00 H new ATOM 0 HA LEU A 56 30.949 19.825 10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.881 20.988 7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.652 21.154 8.793 1.00 0.00 H new ATOM 0 HG LEU A 56 32.480 22.304 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.267 24.472 8.974 1.00 0.00 H new ATOM 0 HD12 LEU A 56 30.828 23.568 7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 56 29.716 23.605 8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.864 23.258 11.067 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.316 22.382 11.011 1.00 0.00 H new ATOM 0 HD23 LEU A 56 31.847 21.479 11.106 1.00 0.00 H new ATOM 904 N SER A 57 31.259 18.198 7.519 1.00 0.00 N ATOM 905 CA SER A 57 30.769 16.959 6.849 1.00 0.00 C ATOM 906 C SER A 57 30.862 15.814 7.858 1.00 0.00 C ATOM 907 O SER A 57 29.886 15.172 8.186 1.00 0.00 O ATOM 908 CB SER A 57 31.642 16.649 5.633 1.00 0.00 C ATOM 909 OG SER A 57 32.987 16.460 6.055 1.00 0.00 O ATOM 0 H SER A 57 32.003 18.698 7.032 1.00 0.00 H new ATOM 0 HA SER A 57 29.740 17.088 6.513 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.278 15.754 5.128 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.586 17.466 4.913 1.00 0.00 H new ATOM 0 HG SER A 57 33.549 16.259 5.277 1.00 0.00 H new ATOM 915 N ASP A 58 32.042 15.567 8.351 1.00 0.00 N ATOM 916 CA ASP A 58 32.224 14.476 9.349 1.00 0.00 C ATOM 917 C ASP A 58 31.223 14.670 10.494 1.00 0.00 C ATOM 918 O ASP A 58 30.693 13.718 11.035 1.00 0.00 O ATOM 919 CB ASP A 58 33.651 14.524 9.902 1.00 0.00 C ATOM 920 CG ASP A 58 34.631 14.030 8.835 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.173 13.480 7.847 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.823 14.210 9.025 1.00 0.00 O ATOM 0 H ASP A 58 32.892 16.075 8.105 1.00 0.00 H new ATOM 0 HA ASP A 58 32.054 13.510 8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.903 15.542 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.727 13.904 10.795 1.00 0.00 H new ATOM 927 N TYR A 59 30.953 15.896 10.864 1.00 0.00 N ATOM 928 CA TYR A 59 29.979 16.152 11.969 1.00 0.00 C ATOM 929 C TYR A 59 28.559 15.900 11.439 1.00 0.00 C ATOM 930 O TYR A 59 27.584 16.041 12.150 1.00 0.00 O ATOM 931 CB TYR A 59 30.137 17.617 12.450 1.00 0.00 C ATOM 932 CG TYR A 59 30.533 17.669 13.916 1.00 0.00 C ATOM 933 CD1 TYR A 59 31.648 18.416 14.317 1.00 0.00 C ATOM 934 CD2 TYR A 59 29.782 16.969 14.869 1.00 0.00 C ATOM 935 CE1 TYR A 59 32.012 18.464 15.667 1.00 0.00 C ATOM 936 CE2 TYR A 59 30.146 17.017 16.220 1.00 0.00 C ATOM 937 CZ TYR A 59 31.261 17.764 16.619 1.00 0.00 C ATOM 938 OH TYR A 59 31.619 17.811 17.951 1.00 0.00 O ATOM 0 H TYR A 59 31.365 16.732 10.449 1.00 0.00 H new ATOM 0 HA TYR A 59 30.165 15.487 12.812 1.00 0.00 H new ATOM 0 HB2 TYR A 59 30.892 18.122 11.848 1.00 0.00 H new ATOM 0 HB3 TYR A 59 29.200 18.155 12.303 1.00 0.00 H new ATOM 0 HD1 TYR A 59 32.228 18.956 13.583 1.00 0.00 H new ATOM 0 HD2 TYR A 59 28.922 16.392 14.562 1.00 0.00 H new ATOM 0 HE1 TYR A 59 32.872 19.041 15.975 1.00 0.00 H new ATOM 0 HE2 TYR A 59 29.567 16.478 16.955 1.00 0.00 H new ATOM 0 HH TYR A 59 31.285 18.641 18.350 1.00 0.00 H new ATOM 948 N ASN A 60 28.459 15.484 10.205 1.00 0.00 N ATOM 949 CA ASN A 60 27.129 15.162 9.596 1.00 0.00 C ATOM 950 C ASN A 60 26.039 16.129 10.078 1.00 0.00 C ATOM 951 O ASN A 60 25.089 15.724 10.715 1.00 0.00 O ATOM 952 CB ASN A 60 26.737 13.734 9.981 1.00 0.00 C ATOM 953 CG ASN A 60 27.633 12.741 9.236 1.00 0.00 C ATOM 954 OD1 ASN A 60 28.200 13.068 8.211 1.00 0.00 O ATOM 955 ND2 ASN A 60 27.785 11.534 9.710 1.00 0.00 N ATOM 0 H ASN A 60 29.254 15.351 9.580 1.00 0.00 H new ATOM 0 HA ASN A 60 27.216 15.260 8.514 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.838 13.595 11.057 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.691 13.553 9.733 1.00 0.00 H new ATOM 0 HD21 ASN A 60 28.379 10.865 9.221 1.00 0.00 H new ATOM 0 HD22 ASN A 60 27.309 11.260 10.570 1.00 0.00 H new ATOM 962 N ILE A 61 26.152 17.394 9.780 1.00 0.00 N ATOM 963 CA ILE A 61 25.094 18.345 10.230 1.00 0.00 C ATOM 964 C ILE A 61 23.755 17.926 9.611 1.00 0.00 C ATOM 965 O ILE A 61 23.601 17.898 8.407 1.00 0.00 O ATOM 966 CB ILE A 61 25.449 19.767 9.782 1.00 0.00 C ATOM 967 CG1 ILE A 61 26.668 20.257 10.572 1.00 0.00 C ATOM 968 CG2 ILE A 61 24.262 20.702 10.039 1.00 0.00 C ATOM 969 CD1 ILE A 61 27.185 21.563 9.967 1.00 0.00 C ATOM 0 H ILE A 61 26.920 17.808 9.251 1.00 0.00 H new ATOM 0 HA ILE A 61 25.020 18.326 11.317 1.00 0.00 H new ATOM 0 HB ILE A 61 25.679 19.765 8.717 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.398 20.411 11.617 1.00 0.00 H new ATOM 0 HG13 ILE A 61 27.453 19.501 10.554 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.518 21.712 9.719 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.395 20.353 9.478 1.00 0.00 H new ATOM 0 HG23 ILE A 61 24.027 20.707 11.103 1.00 0.00 H new ATOM 0 HD11 ILE A 61 28.051 21.908 10.532 1.00 0.00 H new ATOM 0 HD12 ILE A 61 27.472 21.395 8.929 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.401 22.319 10.009 1.00 0.00 H new ATOM 981 N GLN A 62 22.788 17.593 10.431 1.00 0.00 N ATOM 982 CA GLN A 62 21.454 17.163 9.902 1.00 0.00 C ATOM 983 C GLN A 62 20.446 18.310 10.021 1.00 0.00 C ATOM 984 O GLN A 62 19.345 18.124 10.499 1.00 0.00 O ATOM 985 CB GLN A 62 20.948 15.968 10.714 1.00 0.00 C ATOM 986 CG GLN A 62 21.889 14.779 10.517 1.00 0.00 C ATOM 987 CD GLN A 62 21.326 13.556 11.245 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.204 13.157 11.008 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.065 12.943 12.128 1.00 0.00 N ATOM 0 H GLN A 62 22.865 17.600 11.448 1.00 0.00 H new ATOM 0 HA GLN A 62 21.561 16.885 8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.893 16.230 11.771 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.939 15.702 10.399 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.002 14.563 9.455 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.881 15.019 10.900 1.00 0.00 H new ATOM 0 HE21 GLN A 62 23.007 13.279 12.326 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.700 12.127 12.620 1.00 0.00 H new ATOM 998 N LYS A 63 20.808 19.489 9.579 1.00 0.00 N ATOM 999 CA LYS A 63 19.868 20.655 9.651 1.00 0.00 C ATOM 1000 C LYS A 63 19.381 20.994 8.240 1.00 0.00 C ATOM 1001 O LYS A 63 18.760 22.014 8.018 1.00 0.00 O ATOM 1002 CB LYS A 63 20.593 21.868 10.241 1.00 0.00 C ATOM 1003 CG LYS A 63 20.811 21.659 11.743 1.00 0.00 C ATOM 1004 CD LYS A 63 21.295 22.966 12.373 1.00 0.00 C ATOM 1005 CE LYS A 63 21.481 22.766 13.879 1.00 0.00 C ATOM 1006 NZ LYS A 63 20.154 22.540 14.518 1.00 0.00 N ATOM 0 H LYS A 63 21.719 19.697 9.169 1.00 0.00 H new ATOM 0 HA LYS A 63 19.019 20.399 10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.551 22.010 9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.008 22.772 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.883 21.337 12.215 1.00 0.00 H new ATOM 0 HG3 LYS A 63 21.544 20.869 11.909 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.235 23.276 11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.573 23.761 12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.136 21.915 14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 63 21.963 23.641 14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.146 22.973 15.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.409 22.971 13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.979 21.518 14.604 1.00 0.00 H new ATOM 1020 N GLU A 64 19.663 20.144 7.289 1.00 0.00 N ATOM 1021 CA GLU A 64 19.225 20.401 5.886 1.00 0.00 C ATOM 1022 C GLU A 64 19.899 21.674 5.361 1.00 0.00 C ATOM 1023 O GLU A 64 20.761 21.622 4.505 1.00 0.00 O ATOM 1024 CB GLU A 64 17.699 20.564 5.839 1.00 0.00 C ATOM 1025 CG GLU A 64 17.198 20.335 4.410 1.00 0.00 C ATOM 1026 CD GLU A 64 15.677 20.493 4.369 1.00 0.00 C ATOM 1027 OE1 GLU A 64 15.056 20.331 5.406 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.159 20.774 3.302 1.00 0.00 O ATOM 0 H GLU A 64 20.182 19.276 7.425 1.00 0.00 H new ATOM 0 HA GLU A 64 19.513 19.557 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.227 19.854 6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.420 21.562 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.666 21.047 3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.480 19.338 4.070 1.00 0.00 H new HETATM 1035 N SEP A 65 19.514 22.816 5.865 1.00 0.00 N HETATM 1036 CA SEP A 65 20.133 24.091 5.393 1.00 0.00 C HETATM 1037 CB SEP A 65 19.367 24.608 4.175 1.00 0.00 C HETATM 1038 OG SEP A 65 17.980 24.662 4.482 1.00 0.00 O HETATM 1039 C SEP A 65 20.073 25.132 6.512 1.00 0.00 C HETATM 1040 O SEP A 65 19.677 24.840 7.624 1.00 0.00 O HETATM 1041 P SEP A 65 16.949 24.820 3.355 1.00 0.00 P HETATM 1042 O1P SEP A 65 15.556 24.875 4.071 1.00 0.00 O HETATM 1043 O2P SEP A 65 17.327 26.159 2.634 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.131 23.555 2.448 1.00 0.00 O HETATM 0 HB3 SEP A 65 19.729 25.598 3.897 1.00 0.00 H new HETATM 0 HB2 SEP A 65 19.537 23.954 3.319 1.00 0.00 H new HETATM 0 HA SEP A 65 21.173 23.911 5.120 1.00 0.00 H new HETATM 1049 N TPO A 66 20.462 26.345 6.229 1.00 0.00 N HETATM 1050 CA TPO A 66 20.428 27.403 7.277 1.00 0.00 C HETATM 1051 CB TPO A 66 18.980 27.657 7.702 1.00 0.00 C HETATM 1052 CG2 TPO A 66 18.901 28.959 8.502 1.00 0.00 C HETATM 1053 OG1 TPO A 66 18.160 27.757 6.546 1.00 0.00 O HETATM 1054 P TPO A 66 16.677 28.135 6.686 1.00 0.00 P HETATM 1055 O1P TPO A 66 15.965 27.474 5.456 1.00 0.00 O HETATM 1056 O2P TPO A 66 16.644 29.701 6.653 1.00 0.00 O HETATM 1057 O3P TPO A 66 16.226 27.534 8.062 1.00 0.00 O HETATM 1058 C TPO A 66 21.243 26.947 8.488 1.00 0.00 C HETATM 1059 O TPO A 66 20.700 26.570 9.507 1.00 0.00 O HETATM 0 HG23 TPO A 66 19.530 28.880 9.389 1.00 0.00 H new HETATM 0 HG22 TPO A 66 19.248 29.787 7.884 1.00 0.00 H new HETATM 0 HG21 TPO A 66 17.869 29.138 8.804 1.00 0.00 H new HETATM 0 HB TPO A 66 18.633 26.831 8.323 1.00 0.00 H new HETATM 0 HA TPO A 66 20.854 28.323 6.877 1.00 0.00 H new ATOM 1066 N LEU A 67 22.546 26.976 8.384 1.00 0.00 N ATOM 1067 CA LEU A 67 23.397 26.542 9.531 1.00 0.00 C ATOM 1068 C LEU A 67 23.592 27.718 10.493 1.00 0.00 C ATOM 1069 O LEU A 67 24.153 28.735 10.137 1.00 0.00 O ATOM 1070 CB LEU A 67 24.761 26.079 9.003 1.00 0.00 C ATOM 1071 CG LEU A 67 24.640 24.669 8.419 1.00 0.00 C ATOM 1072 CD1 LEU A 67 23.515 24.636 7.378 1.00 0.00 C ATOM 1073 CD2 LEU A 67 25.964 24.282 7.753 1.00 0.00 C ATOM 0 H LEU A 67 23.057 27.281 7.556 1.00 0.00 H new ATOM 0 HA LEU A 67 22.912 25.720 10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.119 26.769 8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.495 26.087 9.809 1.00 0.00 H new ATOM 0 HG LEU A 67 24.411 23.963 9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.432 23.631 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 67 22.573 24.913 7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.740 25.341 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.882 23.278 7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 67 26.190 24.989 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.764 24.303 8.494 1.00 0.00 H new ATOM 1085 N HIS A 68 23.131 27.577 11.712 1.00 0.00 N ATOM 1086 CA HIS A 68 23.279 28.674 12.722 1.00 0.00 C ATOM 1087 C HIS A 68 24.234 28.217 13.828 1.00 0.00 C ATOM 1088 O HIS A 68 24.140 27.111 14.320 1.00 0.00 O ATOM 1089 CB HIS A 68 21.910 28.985 13.333 1.00 0.00 C ATOM 1090 CG HIS A 68 21.398 27.775 14.064 1.00 0.00 C ATOM 1091 ND1 HIS A 68 20.736 26.743 13.414 1.00 0.00 N ATOM 1092 CD2 HIS A 68 21.444 27.417 15.389 1.00 0.00 C ATOM 1093 CE1 HIS A 68 20.412 25.822 14.340 1.00 0.00 C ATOM 1094 NE2 HIS A 68 20.821 26.186 15.557 1.00 0.00 N ATOM 0 H HIS A 68 22.655 26.742 12.054 1.00 0.00 H new ATOM 0 HA HIS A 68 23.677 29.567 12.239 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.989 29.830 14.018 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.208 29.274 12.551 1.00 0.00 H new ATOM 0 HD2 HIS A 68 21.894 28.001 16.178 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.887 24.903 14.125 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.701 25.669 16.428 1.00 0.00 H new ATOM 1103 N LEU A 69 25.142 29.072 14.230 1.00 0.00 N ATOM 1104 CA LEU A 69 26.114 28.719 15.317 1.00 0.00 C ATOM 1105 C LEU A 69 26.043 29.817 16.385 1.00 0.00 C ATOM 1106 O LEU A 69 25.710 30.948 16.092 1.00 0.00 O ATOM 1107 CB LEU A 69 27.543 28.664 14.736 1.00 0.00 C ATOM 1108 CG LEU A 69 27.853 27.266 14.168 1.00 0.00 C ATOM 1109 CD1 LEU A 69 27.043 27.001 12.882 1.00 0.00 C ATOM 1110 CD2 LEU A 69 29.354 27.187 13.858 1.00 0.00 C ATOM 0 H LEU A 69 25.254 30.011 13.848 1.00 0.00 H new ATOM 0 HA LEU A 69 25.868 27.748 15.746 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.649 29.412 13.950 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.266 28.913 15.513 1.00 0.00 H new ATOM 0 HG LEU A 69 27.575 26.511 14.904 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.280 26.008 12.501 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.978 27.060 13.104 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.298 27.748 12.131 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.591 26.203 13.455 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.615 27.951 13.126 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.924 27.351 14.773 1.00 0.00 H new ATOM 1122 N VAL A 70 26.358 29.500 17.619 1.00 0.00 N ATOM 1123 CA VAL A 70 26.315 30.531 18.705 1.00 0.00 C ATOM 1124 C VAL A 70 27.585 30.414 19.546 1.00 0.00 C ATOM 1125 O VAL A 70 27.845 29.394 20.154 1.00 0.00 O ATOM 1126 CB VAL A 70 25.092 30.284 19.590 1.00 0.00 C ATOM 1127 CG1 VAL A 70 25.041 31.334 20.702 1.00 0.00 C ATOM 1128 CG2 VAL A 70 23.822 30.381 18.741 1.00 0.00 C ATOM 0 H VAL A 70 26.644 28.569 17.921 1.00 0.00 H new ATOM 0 HA VAL A 70 26.250 31.528 18.270 1.00 0.00 H new ATOM 0 HB VAL A 70 25.161 29.291 20.033 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.169 31.156 21.331 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.945 31.267 21.307 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.973 32.328 20.261 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.949 30.205 19.370 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.756 31.375 18.298 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.855 29.632 17.950 1.00 0.00 H new ATOM 1138 N LEU A 71 28.383 31.447 19.588 1.00 0.00 N ATOM 1139 CA LEU A 71 29.642 31.400 20.387 1.00 0.00 C ATOM 1140 C LEU A 71 29.345 31.801 21.832 1.00 0.00 C ATOM 1141 O LEU A 71 28.470 32.604 22.090 1.00 0.00 O ATOM 1142 CB LEU A 71 30.660 32.375 19.770 1.00 0.00 C ATOM 1143 CG LEU A 71 32.035 32.261 20.487 1.00 0.00 C ATOM 1144 CD1 LEU A 71 33.172 32.422 19.470 1.00 0.00 C ATOM 1145 CD2 LEU A 71 32.178 33.360 21.551 1.00 0.00 C ATOM 0 H LEU A 71 28.216 32.327 19.100 1.00 0.00 H new ATOM 0 HA LEU A 71 30.052 30.390 20.378 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.779 32.160 18.708 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.287 33.396 19.849 1.00 0.00 H new ATOM 0 HG LEU A 71 32.090 31.281 20.960 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.131 32.341 19.981 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.097 31.641 18.713 1.00 0.00 H new ATOM 0 HD13 LEU A 71 33.097 33.399 18.992 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.146 33.266 22.043 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.106 34.338 21.076 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.383 33.257 22.290 1.00 0.00 H new ATOM 1157 N ARG A 72 30.076 31.258 22.778 1.00 0.00 N ATOM 1158 CA ARG A 72 29.860 31.606 24.219 1.00 0.00 C ATOM 1159 C ARG A 72 31.127 32.283 24.749 1.00 0.00 C ATOM 1160 O ARG A 72 32.216 32.025 24.272 1.00 0.00 O ATOM 1161 CB ARG A 72 29.599 30.321 25.015 1.00 0.00 C ATOM 1162 CG ARG A 72 28.989 30.671 26.374 1.00 0.00 C ATOM 1163 CD ARG A 72 28.929 29.416 27.246 1.00 0.00 C ATOM 1164 NE ARG A 72 28.161 29.710 28.491 1.00 0.00 N ATOM 1165 CZ ARG A 72 26.857 29.632 28.495 1.00 0.00 C ATOM 1166 NH1 ARG A 72 26.191 29.886 29.589 1.00 0.00 N ATOM 1167 NH2 ARG A 72 26.217 29.300 27.407 1.00 0.00 N ATOM 0 H ARG A 72 30.821 30.581 22.610 1.00 0.00 H new ATOM 0 HA ARG A 72 29.006 32.275 24.322 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.925 29.669 24.460 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.531 29.772 25.154 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.586 31.440 26.865 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.988 31.082 26.240 1.00 0.00 H new ATOM 0 HD2 ARG A 72 28.455 28.602 26.698 1.00 0.00 H new ATOM 0 HD3 ARG A 72 29.937 29.087 27.497 1.00 0.00 H new ATOM 0 HE ARG A 72 28.656 29.973 29.343 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.689 30.145 30.441 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.173 29.825 29.592 1.00 0.00 H new ATOM 0 HH21 ARG A 72 26.735 29.101 26.551 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.199 29.240 27.413 1.00 0.00 H new ATOM 1181 N LEU A 73 31.005 33.145 25.730 1.00 0.00 N ATOM 1182 CA LEU A 73 32.212 33.834 26.287 1.00 0.00 C ATOM 1183 C LEU A 73 32.642 33.136 27.580 1.00 0.00 C ATOM 1184 O LEU A 73 31.830 32.583 28.296 1.00 0.00 O ATOM 1185 CB LEU A 73 31.870 35.298 26.597 1.00 0.00 C ATOM 1186 CG LEU A 73 31.823 36.114 25.298 1.00 0.00 C ATOM 1187 CD1 LEU A 73 30.615 35.690 24.454 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.708 37.601 25.643 1.00 0.00 C ATOM 0 H LEU A 73 30.121 33.401 26.169 1.00 0.00 H new ATOM 0 HA LEU A 73 33.021 33.793 25.558 1.00 0.00 H new ATOM 0 HB2 LEU A 73 30.908 35.355 27.107 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.614 35.718 27.273 1.00 0.00 H new ATOM 0 HG LEU A 73 32.734 35.935 24.727 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.590 36.275 23.534 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.696 34.631 24.209 1.00 0.00 H new ATOM 0 HD13 LEU A 73 29.698 35.862 25.018 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.674 38.186 24.724 1.00 0.00 H new ATOM 0 HD22 LEU A 73 30.797 37.772 26.216 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.571 37.905 26.235 1.00 0.00 H new ATOM 1200 N ARG A 74 33.911 33.162 27.888 1.00 0.00 N ATOM 1201 CA ARG A 74 34.391 32.508 29.140 1.00 0.00 C ATOM 1202 C ARG A 74 33.781 31.109 29.260 1.00 0.00 C ATOM 1203 O ARG A 74 33.157 30.777 30.249 1.00 0.00 O ATOM 1204 CB ARG A 74 33.976 33.351 30.347 1.00 0.00 C ATOM 1205 CG ARG A 74 34.822 34.626 30.391 1.00 0.00 C ATOM 1206 CD ARG A 74 34.329 35.527 31.525 1.00 0.00 C ATOM 1207 NE ARG A 74 33.006 36.106 31.163 1.00 0.00 N ATOM 1208 CZ ARG A 74 32.417 36.945 31.970 1.00 0.00 C ATOM 1209 NH1 ARG A 74 31.257 37.452 31.653 1.00 0.00 N ATOM 1210 NH2 ARG A 74 32.988 37.277 33.097 1.00 0.00 N ATOM 0 H ARG A 74 34.636 33.608 27.327 1.00 0.00 H new ATOM 0 HA ARG A 74 35.477 32.425 29.109 1.00 0.00 H new ATOM 0 HB2 ARG A 74 32.918 33.605 30.281 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.110 32.781 31.266 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.871 34.374 30.543 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.755 35.152 29.439 1.00 0.00 H new ATOM 0 HD2 ARG A 74 34.246 34.954 32.449 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.049 36.325 31.708 1.00 0.00 H new ATOM 0 HE ARG A 74 32.560 35.846 30.283 1.00 0.00 H new ATOM 0 HH11 ARG A 74 30.810 37.192 30.774 1.00 0.00 H new ATOM 0 HH12 ARG A 74 30.797 38.108 32.285 1.00 0.00 H new ATOM 0 HH21 ARG A 74 33.894 36.880 33.346 1.00 0.00 H new ATOM 0 HH22 ARG A 74 32.528 37.933 33.728 1.00 0.00 H new ATOM 1224 N GLY A 75 33.956 30.286 28.263 1.00 0.00 N ATOM 1225 CA GLY A 75 33.387 28.910 28.327 1.00 0.00 C ATOM 1226 C GLY A 75 33.988 28.165 29.519 1.00 0.00 C ATOM 1227 O GLY A 75 33.313 27.424 30.207 1.00 0.00 O ATOM 0 H GLY A 75 34.467 30.506 27.408 1.00 0.00 H new ATOM 0 HA2 GLY A 75 32.302 28.958 28.424 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.601 28.373 27.403 1.00 0.00 H new ATOM 1231 N GLY A 76 35.254 28.356 29.773 1.00 0.00 N ATOM 1232 CA GLY A 76 35.899 27.659 30.923 1.00 0.00 C ATOM 1233 C GLY A 76 37.178 28.400 31.316 1.00 0.00 C ATOM 1234 O GLY A 76 38.237 27.992 30.868 1.00 0.00 O ATOM 1235 OXT GLY A 76 37.078 29.362 32.059 1.00 0.00 O ATOM 0 H GLY A 76 35.870 28.965 29.234 1.00 0.00 H new ATOM 0 HA2 GLY A 76 35.214 27.621 31.770 1.00 0.00 H new ATOM 0 HA3 GLY A 76 36.131 26.629 30.654 1.00 0.00 H new TER 1239 GLY A 76