USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 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 66 THR OG1 : rot 180:sc= 0.0425 USER MOD Set 1.2: A 68 HIS : no HE2:sc= -2.93! C(o=-2.9!,f=-6.4!) USER MOD Single : A 1 MET CE :methyl 177:sc= -0.0594 (180deg=-0.071) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0227 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -136:sc= -0.0425 (180deg=-0.43) USER MOD Single : A 7 THR OG1 : rot -65:sc= 0.588 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= -0.118 (180deg=-0.747) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.398 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0131 F(o=-1.3,f=-0.013) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0.224 (180deg=0.223) USER MOD Single : A 31 GLN : amide:sc= -2.2 X(o=-2.2,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.297) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.0755 (180deg=-0.614) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -2:sc= 0.353 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.159 USER MOD Single : A 60 ASN : amide:sc= -0.717 K(o=-0.72,f=-2.9!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= -0.139 (180deg=-0.832) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.162 26.981 -0.521 1.00 0.00 N ATOM 2 CA MET A 1 29.444 26.782 0.769 1.00 0.00 C ATOM 3 C MET A 1 29.949 27.795 1.788 1.00 0.00 C ATOM 4 O MET A 1 31.142 28.097 1.839 1.00 0.00 O ATOM 5 CB MET A 1 29.690 25.357 1.274 1.00 0.00 C ATOM 6 CG MET A 1 28.803 25.069 2.489 1.00 0.00 C ATOM 7 SD MET A 1 29.558 25.788 3.968 1.00 0.00 S ATOM 8 CE MET A 1 28.854 24.629 5.166 1.00 0.00 C ATOM 0 H1 MET A 1 30.353 26.057 -0.958 1.00 0.00 H new ATOM 0 H2 MET A 1 29.574 27.552 -1.161 1.00 0.00 H new ATOM 0 H3 MET A 1 31.061 27.473 -0.346 1.00 0.00 H new ATOM 0 HA MET A 1 28.374 26.927 0.623 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.478 24.640 0.481 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.739 25.234 1.543 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.809 25.488 2.335 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.680 23.994 2.616 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.237 24.857 6.161 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.768 24.720 5.165 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.133 23.611 4.895 1.00 0.00 H new ATOM 20 N GLN A 2 29.034 28.316 2.602 1.00 0.00 N ATOM 21 CA GLN A 2 29.390 29.298 3.624 1.00 0.00 C ATOM 22 C GLN A 2 28.492 29.155 4.852 1.00 0.00 C ATOM 23 O GLN A 2 27.460 28.485 4.807 1.00 0.00 O ATOM 24 CB GLN A 2 29.251 30.710 3.051 1.00 0.00 C ATOM 25 CG GLN A 2 27.784 30.980 2.704 1.00 0.00 C ATOM 26 CD GLN A 2 27.670 32.251 1.869 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.961 32.238 0.672 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.261 33.356 2.431 1.00 0.00 N ATOM 0 H GLN A 2 28.043 28.076 2.574 1.00 0.00 H new ATOM 0 HA GLN A 2 30.422 29.122 3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 2 29.605 31.444 3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.871 30.815 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.371 30.135 2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.199 31.082 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 2 27.020 33.365 3.422 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.182 34.210 1.879 1.00 0.00 H new ATOM 37 N ILE A 3 28.889 29.808 5.944 1.00 0.00 N ATOM 38 CA ILE A 3 28.115 29.771 7.182 1.00 0.00 C ATOM 39 C ILE A 3 28.153 31.128 7.883 1.00 0.00 C ATOM 40 O ILE A 3 29.149 31.847 7.816 1.00 0.00 O ATOM 41 CB ILE A 3 28.667 28.698 8.120 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.121 29.020 8.497 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.621 27.336 7.427 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.592 28.054 9.579 1.00 0.00 C ATOM 0 H ILE A 3 29.740 30.367 5.995 1.00 0.00 H new ATOM 0 HA ILE A 3 27.082 29.533 6.928 1.00 0.00 H new ATOM 0 HB ILE A 3 28.057 28.675 9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.762 28.940 7.619 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.196 30.047 8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.015 26.573 8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.590 27.094 7.168 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.225 27.369 6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.624 28.282 9.847 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.958 28.156 10.459 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.532 27.032 9.205 1.00 0.00 H new ATOM 56 N PHE A 4 27.055 31.473 8.545 1.00 0.00 N ATOM 57 CA PHE A 4 26.950 32.749 9.258 1.00 0.00 C ATOM 58 C PHE A 4 27.254 32.557 10.738 1.00 0.00 C ATOM 59 O PHE A 4 26.662 31.693 11.382 1.00 0.00 O ATOM 60 CB PHE A 4 25.536 33.309 9.099 1.00 0.00 C ATOM 61 CG PHE A 4 25.346 33.831 7.695 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.913 32.968 6.681 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.596 35.178 7.409 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.730 33.453 5.380 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.414 35.663 6.107 1.00 0.00 C ATOM 66 CZ PHE A 4 24.980 34.800 5.094 1.00 0.00 C ATOM 0 H PHE A 4 26.221 30.889 8.605 1.00 0.00 H new ATOM 0 HA PHE A 4 27.673 33.447 8.836 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.802 32.532 9.310 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.369 34.109 9.820 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.720 31.929 6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.929 35.844 8.192 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.396 32.788 4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.608 36.702 5.885 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.838 35.174 4.091 1.00 0.00 H new ATOM 76 N VAL A 5 28.159 33.377 11.288 1.00 0.00 N ATOM 77 CA VAL A 5 28.508 33.290 12.707 1.00 0.00 C ATOM 78 C VAL A 5 28.000 34.518 13.448 1.00 0.00 C ATOM 79 O VAL A 5 28.425 35.644 13.190 1.00 0.00 O ATOM 80 CB VAL A 5 30.025 33.166 12.871 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.412 33.381 14.342 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.440 31.756 12.457 1.00 0.00 C ATOM 0 H VAL A 5 28.658 34.103 10.774 1.00 0.00 H new ATOM 0 HA VAL A 5 28.036 32.404 13.130 1.00 0.00 H new ATOM 0 HB VAL A 5 30.523 33.914 12.254 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.493 33.291 14.451 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.097 34.375 14.660 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.921 32.630 14.961 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.519 31.647 12.567 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.935 31.027 13.091 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.162 31.586 11.417 1.00 0.00 H new ATOM 92 N LYS A 6 27.081 34.274 14.357 1.00 0.00 N ATOM 93 CA LYS A 6 26.482 35.341 15.149 1.00 0.00 C ATOM 94 C LYS A 6 27.249 35.540 16.458 1.00 0.00 C ATOM 95 O LYS A 6 27.137 34.737 17.383 1.00 0.00 O ATOM 96 CB LYS A 6 25.032 34.959 15.435 1.00 0.00 C ATOM 97 CG LYS A 6 24.230 36.179 15.871 1.00 0.00 C ATOM 98 CD LYS A 6 22.766 35.760 16.036 1.00 0.00 C ATOM 99 CE LYS A 6 21.909 36.971 16.398 1.00 0.00 C ATOM 100 NZ LYS A 6 22.380 37.544 17.689 1.00 0.00 N ATOM 0 H LYS A 6 26.727 33.342 14.571 1.00 0.00 H new ATOM 0 HA LYS A 6 26.524 36.281 14.598 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.583 34.522 14.543 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.998 34.198 16.214 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.620 36.574 16.809 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.316 36.974 15.130 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.402 35.311 15.112 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.683 35.001 16.814 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.971 37.722 15.610 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.862 36.678 16.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.560 37.769 18.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.985 36.852 18.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.924 38.411 17.506 1.00 0.00 H new ATOM 114 N THR A 7 28.030 36.617 16.526 1.00 0.00 N ATOM 115 CA THR A 7 28.814 36.908 17.727 1.00 0.00 C ATOM 116 C THR A 7 27.892 37.353 18.858 1.00 0.00 C ATOM 117 O THR A 7 26.717 37.636 18.627 1.00 0.00 O ATOM 118 CB THR A 7 29.849 37.998 17.438 1.00 0.00 C ATOM 119 OG1 THR A 7 29.181 39.202 17.085 1.00 0.00 O ATOM 120 CG2 THR A 7 30.761 37.552 16.289 1.00 0.00 C ATOM 0 H THR A 7 28.137 37.296 15.773 1.00 0.00 H new ATOM 0 HA THR A 7 29.337 36.001 18.029 1.00 0.00 H new ATOM 0 HB THR A 7 30.455 38.170 18.327 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.700 39.074 16.241 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.497 38.330 16.085 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.274 36.632 16.568 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.162 37.377 15.396 1.00 0.00 H new ATOM 128 N LEU A 8 28.414 37.416 20.083 1.00 0.00 N ATOM 129 CA LEU A 8 27.599 37.824 21.221 1.00 0.00 C ATOM 130 C LEU A 8 27.368 39.333 21.222 1.00 0.00 C ATOM 131 O LEU A 8 26.335 39.808 21.692 1.00 0.00 O ATOM 132 CB LEU A 8 28.287 37.414 22.532 1.00 0.00 C ATOM 133 CG LEU A 8 27.298 37.547 23.712 1.00 0.00 C ATOM 134 CD1 LEU A 8 26.448 36.277 23.838 1.00 0.00 C ATOM 135 CD2 LEU A 8 28.072 37.762 25.019 1.00 0.00 C ATOM 0 H LEU A 8 29.383 37.193 20.309 1.00 0.00 H new ATOM 0 HA LEU A 8 26.633 37.325 21.138 1.00 0.00 H new ATOM 0 HB2 LEU A 8 28.643 36.386 22.459 1.00 0.00 H new ATOM 0 HB3 LEU A 8 29.160 38.043 22.706 1.00 0.00 H new ATOM 0 HG LEU A 8 26.647 38.401 23.524 1.00 0.00 H new ATOM 0 HD11 LEU A 8 25.756 36.384 24.673 1.00 0.00 H new ATOM 0 HD12 LEU A 8 25.885 36.123 22.917 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.098 35.420 24.013 1.00 0.00 H new ATOM 0 HD21 LEU A 8 27.369 37.855 25.847 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.731 36.912 25.196 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.667 38.672 24.944 1.00 0.00 H new ATOM 147 N THR A 9 28.333 40.084 20.704 1.00 0.00 N ATOM 148 CA THR A 9 28.208 41.537 20.670 1.00 0.00 C ATOM 149 C THR A 9 27.132 41.955 19.676 1.00 0.00 C ATOM 150 O THR A 9 26.723 43.114 19.640 1.00 0.00 O ATOM 151 CB THR A 9 29.543 42.175 20.279 1.00 0.00 C ATOM 152 OG1 THR A 9 30.553 41.746 21.181 1.00 0.00 O ATOM 153 CG2 THR A 9 29.420 43.700 20.338 1.00 0.00 C ATOM 0 H THR A 9 29.199 39.718 20.307 1.00 0.00 H new ATOM 0 HA THR A 9 27.925 41.880 21.665 1.00 0.00 H new ATOM 0 HB THR A 9 29.807 41.873 19.265 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.409 42.152 20.931 1.00 0.00 H new ATOM 0 HG21 THR A 9 30.372 44.153 20.059 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.645 44.030 19.646 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.156 44.005 21.351 1.00 0.00 H new ATOM 161 N GLY A 10 26.669 41.002 18.870 1.00 0.00 N ATOM 162 CA GLY A 10 25.633 41.284 17.879 1.00 0.00 C ATOM 163 C GLY A 10 26.250 41.555 16.514 1.00 0.00 C ATOM 164 O GLY A 10 25.562 41.986 15.588 1.00 0.00 O ATOM 0 H GLY A 10 26.992 40.035 18.883 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.948 40.439 17.812 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.046 42.146 18.195 1.00 0.00 H new ATOM 168 N LYS A 11 27.547 41.274 16.380 1.00 0.00 N ATOM 169 CA LYS A 11 28.238 41.462 15.107 1.00 0.00 C ATOM 170 C LYS A 11 28.175 40.179 14.291 1.00 0.00 C ATOM 171 O LYS A 11 28.723 39.154 14.691 1.00 0.00 O ATOM 172 CB LYS A 11 29.700 41.851 15.349 1.00 0.00 C ATOM 173 CG LYS A 11 30.391 42.126 14.008 1.00 0.00 C ATOM 174 CD LYS A 11 31.812 42.640 14.257 1.00 0.00 C ATOM 175 CE LYS A 11 32.466 43.006 12.923 1.00 0.00 C ATOM 176 NZ LYS A 11 31.686 44.096 12.270 1.00 0.00 N ATOM 0 H LYS A 11 28.136 40.918 17.133 1.00 0.00 H new ATOM 0 HA LYS A 11 27.747 42.264 14.556 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.751 42.736 15.983 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.217 41.050 15.878 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.423 41.215 13.410 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.822 42.861 13.439 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.785 43.511 14.912 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.402 41.877 14.766 1.00 0.00 H new ATOM 0 HE2 LYS A 11 33.495 43.328 13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.505 42.132 12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.301 44.618 11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.888 43.685 11.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.324 44.747 12.996 1.00 0.00 H new ATOM 190 N THR A 12 27.504 40.236 13.150 1.00 0.00 N ATOM 191 CA THR A 12 27.377 39.064 12.290 1.00 0.00 C ATOM 192 C THR A 12 28.506 39.030 11.265 1.00 0.00 C ATOM 193 O THR A 12 28.684 39.975 10.498 1.00 0.00 O ATOM 194 CB THR A 12 26.037 39.108 11.556 1.00 0.00 C ATOM 195 OG1 THR A 12 24.980 39.033 12.501 1.00 0.00 O ATOM 196 CG2 THR A 12 25.940 37.927 10.582 1.00 0.00 C ATOM 0 H THR A 12 27.041 41.074 12.798 1.00 0.00 H new ATOM 0 HA THR A 12 27.432 38.170 12.911 1.00 0.00 H new ATOM 0 HB THR A 12 25.961 40.040 10.997 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.120 39.063 12.033 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.983 37.963 10.061 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.751 37.987 9.856 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.017 36.991 11.136 1.00 0.00 H new ATOM 204 N ILE A 13 29.263 37.934 11.247 1.00 0.00 N ATOM 205 CA ILE A 13 30.370 37.786 10.298 1.00 0.00 C ATOM 206 C ILE A 13 30.299 36.421 9.627 1.00 0.00 C ATOM 207 O ILE A 13 30.122 35.398 10.287 1.00 0.00 O ATOM 208 CB ILE A 13 31.710 37.930 11.023 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.851 37.990 9.997 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.914 36.731 11.951 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.198 37.977 10.723 1.00 0.00 C ATOM 0 H ILE A 13 29.133 37.139 11.873 1.00 0.00 H new ATOM 0 HA ILE A 13 30.288 38.566 9.541 1.00 0.00 H new ATOM 0 HB ILE A 13 31.709 38.849 11.609 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.786 37.141 9.316 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.762 38.892 9.392 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.868 36.830 12.469 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.106 36.695 12.682 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.914 35.812 11.364 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.006 38.020 9.992 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.262 38.840 11.386 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.287 37.062 11.309 1.00 0.00 H new ATOM 223 N THR A 14 30.405 36.419 8.306 1.00 0.00 N ATOM 224 CA THR A 14 30.321 35.179 7.540 1.00 0.00 C ATOM 225 C THR A 14 31.669 34.466 7.497 1.00 0.00 C ATOM 226 O THR A 14 32.729 35.094 7.462 1.00 0.00 O ATOM 227 CB THR A 14 29.836 35.482 6.119 1.00 0.00 C ATOM 228 OG1 THR A 14 28.602 36.184 6.193 1.00 0.00 O ATOM 229 CG2 THR A 14 29.629 34.172 5.349 1.00 0.00 C ATOM 0 H THR A 14 30.549 37.257 7.742 1.00 0.00 H new ATOM 0 HA THR A 14 29.608 34.517 8.032 1.00 0.00 H new ATOM 0 HB THR A 14 30.580 36.087 5.601 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.865 35.543 6.272 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.284 34.394 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.571 33.627 5.299 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.884 33.563 5.861 1.00 0.00 H new ATOM 237 N LEU A 15 31.602 33.137 7.516 1.00 0.00 N ATOM 238 CA LEU A 15 32.790 32.284 7.497 1.00 0.00 C ATOM 239 C LEU A 15 32.778 31.365 6.273 1.00 0.00 C ATOM 240 O LEU A 15 31.794 30.670 6.014 1.00 0.00 O ATOM 241 CB LEU A 15 32.796 31.433 8.792 1.00 0.00 C ATOM 242 CG LEU A 15 34.189 31.404 9.442 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.425 32.709 10.208 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.266 30.225 10.419 1.00 0.00 C ATOM 0 H LEU A 15 30.723 32.620 7.545 1.00 0.00 H new ATOM 0 HA LEU A 15 33.684 32.905 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.072 31.839 9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.480 30.416 8.561 1.00 0.00 H new ATOM 0 HG LEU A 15 34.949 31.294 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.413 32.687 10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.364 33.551 9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.666 32.819 10.983 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.252 30.200 10.882 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.505 30.342 11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.095 29.293 9.879 1.00 0.00 H new ATOM 256 N GLU A 16 33.888 31.342 5.548 1.00 0.00 N ATOM 257 CA GLU A 16 34.013 30.471 4.377 1.00 0.00 C ATOM 258 C GLU A 16 34.733 29.194 4.793 1.00 0.00 C ATOM 259 O GLU A 16 35.847 29.249 5.311 1.00 0.00 O ATOM 260 CB GLU A 16 34.804 31.173 3.269 1.00 0.00 C ATOM 261 CG GLU A 16 34.776 30.315 2.001 1.00 0.00 C ATOM 262 CD GLU A 16 35.363 31.095 0.830 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.536 31.424 0.891 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.632 31.352 -0.112 1.00 0.00 O ATOM 0 H GLU A 16 34.712 31.910 5.744 1.00 0.00 H new ATOM 0 HA GLU A 16 33.020 30.235 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.375 32.154 3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.833 31.335 3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.344 29.399 2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.752 30.019 1.775 1.00 0.00 H new ATOM 271 N VAL A 17 34.099 28.045 4.568 1.00 0.00 N ATOM 272 CA VAL A 17 34.708 26.763 4.936 1.00 0.00 C ATOM 273 C VAL A 17 34.189 25.639 4.044 1.00 0.00 C ATOM 274 O VAL A 17 33.278 25.826 3.240 1.00 0.00 O ATOM 275 CB VAL A 17 34.423 26.451 6.417 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.912 26.397 6.674 1.00 0.00 C ATOM 277 CG2 VAL A 17 35.042 25.111 6.834 1.00 0.00 C ATOM 0 H VAL A 17 33.177 27.972 4.139 1.00 0.00 H new ATOM 0 HA VAL A 17 35.786 26.837 4.792 1.00 0.00 H new ATOM 0 HB VAL A 17 34.872 27.250 7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.729 26.175 7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.466 27.359 6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.465 25.618 6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.823 24.920 7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.622 24.311 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.122 25.148 6.690 1.00 0.00 H new ATOM 287 N GLU A 18 34.776 24.476 4.230 1.00 0.00 N ATOM 288 CA GLU A 18 34.389 23.272 3.484 1.00 0.00 C ATOM 289 C GLU A 18 33.405 22.448 4.324 1.00 0.00 C ATOM 290 O GLU A 18 33.588 22.328 5.535 1.00 0.00 O ATOM 291 CB GLU A 18 35.623 22.430 3.164 1.00 0.00 C ATOM 292 CG GLU A 18 36.731 23.337 2.625 1.00 0.00 C ATOM 293 CD GLU A 18 37.913 22.496 2.160 1.00 0.00 C ATOM 294 OE1 GLU A 18 38.102 21.421 2.706 1.00 0.00 O ATOM 295 OE2 GLU A 18 38.613 22.937 1.264 1.00 0.00 O ATOM 0 H GLU A 18 35.533 24.327 4.897 1.00 0.00 H new ATOM 0 HA GLU A 18 33.914 23.569 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.966 21.912 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 18 35.374 21.665 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 18 36.352 23.935 1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 18 37.052 24.033 3.400 1.00 0.00 H new ATOM 302 N PRO A 19 32.368 21.887 3.741 1.00 0.00 N ATOM 303 CA PRO A 19 31.367 21.097 4.519 1.00 0.00 C ATOM 304 C PRO A 19 31.960 19.809 5.088 1.00 0.00 C ATOM 305 O PRO A 19 31.300 19.095 5.843 1.00 0.00 O ATOM 306 CB PRO A 19 30.254 20.807 3.498 1.00 0.00 C ATOM 307 CG PRO A 19 30.933 20.861 2.168 1.00 0.00 C ATOM 308 CD PRO A 19 32.034 21.917 2.302 1.00 0.00 C ATOM 0 HA PRO A 19 31.007 21.638 5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.802 19.831 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.454 21.545 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 19 31.353 19.890 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.229 21.129 1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.899 21.676 1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.685 22.902 1.991 1.00 0.00 H new ATOM 316 N SER A 20 33.207 19.521 4.726 1.00 0.00 N ATOM 317 CA SER A 20 33.883 18.319 5.211 1.00 0.00 C ATOM 318 C SER A 20 34.814 18.672 6.367 1.00 0.00 C ATOM 319 O SER A 20 35.107 17.830 7.217 1.00 0.00 O ATOM 320 CB SER A 20 34.677 17.675 4.076 1.00 0.00 C ATOM 321 OG SER A 20 33.770 17.176 3.100 1.00 0.00 O ATOM 0 H SER A 20 33.769 20.100 4.102 1.00 0.00 H new ATOM 0 HA SER A 20 33.135 17.611 5.566 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.350 18.405 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 20 35.297 16.866 4.462 1.00 0.00 H new ATOM 0 HG SER A 20 34.273 16.763 2.367 1.00 0.00 H new ATOM 327 N ASP A 21 35.290 19.916 6.387 1.00 0.00 N ATOM 328 CA ASP A 21 36.192 20.361 7.433 1.00 0.00 C ATOM 329 C ASP A 21 35.619 20.028 8.803 1.00 0.00 C ATOM 330 O ASP A 21 34.397 19.962 8.983 1.00 0.00 O ATOM 331 CB ASP A 21 36.391 21.875 7.311 1.00 0.00 C ATOM 332 CG ASP A 21 37.377 22.199 6.192 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.842 21.270 5.552 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.647 23.370 5.988 1.00 0.00 O ATOM 0 H ASP A 21 35.064 20.627 5.691 1.00 0.00 H new ATOM 0 HA ASP A 21 37.149 19.851 7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.434 22.358 7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.760 22.276 8.255 1.00 0.00 H new ATOM 339 N THR A 22 36.511 19.823 9.767 1.00 0.00 N ATOM 340 CA THR A 22 36.090 19.504 11.121 1.00 0.00 C ATOM 341 C THR A 22 35.743 20.778 11.889 1.00 0.00 C ATOM 342 O THR A 22 35.878 21.895 11.374 1.00 0.00 O ATOM 343 CB THR A 22 37.193 18.739 11.855 1.00 0.00 C ATOM 344 OG1 THR A 22 38.295 19.604 12.085 1.00 0.00 O ATOM 345 CG2 THR A 22 37.642 17.549 11.004 1.00 0.00 C ATOM 0 H THR A 22 37.521 19.872 9.635 1.00 0.00 H new ATOM 0 HA THR A 22 35.201 18.876 11.063 1.00 0.00 H new ATOM 0 HB THR A 22 36.812 18.377 12.810 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.002 19.115 12.557 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.428 17.004 11.527 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.795 16.886 10.830 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.024 17.909 10.048 1.00 0.00 H new ATOM 353 N ILE A 23 35.322 20.609 13.129 1.00 0.00 N ATOM 354 CA ILE A 23 34.991 21.764 13.955 1.00 0.00 C ATOM 355 C ILE A 23 36.271 22.475 14.374 1.00 0.00 C ATOM 356 O ILE A 23 36.384 23.694 14.243 1.00 0.00 O ATOM 357 CB ILE A 23 34.187 21.333 15.186 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.107 20.328 14.770 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.519 22.554 15.822 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.356 20.834 13.529 1.00 0.00 C ATOM 0 H ILE A 23 35.202 19.704 13.583 1.00 0.00 H new ATOM 0 HA ILE A 23 34.376 22.452 13.375 1.00 0.00 H new ATOM 0 HB ILE A 23 34.861 20.870 15.907 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.563 19.361 14.558 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.406 20.177 15.591 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.949 22.242 16.697 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.283 23.271 16.123 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.849 23.020 15.099 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.592 20.110 13.245 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.884 21.790 13.754 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.059 20.962 12.705 1.00 0.00 H new ATOM 372 N GLU A 24 37.248 21.706 14.848 1.00 0.00 N ATOM 373 CA GLU A 24 38.527 22.284 15.257 1.00 0.00 C ATOM 374 C GLU A 24 38.991 23.298 14.217 1.00 0.00 C ATOM 375 O GLU A 24 39.703 24.251 14.529 1.00 0.00 O ATOM 376 CB GLU A 24 39.583 21.186 15.400 1.00 0.00 C ATOM 377 CG GLU A 24 39.006 20.015 16.197 1.00 0.00 C ATOM 378 CD GLU A 24 38.501 20.503 17.551 1.00 0.00 C ATOM 379 OE1 GLU A 24 37.359 20.929 17.617 1.00 0.00 O ATOM 380 OE2 GLU A 24 39.264 20.445 18.502 1.00 0.00 O ATOM 0 H GLU A 24 37.182 20.694 14.958 1.00 0.00 H new ATOM 0 HA GLU A 24 38.395 22.780 16.219 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.903 20.845 14.415 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.466 21.581 15.903 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.191 19.553 15.641 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.769 19.250 16.339 1.00 0.00 H new ATOM 387 N ASN A 25 38.545 23.097 12.981 1.00 0.00 N ATOM 388 CA ASN A 25 38.893 24.013 11.903 1.00 0.00 C ATOM 389 C ASN A 25 38.103 25.304 12.064 1.00 0.00 C ATOM 390 O ASN A 25 38.678 26.378 12.238 1.00 0.00 O ATOM 391 CB ASN A 25 38.585 23.390 10.541 1.00 0.00 C ATOM 392 CG ASN A 25 39.225 24.224 9.434 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.465 24.878 8.599 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 40.450 24.284 9.331 1.00 0.00 N flip ATOM 0 H ASN A 25 37.949 22.317 12.704 1.00 0.00 H new ATOM 0 HA ASN A 25 39.962 24.222 11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.963 22.368 10.504 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.507 23.336 10.391 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.042 23.772 9.985 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.873 24.846 8.592 1.00 0.00 H new ATOM 401 N VAL A 26 36.779 25.191 12.000 1.00 0.00 N ATOM 402 CA VAL A 26 35.916 26.361 12.145 1.00 0.00 C ATOM 403 C VAL A 26 36.335 27.186 13.347 1.00 0.00 C ATOM 404 O VAL A 26 36.127 28.400 13.394 1.00 0.00 O ATOM 405 CB VAL A 26 34.471 25.922 12.308 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.575 27.157 12.477 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.058 25.154 11.062 1.00 0.00 C ATOM 0 H VAL A 26 36.284 24.312 11.850 1.00 0.00 H new ATOM 0 HA VAL A 26 36.011 26.973 11.248 1.00 0.00 H new ATOM 0 HB VAL A 26 34.367 25.288 13.188 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.538 26.841 12.594 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.886 27.714 13.361 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.663 27.794 11.597 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.022 24.830 11.161 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.155 25.799 10.188 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.701 24.282 10.942 1.00 0.00 H new ATOM 417 N LYS A 27 36.949 26.516 14.305 1.00 0.00 N ATOM 418 CA LYS A 27 37.423 27.184 15.506 1.00 0.00 C ATOM 419 C LYS A 27 38.658 28.003 15.181 1.00 0.00 C ATOM 420 O LYS A 27 38.739 29.189 15.504 1.00 0.00 O ATOM 421 CB LYS A 27 37.765 26.146 16.580 1.00 0.00 C ATOM 422 CG LYS A 27 36.489 25.421 17.029 1.00 0.00 C ATOM 423 CD LYS A 27 36.713 24.765 18.393 1.00 0.00 C ATOM 424 CE LYS A 27 35.431 24.056 18.835 1.00 0.00 C ATOM 425 NZ LYS A 27 35.579 23.595 20.244 1.00 0.00 N ATOM 0 H LYS A 27 37.131 25.513 14.276 1.00 0.00 H new ATOM 0 HA LYS A 27 36.639 27.842 15.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.484 25.427 16.187 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.236 26.634 17.433 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.661 26.127 17.087 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.212 24.665 16.294 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.534 24.051 18.334 1.00 0.00 H new ATOM 0 HD3 LYS A 27 36.997 25.518 19.128 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.581 24.733 18.750 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.229 23.207 18.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 34.708 23.113 20.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.380 22.936 20.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.752 24.414 20.861 1.00 0.00 H new ATOM 439 N ALA A 28 39.617 27.357 14.538 1.00 0.00 N ATOM 440 CA ALA A 28 40.856 28.016 14.165 1.00 0.00 C ATOM 441 C ALA A 28 40.571 29.292 13.374 1.00 0.00 C ATOM 442 O ALA A 28 41.277 30.288 13.516 1.00 0.00 O ATOM 443 CB ALA A 28 41.697 27.055 13.320 1.00 0.00 C ATOM 0 H ALA A 28 39.560 26.376 14.264 1.00 0.00 H new ATOM 0 HA ALA A 28 41.401 28.290 15.068 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.630 27.542 13.035 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.918 26.159 13.900 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.143 26.779 12.423 1.00 0.00 H new ATOM 449 N LYS A 29 39.523 29.253 12.559 1.00 0.00 N ATOM 450 CA LYS A 29 39.152 30.424 11.771 1.00 0.00 C ATOM 451 C LYS A 29 38.692 31.550 12.697 1.00 0.00 C ATOM 452 O LYS A 29 39.325 32.603 12.770 1.00 0.00 O ATOM 453 CB LYS A 29 38.047 30.066 10.775 1.00 0.00 C ATOM 454 CG LYS A 29 38.665 29.372 9.549 1.00 0.00 C ATOM 455 CD LYS A 29 37.595 28.565 8.822 1.00 0.00 C ATOM 456 CE LYS A 29 38.232 27.797 7.661 1.00 0.00 C ATOM 457 NZ LYS A 29 38.585 28.749 6.571 1.00 0.00 N ATOM 0 H LYS A 29 38.924 28.438 12.427 1.00 0.00 H new ATOM 0 HA LYS A 29 40.023 30.764 11.211 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.316 29.410 11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.515 30.966 10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.094 30.115 8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.479 28.717 9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.117 27.870 9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.816 29.229 8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.124 27.273 8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.541 27.041 7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.049 28.233 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.721 29.205 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.233 29.474 6.940 1.00 0.00 H new ATOM 471 N ILE A 30 37.583 31.322 13.392 1.00 0.00 N ATOM 472 CA ILE A 30 37.033 32.313 14.298 1.00 0.00 C ATOM 473 C ILE A 30 38.103 32.827 15.266 1.00 0.00 C ATOM 474 O ILE A 30 38.147 34.018 15.572 1.00 0.00 O ATOM 475 CB ILE A 30 35.870 31.677 15.071 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.666 31.511 14.138 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.476 32.569 16.246 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.631 30.597 14.799 1.00 0.00 C ATOM 0 H ILE A 30 37.048 30.455 13.342 1.00 0.00 H new ATOM 0 HA ILE A 30 36.674 33.168 13.724 1.00 0.00 H new ATOM 0 HB ILE A 30 36.183 30.703 15.447 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.223 32.483 13.922 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.986 31.087 13.186 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.650 32.111 16.790 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.329 32.688 16.914 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.168 33.546 15.874 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.774 30.478 14.136 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.078 29.622 14.993 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.303 31.039 15.740 1.00 0.00 H new ATOM 490 N GLN A 31 38.956 31.930 15.747 1.00 0.00 N ATOM 491 CA GLN A 31 40.008 32.322 16.682 1.00 0.00 C ATOM 492 C GLN A 31 40.923 33.364 16.049 1.00 0.00 C ATOM 493 O GLN A 31 41.062 34.478 16.551 1.00 0.00 O ATOM 494 CB GLN A 31 40.838 31.097 17.085 1.00 0.00 C ATOM 495 CG GLN A 31 41.825 31.484 18.193 1.00 0.00 C ATOM 496 CD GLN A 31 42.726 30.301 18.530 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.201 30.185 19.660 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.994 29.413 17.612 1.00 0.00 N ATOM 0 H GLN A 31 38.943 30.938 15.510 1.00 0.00 H new ATOM 0 HA GLN A 31 39.537 32.750 17.567 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.182 30.299 17.432 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.379 30.712 16.221 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.430 32.332 17.872 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.280 31.800 19.082 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.599 29.511 16.677 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.598 28.621 17.830 1.00 0.00 H new ATOM 507 N ASP A 32 41.557 32.975 14.958 1.00 0.00 N ATOM 508 CA ASP A 32 42.482 33.864 14.265 1.00 0.00 C ATOM 509 C ASP A 32 41.848 35.224 13.954 1.00 0.00 C ATOM 510 O ASP A 32 42.528 36.249 13.997 1.00 0.00 O ATOM 511 CB ASP A 32 42.964 33.208 12.968 1.00 0.00 C ATOM 512 CG ASP A 32 44.126 34.004 12.381 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.121 34.157 13.072 1.00 0.00 O ATOM 514 OD2 ASP A 32 44.005 34.447 11.252 1.00 0.00 O ATOM 0 H ASP A 32 41.452 32.055 14.531 1.00 0.00 H new ATOM 0 HA ASP A 32 43.329 34.038 14.929 1.00 0.00 H new ATOM 0 HB2 ASP A 32 43.277 32.183 13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.146 33.160 12.249 1.00 0.00 H new ATOM 519 N LYS A 33 40.559 35.233 13.610 1.00 0.00 N ATOM 520 CA LYS A 33 39.880 36.486 13.261 1.00 0.00 C ATOM 521 C LYS A 33 39.438 37.305 14.482 1.00 0.00 C ATOM 522 O LYS A 33 39.573 38.529 14.483 1.00 0.00 O ATOM 523 CB LYS A 33 38.654 36.197 12.401 1.00 0.00 C ATOM 524 CG LYS A 33 39.053 35.392 11.163 1.00 0.00 C ATOM 525 CD LYS A 33 37.788 34.934 10.431 1.00 0.00 C ATOM 526 CE LYS A 33 38.151 34.421 9.036 1.00 0.00 C ATOM 527 NZ LYS A 33 39.158 33.329 9.154 1.00 0.00 N ATOM 0 H LYS A 33 39.970 34.401 13.565 1.00 0.00 H new ATOM 0 HA LYS A 33 40.613 37.080 12.714 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.916 35.643 12.981 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.184 37.133 12.099 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.670 36.001 10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.652 34.529 11.453 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.293 34.147 11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.083 35.762 10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.259 34.054 8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.550 35.234 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.193 32.791 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.094 33.739 9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.891 32.693 9.932 1.00 0.00 H new ATOM 541 N GLU A 34 38.861 36.651 15.498 1.00 0.00 N ATOM 542 CA GLU A 34 38.356 37.372 16.681 1.00 0.00 C ATOM 543 C GLU A 34 39.258 37.219 17.906 1.00 0.00 C ATOM 544 O GLU A 34 38.962 37.777 18.962 1.00 0.00 O ATOM 545 CB GLU A 34 36.956 36.859 17.035 1.00 0.00 C ATOM 546 CG GLU A 34 36.030 36.999 15.826 1.00 0.00 C ATOM 547 CD GLU A 34 34.601 36.643 16.223 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.373 36.415 17.400 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.754 36.603 15.345 1.00 0.00 O ATOM 0 H GLU A 34 38.732 35.640 15.529 1.00 0.00 H new ATOM 0 HA GLU A 34 38.334 38.430 16.418 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.009 35.815 17.345 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.555 37.422 17.878 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.067 38.019 15.445 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.367 36.345 15.021 1.00 0.00 H new ATOM 556 N GLY A 35 40.373 36.515 17.771 1.00 0.00 N ATOM 557 CA GLY A 35 41.298 36.364 18.891 1.00 0.00 C ATOM 558 C GLY A 35 40.625 35.786 20.139 1.00 0.00 C ATOM 559 O GLY A 35 41.078 36.044 21.253 1.00 0.00 O ATOM 0 H GLY A 35 40.659 36.045 16.912 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.120 35.714 18.593 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.731 37.335 19.133 1.00 0.00 H new ATOM 563 N ILE A 36 39.550 35.016 19.960 1.00 0.00 N ATOM 564 CA ILE A 36 38.837 34.420 21.088 1.00 0.00 C ATOM 565 C ILE A 36 39.345 32.992 21.361 1.00 0.00 C ATOM 566 O ILE A 36 39.085 32.091 20.563 1.00 0.00 O ATOM 567 CB ILE A 36 37.355 34.366 20.758 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.887 35.784 20.440 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.588 33.823 21.963 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.422 35.763 20.032 1.00 0.00 C ATOM 0 H ILE A 36 39.156 34.792 19.046 1.00 0.00 H new ATOM 0 HA ILE A 36 39.010 35.027 21.976 1.00 0.00 H new ATOM 0 HB ILE A 36 37.176 33.713 19.903 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.022 36.425 21.311 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.492 36.205 19.637 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.524 33.783 21.729 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.945 32.821 22.200 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.747 34.477 22.820 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.093 36.777 19.806 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.299 35.136 19.149 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.823 35.360 20.849 1.00 0.00 H new ATOM 582 N PRO A 37 40.052 32.751 22.452 1.00 0.00 N ATOM 583 CA PRO A 37 40.564 31.384 22.772 1.00 0.00 C ATOM 584 C PRO A 37 39.449 30.315 22.706 1.00 0.00 C ATOM 585 O PRO A 37 38.418 30.452 23.378 1.00 0.00 O ATOM 586 CB PRO A 37 41.103 31.522 24.203 1.00 0.00 C ATOM 587 CG PRO A 37 41.473 32.960 24.326 1.00 0.00 C ATOM 588 CD PRO A 37 40.451 33.725 23.487 1.00 0.00 C ATOM 0 HA PRO A 37 41.318 31.053 22.058 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.350 31.242 24.939 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.965 30.875 24.366 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.446 33.283 25.367 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.486 33.136 23.964 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.599 34.044 24.087 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.885 34.623 23.047 1.00 0.00 H new ATOM 596 N PRO A 38 39.623 29.266 21.926 1.00 0.00 N ATOM 597 CA PRO A 38 38.606 28.180 21.805 1.00 0.00 C ATOM 598 C PRO A 38 38.024 27.754 23.154 1.00 0.00 C ATOM 599 O PRO A 38 36.875 27.317 23.231 1.00 0.00 O ATOM 600 CB PRO A 38 39.387 27.035 21.161 1.00 0.00 C ATOM 601 CG PRO A 38 40.418 27.712 20.325 1.00 0.00 C ATOM 602 CD PRO A 38 40.792 28.998 21.065 1.00 0.00 C ATOM 0 HA PRO A 38 37.739 28.500 21.227 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.845 26.394 21.914 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.738 26.402 20.556 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.291 27.073 20.190 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.029 27.934 19.331 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.701 28.870 21.654 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.974 29.819 20.372 1.00 0.00 H new ATOM 610 N ASP A 39 38.818 27.879 24.216 1.00 0.00 N ATOM 611 CA ASP A 39 38.359 27.495 25.547 1.00 0.00 C ATOM 612 C ASP A 39 37.329 28.485 26.080 1.00 0.00 C ATOM 613 O ASP A 39 36.413 28.107 26.810 1.00 0.00 O ATOM 614 CB ASP A 39 39.545 27.424 26.511 1.00 0.00 C ATOM 615 CG ASP A 39 39.057 27.081 27.915 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.593 25.968 28.105 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.153 27.936 28.780 1.00 0.00 O ATOM 0 H ASP A 39 39.772 28.239 24.181 1.00 0.00 H new ATOM 0 HA ASP A 39 37.890 26.514 25.470 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.256 26.672 26.170 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.072 28.378 26.523 1.00 0.00 H new ATOM 622 N GLN A 40 37.496 29.753 25.727 1.00 0.00 N ATOM 623 CA GLN A 40 36.583 30.791 26.195 1.00 0.00 C ATOM 624 C GLN A 40 35.287 30.789 25.396 1.00 0.00 C ATOM 625 O GLN A 40 34.288 31.359 25.836 1.00 0.00 O ATOM 626 CB GLN A 40 37.241 32.166 26.076 1.00 0.00 C ATOM 627 CG GLN A 40 38.370 32.275 27.101 1.00 0.00 C ATOM 628 CD GLN A 40 38.978 33.673 27.063 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.421 34.578 26.441 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.096 33.905 27.695 1.00 0.00 N ATOM 0 H GLN A 40 38.248 30.087 25.124 1.00 0.00 H new ATOM 0 HA GLN A 40 36.352 30.580 27.239 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.633 32.308 25.069 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.504 32.951 26.245 1.00 0.00 H new ATOM 0 HG2 GLN A 40 37.987 32.063 28.099 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.137 31.530 26.889 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.556 33.154 28.210 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.510 34.837 27.674 1.00 0.00 H new ATOM 639 N GLN A 41 35.296 30.159 24.216 1.00 0.00 N ATOM 640 CA GLN A 41 34.101 30.107 23.369 1.00 0.00 C ATOM 641 C GLN A 41 33.584 28.677 23.215 1.00 0.00 C ATOM 642 O GLN A 41 34.349 27.713 23.242 1.00 0.00 O ATOM 643 CB GLN A 41 34.426 30.676 21.992 1.00 0.00 C ATOM 644 CG GLN A 41 35.667 29.984 21.428 1.00 0.00 C ATOM 645 CD GLN A 41 35.887 30.411 19.981 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.510 31.517 19.595 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.479 29.594 19.153 1.00 0.00 N ATOM 0 H GLN A 41 36.110 29.682 23.829 1.00 0.00 H new ATOM 0 HA GLN A 41 33.323 30.701 23.849 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.580 30.532 21.320 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.597 31.750 22.063 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.540 30.239 22.028 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.547 28.902 21.483 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.790 28.678 19.476 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.630 29.872 18.183 1.00 0.00 H new ATOM 656 N ARG A 42 32.270 28.569 23.024 1.00 0.00 N ATOM 657 CA ARG A 42 31.601 27.285 22.827 1.00 0.00 C ATOM 658 C ARG A 42 30.661 27.422 21.637 1.00 0.00 C ATOM 659 O ARG A 42 29.963 28.430 21.514 1.00 0.00 O ATOM 660 CB ARG A 42 30.806 26.902 24.082 1.00 0.00 C ATOM 661 CG ARG A 42 31.757 26.645 25.266 1.00 0.00 C ATOM 662 CD ARG A 42 32.264 25.199 25.234 1.00 0.00 C ATOM 663 NE ARG A 42 33.098 24.930 26.401 1.00 0.00 N ATOM 664 CZ ARG A 42 34.375 25.295 26.434 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.099 25.046 27.491 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.908 25.899 25.406 1.00 0.00 N ATOM 0 H ARG A 42 31.639 29.370 23.002 1.00 0.00 H new ATOM 0 HA ARG A 42 32.338 26.503 22.641 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.108 27.700 24.335 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.212 26.010 23.885 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.600 27.335 25.221 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.239 26.836 26.206 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.419 24.510 25.215 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.836 25.027 24.322 1.00 0.00 H new ATOM 0 HE ARG A 42 32.693 24.453 27.206 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.684 24.571 28.293 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.079 25.327 27.515 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.344 26.090 24.578 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.888 26.179 25.431 1.00 0.00 H new ATOM 680 N LEU A 43 30.645 26.430 20.753 1.00 0.00 N ATOM 681 CA LEU A 43 29.780 26.496 19.575 1.00 0.00 C ATOM 682 C LEU A 43 28.430 25.855 19.843 1.00 0.00 C ATOM 683 O LEU A 43 28.336 24.654 20.122 1.00 0.00 O ATOM 684 CB LEU A 43 30.441 25.792 18.397 1.00 0.00 C ATOM 685 CG LEU A 43 31.873 26.296 18.191 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.367 25.805 16.833 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.911 27.827 18.214 1.00 0.00 C ATOM 0 H LEU A 43 31.210 25.584 20.824 1.00 0.00 H new ATOM 0 HA LEU A 43 29.626 27.549 19.339 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.452 24.716 18.571 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.858 25.963 17.492 1.00 0.00 H new ATOM 0 HG LEU A 43 32.508 25.918 18.993 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.386 26.155 16.668 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.349 24.715 16.812 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.719 26.194 16.048 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.936 28.168 18.066 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.280 28.219 17.416 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.545 28.186 19.176 1.00 0.00 H new ATOM 699 N ILE A 44 27.381 26.672 19.765 1.00 0.00 N ATOM 700 CA ILE A 44 26.011 26.205 20.007 1.00 0.00 C ATOM 701 C ILE A 44 25.157 26.277 18.738 1.00 0.00 C ATOM 702 O ILE A 44 25.034 27.338 18.113 1.00 0.00 O ATOM 703 CB ILE A 44 25.353 27.072 21.088 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.278 27.193 22.310 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.021 26.447 21.513 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.692 25.805 22.814 1.00 0.00 C ATOM 0 H ILE A 44 27.451 27.663 19.536 1.00 0.00 H new ATOM 0 HA ILE A 44 26.070 25.166 20.330 1.00 0.00 H new ATOM 0 HB ILE A 44 25.174 28.067 20.679 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.165 27.769 22.046 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.769 27.738 23.105 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.557 27.066 22.281 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.358 26.382 20.650 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.198 25.448 21.911 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.346 25.912 23.679 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.804 25.241 23.099 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.221 25.273 22.023 1.00 0.00 H new ATOM 718 N PHE A 45 24.556 25.142 18.376 1.00 0.00 N ATOM 719 CA PHE A 45 23.690 25.060 17.201 1.00 0.00 C ATOM 720 C PHE A 45 22.497 24.162 17.507 1.00 0.00 C ATOM 721 O PHE A 45 22.659 22.981 17.808 1.00 0.00 O ATOM 722 CB PHE A 45 24.464 24.483 16.016 1.00 0.00 C ATOM 723 CG PHE A 45 23.583 24.456 14.791 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.694 25.457 13.821 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.663 23.417 14.623 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.884 25.418 12.678 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.851 23.377 13.483 1.00 0.00 C ATOM 728 CZ PHE A 45 21.962 24.378 12.510 1.00 0.00 C ATOM 0 H PHE A 45 24.655 24.263 18.884 1.00 0.00 H new ATOM 0 HA PHE A 45 23.342 26.062 16.949 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.352 25.085 15.823 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.807 23.475 16.250 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.404 26.260 13.953 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.578 22.645 15.373 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.971 26.190 11.927 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.140 22.575 13.354 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.336 24.348 11.630 1.00 0.00 H new ATOM 738 N ALA A 46 21.298 24.731 17.442 1.00 0.00 N ATOM 739 CA ALA A 46 20.087 23.968 17.723 1.00 0.00 C ATOM 740 C ALA A 46 20.133 23.362 19.127 1.00 0.00 C ATOM 741 O ALA A 46 19.708 22.227 19.336 1.00 0.00 O ATOM 742 CB ALA A 46 19.925 22.854 16.689 1.00 0.00 C ATOM 0 H ALA A 46 21.139 25.709 17.200 1.00 0.00 H new ATOM 0 HA ALA A 46 19.236 24.647 17.668 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.019 22.287 16.904 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.853 23.290 15.693 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.788 22.189 16.732 1.00 0.00 H new ATOM 748 N GLY A 47 20.637 24.135 20.084 1.00 0.00 N ATOM 749 CA GLY A 47 20.719 23.674 21.470 1.00 0.00 C ATOM 750 C GLY A 47 21.629 22.451 21.619 1.00 0.00 C ATOM 751 O GLY A 47 21.548 21.736 22.617 1.00 0.00 O ATOM 0 H GLY A 47 20.993 25.078 19.929 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.093 24.482 22.099 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.720 23.427 21.829 1.00 0.00 H new ATOM 755 N LYS A 48 22.502 22.219 20.635 1.00 0.00 N ATOM 756 CA LYS A 48 23.431 21.080 20.682 1.00 0.00 C ATOM 757 C LYS A 48 24.871 21.559 20.548 1.00 0.00 C ATOM 758 O LYS A 48 25.204 22.275 19.603 1.00 0.00 O ATOM 759 CB LYS A 48 23.130 20.105 19.550 1.00 0.00 C ATOM 760 CG LYS A 48 21.730 19.512 19.724 1.00 0.00 C ATOM 761 CD LYS A 48 21.534 18.364 18.729 1.00 0.00 C ATOM 762 CE LYS A 48 20.118 17.804 18.869 1.00 0.00 C ATOM 763 NZ LYS A 48 19.930 17.276 20.249 1.00 0.00 N ATOM 0 H LYS A 48 22.587 22.799 19.800 1.00 0.00 H new ATOM 0 HA LYS A 48 23.302 20.580 21.642 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.200 20.617 18.590 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.873 19.307 19.540 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.601 19.149 20.744 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.975 20.281 19.561 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.697 18.719 17.711 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.267 17.579 18.914 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.385 18.584 18.663 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.955 17.011 18.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.132 16.609 20.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.795 16.786 20.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.732 18.064 20.898 1.00 0.00 H new ATOM 777 N GLN A 49 25.735 21.149 21.476 1.00 0.00 N ATOM 778 CA GLN A 49 27.134 21.537 21.410 1.00 0.00 C ATOM 779 C GLN A 49 27.856 20.718 20.353 1.00 0.00 C ATOM 780 O GLN A 49 27.765 19.490 20.338 1.00 0.00 O ATOM 781 CB GLN A 49 27.808 21.337 22.758 1.00 0.00 C ATOM 782 CG GLN A 49 27.214 22.312 23.774 1.00 0.00 C ATOM 783 CD GLN A 49 27.956 22.197 25.102 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.152 22.480 25.173 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.314 21.795 26.165 1.00 0.00 N ATOM 0 H GLN A 49 25.491 20.557 22.270 1.00 0.00 H new ATOM 0 HA GLN A 49 27.184 22.593 21.144 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.668 20.311 23.098 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.882 21.499 22.667 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.284 23.332 23.396 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.155 22.098 23.920 1.00 0.00 H new ATOM 0 HE21 GLN A 49 26.323 21.561 26.104 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.803 21.715 27.056 1.00 0.00 H new ATOM 794 N LEU A 50 28.553 21.397 19.457 1.00 0.00 N ATOM 795 CA LEU A 50 29.257 20.703 18.387 1.00 0.00 C ATOM 796 C LEU A 50 30.424 19.892 18.943 1.00 0.00 C ATOM 797 O LEU A 50 31.147 20.343 19.832 1.00 0.00 O ATOM 798 CB LEU A 50 29.757 21.716 17.357 1.00 0.00 C ATOM 799 CG LEU A 50 28.580 22.213 16.503 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.601 23.014 17.370 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.106 23.108 15.381 1.00 0.00 C ATOM 0 H LEU A 50 28.647 22.413 19.446 1.00 0.00 H new ATOM 0 HA LEU A 50 28.566 20.013 17.904 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.233 22.557 17.862 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.513 21.257 16.719 1.00 0.00 H new ATOM 0 HG LEU A 50 28.063 21.353 16.078 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.771 23.362 16.755 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.219 22.379 18.169 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.116 23.872 17.803 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.271 23.461 14.775 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.628 23.962 15.812 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.794 22.540 14.755 1.00 0.00 H new ATOM 813 N GLU A 51 30.586 18.679 18.412 1.00 0.00 N ATOM 814 CA GLU A 51 31.645 17.781 18.846 1.00 0.00 C ATOM 815 C GLU A 51 33.020 18.309 18.439 1.00 0.00 C ATOM 816 O GLU A 51 33.226 18.738 17.300 1.00 0.00 O ATOM 817 CB GLU A 51 31.414 16.393 18.237 1.00 0.00 C ATOM 818 CG GLU A 51 32.136 15.338 19.072 1.00 0.00 C ATOM 819 CD GLU A 51 32.252 14.039 18.284 1.00 0.00 C ATOM 820 OE1 GLU A 51 33.231 13.886 17.572 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.357 13.217 18.401 1.00 0.00 O ATOM 0 H GLU A 51 29.991 18.299 17.676 1.00 0.00 H new ATOM 0 HA GLU A 51 31.621 17.716 19.934 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.347 16.174 18.201 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.779 16.370 17.210 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.128 15.696 19.347 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.592 15.162 20.000 1.00 0.00 H new ATOM 828 N ASP A 52 33.951 18.280 19.386 1.00 0.00 N ATOM 829 CA ASP A 52 35.301 18.767 19.153 1.00 0.00 C ATOM 830 C ASP A 52 36.011 18.048 17.999 1.00 0.00 C ATOM 831 O ASP A 52 37.222 18.204 17.840 1.00 0.00 O ATOM 832 CB ASP A 52 36.133 18.596 20.428 1.00 0.00 C ATOM 833 CG ASP A 52 37.505 19.237 20.244 1.00 0.00 C ATOM 834 OD1 ASP A 52 37.577 20.454 20.271 1.00 0.00 O ATOM 835 OD2 ASP A 52 38.464 18.501 20.076 1.00 0.00 O ATOM 0 H ASP A 52 33.791 17.921 20.327 1.00 0.00 H new ATOM 0 HA ASP A 52 35.212 19.818 18.877 1.00 0.00 H new ATOM 0 HB2 ASP A 52 35.618 19.054 21.272 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.245 17.537 20.660 1.00 0.00 H new ATOM 840 N GLY A 53 35.290 17.257 17.196 1.00 0.00 N ATOM 841 CA GLY A 53 35.952 16.551 16.093 1.00 0.00 C ATOM 842 C GLY A 53 34.988 16.061 15.008 1.00 0.00 C ATOM 843 O GLY A 53 35.276 15.066 14.339 1.00 0.00 O ATOM 0 H GLY A 53 34.287 17.093 17.282 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.689 17.214 15.639 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.497 15.697 16.495 1.00 0.00 H new ATOM 847 N ARG A 54 33.859 16.748 14.810 1.00 0.00 N ATOM 848 CA ARG A 54 32.897 16.336 13.769 1.00 0.00 C ATOM 849 C ARG A 54 33.010 17.229 12.534 1.00 0.00 C ATOM 850 O ARG A 54 33.641 18.282 12.572 1.00 0.00 O ATOM 851 CB ARG A 54 31.458 16.392 14.319 1.00 0.00 C ATOM 852 CG ARG A 54 31.104 15.069 15.026 1.00 0.00 C ATOM 853 CD ARG A 54 30.597 14.036 14.006 1.00 0.00 C ATOM 854 NE ARG A 54 30.180 12.819 14.692 1.00 0.00 N ATOM 855 CZ ARG A 54 29.801 11.739 14.016 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.439 10.661 14.657 1.00 0.00 N ATOM 857 NH2 ARG A 54 29.788 11.758 12.711 1.00 0.00 N ATOM 0 H ARG A 54 33.587 17.575 15.341 1.00 0.00 H new ATOM 0 HA ARG A 54 33.134 15.312 13.480 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.360 17.223 15.018 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.757 16.576 13.505 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.981 14.679 15.543 1.00 0.00 H new ATOM 0 HG3 ARG A 54 30.341 15.247 15.783 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.761 14.450 13.442 1.00 0.00 H new ATOM 0 HD3 ARG A 54 31.384 13.806 13.287 1.00 0.00 H new ATOM 0 HE ARG A 54 30.179 12.796 15.712 1.00 0.00 H new ATOM 0 HH11 ARG A 54 29.447 10.647 15.677 1.00 0.00 H new ATOM 0 HH12 ARG A 54 29.148 9.832 14.138 1.00 0.00 H new ATOM 0 HH21 ARG A 54 30.069 12.601 12.210 1.00 0.00 H new ATOM 0 HH22 ARG A 54 29.497 10.930 12.192 1.00 0.00 H new ATOM 871 N THR A 55 32.379 16.788 11.444 1.00 0.00 N ATOM 872 CA THR A 55 32.385 17.533 10.184 1.00 0.00 C ATOM 873 C THR A 55 31.070 18.281 10.005 1.00 0.00 C ATOM 874 O THR A 55 30.004 17.807 10.423 1.00 0.00 O ATOM 875 CB THR A 55 32.582 16.566 9.010 1.00 0.00 C ATOM 876 OG1 THR A 55 31.601 15.539 9.077 1.00 0.00 O ATOM 877 CG2 THR A 55 33.980 15.946 9.082 1.00 0.00 C ATOM 0 H THR A 55 31.855 15.914 11.409 1.00 0.00 H new ATOM 0 HA THR A 55 33.204 18.252 10.209 1.00 0.00 H new ATOM 0 HB THR A 55 32.478 17.109 8.071 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.050 15.665 9.878 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.117 15.259 8.247 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.731 16.735 9.031 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.089 15.402 10.020 1.00 0.00 H new ATOM 885 N LEU A 56 31.130 19.439 9.359 1.00 0.00 N ATOM 886 CA LEU A 56 29.921 20.201 9.124 1.00 0.00 C ATOM 887 C LEU A 56 28.930 19.343 8.349 1.00 0.00 C ATOM 888 O LEU A 56 27.733 19.401 8.605 1.00 0.00 O ATOM 889 CB LEU A 56 30.241 21.482 8.355 1.00 0.00 C ATOM 890 CG LEU A 56 30.824 22.537 9.307 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.167 22.049 9.865 1.00 0.00 C ATOM 892 CD2 LEU A 56 31.038 23.841 8.536 1.00 0.00 C ATOM 0 H LEU A 56 31.986 19.860 8.997 1.00 0.00 H new ATOM 0 HA LEU A 56 29.479 20.483 10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.952 21.268 7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.337 21.867 7.882 1.00 0.00 H new ATOM 0 HG LEU A 56 30.133 22.703 10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.576 22.801 10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.018 21.116 10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.863 21.882 9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.452 24.596 9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.730 23.667 7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 56 30.084 24.191 8.141 1.00 0.00 H new ATOM 904 N SER A 57 29.425 18.559 7.384 1.00 0.00 N ATOM 905 CA SER A 57 28.555 17.711 6.572 1.00 0.00 C ATOM 906 C SER A 57 27.532 16.983 7.434 1.00 0.00 C ATOM 907 O SER A 57 26.354 16.887 7.070 1.00 0.00 O ATOM 908 CB SER A 57 29.398 16.689 5.809 1.00 0.00 C ATOM 909 OG SER A 57 28.540 15.729 5.205 1.00 0.00 O ATOM 0 H SER A 57 30.416 18.496 7.150 1.00 0.00 H new ATOM 0 HA SER A 57 28.019 18.350 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.996 17.190 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.094 16.196 6.487 1.00 0.00 H new ATOM 0 HG SER A 57 29.077 15.073 4.714 1.00 0.00 H new ATOM 915 N ASP A 58 27.971 16.494 8.589 1.00 0.00 N ATOM 916 CA ASP A 58 27.059 15.807 9.490 1.00 0.00 C ATOM 917 C ASP A 58 25.979 16.787 9.912 1.00 0.00 C ATOM 918 O ASP A 58 24.810 16.430 10.068 1.00 0.00 O ATOM 919 CB ASP A 58 27.810 15.298 10.727 1.00 0.00 C ATOM 920 CG ASP A 58 28.775 14.182 10.338 1.00 0.00 C ATOM 921 OD1 ASP A 58 28.319 13.198 9.780 1.00 0.00 O ATOM 922 OD2 ASP A 58 29.957 14.327 10.608 1.00 0.00 O ATOM 0 H ASP A 58 28.935 16.559 8.917 1.00 0.00 H new ATOM 0 HA ASP A 58 26.617 14.949 8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.359 16.118 11.190 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.099 14.932 11.467 1.00 0.00 H new ATOM 927 N TYR A 59 26.397 18.038 10.078 1.00 0.00 N ATOM 928 CA TYR A 59 25.486 19.107 10.473 1.00 0.00 C ATOM 929 C TYR A 59 24.786 19.730 9.254 1.00 0.00 C ATOM 930 O TYR A 59 23.878 20.546 9.409 1.00 0.00 O ATOM 931 CB TYR A 59 26.273 20.187 11.218 1.00 0.00 C ATOM 932 CG TYR A 59 26.656 19.683 12.595 1.00 0.00 C ATOM 933 CD1 TYR A 59 28.003 19.457 12.912 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.664 19.444 13.555 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.355 18.994 14.185 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.018 18.979 14.828 1.00 0.00 C ATOM 937 CZ TYR A 59 27.363 18.754 15.143 1.00 0.00 C ATOM 938 OH TYR A 59 27.711 18.297 16.397 1.00 0.00 O ATOM 0 H TYR A 59 27.363 18.337 9.945 1.00 0.00 H new ATOM 0 HA TYR A 59 24.719 18.682 11.120 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.168 20.451 10.655 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.673 21.093 11.306 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.769 19.640 12.173 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.626 19.618 13.313 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.393 18.822 14.428 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.252 18.794 15.567 1.00 0.00 H new ATOM 0 HH TYR A 59 26.903 18.184 16.940 1.00 0.00 H new ATOM 948 N ASN A 60 25.204 19.347 8.043 1.00 0.00 N ATOM 949 CA ASN A 60 24.591 19.890 6.828 1.00 0.00 C ATOM 950 C ASN A 60 23.271 19.189 6.538 1.00 0.00 C ATOM 951 O ASN A 60 22.299 19.821 6.127 1.00 0.00 O ATOM 952 CB ASN A 60 25.530 19.733 5.629 1.00 0.00 C ATOM 953 CG ASN A 60 24.956 20.474 4.423 1.00 0.00 C ATOM 954 OD1 ASN A 60 23.850 20.169 3.976 1.00 0.00 O ATOM 955 ND2 ASN A 60 25.642 21.437 3.869 1.00 0.00 N ATOM 0 H ASN A 60 25.953 18.674 7.879 1.00 0.00 H new ATOM 0 HA ASN A 60 24.404 20.951 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.516 20.127 5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.658 18.677 5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 60 25.262 21.937 3.065 1.00 0.00 H new ATOM 0 HD22 ASN A 60 26.558 21.689 4.240 1.00 0.00 H new ATOM 962 N ILE A 61 23.235 17.882 6.765 1.00 0.00 N ATOM 963 CA ILE A 61 22.008 17.123 6.535 1.00 0.00 C ATOM 964 C ILE A 61 20.916 17.647 7.460 1.00 0.00 C ATOM 965 O ILE A 61 19.812 17.971 7.024 1.00 0.00 O ATOM 966 CB ILE A 61 22.253 15.632 6.793 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.566 15.207 6.125 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.101 14.810 6.215 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.587 15.673 4.666 1.00 0.00 C ATOM 0 H ILE A 61 24.025 17.332 7.102 1.00 0.00 H new ATOM 0 HA ILE A 61 21.693 17.245 5.499 1.00 0.00 H new ATOM 0 HB ILE A 61 22.315 15.459 7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.412 15.633 6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.673 14.123 6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.280 13.751 6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.167 15.109 6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.034 14.983 5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.523 15.367 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 61 22.751 15.225 4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.502 16.759 4.630 1.00 0.00 H new ATOM 981 N GLN A 62 21.250 17.724 8.742 1.00 0.00 N ATOM 982 CA GLN A 62 20.317 18.213 9.748 1.00 0.00 C ATOM 983 C GLN A 62 20.107 19.719 9.572 1.00 0.00 C ATOM 984 O GLN A 62 20.126 20.472 10.546 1.00 0.00 O ATOM 985 CB GLN A 62 20.885 17.928 11.146 1.00 0.00 C ATOM 986 CG GLN A 62 19.765 17.971 12.187 1.00 0.00 C ATOM 987 CD GLN A 62 20.330 17.674 13.572 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.493 16.511 13.941 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.643 18.662 14.365 1.00 0.00 N ATOM 0 H GLN A 62 22.162 17.453 9.110 1.00 0.00 H new ATOM 0 HA GLN A 62 19.359 17.706 9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.367 16.950 11.159 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.650 18.664 11.393 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.290 18.952 12.182 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.995 17.242 11.935 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.507 19.625 14.058 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.023 18.471 15.292 1.00 0.00 H new ATOM 998 N LYS A 63 19.895 20.150 8.324 1.00 0.00 N ATOM 999 CA LYS A 63 19.667 21.567 8.031 1.00 0.00 C ATOM 1000 C LYS A 63 18.201 21.965 8.251 1.00 0.00 C ATOM 1001 O LYS A 63 17.540 22.439 7.326 1.00 0.00 O ATOM 1002 CB LYS A 63 20.090 21.895 6.591 1.00 0.00 C ATOM 1003 CG LYS A 63 19.436 20.911 5.616 1.00 0.00 C ATOM 1004 CD LYS A 63 19.527 21.458 4.186 1.00 0.00 C ATOM 1005 CE LYS A 63 19.018 20.399 3.206 1.00 0.00 C ATOM 1006 NZ LYS A 63 19.906 19.202 3.261 1.00 0.00 N ATOM 0 H LYS A 63 19.877 19.541 7.506 1.00 0.00 H new ATOM 0 HA LYS A 63 20.279 22.144 8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.799 22.915 6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.175 21.842 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.931 19.942 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.393 20.754 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.935 22.369 4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.558 21.722 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.995 20.118 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.998 20.804 2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.836 18.676 2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.890 19.506 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.612 18.588 4.047 1.00 0.00 H new ATOM 1020 N GLU A 64 17.704 21.770 9.469 1.00 0.00 N ATOM 1021 CA GLU A 64 16.312 22.113 9.773 1.00 0.00 C ATOM 1022 C GLU A 64 16.038 23.560 9.384 1.00 0.00 C ATOM 1023 O GLU A 64 14.925 23.911 8.995 1.00 0.00 O ATOM 1024 CB GLU A 64 16.059 21.944 11.280 1.00 0.00 C ATOM 1025 CG GLU A 64 16.182 20.470 11.669 1.00 0.00 C ATOM 1026 CD GLU A 64 15.021 19.675 11.082 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.005 20.282 10.785 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.166 18.473 10.938 1.00 0.00 O ATOM 0 H GLU A 64 18.231 21.383 10.252 1.00 0.00 H new ATOM 0 HA GLU A 64 15.653 21.453 9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.775 22.539 11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.066 22.314 11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.128 20.068 11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.188 20.372 12.755 1.00 0.00 H new HETATM 1035 N SEP A 65 17.069 24.396 9.476 1.00 0.00 N HETATM 1036 CA SEP A 65 16.958 25.811 9.118 1.00 0.00 C HETATM 1037 CB SEP A 65 17.061 26.685 10.364 1.00 0.00 C HETATM 1038 OG SEP A 65 16.076 26.281 11.304 1.00 0.00 O HETATM 1039 C SEP A 65 18.069 26.171 8.140 1.00 0.00 C HETATM 1040 O SEP A 65 18.501 25.336 7.344 1.00 0.00 O HETATM 1041 P SEP A 65 15.772 27.172 12.517 1.00 0.00 P HETATM 1042 O1P SEP A 65 14.527 26.520 13.210 1.00 0.00 O HETATM 1043 O2P SEP A 65 15.477 28.592 11.922 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.068 27.126 13.397 1.00 0.00 O HETATM 0 HB3 SEP A 65 18.055 26.598 10.802 1.00 0.00 H new HETATM 0 HB2 SEP A 65 16.920 27.733 10.100 1.00 0.00 H new HETATM 0 HA SEP A 65 15.988 25.986 8.652 1.00 0.00 H new ATOM 1049 N THR A 66 18.555 27.412 8.212 1.00 0.00 N ATOM 1050 CA THR A 66 19.644 27.855 7.342 1.00 0.00 C ATOM 1051 C THR A 66 20.959 27.749 8.100 1.00 0.00 C ATOM 1052 O THR A 66 20.968 27.389 9.279 1.00 0.00 O ATOM 1053 CB THR A 66 19.402 29.309 6.899 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.731 30.013 7.934 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.544 29.314 5.635 1.00 0.00 C ATOM 0 H THR A 66 18.214 28.123 8.859 1.00 0.00 H new ATOM 0 HA THR A 66 19.685 27.224 6.454 1.00 0.00 H new ATOM 0 HB THR A 66 20.356 29.794 6.693 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.578 30.939 7.654 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.370 30.342 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.060 28.772 4.843 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.589 28.831 5.842 1.00 0.00 H new ATOM 1063 N LEU A 67 22.076 28.040 7.433 1.00 0.00 N ATOM 1064 CA LEU A 67 23.381 27.937 8.070 1.00 0.00 C ATOM 1065 C LEU A 67 23.669 29.159 8.931 1.00 0.00 C ATOM 1066 O LEU A 67 24.110 30.197 8.438 1.00 0.00 O ATOM 1067 CB LEU A 67 24.463 27.820 6.984 1.00 0.00 C ATOM 1068 CG LEU A 67 24.075 26.734 5.966 1.00 0.00 C ATOM 1069 CD1 LEU A 67 25.100 26.692 4.825 1.00 0.00 C ATOM 1070 CD2 LEU A 67 24.034 25.366 6.661 1.00 0.00 C ATOM 0 H LEU A 67 22.100 28.346 6.460 1.00 0.00 H new ATOM 0 HA LEU A 67 23.385 27.055 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.586 28.777 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.422 27.576 7.440 1.00 0.00 H new ATOM 0 HG LEU A 67 23.092 26.968 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.817 25.920 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.126 27.659 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.086 26.467 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.759 24.598 5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 67 25.016 25.139 7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.298 25.388 7.464 1.00 0.00 H new ATOM 1082 N HIS A 68 23.435 29.001 10.226 1.00 0.00 N ATOM 1083 CA HIS A 68 23.674 30.063 11.194 1.00 0.00 C ATOM 1084 C HIS A 68 24.186 29.453 12.487 1.00 0.00 C ATOM 1085 O HIS A 68 23.577 28.538 13.038 1.00 0.00 O ATOM 1086 CB HIS A 68 22.381 30.833 11.466 1.00 0.00 C ATOM 1087 CG HIS A 68 21.303 29.867 11.873 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.268 29.289 13.132 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.216 29.367 11.201 1.00 0.00 C ATOM 1090 CE1 HIS A 68 20.193 28.482 13.178 1.00 0.00 C ATOM 1091 NE2 HIS A 68 19.517 28.492 12.027 1.00 0.00 N ATOM 0 H HIS A 68 23.076 28.138 10.634 1.00 0.00 H new ATOM 0 HA HIS A 68 24.415 30.754 10.792 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.542 31.569 12.254 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.076 31.381 10.574 1.00 0.00 H new ATOM 0 HD1 HIS A 68 21.936 29.447 13.887 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.944 29.615 10.186 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.911 27.897 14.041 1.00 0.00 H new ATOM 1100 N LEU A 69 25.321 29.956 12.955 1.00 0.00 N ATOM 1101 CA LEU A 69 25.939 29.455 14.177 1.00 0.00 C ATOM 1102 C LEU A 69 25.901 30.521 15.262 1.00 0.00 C ATOM 1103 O LEU A 69 26.163 31.695 14.997 1.00 0.00 O ATOM 1104 CB LEU A 69 27.390 29.064 13.866 1.00 0.00 C ATOM 1105 CG LEU A 69 28.137 28.665 15.144 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.393 27.528 15.854 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.547 28.195 14.769 1.00 0.00 C ATOM 0 H LEU A 69 25.835 30.714 12.505 1.00 0.00 H new ATOM 0 HA LEU A 69 25.391 28.585 14.538 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.403 28.235 13.159 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.901 29.899 13.387 1.00 0.00 H new ATOM 0 HG LEU A 69 28.194 29.523 15.814 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.931 27.251 16.761 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.388 27.858 16.115 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.330 26.665 15.192 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.087 27.909 15.671 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.479 27.338 14.100 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.079 29.004 14.269 1.00 0.00 H new ATOM 1119 N VAL A 70 25.599 30.104 16.491 1.00 0.00 N ATOM 1120 CA VAL A 70 25.563 31.027 17.617 1.00 0.00 C ATOM 1121 C VAL A 70 26.823 30.856 18.450 1.00 0.00 C ATOM 1122 O VAL A 70 27.135 29.755 18.905 1.00 0.00 O ATOM 1123 CB VAL A 70 24.319 30.766 18.474 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.422 31.534 19.795 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.081 31.237 17.713 1.00 0.00 C ATOM 0 H VAL A 70 25.377 29.137 16.728 1.00 0.00 H new ATOM 0 HA VAL A 70 25.516 32.050 17.244 1.00 0.00 H new ATOM 0 HB VAL A 70 24.245 29.699 18.686 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.534 31.343 20.397 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.307 31.205 20.339 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.498 32.602 19.590 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.192 31.055 18.316 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.166 32.304 17.505 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.001 30.689 16.774 1.00 0.00 H new ATOM 1135 N LEU A 71 27.550 31.954 18.643 1.00 0.00 N ATOM 1136 CA LEU A 71 28.787 31.920 19.420 1.00 0.00 C ATOM 1137 C LEU A 71 28.530 32.303 20.874 1.00 0.00 C ATOM 1138 O LEU A 71 28.066 33.406 21.168 1.00 0.00 O ATOM 1139 CB LEU A 71 29.816 32.875 18.807 1.00 0.00 C ATOM 1140 CG LEU A 71 31.195 32.643 19.450 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.735 31.244 19.085 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.177 33.716 18.954 1.00 0.00 C ATOM 0 H LEU A 71 27.306 32.873 18.275 1.00 0.00 H new ATOM 0 HA LEU A 71 29.176 30.902 19.396 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.876 32.716 17.730 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.503 33.908 18.960 1.00 0.00 H new ATOM 0 HG LEU A 71 31.092 32.707 20.533 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.711 31.098 19.549 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.044 30.482 19.446 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.832 31.162 18.002 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.154 33.553 19.409 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.266 33.654 17.869 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.808 34.703 19.232 1.00 0.00 H new ATOM 1154 N ARG A 72 28.856 31.382 21.775 1.00 0.00 N ATOM 1155 CA ARG A 72 28.684 31.607 23.211 1.00 0.00 C ATOM 1156 C ARG A 72 30.029 31.987 23.827 1.00 0.00 C ATOM 1157 O ARG A 72 31.057 31.409 23.477 1.00 0.00 O ATOM 1158 CB ARG A 72 28.149 30.322 23.869 1.00 0.00 C ATOM 1159 CG ARG A 72 27.345 30.659 25.133 1.00 0.00 C ATOM 1160 CD ARG A 72 26.987 29.370 25.880 1.00 0.00 C ATOM 1161 NE ARG A 72 28.167 28.815 26.532 1.00 0.00 N ATOM 1162 CZ ARG A 72 28.079 27.746 27.317 1.00 0.00 C ATOM 1163 NH1 ARG A 72 29.149 27.267 27.889 1.00 0.00 N ATOM 1164 NH2 ARG A 72 26.921 27.178 27.518 1.00 0.00 N ATOM 0 H ARG A 72 29.242 30.468 21.538 1.00 0.00 H new ATOM 0 HA ARG A 72 27.972 32.416 23.376 1.00 0.00 H new ATOM 0 HB2 ARG A 72 27.519 29.781 23.164 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.980 29.664 24.124 1.00 0.00 H new ATOM 0 HG2 ARG A 72 27.926 31.316 25.780 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.437 31.199 24.864 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.216 29.575 26.623 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.573 28.642 25.183 1.00 0.00 H new ATOM 0 HE ARG A 72 29.075 29.254 26.383 1.00 0.00 H new ATOM 0 HH11 ARG A 72 30.053 27.713 27.734 1.00 0.00 H new ATOM 0 HH12 ARG A 72 29.081 26.447 28.491 1.00 0.00 H new ATOM 0 HH21 ARG A 72 26.084 27.555 27.073 1.00 0.00 H new ATOM 0 HH22 ARG A 72 26.853 26.358 28.120 1.00 0.00 H new ATOM 1178 N LEU A 73 30.017 32.953 24.744 1.00 0.00 N ATOM 1179 CA LEU A 73 31.252 33.398 25.405 1.00 0.00 C ATOM 1180 C LEU A 73 31.161 33.167 26.910 1.00 0.00 C ATOM 1181 O LEU A 73 30.100 33.338 27.511 1.00 0.00 O ATOM 1182 CB LEU A 73 31.493 34.887 25.123 1.00 0.00 C ATOM 1183 CG LEU A 73 31.422 35.153 23.610 1.00 0.00 C ATOM 1184 CD1 LEU A 73 31.624 36.648 23.339 1.00 0.00 C ATOM 1185 CD2 LEU A 73 32.520 34.356 22.889 1.00 0.00 C ATOM 0 H LEU A 73 29.175 33.442 25.047 1.00 0.00 H new ATOM 0 HA LEU A 73 32.086 32.819 25.009 1.00 0.00 H new ATOM 0 HB2 LEU A 73 30.747 35.489 25.642 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.468 35.185 25.508 1.00 0.00 H new ATOM 0 HG LEU A 73 30.445 34.842 23.240 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.573 36.833 22.266 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.843 37.218 23.843 1.00 0.00 H new ATOM 0 HD13 LEU A 73 32.599 36.957 23.715 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.465 34.548 21.817 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.497 34.662 23.263 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.378 33.291 23.074 1.00 0.00 H new ATOM 1197 N ARG A 74 32.279 32.770 27.513 1.00 0.00 N ATOM 1198 CA ARG A 74 32.314 32.512 28.950 1.00 0.00 C ATOM 1199 C ARG A 74 32.315 33.823 29.728 1.00 0.00 C ATOM 1200 O ARG A 74 31.622 33.959 30.737 1.00 0.00 O ATOM 1201 CB ARG A 74 33.566 31.702 29.308 1.00 0.00 C ATOM 1202 CG ARG A 74 33.563 31.384 30.807 1.00 0.00 C ATOM 1203 CD ARG A 74 34.749 30.477 31.140 1.00 0.00 C ATOM 1204 NE ARG A 74 34.818 30.245 32.578 1.00 0.00 N ATOM 1205 CZ ARG A 74 35.265 31.185 33.405 1.00 0.00 C ATOM 1206 NH1 ARG A 74 35.310 30.957 34.690 1.00 0.00 N ATOM 1207 NH2 ARG A 74 35.661 32.336 32.933 1.00 0.00 N ATOM 0 H ARG A 74 33.167 32.621 27.033 1.00 0.00 H new ATOM 0 HA ARG A 74 31.425 31.942 29.219 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.591 30.778 28.730 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.462 32.265 29.047 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.624 32.306 31.385 1.00 0.00 H new ATOM 0 HG3 ARG A 74 32.629 30.895 31.084 1.00 0.00 H new ATOM 0 HD2 ARG A 74 34.648 29.527 30.616 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.675 30.935 30.793 1.00 0.00 H new ATOM 0 HE ARG A 74 34.518 29.346 32.956 1.00 0.00 H new ATOM 0 HH11 ARG A 74 35.002 30.057 35.059 1.00 0.00 H new ATOM 0 HH12 ARG A 74 35.653 31.678 35.324 1.00 0.00 H new ATOM 0 HH21 ARG A 74 35.627 32.514 31.929 1.00 0.00 H new ATOM 0 HH22 ARG A 74 36.004 33.057 33.568 1.00 0.00 H new ATOM 1221 N GLY A 75 33.099 34.786 29.253 1.00 0.00 N ATOM 1222 CA GLY A 75 33.183 36.086 29.911 1.00 0.00 C ATOM 1223 C GLY A 75 34.503 36.778 29.588 1.00 0.00 C ATOM 1224 O GLY A 75 35.554 36.138 29.538 1.00 0.00 O ATOM 0 H GLY A 75 33.681 34.692 28.421 1.00 0.00 H new ATOM 0 HA2 GLY A 75 32.351 36.714 29.591 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.090 35.958 30.989 1.00 0.00 H new ATOM 1228 N GLY A 76 34.440 38.088 29.372 1.00 0.00 N ATOM 1229 CA GLY A 76 35.637 38.857 29.056 1.00 0.00 C ATOM 1230 C GLY A 76 35.290 40.318 28.788 1.00 0.00 C ATOM 1231 O GLY A 76 35.888 40.894 27.893 1.00 0.00 O ATOM 1232 OXT GLY A 76 34.432 40.839 29.480 1.00 0.00 O ATOM 0 H GLY A 76 33.580 38.635 29.410 1.00 0.00 H new ATOM 0 HA2 GLY A 76 36.344 38.793 29.883 1.00 0.00 H new ATOM 0 HA3 GLY A 76 36.129 38.430 28.182 1.00 0.00 H new TER 1236 GLY A 76