USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 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 22 THR OG1 : rot 180:sc= 0.291 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.094 K(o=0.2,f=-1.8!) USER MOD Set 2.1: A 7 THR OG1 : rot 125:sc= 0.354 USER MOD Set 2.2: A 9 THR OG1 : rot -170:sc= 0.447 USER MOD Single : A 1 MET CE :methyl -150:sc= 0 (180deg=-0.519) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.17 (180deg=0.23) USER MOD Single : A 2 GLN : amide:sc=-0.000168 K(o=-0.00017,f=-0.78) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.796 USER MOD Single : A 20 SER OG : rot -35:sc= 1.07 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0.302 (180deg=0.287) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0305 (180deg=-0.467) USER MOD Single : A 31 GLN : amide:sc= -3.06! C(o=-3.1!,f=-5.7!) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc=-0.00038 (180deg=-0.331) USER MOD Single : A 40 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.18) USER MOD Single : A 41 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0246 (180deg=-0.413) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 57 SER OG : rot 33:sc= 0.195 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 60 ASN : amide:sc= -0.0982 X(o=-0.098,f=-0.45) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.134) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.333 31.221 2.375 1.00 0.00 N ATOM 2 CA MET A 1 31.356 32.566 3.016 1.00 0.00 C ATOM 3 C MET A 1 32.246 32.519 4.252 1.00 0.00 C ATOM 4 O MET A 1 32.594 31.442 4.737 1.00 0.00 O ATOM 5 CB MET A 1 29.931 32.968 3.412 1.00 0.00 C ATOM 6 CG MET A 1 29.361 31.954 4.409 1.00 0.00 C ATOM 7 SD MET A 1 27.631 32.370 4.769 1.00 0.00 S ATOM 8 CE MET A 1 27.533 31.611 6.411 1.00 0.00 C ATOM 0 H1 MET A 1 30.472 31.125 1.800 1.00 0.00 H new ATOM 0 H2 MET A 1 32.169 31.112 1.766 1.00 0.00 H new ATOM 0 H3 MET A 1 31.342 30.486 3.110 1.00 0.00 H new ATOM 0 HA MET A 1 31.752 33.301 2.315 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.935 33.964 3.855 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.298 33.015 2.526 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.426 30.947 3.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.947 31.962 5.328 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.513 31.273 6.595 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.212 30.760 6.459 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.815 32.343 7.168 1.00 0.00 H new ATOM 20 N GLN A 2 32.615 33.695 4.762 1.00 0.00 N ATOM 21 CA GLN A 2 33.470 33.790 5.942 1.00 0.00 C ATOM 22 C GLN A 2 32.723 34.467 7.087 1.00 0.00 C ATOM 23 O GLN A 2 31.774 35.222 6.868 1.00 0.00 O ATOM 24 CB GLN A 2 34.721 34.600 5.604 1.00 0.00 C ATOM 25 CG GLN A 2 35.601 33.812 4.630 1.00 0.00 C ATOM 26 CD GLN A 2 36.756 34.685 4.149 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.570 35.873 3.886 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.947 34.164 4.021 1.00 0.00 N ATOM 0 H GLN A 2 32.334 34.595 4.374 1.00 0.00 H new ATOM 0 HA GLN A 2 33.754 32.784 6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 2 34.438 35.555 5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.278 34.822 6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.989 32.918 5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.007 33.478 3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.099 33.179 4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.725 34.742 3.703 1.00 0.00 H new ATOM 37 N ILE A 3 33.176 34.209 8.309 1.00 0.00 N ATOM 38 CA ILE A 3 32.571 34.811 9.497 1.00 0.00 C ATOM 39 C ILE A 3 33.583 34.883 10.622 1.00 0.00 C ATOM 40 O ILE A 3 34.667 34.311 10.533 1.00 0.00 O ATOM 41 CB ILE A 3 31.326 34.034 9.964 1.00 0.00 C ATOM 42 CG1 ILE A 3 31.658 32.533 10.098 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.175 34.250 8.967 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.376 31.695 10.070 1.00 0.00 C ATOM 0 H ILE A 3 33.960 33.587 8.505 1.00 0.00 H new ATOM 0 HA ILE A 3 32.254 35.818 9.226 1.00 0.00 H new ATOM 0 HB ILE A 3 31.015 34.404 10.941 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.317 32.227 9.286 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.195 32.355 11.030 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.296 33.699 9.301 1.00 0.00 H new ATOM 0 HG22 ILE A 3 29.937 35.312 8.910 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.475 33.892 7.982 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.629 30.639 10.166 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.731 31.990 10.897 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.855 31.859 9.127 1.00 0.00 H new ATOM 56 N PHE A 4 33.220 35.596 11.679 1.00 0.00 N ATOM 57 CA PHE A 4 34.103 35.762 12.834 1.00 0.00 C ATOM 58 C PHE A 4 33.559 35.020 14.043 1.00 0.00 C ATOM 59 O PHE A 4 32.352 35.017 14.291 1.00 0.00 O ATOM 60 CB PHE A 4 34.214 37.251 13.176 1.00 0.00 C ATOM 61 CG PHE A 4 34.797 38.006 12.005 1.00 0.00 C ATOM 62 CD1 PHE A 4 33.961 38.451 10.974 1.00 0.00 C ATOM 63 CD2 PHE A 4 36.171 38.272 11.956 1.00 0.00 C ATOM 64 CE1 PHE A 4 34.499 39.160 9.892 1.00 0.00 C ATOM 65 CE2 PHE A 4 36.709 38.980 10.874 1.00 0.00 C ATOM 66 CZ PHE A 4 35.872 39.425 9.843 1.00 0.00 C ATOM 0 H PHE A 4 32.321 36.070 11.764 1.00 0.00 H new ATOM 0 HA PHE A 4 35.082 35.354 12.581 1.00 0.00 H new ATOM 0 HB2 PHE A 4 33.231 37.650 13.424 1.00 0.00 H new ATOM 0 HB3 PHE A 4 34.843 37.385 14.056 1.00 0.00 H new ATOM 0 HD1 PHE A 4 32.901 38.248 11.013 1.00 0.00 H new ATOM 0 HD2 PHE A 4 36.816 37.931 12.753 1.00 0.00 H new ATOM 0 HE1 PHE A 4 33.854 39.502 9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.769 39.183 10.835 1.00 0.00 H new ATOM 0 HZ PHE A 4 36.287 39.973 9.010 1.00 0.00 H new ATOM 76 N VAL A 5 34.459 34.405 14.810 1.00 0.00 N ATOM 77 CA VAL A 5 34.074 33.675 16.014 1.00 0.00 C ATOM 78 C VAL A 5 34.714 34.333 17.223 1.00 0.00 C ATOM 79 O VAL A 5 35.913 34.617 17.237 1.00 0.00 O ATOM 80 CB VAL A 5 34.511 32.210 15.912 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.416 31.534 17.287 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.588 31.480 14.932 1.00 0.00 C ATOM 0 H VAL A 5 35.461 34.399 14.617 1.00 0.00 H new ATOM 0 HA VAL A 5 32.989 33.700 16.120 1.00 0.00 H new ATOM 0 HB VAL A 5 35.542 32.168 15.562 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.729 30.493 17.203 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.065 32.052 17.993 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.387 31.576 17.643 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.893 30.436 14.854 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.561 31.532 15.292 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.653 31.951 13.951 1.00 0.00 H new ATOM 92 N LYS A 6 33.892 34.590 18.223 1.00 0.00 N ATOM 93 CA LYS A 6 34.346 35.242 19.450 1.00 0.00 C ATOM 94 C LYS A 6 34.281 34.274 20.629 1.00 0.00 C ATOM 95 O LYS A 6 33.268 33.606 20.835 1.00 0.00 O ATOM 96 CB LYS A 6 33.445 36.440 19.735 1.00 0.00 C ATOM 97 CG LYS A 6 33.757 37.572 18.755 1.00 0.00 C ATOM 98 CD LYS A 6 32.992 38.830 19.182 1.00 0.00 C ATOM 99 CE LYS A 6 33.809 39.608 20.218 1.00 0.00 C ATOM 100 NZ LYS A 6 33.081 40.851 20.591 1.00 0.00 N ATOM 0 H LYS A 6 32.899 34.358 18.215 1.00 0.00 H new ATOM 0 HA LYS A 6 35.379 35.565 19.319 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.399 36.148 19.646 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.594 36.783 20.759 1.00 0.00 H new ATOM 0 HG2 LYS A 6 34.829 37.771 18.739 1.00 0.00 H new ATOM 0 HG3 LYS A 6 33.471 37.283 17.744 1.00 0.00 H new ATOM 0 HD2 LYS A 6 32.795 39.459 18.314 1.00 0.00 H new ATOM 0 HD3 LYS A 6 32.025 38.554 19.601 1.00 0.00 H new ATOM 0 HE2 LYS A 6 33.976 38.992 21.102 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.790 39.856 19.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 33.635 41.380 21.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 32.943 41.440 19.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 32.155 40.603 20.995 1.00 0.00 H new ATOM 114 N THR A 7 35.364 34.204 21.409 1.00 0.00 N ATOM 115 CA THR A 7 35.410 33.315 22.575 1.00 0.00 C ATOM 116 C THR A 7 35.363 34.128 23.864 1.00 0.00 C ATOM 117 O THR A 7 35.278 35.356 23.839 1.00 0.00 O ATOM 118 CB THR A 7 36.688 32.470 22.551 1.00 0.00 C ATOM 119 OG1 THR A 7 37.810 33.300 22.815 1.00 0.00 O ATOM 120 CG2 THR A 7 36.848 31.813 21.179 1.00 0.00 C ATOM 0 H THR A 7 36.214 34.747 21.257 1.00 0.00 H new ATOM 0 HA THR A 7 34.543 32.655 22.536 1.00 0.00 H new ATOM 0 HB THR A 7 36.622 31.695 23.314 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.312 32.939 23.575 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.758 31.213 21.167 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.989 31.173 20.980 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.911 32.584 20.411 1.00 0.00 H new ATOM 128 N LEU A 8 35.439 33.444 24.997 1.00 0.00 N ATOM 129 CA LEU A 8 35.412 34.129 26.283 1.00 0.00 C ATOM 130 C LEU A 8 36.707 34.915 26.510 1.00 0.00 C ATOM 131 O LEU A 8 36.702 35.951 27.178 1.00 0.00 O ATOM 132 CB LEU A 8 35.212 33.110 27.421 1.00 0.00 C ATOM 133 CG LEU A 8 34.801 33.836 28.713 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.282 34.038 28.736 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.222 33.001 29.934 1.00 0.00 C ATOM 0 H LEU A 8 35.519 32.429 25.054 1.00 0.00 H new ATOM 0 HA LEU A 8 34.578 34.831 26.278 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.446 32.387 27.142 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.133 32.551 27.586 1.00 0.00 H new ATOM 0 HG LEU A 8 35.296 34.807 28.747 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.997 34.553 29.654 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.981 34.637 27.876 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.785 33.069 28.695 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.929 33.519 30.847 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.732 32.028 29.896 1.00 0.00 H new ATOM 0 HD23 LEU A 8 36.303 32.864 29.926 1.00 0.00 H new ATOM 147 N THR A 9 37.815 34.423 25.962 1.00 0.00 N ATOM 148 CA THR A 9 39.096 35.102 26.132 1.00 0.00 C ATOM 149 C THR A 9 39.171 36.348 25.253 1.00 0.00 C ATOM 150 O THR A 9 40.222 36.982 25.154 1.00 0.00 O ATOM 151 CB THR A 9 40.251 34.159 25.779 1.00 0.00 C ATOM 152 OG1 THR A 9 39.987 33.530 24.533 1.00 0.00 O ATOM 153 CG2 THR A 9 40.398 33.096 26.868 1.00 0.00 C ATOM 0 H THR A 9 37.853 33.570 25.405 1.00 0.00 H new ATOM 0 HA THR A 9 39.181 35.401 27.177 1.00 0.00 H new ATOM 0 HB THR A 9 41.176 34.732 25.707 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.640 32.815 24.382 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.220 32.427 26.614 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.605 33.579 27.823 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.474 32.523 26.944 1.00 0.00 H new ATOM 161 N GLY A 10 38.049 36.712 24.632 1.00 0.00 N ATOM 162 CA GLY A 10 38.013 37.897 23.785 1.00 0.00 C ATOM 163 C GLY A 10 38.842 37.695 22.523 1.00 0.00 C ATOM 164 O GLY A 10 39.308 38.657 21.914 1.00 0.00 O ATOM 0 H GLY A 10 37.165 36.208 24.700 1.00 0.00 H new ATOM 0 HA2 GLY A 10 36.982 38.123 23.514 1.00 0.00 H new ATOM 0 HA3 GLY A 10 38.392 38.756 24.339 1.00 0.00 H new ATOM 168 N LYS A 11 39.008 36.438 22.125 1.00 0.00 N ATOM 169 CA LYS A 11 39.768 36.121 20.921 1.00 0.00 C ATOM 170 C LYS A 11 38.841 36.129 19.714 1.00 0.00 C ATOM 171 O LYS A 11 37.763 35.530 19.753 1.00 0.00 O ATOM 172 CB LYS A 11 40.419 34.738 21.050 1.00 0.00 C ATOM 173 CG LYS A 11 41.615 34.805 22.008 1.00 0.00 C ATOM 174 CD LYS A 11 42.315 33.443 22.044 1.00 0.00 C ATOM 175 CE LYS A 11 43.531 33.510 22.974 1.00 0.00 C ATOM 176 NZ LYS A 11 44.220 32.187 22.985 1.00 0.00 N ATOM 0 H LYS A 11 38.629 35.627 22.615 1.00 0.00 H new ATOM 0 HA LYS A 11 40.548 36.871 20.792 1.00 0.00 H new ATOM 0 HB2 LYS A 11 39.689 34.017 21.417 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.747 34.389 20.071 1.00 0.00 H new ATOM 0 HG2 LYS A 11 42.313 35.576 21.683 1.00 0.00 H new ATOM 0 HG3 LYS A 11 41.279 35.080 23.008 1.00 0.00 H new ATOM 0 HD2 LYS A 11 41.622 32.677 22.391 1.00 0.00 H new ATOM 0 HD3 LYS A 11 42.629 33.158 21.040 1.00 0.00 H new ATOM 0 HE2 LYS A 11 44.217 34.287 22.638 1.00 0.00 H new ATOM 0 HE3 LYS A 11 43.217 33.777 23.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 45.046 32.231 23.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 43.563 31.456 23.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 44.533 31.950 22.022 1.00 0.00 H new ATOM 190 N THR A 12 39.266 36.791 18.639 1.00 0.00 N ATOM 191 CA THR A 12 38.469 36.852 17.410 1.00 0.00 C ATOM 192 C THR A 12 39.231 36.176 16.283 1.00 0.00 C ATOM 193 O THR A 12 40.369 36.533 15.978 1.00 0.00 O ATOM 194 CB THR A 12 38.180 38.302 17.027 1.00 0.00 C ATOM 195 OG1 THR A 12 37.529 38.953 18.109 1.00 0.00 O ATOM 196 CG2 THR A 12 37.273 38.327 15.792 1.00 0.00 C ATOM 0 H THR A 12 40.154 37.291 18.592 1.00 0.00 H new ATOM 0 HA THR A 12 37.522 36.340 17.581 1.00 0.00 H new ATOM 0 HB THR A 12 39.114 38.817 16.803 1.00 0.00 H new ATOM 0 HG1 THR A 12 37.344 39.884 17.867 1.00 0.00 H new ATOM 0 HG21 THR A 12 37.064 39.360 15.515 1.00 0.00 H new ATOM 0 HG22 THR A 12 37.772 37.823 14.964 1.00 0.00 H new ATOM 0 HG23 THR A 12 36.337 37.815 16.017 1.00 0.00 H new ATOM 204 N ILE A 13 38.591 35.195 15.668 1.00 0.00 N ATOM 205 CA ILE A 13 39.202 34.454 14.567 1.00 0.00 C ATOM 206 C ILE A 13 38.211 34.280 13.433 1.00 0.00 C ATOM 207 O ILE A 13 37.014 34.107 13.661 1.00 0.00 O ATOM 208 CB ILE A 13 39.678 33.084 15.058 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.437 32.379 13.932 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.477 32.237 15.470 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.110 31.120 14.479 1.00 0.00 C ATOM 0 H ILE A 13 37.648 34.890 15.910 1.00 0.00 H new ATOM 0 HA ILE A 13 40.059 35.019 14.200 1.00 0.00 H new ATOM 0 HB ILE A 13 40.335 33.216 15.917 1.00 0.00 H new ATOM 0 HG12 ILE A 13 39.752 32.117 13.126 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.185 33.049 13.509 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.821 31.263 15.819 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.936 32.739 16.272 1.00 0.00 H new ATOM 0 HG23 ILE A 13 37.815 32.103 14.614 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.650 30.618 13.676 1.00 0.00 H new ATOM 0 HD12 ILE A 13 41.808 31.395 15.270 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.352 30.448 14.881 1.00 0.00 H new ATOM 223 N THR A 14 38.719 34.334 12.211 1.00 0.00 N ATOM 224 CA THR A 14 37.866 34.185 11.034 1.00 0.00 C ATOM 225 C THR A 14 37.886 32.744 10.543 1.00 0.00 C ATOM 226 O THR A 14 38.940 32.113 10.460 1.00 0.00 O ATOM 227 CB THR A 14 38.328 35.128 9.925 1.00 0.00 C ATOM 228 OG1 THR A 14 38.538 36.423 10.474 1.00 0.00 O ATOM 229 CG2 THR A 14 37.249 35.206 8.838 1.00 0.00 C ATOM 0 H THR A 14 39.708 34.478 12.006 1.00 0.00 H new ATOM 0 HA THR A 14 36.844 34.443 11.310 1.00 0.00 H new ATOM 0 HB THR A 14 39.255 34.756 9.489 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.678 36.885 10.561 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.578 35.879 8.046 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.079 34.213 8.423 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.322 35.582 9.272 1.00 0.00 H new ATOM 237 N LEU A 15 36.699 32.234 10.228 1.00 0.00 N ATOM 238 CA LEU A 15 36.535 30.859 9.752 1.00 0.00 C ATOM 239 C LEU A 15 35.918 30.857 8.351 1.00 0.00 C ATOM 240 O LEU A 15 35.020 31.646 8.056 1.00 0.00 O ATOM 241 CB LEU A 15 35.608 30.108 10.742 1.00 0.00 C ATOM 242 CG LEU A 15 36.377 29.043 11.541 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.456 29.706 12.411 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.389 28.290 12.437 1.00 0.00 C ATOM 0 H LEU A 15 35.826 32.757 10.294 1.00 0.00 H new ATOM 0 HA LEU A 15 37.505 30.364 9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.154 30.822 11.429 1.00 0.00 H new ATOM 0 HB3 LEU A 15 34.795 29.634 10.192 1.00 0.00 H new ATOM 0 HG LEU A 15 36.861 28.352 10.851 1.00 0.00 H new ATOM 0 HD11 LEU A 15 37.993 28.940 12.971 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.156 30.247 11.774 1.00 0.00 H new ATOM 0 HD13 LEU A 15 36.986 30.402 13.106 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.922 27.531 13.009 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.911 28.991 13.121 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.630 27.811 11.819 1.00 0.00 H new ATOM 256 N GLU A 16 36.379 29.933 7.510 1.00 0.00 N ATOM 257 CA GLU A 16 35.839 29.794 6.153 1.00 0.00 C ATOM 258 C GLU A 16 34.888 28.605 6.128 1.00 0.00 C ATOM 259 O GLU A 16 35.283 27.482 6.433 1.00 0.00 O ATOM 260 CB GLU A 16 36.968 29.579 5.134 1.00 0.00 C ATOM 261 CG GLU A 16 38.053 28.688 5.738 1.00 0.00 C ATOM 262 CD GLU A 16 39.150 28.438 4.711 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.651 29.404 4.160 1.00 0.00 O ATOM 264 OE2 GLU A 16 39.475 27.282 4.492 1.00 0.00 O ATOM 0 H GLU A 16 37.121 29.272 7.740 1.00 0.00 H new ATOM 0 HA GLU A 16 35.310 30.708 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.570 29.119 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.394 30.539 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.474 29.163 6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.621 27.740 6.059 1.00 0.00 H new ATOM 271 N VAL A 17 33.629 28.859 5.781 1.00 0.00 N ATOM 272 CA VAL A 17 32.633 27.788 5.748 1.00 0.00 C ATOM 273 C VAL A 17 31.610 28.007 4.641 1.00 0.00 C ATOM 274 O VAL A 17 31.484 29.102 4.093 1.00 0.00 O ATOM 275 CB VAL A 17 31.928 27.682 7.120 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.920 28.005 8.242 1.00 0.00 C ATOM 277 CG2 VAL A 17 30.756 28.663 7.203 1.00 0.00 C ATOM 0 H VAL A 17 33.277 29.781 5.522 1.00 0.00 H new ATOM 0 HA VAL A 17 33.151 26.853 5.536 1.00 0.00 H new ATOM 0 HB VAL A 17 31.554 26.664 7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.417 27.928 9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 17 33.750 27.299 8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.300 29.018 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.274 28.572 8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.124 29.681 7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.035 28.435 6.418 1.00 0.00 H new ATOM 287 N GLU A 18 30.858 26.949 4.342 1.00 0.00 N ATOM 288 CA GLU A 18 29.817 27.003 3.324 1.00 0.00 C ATOM 289 C GLU A 18 28.462 27.190 4.012 1.00 0.00 C ATOM 290 O GLU A 18 28.264 26.708 5.128 1.00 0.00 O ATOM 291 CB GLU A 18 29.812 25.697 2.521 1.00 0.00 C ATOM 292 CG GLU A 18 31.233 25.374 2.061 1.00 0.00 C ATOM 293 CD GLU A 18 31.787 26.524 1.226 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.049 27.040 0.405 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.941 26.869 1.422 1.00 0.00 O ATOM 0 H GLU A 18 30.953 26.040 4.795 1.00 0.00 H new ATOM 0 HA GLU A 18 30.006 27.836 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.423 24.883 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.152 25.791 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.873 25.201 2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.234 24.455 1.475 1.00 0.00 H new ATOM 302 N PRO A 19 27.536 27.874 3.393 1.00 0.00 N ATOM 303 CA PRO A 19 26.191 28.113 3.997 1.00 0.00 C ATOM 304 C PRO A 19 25.437 26.805 4.209 1.00 0.00 C ATOM 305 O PRO A 19 24.410 26.771 4.889 1.00 0.00 O ATOM 306 CB PRO A 19 25.486 29.019 2.975 1.00 0.00 C ATOM 307 CG PRO A 19 26.198 28.769 1.686 1.00 0.00 C ATOM 308 CD PRO A 19 27.648 28.487 2.060 1.00 0.00 C ATOM 0 HA PRO A 19 26.247 28.568 4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.427 28.775 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 19 25.551 30.068 3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 19 25.760 27.924 1.155 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.126 29.633 1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.125 27.815 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.243 29.400 2.085 1.00 0.00 H new ATOM 316 N SER A 20 25.942 25.729 3.604 1.00 0.00 N ATOM 317 CA SER A 20 25.308 24.416 3.711 1.00 0.00 C ATOM 318 C SER A 20 26.082 23.505 4.662 1.00 0.00 C ATOM 319 O SER A 20 25.748 22.328 4.805 1.00 0.00 O ATOM 320 CB SER A 20 25.252 23.766 2.328 1.00 0.00 C ATOM 321 OG SER A 20 24.606 22.504 2.428 1.00 0.00 O ATOM 0 H SER A 20 26.788 25.742 3.035 1.00 0.00 H new ATOM 0 HA SER A 20 24.302 24.553 4.106 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.713 24.409 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.259 23.641 1.931 1.00 0.00 H new ATOM 0 HG SER A 20 24.840 22.083 3.282 1.00 0.00 H new ATOM 327 N ASP A 21 27.107 24.042 5.318 1.00 0.00 N ATOM 328 CA ASP A 21 27.898 23.254 6.248 1.00 0.00 C ATOM 329 C ASP A 21 27.044 22.834 7.438 1.00 0.00 C ATOM 330 O ASP A 21 26.152 23.571 7.864 1.00 0.00 O ATOM 331 CB ASP A 21 29.100 24.085 6.721 1.00 0.00 C ATOM 332 CG ASP A 21 30.215 24.066 5.673 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.094 23.324 4.715 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.176 24.793 5.852 1.00 0.00 O ATOM 0 H ASP A 21 27.405 25.013 5.222 1.00 0.00 H new ATOM 0 HA ASP A 21 28.257 22.354 5.748 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.787 25.112 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.474 23.688 7.665 1.00 0.00 H new ATOM 339 N THR A 22 27.318 21.644 7.973 1.00 0.00 N ATOM 340 CA THR A 22 26.565 21.139 9.117 1.00 0.00 C ATOM 341 C THR A 22 27.213 21.612 10.408 1.00 0.00 C ATOM 342 O THR A 22 28.428 21.784 10.470 1.00 0.00 O ATOM 343 CB THR A 22 26.527 19.610 9.095 1.00 0.00 C ATOM 344 OG1 THR A 22 27.854 19.106 9.030 1.00 0.00 O ATOM 345 CG2 THR A 22 25.734 19.127 7.879 1.00 0.00 C ATOM 0 H THR A 22 28.049 21.018 7.635 1.00 0.00 H new ATOM 0 HA THR A 22 25.545 21.520 9.060 1.00 0.00 H new ATOM 0 HB THR A 22 26.043 19.248 10.002 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.832 18.126 9.017 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.711 18.037 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.715 19.511 7.933 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.210 19.488 6.967 1.00 0.00 H new ATOM 353 N ILE A 23 26.401 21.818 11.435 1.00 0.00 N ATOM 354 CA ILE A 23 26.933 22.268 12.711 1.00 0.00 C ATOM 355 C ILE A 23 28.071 21.358 13.147 1.00 0.00 C ATOM 356 O ILE A 23 28.935 21.753 13.929 1.00 0.00 O ATOM 357 CB ILE A 23 25.829 22.268 13.771 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.564 22.934 13.213 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.301 23.035 15.006 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.916 24.263 12.535 1.00 0.00 C ATOM 0 H ILE A 23 25.390 21.684 11.411 1.00 0.00 H new ATOM 0 HA ILE A 23 27.312 23.284 12.597 1.00 0.00 H new ATOM 0 HB ILE A 23 25.602 21.237 14.044 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.081 22.269 12.497 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.850 23.107 14.019 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.513 23.033 15.759 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.192 22.557 15.413 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.535 24.063 14.729 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.009 24.724 12.144 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.378 24.931 13.262 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.612 24.081 11.716 1.00 0.00 H new ATOM 372 N GLU A 24 28.079 20.144 12.613 1.00 0.00 N ATOM 373 CA GLU A 24 29.126 19.184 12.936 1.00 0.00 C ATOM 374 C GLU A 24 30.409 19.537 12.184 1.00 0.00 C ATOM 375 O GLU A 24 31.467 19.714 12.788 1.00 0.00 O ATOM 376 CB GLU A 24 28.665 17.773 12.568 1.00 0.00 C ATOM 377 CG GLU A 24 29.685 16.752 13.075 1.00 0.00 C ATOM 378 CD GLU A 24 29.175 15.336 12.827 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.024 15.199 12.449 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.946 14.409 13.019 1.00 0.00 O ATOM 0 H GLU A 24 27.376 19.802 11.958 1.00 0.00 H new ATOM 0 HA GLU A 24 29.329 19.221 14.006 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.687 17.573 13.006 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.554 17.686 11.487 1.00 0.00 H new ATOM 0 HG2 GLU A 24 30.639 16.897 12.569 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.863 16.902 14.140 1.00 0.00 H new ATOM 387 N ASN A 25 30.305 19.638 10.863 1.00 0.00 N ATOM 388 CA ASN A 25 31.453 19.974 10.036 1.00 0.00 C ATOM 389 C ASN A 25 32.079 21.289 10.499 1.00 0.00 C ATOM 390 O ASN A 25 33.299 21.438 10.512 1.00 0.00 O ATOM 391 CB ASN A 25 31.005 20.105 8.580 1.00 0.00 C ATOM 392 CG ASN A 25 30.760 18.726 7.976 1.00 0.00 C ATOM 393 OD1 ASN A 25 31.168 17.715 8.546 1.00 0.00 O ATOM 394 ND2 ASN A 25 30.113 18.626 6.847 1.00 0.00 N ATOM 0 H ASN A 25 29.438 19.492 10.345 1.00 0.00 H new ATOM 0 HA ASN A 25 32.197 19.183 10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.094 20.701 8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.766 20.632 8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 25 29.945 17.708 6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 25 29.776 19.466 6.376 1.00 0.00 H new ATOM 401 N VAL A 26 31.235 22.247 10.871 1.00 0.00 N ATOM 402 CA VAL A 26 31.731 23.542 11.324 1.00 0.00 C ATOM 403 C VAL A 26 32.486 23.388 12.642 1.00 0.00 C ATOM 404 O VAL A 26 33.525 24.013 12.850 1.00 0.00 O ATOM 405 CB VAL A 26 30.573 24.533 11.482 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.120 25.871 11.974 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.884 24.733 10.129 1.00 0.00 C ATOM 0 H VAL A 26 30.219 22.154 10.868 1.00 0.00 H new ATOM 0 HA VAL A 26 32.419 23.933 10.574 1.00 0.00 H new ATOM 0 HB VAL A 26 29.854 24.143 12.202 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.300 26.580 12.088 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.614 25.731 12.935 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.837 26.259 11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.060 25.438 10.241 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.602 25.126 9.409 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.498 23.778 9.772 1.00 0.00 H new ATOM 417 N LYS A 27 31.968 22.545 13.528 1.00 0.00 N ATOM 418 CA LYS A 27 32.626 22.314 14.808 1.00 0.00 C ATOM 419 C LYS A 27 33.995 21.710 14.552 1.00 0.00 C ATOM 420 O LYS A 27 34.970 22.024 15.234 1.00 0.00 O ATOM 421 CB LYS A 27 31.782 21.372 15.678 1.00 0.00 C ATOM 422 CG LYS A 27 30.669 22.165 16.368 1.00 0.00 C ATOM 423 CD LYS A 27 29.665 21.198 17.007 1.00 0.00 C ATOM 424 CE LYS A 27 28.740 21.968 17.952 1.00 0.00 C ATOM 425 NZ LYS A 27 27.692 21.049 18.482 1.00 0.00 N ATOM 0 H LYS A 27 31.107 22.017 13.387 1.00 0.00 H new ATOM 0 HA LYS A 27 32.736 23.259 15.340 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.351 20.582 15.063 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.412 20.888 16.424 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.094 22.819 17.130 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.163 22.804 15.645 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.079 20.702 16.233 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.194 20.418 17.555 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.315 22.393 18.774 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.275 22.801 17.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.995 21.595 19.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.215 20.573 17.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 28.134 20.337 19.098 1.00 0.00 H new ATOM 439 N ALA A 28 34.051 20.850 13.550 1.00 0.00 N ATOM 440 CA ALA A 28 35.291 20.200 13.172 1.00 0.00 C ATOM 441 C ALA A 28 36.321 21.245 12.743 1.00 0.00 C ATOM 442 O ALA A 28 37.506 21.126 13.052 1.00 0.00 O ATOM 443 CB ALA A 28 35.017 19.234 12.021 1.00 0.00 C ATOM 0 H ALA A 28 33.247 20.585 12.981 1.00 0.00 H new ATOM 0 HA ALA A 28 35.689 19.650 14.025 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.945 18.741 11.731 1.00 0.00 H new ATOM 0 HB2 ALA A 28 34.292 18.485 12.340 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.618 19.786 11.170 1.00 0.00 H new ATOM 449 N LYS A 29 35.850 22.282 12.054 1.00 0.00 N ATOM 450 CA LYS A 29 36.737 23.359 11.611 1.00 0.00 C ATOM 451 C LYS A 29 37.317 24.079 12.827 1.00 0.00 C ATOM 452 O LYS A 29 38.493 24.450 12.850 1.00 0.00 O ATOM 453 CB LYS A 29 35.974 24.372 10.745 1.00 0.00 C ATOM 454 CG LYS A 29 35.566 23.734 9.414 1.00 0.00 C ATOM 455 CD LYS A 29 34.862 24.778 8.540 1.00 0.00 C ATOM 456 CE LYS A 29 34.330 24.108 7.272 1.00 0.00 C ATOM 457 NZ LYS A 29 35.464 23.500 6.520 1.00 0.00 N ATOM 0 H LYS A 29 34.871 22.401 11.792 1.00 0.00 H new ATOM 0 HA LYS A 29 37.539 22.920 11.018 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.088 24.720 11.276 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.599 25.246 10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.446 23.347 8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.903 22.887 9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.042 25.237 9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.556 25.576 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.599 23.342 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 29 33.817 24.840 6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.162 23.287 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.262 24.167 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.761 22.621 6.990 1.00 0.00 H new ATOM 471 N ILE A 30 36.476 24.252 13.842 1.00 0.00 N ATOM 472 CA ILE A 30 36.894 24.912 15.061 1.00 0.00 C ATOM 473 C ILE A 30 37.896 24.046 15.818 1.00 0.00 C ATOM 474 O ILE A 30 38.951 24.521 16.228 1.00 0.00 O ATOM 475 CB ILE A 30 35.663 25.191 15.929 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.799 26.259 15.244 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.103 25.701 17.302 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.459 26.394 15.973 1.00 0.00 C ATOM 0 H ILE A 30 35.504 23.943 13.839 1.00 0.00 H new ATOM 0 HA ILE A 30 37.382 25.855 14.813 1.00 0.00 H new ATOM 0 HB ILE A 30 35.090 24.272 16.054 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.321 27.216 15.244 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.630 25.988 14.202 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.224 25.898 17.916 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.724 24.948 17.788 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.675 26.621 17.182 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.852 27.154 15.481 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.934 25.439 15.950 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.636 26.686 17.008 1.00 0.00 H new ATOM 490 N GLN A 31 37.559 22.775 15.999 1.00 0.00 N ATOM 491 CA GLN A 31 38.443 21.861 16.713 1.00 0.00 C ATOM 492 C GLN A 31 39.799 21.773 16.022 1.00 0.00 C ATOM 493 O GLN A 31 40.844 21.808 16.671 1.00 0.00 O ATOM 494 CB GLN A 31 37.822 20.462 16.779 1.00 0.00 C ATOM 495 CG GLN A 31 38.710 19.549 17.631 1.00 0.00 C ATOM 496 CD GLN A 31 39.889 19.042 16.805 1.00 0.00 C ATOM 497 OE1 GLN A 31 39.794 18.939 15.582 1.00 0.00 O ATOM 498 NE2 GLN A 31 41.002 18.724 17.406 1.00 0.00 N ATOM 0 H GLN A 31 36.690 22.357 15.666 1.00 0.00 H new ATOM 0 HA GLN A 31 38.580 22.247 17.723 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.821 20.517 17.207 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.717 20.051 15.775 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.074 20.093 18.502 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.127 18.706 18.002 1.00 0.00 H new ATOM 0 HE21 GLN A 31 41.077 18.811 18.420 1.00 0.00 H new ATOM 0 HE22 GLN A 31 41.797 18.389 16.862 1.00 0.00 H new ATOM 507 N ASP A 32 39.770 21.633 14.706 1.00 0.00 N ATOM 508 CA ASP A 32 40.998 21.516 13.931 1.00 0.00 C ATOM 509 C ASP A 32 41.926 22.712 14.161 1.00 0.00 C ATOM 510 O ASP A 32 43.141 22.544 14.267 1.00 0.00 O ATOM 511 CB ASP A 32 40.665 21.410 12.441 1.00 0.00 C ATOM 512 CG ASP A 32 41.914 21.033 11.652 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.359 19.904 11.786 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.409 21.878 10.925 1.00 0.00 O ATOM 0 H ASP A 32 38.914 21.598 14.153 1.00 0.00 H new ATOM 0 HA ASP A 32 41.515 20.615 14.262 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.888 20.662 12.286 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.270 22.360 12.080 1.00 0.00 H new ATOM 519 N LYS A 33 41.363 23.921 14.213 1.00 0.00 N ATOM 520 CA LYS A 33 42.183 25.122 14.402 1.00 0.00 C ATOM 521 C LYS A 33 42.489 25.417 15.878 1.00 0.00 C ATOM 522 O LYS A 33 43.584 25.879 16.199 1.00 0.00 O ATOM 523 CB LYS A 33 41.473 26.332 13.786 1.00 0.00 C ATOM 524 CG LYS A 33 41.219 26.074 12.298 1.00 0.00 C ATOM 525 CD LYS A 33 40.462 27.261 11.695 1.00 0.00 C ATOM 526 CE LYS A 33 39.940 26.886 10.305 1.00 0.00 C ATOM 527 NZ LYS A 33 41.084 26.486 9.436 1.00 0.00 N ATOM 0 H LYS A 33 40.361 24.095 14.129 1.00 0.00 H new ATOM 0 HA LYS A 33 43.135 24.934 13.905 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.529 26.514 14.300 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.082 27.227 13.912 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.165 25.930 11.776 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.642 25.158 12.170 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.632 27.542 12.343 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.120 28.127 11.626 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.224 26.067 10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 33 39.412 27.731 9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 40.778 26.478 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 41.863 27.165 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 41.410 25.536 9.706 1.00 0.00 H new ATOM 541 N GLU A 34 41.522 25.187 16.772 1.00 0.00 N ATOM 542 CA GLU A 34 41.721 25.485 18.203 1.00 0.00 C ATOM 543 C GLU A 34 42.049 24.237 19.021 1.00 0.00 C ATOM 544 O GLU A 34 42.399 24.340 20.197 1.00 0.00 O ATOM 545 CB GLU A 34 40.467 26.154 18.771 1.00 0.00 C ATOM 546 CG GLU A 34 40.005 27.268 17.828 1.00 0.00 C ATOM 547 CD GLU A 34 38.817 28.009 18.434 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.449 27.685 19.550 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.292 28.888 17.771 1.00 0.00 O ATOM 0 H GLU A 34 40.606 24.802 16.541 1.00 0.00 H new ATOM 0 HA GLU A 34 42.576 26.157 18.276 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.674 25.417 18.895 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.678 26.564 19.759 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.824 27.964 17.647 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.726 26.846 16.863 1.00 0.00 H new ATOM 556 N GLY A 35 41.974 23.067 18.401 1.00 0.00 N ATOM 557 CA GLY A 35 42.309 21.824 19.094 1.00 0.00 C ATOM 558 C GLY A 35 41.397 21.546 20.289 1.00 0.00 C ATOM 559 O GLY A 35 41.692 20.670 21.104 1.00 0.00 O ATOM 0 H GLY A 35 41.687 22.949 17.429 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.243 20.993 18.392 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.343 21.871 19.436 1.00 0.00 H new ATOM 563 N ILE A 36 40.292 22.281 20.394 1.00 0.00 N ATOM 564 CA ILE A 36 39.353 22.086 21.492 1.00 0.00 C ATOM 565 C ILE A 36 38.257 21.080 21.093 1.00 0.00 C ATOM 566 O ILE A 36 37.458 21.366 20.200 1.00 0.00 O ATOM 567 CB ILE A 36 38.705 23.426 21.840 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.792 24.498 21.973 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.956 23.301 23.165 1.00 0.00 C ATOM 570 CD1 ILE A 36 40.882 24.022 22.940 1.00 0.00 C ATOM 0 H ILE A 36 40.027 23.013 19.735 1.00 0.00 H new ATOM 0 HA ILE A 36 39.893 21.694 22.354 1.00 0.00 H new ATOM 0 HB ILE A 36 38.007 23.707 21.051 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.228 24.709 20.996 1.00 0.00 H new ATOM 0 HG13 ILE A 36 39.354 25.428 22.335 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.494 24.256 23.413 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.184 22.537 23.076 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.655 23.020 23.953 1.00 0.00 H new ATOM 0 HD11 ILE A 36 41.650 24.790 23.029 1.00 0.00 H new ATOM 0 HD12 ILE A 36 40.442 23.834 23.920 1.00 0.00 H new ATOM 0 HD13 ILE A 36 41.329 23.103 22.560 1.00 0.00 H new ATOM 582 N PRO A 37 38.188 19.914 21.714 1.00 0.00 N ATOM 583 CA PRO A 37 37.149 18.895 21.371 1.00 0.00 C ATOM 584 C PRO A 37 35.753 19.520 21.221 1.00 0.00 C ATOM 585 O PRO A 37 35.407 20.457 21.942 1.00 0.00 O ATOM 586 CB PRO A 37 37.198 17.918 22.553 1.00 0.00 C ATOM 587 CG PRO A 37 38.601 18.003 23.062 1.00 0.00 C ATOM 588 CD PRO A 37 39.076 19.432 22.794 1.00 0.00 C ATOM 0 HA PRO A 37 37.342 18.415 20.412 1.00 0.00 H new ATOM 0 HB2 PRO A 37 36.480 18.195 23.325 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.952 16.904 22.238 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.642 17.774 24.127 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.241 17.280 22.556 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.992 20.053 23.686 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.122 19.453 22.488 1.00 0.00 H new ATOM 596 N PRO A 38 34.948 19.026 20.306 1.00 0.00 N ATOM 597 CA PRO A 38 33.573 19.565 20.069 1.00 0.00 C ATOM 598 C PRO A 38 32.613 19.229 21.208 1.00 0.00 C ATOM 599 O PRO A 38 31.579 19.877 21.370 1.00 0.00 O ATOM 600 CB PRO A 38 33.150 18.890 18.761 1.00 0.00 C ATOM 601 CG PRO A 38 33.889 17.601 18.765 1.00 0.00 C ATOM 602 CD PRO A 38 35.241 17.900 19.403 1.00 0.00 C ATOM 0 HA PRO A 38 33.558 20.654 20.015 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.072 18.732 18.724 1.00 0.00 H new ATOM 0 HB3 PRO A 38 33.413 19.498 17.895 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.349 16.842 19.331 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.011 17.217 17.752 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.628 17.039 19.947 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.988 18.168 18.656 1.00 0.00 H new ATOM 610 N ASP A 39 32.961 18.216 21.993 1.00 0.00 N ATOM 611 CA ASP A 39 32.119 17.813 23.109 1.00 0.00 C ATOM 612 C ASP A 39 32.250 18.795 24.267 1.00 0.00 C ATOM 613 O ASP A 39 31.442 18.777 25.196 1.00 0.00 O ATOM 614 CB ASP A 39 32.509 16.410 23.577 1.00 0.00 C ATOM 615 CG ASP A 39 32.076 15.375 22.546 1.00 0.00 C ATOM 616 OD1 ASP A 39 31.318 15.733 21.659 1.00 0.00 O ATOM 617 OD2 ASP A 39 32.508 14.239 22.656 1.00 0.00 O ATOM 0 H ASP A 39 33.811 17.665 21.878 1.00 0.00 H new ATOM 0 HA ASP A 39 31.082 17.808 22.772 1.00 0.00 H new ATOM 0 HB2 ASP A 39 33.587 16.355 23.728 1.00 0.00 H new ATOM 0 HB3 ASP A 39 32.041 16.195 24.538 1.00 0.00 H new ATOM 622 N GLN A 40 33.277 19.648 24.219 1.00 0.00 N ATOM 623 CA GLN A 40 33.505 20.627 25.282 1.00 0.00 C ATOM 624 C GLN A 40 33.065 22.018 24.840 1.00 0.00 C ATOM 625 O GLN A 40 33.082 22.960 25.636 1.00 0.00 O ATOM 626 CB GLN A 40 34.997 20.672 25.628 1.00 0.00 C ATOM 627 CG GLN A 40 35.431 19.326 26.213 1.00 0.00 C ATOM 628 CD GLN A 40 34.755 19.101 27.560 1.00 0.00 C ATOM 629 OE1 GLN A 40 34.014 18.133 27.729 1.00 0.00 O ATOM 630 NE2 GLN A 40 34.968 19.942 28.536 1.00 0.00 N ATOM 0 H GLN A 40 33.959 19.680 23.461 1.00 0.00 H new ATOM 0 HA GLN A 40 32.922 20.327 26.153 1.00 0.00 H new ATOM 0 HB2 GLN A 40 35.581 20.897 24.735 1.00 0.00 H new ATOM 0 HB3 GLN A 40 35.190 21.470 26.345 1.00 0.00 H new ATOM 0 HG2 GLN A 40 35.170 18.521 25.527 1.00 0.00 H new ATOM 0 HG3 GLN A 40 36.514 19.304 26.332 1.00 0.00 H new ATOM 0 HE21 GLN A 40 35.583 20.744 28.394 1.00 0.00 H new ATOM 0 HE22 GLN A 40 34.520 19.797 29.441 1.00 0.00 H new ATOM 639 N GLN A 41 32.696 22.155 23.562 1.00 0.00 N ATOM 640 CA GLN A 41 32.289 23.455 23.019 1.00 0.00 C ATOM 641 C GLN A 41 30.835 23.455 22.568 1.00 0.00 C ATOM 642 O GLN A 41 30.318 22.453 22.072 1.00 0.00 O ATOM 643 CB GLN A 41 33.173 23.807 21.824 1.00 0.00 C ATOM 644 CG GLN A 41 34.631 23.914 22.273 1.00 0.00 C ATOM 645 CD GLN A 41 35.507 24.276 21.080 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.560 23.534 20.099 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.200 25.382 21.102 1.00 0.00 N ATOM 0 H GLN A 41 32.671 21.389 22.889 1.00 0.00 H new ATOM 0 HA GLN A 41 32.400 24.192 23.815 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.076 23.045 21.051 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.848 24.750 21.385 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.728 24.671 23.051 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.960 22.969 22.705 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.155 25.996 21.915 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.786 25.632 20.306 1.00 0.00 H new ATOM 656 N ARG A 42 30.196 24.609 22.730 1.00 0.00 N ATOM 657 CA ARG A 42 28.804 24.805 22.330 1.00 0.00 C ATOM 658 C ARG A 42 28.710 26.102 21.532 1.00 0.00 C ATOM 659 O ARG A 42 29.349 27.093 21.885 1.00 0.00 O ATOM 660 CB ARG A 42 27.899 24.887 23.567 1.00 0.00 C ATOM 661 CG ARG A 42 27.853 23.517 24.286 1.00 0.00 C ATOM 662 CD ARG A 42 26.796 22.617 23.637 1.00 0.00 C ATOM 663 NE ARG A 42 26.640 21.381 24.403 1.00 0.00 N ATOM 664 CZ ARG A 42 25.904 20.372 23.943 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.772 19.282 24.650 1.00 0.00 N ATOM 666 NH2 ARG A 42 25.313 20.471 22.784 1.00 0.00 N ATOM 0 H ARG A 42 30.627 25.436 23.142 1.00 0.00 H new ATOM 0 HA ARG A 42 28.474 23.963 21.721 1.00 0.00 H new ATOM 0 HB2 ARG A 42 28.271 25.652 24.249 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.893 25.185 23.272 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.831 23.038 24.235 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.622 23.659 25.342 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.843 23.143 23.585 1.00 0.00 H new ATOM 0 HD3 ARG A 42 27.087 22.384 22.613 1.00 0.00 H new ATOM 0 HE ARG A 42 27.104 21.291 25.307 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.233 19.203 25.556 1.00 0.00 H new ATOM 0 HH12 ARG A 42 25.208 18.510 24.296 1.00 0.00 H new ATOM 0 HH21 ARG A 42 25.415 21.322 22.230 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.749 19.698 22.431 1.00 0.00 H new ATOM 680 N LEU A 43 27.928 26.102 20.449 1.00 0.00 N ATOM 681 CA LEU A 43 27.783 27.299 19.612 1.00 0.00 C ATOM 682 C LEU A 43 26.356 27.847 19.695 1.00 0.00 C ATOM 683 O LEU A 43 25.387 27.104 19.532 1.00 0.00 O ATOM 684 CB LEU A 43 28.110 26.952 18.155 1.00 0.00 C ATOM 685 CG LEU A 43 29.417 26.149 18.089 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.700 25.762 16.634 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.578 26.997 18.623 1.00 0.00 C ATOM 0 H LEU A 43 27.390 25.296 20.132 1.00 0.00 H new ATOM 0 HA LEU A 43 28.473 28.060 19.975 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.296 26.374 17.718 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.204 27.865 17.567 1.00 0.00 H new ATOM 0 HG LEU A 43 29.318 25.251 18.698 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.627 25.192 16.583 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.879 25.155 16.253 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.795 26.664 16.030 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.502 26.421 18.573 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.679 27.898 18.018 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.379 27.275 19.658 1.00 0.00 H new ATOM 699 N ILE A 44 26.235 29.155 19.960 1.00 0.00 N ATOM 700 CA ILE A 44 24.921 29.803 20.074 1.00 0.00 C ATOM 701 C ILE A 44 24.816 31.014 19.143 1.00 0.00 C ATOM 702 O ILE A 44 25.767 31.781 18.976 1.00 0.00 O ATOM 703 CB ILE A 44 24.686 30.243 21.520 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.058 29.084 22.460 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.211 30.614 21.709 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.574 29.379 23.883 1.00 0.00 C ATOM 0 H ILE A 44 27.027 29.783 20.099 1.00 0.00 H new ATOM 0 HA ILE A 44 24.160 29.081 19.780 1.00 0.00 H new ATOM 0 HB ILE A 44 25.303 31.112 21.749 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.610 28.157 22.101 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.138 28.938 22.459 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.044 30.927 22.739 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.952 31.430 21.035 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.587 29.748 21.487 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.844 28.551 24.538 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.042 30.295 24.244 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.491 29.502 23.881 1.00 0.00 H new ATOM 718 N PHE A 45 23.632 31.177 18.557 1.00 0.00 N ATOM 719 CA PHE A 45 23.345 32.288 17.647 1.00 0.00 C ATOM 720 C PHE A 45 21.910 32.752 17.871 1.00 0.00 C ATOM 721 O PHE A 45 21.011 31.928 18.013 1.00 0.00 O ATOM 722 CB PHE A 45 23.496 31.822 16.191 1.00 0.00 C ATOM 723 CG PHE A 45 23.389 33.006 15.251 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.345 34.029 15.299 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.329 33.085 14.336 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.252 35.118 14.422 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.237 34.173 13.462 1.00 0.00 C ATOM 728 CZ PHE A 45 23.193 35.194 13.510 1.00 0.00 C ATOM 0 H PHE A 45 22.844 30.545 18.698 1.00 0.00 H new ATOM 0 HA PHE A 45 24.042 33.104 17.840 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.458 31.328 16.057 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.725 31.089 15.954 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.154 33.978 16.012 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.583 32.305 14.306 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.998 35.899 14.450 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.427 34.225 12.749 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.114 36.040 12.844 1.00 0.00 H new ATOM 738 N ALA A 46 21.690 34.060 17.919 1.00 0.00 N ATOM 739 CA ALA A 46 20.341 34.562 18.146 1.00 0.00 C ATOM 740 C ALA A 46 19.762 33.907 19.395 1.00 0.00 C ATOM 741 O ALA A 46 18.600 33.494 19.428 1.00 0.00 O ATOM 742 CB ALA A 46 19.456 34.261 16.931 1.00 0.00 C ATOM 0 H ALA A 46 22.408 34.776 17.807 1.00 0.00 H new ATOM 0 HA ALA A 46 20.376 35.642 18.290 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.450 34.640 17.111 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.874 34.745 16.048 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.414 33.184 16.769 1.00 0.00 H new ATOM 748 N GLY A 47 20.602 33.830 20.422 1.00 0.00 N ATOM 749 CA GLY A 47 20.226 33.249 21.705 1.00 0.00 C ATOM 750 C GLY A 47 19.782 31.785 21.606 1.00 0.00 C ATOM 751 O GLY A 47 19.259 31.241 22.578 1.00 0.00 O ATOM 0 H GLY A 47 21.563 34.169 20.388 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.072 33.318 22.388 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.417 33.837 22.138 1.00 0.00 H new ATOM 755 N LYS A 48 19.987 31.143 20.451 1.00 0.00 N ATOM 756 CA LYS A 48 19.591 29.725 20.285 1.00 0.00 C ATOM 757 C LYS A 48 20.804 28.829 20.037 1.00 0.00 C ATOM 758 O LYS A 48 21.725 29.189 19.303 1.00 0.00 O ATOM 759 CB LYS A 48 18.625 29.563 19.121 1.00 0.00 C ATOM 760 CG LYS A 48 17.277 30.193 19.466 1.00 0.00 C ATOM 761 CD LYS A 48 16.290 29.887 18.338 1.00 0.00 C ATOM 762 CE LYS A 48 14.883 30.322 18.745 1.00 0.00 C ATOM 763 NZ LYS A 48 14.889 31.775 19.074 1.00 0.00 N ATOM 0 H LYS A 48 20.416 31.565 19.627 1.00 0.00 H new ATOM 0 HA LYS A 48 19.106 29.424 21.214 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.037 30.033 18.228 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.493 28.505 18.892 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.905 29.797 20.411 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.385 31.270 19.592 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.592 30.406 17.428 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.300 28.820 18.114 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.181 30.124 17.935 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.547 29.744 19.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.914 32.136 19.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.306 31.916 20.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.452 32.289 18.366 1.00 0.00 H new ATOM 777 N GLN A 49 20.771 27.643 20.639 1.00 0.00 N ATOM 778 CA GLN A 49 21.841 26.673 20.484 1.00 0.00 C ATOM 779 C GLN A 49 21.707 25.950 19.147 1.00 0.00 C ATOM 780 O GLN A 49 20.628 25.471 18.800 1.00 0.00 O ATOM 781 CB GLN A 49 21.776 25.649 21.625 1.00 0.00 C ATOM 782 CG GLN A 49 22.277 26.286 22.924 1.00 0.00 C ATOM 783 CD GLN A 49 21.883 25.419 24.117 1.00 0.00 C ATOM 784 OE1 GLN A 49 20.818 25.617 24.704 1.00 0.00 O ATOM 785 NE2 GLN A 49 22.682 24.466 24.512 1.00 0.00 N ATOM 0 H GLN A 49 20.008 27.333 21.241 1.00 0.00 H new ATOM 0 HA GLN A 49 22.797 27.195 20.513 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.752 25.298 21.753 1.00 0.00 H new ATOM 0 HB3 GLN A 49 22.383 24.778 21.379 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.360 26.400 22.889 1.00 0.00 H new ATOM 0 HG3 GLN A 49 21.855 27.285 23.035 1.00 0.00 H new ATOM 0 HE21 GLN A 49 23.563 24.304 24.024 1.00 0.00 H new ATOM 0 HE22 GLN A 49 22.425 23.883 25.309 1.00 0.00 H new ATOM 794 N LEU A 50 22.796 25.886 18.394 1.00 0.00 N ATOM 795 CA LEU A 50 22.771 25.226 17.087 1.00 0.00 C ATOM 796 C LEU A 50 22.669 23.708 17.247 1.00 0.00 C ATOM 797 O LEU A 50 23.505 23.083 17.898 1.00 0.00 O ATOM 798 CB LEU A 50 24.029 25.589 16.296 1.00 0.00 C ATOM 799 CG LEU A 50 23.879 27.004 15.717 1.00 0.00 C ATOM 800 CD1 LEU A 50 22.812 27.000 14.616 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.460 27.975 16.832 1.00 0.00 C ATOM 0 H LEU A 50 23.701 26.277 18.657 1.00 0.00 H new ATOM 0 HA LEU A 50 21.893 25.572 16.542 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.905 25.540 16.943 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.186 24.870 15.492 1.00 0.00 H new ATOM 0 HG LEU A 50 24.832 27.323 15.296 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.708 28.005 14.207 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.110 26.315 13.823 1.00 0.00 H new ATOM 0 HD13 LEU A 50 21.859 26.678 15.035 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.354 28.978 16.420 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.508 27.654 17.255 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.220 27.982 17.613 1.00 0.00 H new ATOM 813 N GLU A 51 21.621 23.134 16.654 1.00 0.00 N ATOM 814 CA GLU A 51 21.384 21.691 16.738 1.00 0.00 C ATOM 815 C GLU A 51 22.218 20.920 15.723 1.00 0.00 C ATOM 816 O GLU A 51 22.428 21.365 14.593 1.00 0.00 O ATOM 817 CB GLU A 51 19.895 21.395 16.498 1.00 0.00 C ATOM 818 CG GLU A 51 19.098 21.690 17.768 1.00 0.00 C ATOM 819 CD GLU A 51 17.615 21.414 17.534 1.00 0.00 C ATOM 820 OE1 GLU A 51 17.258 21.127 16.404 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.858 21.496 18.489 1.00 0.00 O ATOM 0 H GLU A 51 20.924 23.644 16.111 1.00 0.00 H new ATOM 0 HA GLU A 51 21.678 21.366 17.736 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.522 22.003 15.674 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.764 20.352 16.209 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.465 21.073 18.588 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.240 22.730 18.062 1.00 0.00 H new ATOM 828 N ASP A 52 22.675 19.747 16.142 1.00 0.00 N ATOM 829 CA ASP A 52 23.474 18.896 15.285 1.00 0.00 C ATOM 830 C ASP A 52 22.613 18.282 14.180 1.00 0.00 C ATOM 831 O ASP A 52 21.418 18.052 14.370 1.00 0.00 O ATOM 832 CB ASP A 52 24.115 17.784 16.114 1.00 0.00 C ATOM 833 CG ASP A 52 24.973 18.388 17.221 1.00 0.00 C ATOM 834 OD1 ASP A 52 25.783 19.246 16.915 1.00 0.00 O ATOM 835 OD2 ASP A 52 24.806 17.982 18.360 1.00 0.00 O ATOM 0 H ASP A 52 22.503 19.367 17.073 1.00 0.00 H new ATOM 0 HA ASP A 52 24.253 19.503 14.823 1.00 0.00 H new ATOM 0 HB2 ASP A 52 23.341 17.150 16.547 1.00 0.00 H new ATOM 0 HB3 ASP A 52 24.727 17.148 15.474 1.00 0.00 H new ATOM 840 N GLY A 53 23.231 18.008 13.035 1.00 0.00 N ATOM 841 CA GLY A 53 22.518 17.407 11.906 1.00 0.00 C ATOM 842 C GLY A 53 21.839 18.465 11.032 1.00 0.00 C ATOM 843 O GLY A 53 21.388 18.160 9.929 1.00 0.00 O ATOM 0 H GLY A 53 24.220 18.191 12.862 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.217 16.830 11.301 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.769 16.709 12.280 1.00 0.00 H new ATOM 847 N ARG A 54 21.778 19.710 11.515 1.00 0.00 N ATOM 848 CA ARG A 54 21.160 20.790 10.735 1.00 0.00 C ATOM 849 C ARG A 54 22.224 21.590 9.983 1.00 0.00 C ATOM 850 O ARG A 54 23.390 21.613 10.375 1.00 0.00 O ATOM 851 CB ARG A 54 20.370 21.722 11.651 1.00 0.00 C ATOM 852 CG ARG A 54 19.176 20.972 12.244 1.00 0.00 C ATOM 853 CD ARG A 54 18.192 21.975 12.848 1.00 0.00 C ATOM 854 NE ARG A 54 17.119 21.275 13.545 1.00 0.00 N ATOM 855 CZ ARG A 54 16.131 21.944 14.128 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.200 21.301 14.778 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.087 23.245 14.043 1.00 0.00 N ATOM 0 H ARG A 54 22.141 19.993 12.425 1.00 0.00 H new ATOM 0 HA ARG A 54 20.481 20.339 10.011 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.012 22.093 12.450 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.024 22.591 11.091 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.683 20.383 11.471 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.515 20.274 13.009 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.714 22.635 13.540 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.774 22.604 12.062 1.00 0.00 H new ATOM 0 HE ARG A 54 17.128 20.256 13.585 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.231 20.283 14.839 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.442 21.816 15.225 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.811 23.747 13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.329 23.760 14.490 1.00 0.00 H new ATOM 871 N THR A 55 21.811 22.255 8.904 1.00 0.00 N ATOM 872 CA THR A 55 22.728 23.069 8.099 1.00 0.00 C ATOM 873 C THR A 55 22.590 24.538 8.483 1.00 0.00 C ATOM 874 O THR A 55 21.591 24.930 9.074 1.00 0.00 O ATOM 875 CB THR A 55 22.399 22.900 6.610 1.00 0.00 C ATOM 876 OG1 THR A 55 21.002 23.073 6.416 1.00 0.00 O ATOM 877 CG2 THR A 55 22.812 21.500 6.145 1.00 0.00 C ATOM 0 H THR A 55 20.849 22.247 8.566 1.00 0.00 H new ATOM 0 HA THR A 55 23.751 22.741 8.286 1.00 0.00 H new ATOM 0 HB THR A 55 22.944 23.645 6.031 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.788 22.967 5.465 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.577 21.384 5.087 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.884 21.368 6.295 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.270 20.750 6.722 1.00 0.00 H new ATOM 885 N LEU A 56 23.585 25.354 8.143 1.00 0.00 N ATOM 886 CA LEU A 56 23.508 26.773 8.473 1.00 0.00 C ATOM 887 C LEU A 56 22.267 27.393 7.821 1.00 0.00 C ATOM 888 O LEU A 56 21.596 28.222 8.435 1.00 0.00 O ATOM 889 CB LEU A 56 24.791 27.519 8.027 1.00 0.00 C ATOM 890 CG LEU A 56 25.839 27.525 9.157 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.373 26.105 9.378 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.001 28.454 8.776 1.00 0.00 C ATOM 0 H LEU A 56 24.432 25.067 7.652 1.00 0.00 H new ATOM 0 HA LEU A 56 23.426 26.873 9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.207 27.039 7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.544 28.543 7.748 1.00 0.00 H new ATOM 0 HG LEU A 56 25.373 27.882 10.075 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.113 26.115 10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.550 25.446 9.654 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.836 25.743 8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.741 28.457 9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.463 28.099 7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.624 29.466 8.626 1.00 0.00 H new ATOM 904 N SER A 57 21.965 27.003 6.579 1.00 0.00 N ATOM 905 CA SER A 57 20.800 27.553 5.886 1.00 0.00 C ATOM 906 C SER A 57 19.572 27.485 6.779 1.00 0.00 C ATOM 907 O SER A 57 18.752 28.404 6.793 1.00 0.00 O ATOM 908 CB SER A 57 20.526 26.771 4.597 1.00 0.00 C ATOM 909 OG SER A 57 21.654 26.862 3.739 1.00 0.00 O ATOM 0 H SER A 57 22.501 26.321 6.042 1.00 0.00 H new ATOM 0 HA SER A 57 21.013 28.593 5.640 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.316 25.727 4.830 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.643 27.170 4.098 1.00 0.00 H new ATOM 0 HG SER A 57 22.471 26.915 4.277 1.00 0.00 H new ATOM 915 N ASP A 58 19.457 26.400 7.538 1.00 0.00 N ATOM 916 CA ASP A 58 18.326 26.238 8.439 1.00 0.00 C ATOM 917 C ASP A 58 18.213 27.468 9.326 1.00 0.00 C ATOM 918 O ASP A 58 17.125 27.997 9.550 1.00 0.00 O ATOM 919 CB ASP A 58 18.519 24.988 9.306 1.00 0.00 C ATOM 920 CG ASP A 58 18.564 23.739 8.430 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.843 23.700 7.448 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.319 22.837 8.757 1.00 0.00 O ATOM 0 H ASP A 58 20.125 25.629 7.547 1.00 0.00 H new ATOM 0 HA ASP A 58 17.413 26.122 7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.443 25.073 9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.705 24.907 10.026 1.00 0.00 H new ATOM 927 N TYR A 59 19.368 27.924 9.809 1.00 0.00 N ATOM 928 CA TYR A 59 19.452 29.106 10.665 1.00 0.00 C ATOM 929 C TYR A 59 19.959 30.300 9.855 1.00 0.00 C ATOM 930 O TYR A 59 21.121 30.314 9.481 1.00 0.00 O ATOM 931 CB TYR A 59 20.442 28.829 11.797 1.00 0.00 C ATOM 932 CG TYR A 59 19.941 27.686 12.649 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.502 26.406 12.515 1.00 0.00 C ATOM 934 CD2 TYR A 59 18.920 27.908 13.578 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.036 25.352 13.312 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.456 26.855 14.373 1.00 0.00 C ATOM 937 CZ TYR A 59 19.014 25.577 14.242 1.00 0.00 C ATOM 938 OH TYR A 59 18.556 24.540 15.028 1.00 0.00 O ATOM 0 H TYR A 59 20.269 27.486 9.619 1.00 0.00 H new ATOM 0 HA TYR A 59 18.464 29.330 11.067 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.421 28.585 11.384 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.568 29.722 12.409 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.292 26.234 11.799 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.489 28.893 13.682 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.465 24.366 13.209 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.666 27.028 15.089 1.00 0.00 H new ATOM 0 HH TYR A 59 17.846 24.867 15.620 1.00 0.00 H new ATOM 948 N ASN A 60 19.065 31.246 9.529 1.00 0.00 N ATOM 949 CA ASN A 60 19.418 32.414 8.695 1.00 0.00 C ATOM 950 C ASN A 60 20.721 33.114 9.127 1.00 0.00 C ATOM 951 O ASN A 60 20.710 34.276 9.536 1.00 0.00 O ATOM 952 CB ASN A 60 18.271 33.433 8.705 1.00 0.00 C ATOM 953 CG ASN A 60 16.961 32.761 8.297 1.00 0.00 C ATOM 954 OD1 ASN A 60 16.199 32.316 9.155 1.00 0.00 O ATOM 955 ND2 ASN A 60 16.649 32.665 7.032 1.00 0.00 N ATOM 0 H ASN A 60 18.090 31.228 9.829 1.00 0.00 H new ATOM 0 HA ASN A 60 19.584 32.026 7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.170 33.868 9.700 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.496 34.251 8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.773 32.221 6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.281 33.034 6.321 1.00 0.00 H new ATOM 962 N ILE A 61 21.835 32.395 9.011 1.00 0.00 N ATOM 963 CA ILE A 61 23.160 32.915 9.350 1.00 0.00 C ATOM 964 C ILE A 61 23.869 33.335 8.062 1.00 0.00 C ATOM 965 O ILE A 61 24.382 32.488 7.336 1.00 0.00 O ATOM 966 CB ILE A 61 23.986 31.814 10.027 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.365 31.440 11.375 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.422 32.302 10.248 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.058 30.186 11.918 1.00 0.00 C ATOM 0 H ILE A 61 21.845 31.431 8.678 1.00 0.00 H new ATOM 0 HA ILE A 61 23.057 33.766 10.024 1.00 0.00 H new ATOM 0 HB ILE A 61 23.994 30.937 9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.473 32.264 12.080 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.297 31.258 11.259 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.004 31.516 10.729 1.00 0.00 H new ATOM 0 HG22 ILE A 61 25.873 32.551 9.288 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.412 33.187 10.885 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.620 29.915 12.878 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.927 29.364 11.214 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.122 30.386 12.048 1.00 0.00 H new ATOM 981 N GLN A 62 23.873 34.633 7.754 1.00 0.00 N ATOM 982 CA GLN A 62 24.506 35.103 6.518 1.00 0.00 C ATOM 983 C GLN A 62 25.991 35.382 6.699 1.00 0.00 C ATOM 984 O GLN A 62 26.530 35.289 7.801 1.00 0.00 O ATOM 985 CB GLN A 62 23.814 36.365 6.008 1.00 0.00 C ATOM 986 CG GLN A 62 22.389 36.024 5.568 1.00 0.00 C ATOM 987 CD GLN A 62 21.701 37.273 5.031 1.00 0.00 C ATOM 988 OE1 GLN A 62 21.699 37.511 3.824 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.115 38.090 5.862 1.00 0.00 N ATOM 0 H GLN A 62 23.455 35.365 8.329 1.00 0.00 H new ATOM 0 HA GLN A 62 24.400 34.301 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 62 23.792 37.122 6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 62 24.373 36.786 5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.411 35.251 4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.826 35.621 6.409 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.119 37.890 6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.653 38.929 5.512 1.00 0.00 H new ATOM 998 N LYS A 63 26.642 35.699 5.584 1.00 0.00 N ATOM 999 CA LYS A 63 28.075 35.964 5.589 1.00 0.00 C ATOM 1000 C LYS A 63 28.442 37.117 6.517 1.00 0.00 C ATOM 1001 O LYS A 63 27.695 38.085 6.670 1.00 0.00 O ATOM 1002 CB LYS A 63 28.579 36.247 4.163 1.00 0.00 C ATOM 1003 CG LYS A 63 28.070 37.596 3.644 1.00 0.00 C ATOM 1004 CD LYS A 63 28.545 37.771 2.194 1.00 0.00 C ATOM 1005 CE LYS A 63 28.299 39.208 1.728 1.00 0.00 C ATOM 1006 NZ LYS A 63 26.835 39.488 1.726 1.00 0.00 N ATOM 0 H LYS A 63 26.200 35.778 4.668 1.00 0.00 H new ATOM 0 HA LYS A 63 28.566 35.068 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 63 29.669 36.240 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.249 35.451 3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.982 37.635 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.446 38.408 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.606 37.533 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.016 37.074 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.813 39.908 2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.709 39.352 0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.653 40.380 1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.334 38.712 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.495 39.567 2.706 1.00 0.00 H new ATOM 1020 N GLU A 64 29.621 36.991 7.120 1.00 0.00 N ATOM 1021 CA GLU A 64 30.150 38.004 8.029 1.00 0.00 C ATOM 1022 C GLU A 64 29.219 38.256 9.213 1.00 0.00 C ATOM 1023 O GLU A 64 28.626 39.329 9.333 1.00 0.00 O ATOM 1024 CB GLU A 64 30.406 39.302 7.265 1.00 0.00 C ATOM 1025 CG GLU A 64 31.453 39.034 6.179 1.00 0.00 C ATOM 1026 CD GLU A 64 31.687 40.289 5.347 1.00 0.00 C ATOM 1027 OE1 GLU A 64 30.718 40.961 5.035 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.834 40.558 5.030 1.00 0.00 O ATOM 0 H GLU A 64 30.235 36.187 6.993 1.00 0.00 H new ATOM 0 HA GLU A 64 31.090 37.629 8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 64 29.481 39.665 6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 64 30.757 40.078 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 64 32.389 38.714 6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 64 31.119 38.220 5.535 1.00 0.00 H new HETATM 1035 N SEP A 65 29.127 37.269 10.107 1.00 0.00 N HETATM 1036 CA SEP A 65 28.302 37.375 11.314 1.00 0.00 C HETATM 1037 CB SEP A 65 27.060 36.486 11.184 1.00 0.00 C HETATM 1038 OG SEP A 65 26.206 37.011 10.172 1.00 0.00 O HETATM 1039 C SEP A 65 29.138 36.927 12.509 1.00 0.00 C HETATM 1040 O SEP A 65 30.133 36.223 12.331 1.00 0.00 O HETATM 1041 P SEP A 65 25.190 38.116 10.510 1.00 0.00 P HETATM 1042 O1P SEP A 65 25.300 39.153 9.339 1.00 0.00 O HETATM 1043 O2P SEP A 65 25.648 38.692 11.892 1.00 0.00 O HETATM 1044 O3P SEP A 65 23.801 37.393 10.568 1.00 0.00 O HETATM 0 HB3 SEP A 65 27.354 35.466 10.935 1.00 0.00 H new HETATM 0 HB2 SEP A 65 26.530 36.441 12.135 1.00 0.00 H new HETATM 0 HA SEP A 65 27.975 38.406 11.450 1.00 0.00 H new ATOM 1049 N THR A 66 28.751 37.319 13.724 1.00 0.00 N ATOM 1050 CA THR A 66 29.511 36.923 14.915 1.00 0.00 C ATOM 1051 C THR A 66 28.834 35.758 15.630 1.00 0.00 C ATOM 1052 O THR A 66 27.677 35.853 16.046 1.00 0.00 O ATOM 1053 CB THR A 66 29.637 38.107 15.876 1.00 0.00 C ATOM 1054 OG1 THR A 66 30.347 39.158 15.232 1.00 0.00 O ATOM 1055 CG2 THR A 66 30.400 37.667 17.128 1.00 0.00 C ATOM 0 H THR A 66 27.933 37.899 13.910 1.00 0.00 H new ATOM 0 HA THR A 66 30.503 36.607 14.593 1.00 0.00 H new ATOM 0 HB THR A 66 28.645 38.457 16.161 1.00 0.00 H new ATOM 0 HG1 THR A 66 30.429 39.920 15.843 1.00 0.00 H new ATOM 0 HG21 THR A 66 30.491 38.509 17.814 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.859 36.857 17.618 1.00 0.00 H new ATOM 0 HG23 THR A 66 31.394 37.321 16.845 1.00 0.00 H new ATOM 1063 N LEU A 67 29.574 34.658 15.780 1.00 0.00 N ATOM 1064 CA LEU A 67 29.059 33.466 16.456 1.00 0.00 C ATOM 1065 C LEU A 67 29.576 33.427 17.893 1.00 0.00 C ATOM 1066 O LEU A 67 30.705 33.841 18.157 1.00 0.00 O ATOM 1067 CB LEU A 67 29.529 32.204 15.703 1.00 0.00 C ATOM 1068 CG LEU A 67 28.577 31.893 14.533 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.203 31.439 15.074 1.00 0.00 C ATOM 1070 CD2 LEU A 67 28.414 33.148 13.664 1.00 0.00 C ATOM 0 H LEU A 67 30.532 34.568 15.442 1.00 0.00 H new ATOM 0 HA LEU A 67 27.970 33.498 16.466 1.00 0.00 H new ATOM 0 HB2 LEU A 67 30.541 32.353 15.327 1.00 0.00 H new ATOM 0 HB3 LEU A 67 29.564 31.356 16.387 1.00 0.00 H new ATOM 0 HG LEU A 67 28.996 31.088 13.929 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.537 31.221 14.239 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.329 30.542 15.681 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.772 32.233 15.685 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.741 32.931 12.835 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.999 33.956 14.266 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.386 33.449 13.273 1.00 0.00 H new ATOM 1082 N HIS A 68 28.762 32.926 18.827 1.00 0.00 N ATOM 1083 CA HIS A 68 29.181 32.847 20.224 1.00 0.00 C ATOM 1084 C HIS A 68 29.730 31.450 20.533 1.00 0.00 C ATOM 1085 O HIS A 68 29.026 30.451 20.366 1.00 0.00 O ATOM 1086 CB HIS A 68 27.994 33.144 21.143 1.00 0.00 C ATOM 1087 CG HIS A 68 27.538 34.563 20.929 1.00 0.00 C ATOM 1088 ND1 HIS A 68 26.552 34.894 20.010 1.00 0.00 N ATOM 1089 CD2 HIS A 68 27.923 35.749 21.506 1.00 0.00 C ATOM 1090 CE1 HIS A 68 26.380 36.228 20.062 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.191 36.798 20.958 1.00 0.00 N ATOM 0 H HIS A 68 27.823 32.574 18.642 1.00 0.00 H new ATOM 0 HA HIS A 68 29.965 33.585 20.396 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.177 32.453 20.935 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.280 32.996 22.184 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.680 35.852 22.270 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.672 36.772 19.453 1.00 0.00 H new ATOM 0 HE2 HIS A 68 27.259 37.789 21.190 1.00 0.00 H new ATOM 1100 N LEU A 69 30.987 31.376 20.992 1.00 0.00 N ATOM 1101 CA LEU A 69 31.611 30.109 21.326 1.00 0.00 C ATOM 1102 C LEU A 69 31.714 30.004 22.832 1.00 0.00 C ATOM 1103 O LEU A 69 32.520 30.679 23.472 1.00 0.00 O ATOM 1104 CB LEU A 69 33.000 30.040 20.690 1.00 0.00 C ATOM 1105 CG LEU A 69 33.514 28.579 20.691 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.822 28.495 19.898 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.759 28.103 22.133 1.00 0.00 C ATOM 0 H LEU A 69 31.586 32.189 21.138 1.00 0.00 H new ATOM 0 HA LEU A 69 31.014 29.281 20.945 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.960 30.419 19.669 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.692 30.678 21.240 1.00 0.00 H new ATOM 0 HG LEU A 69 32.762 27.940 20.228 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.183 27.466 19.899 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.646 28.817 18.871 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.569 29.142 20.358 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.120 27.075 22.120 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.504 28.743 22.606 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.827 28.153 22.696 1.00 0.00 H new ATOM 1119 N VAL A 70 30.877 29.149 23.383 1.00 0.00 N ATOM 1120 CA VAL A 70 30.834 28.919 24.826 1.00 0.00 C ATOM 1121 C VAL A 70 31.417 27.551 25.145 1.00 0.00 C ATOM 1122 O VAL A 70 31.201 26.587 24.411 1.00 0.00 O ATOM 1123 CB VAL A 70 29.388 29.000 25.314 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.344 28.811 26.830 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.809 30.373 24.954 1.00 0.00 C ATOM 0 H VAL A 70 30.207 28.592 22.852 1.00 0.00 H new ATOM 0 HA VAL A 70 31.425 29.682 25.333 1.00 0.00 H new ATOM 0 HB VAL A 70 28.800 28.216 24.837 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.311 28.869 27.174 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.758 27.836 27.087 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.932 29.593 27.311 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.777 30.435 25.300 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.400 31.154 25.432 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.837 30.508 23.873 1.00 0.00 H new ATOM 1135 N LEU A 71 32.167 27.472 26.239 1.00 0.00 N ATOM 1136 CA LEU A 71 32.793 26.214 26.643 1.00 0.00 C ATOM 1137 C LEU A 71 32.087 25.635 27.860 1.00 0.00 C ATOM 1138 O LEU A 71 31.304 26.313 28.525 1.00 0.00 O ATOM 1139 CB LEU A 71 34.276 26.444 26.967 1.00 0.00 C ATOM 1140 CG LEU A 71 34.453 27.784 27.720 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.633 27.677 28.687 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.716 28.918 26.713 1.00 0.00 C ATOM 0 H LEU A 71 32.357 28.258 26.860 1.00 0.00 H new ATOM 0 HA LEU A 71 32.710 25.507 25.818 1.00 0.00 H new ATOM 0 HB2 LEU A 71 34.655 25.623 27.575 1.00 0.00 H new ATOM 0 HB3 LEU A 71 34.860 26.455 26.047 1.00 0.00 H new ATOM 0 HG LEU A 71 33.543 28.003 28.279 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.756 28.622 29.217 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.443 26.880 29.406 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.542 27.453 28.129 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.840 29.859 27.249 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.622 28.700 26.148 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.872 28.999 26.028 1.00 0.00 H new ATOM 1154 N ARG A 72 32.377 24.372 28.143 1.00 0.00 N ATOM 1155 CA ARG A 72 31.775 23.699 29.283 1.00 0.00 C ATOM 1156 C ARG A 72 32.502 24.080 30.563 1.00 0.00 C ATOM 1157 O ARG A 72 31.883 24.263 31.613 1.00 0.00 O ATOM 1158 CB ARG A 72 31.839 22.183 29.086 1.00 0.00 C ATOM 1159 CG ARG A 72 31.174 21.483 30.272 1.00 0.00 C ATOM 1160 CD ARG A 72 30.947 20.010 29.932 1.00 0.00 C ATOM 1161 NE ARG A 72 30.447 19.292 31.100 1.00 0.00 N ATOM 1162 CZ ARG A 72 29.778 18.152 30.972 1.00 0.00 C ATOM 1163 NH1 ARG A 72 29.345 17.528 32.032 1.00 0.00 N ATOM 1164 NH2 ARG A 72 29.553 17.656 29.786 1.00 0.00 N ATOM 0 H ARG A 72 33.022 23.797 27.601 1.00 0.00 H new ATOM 0 HA ARG A 72 30.733 24.009 29.362 1.00 0.00 H new ATOM 0 HB2 ARG A 72 31.338 21.905 28.159 1.00 0.00 H new ATOM 0 HB3 ARG A 72 32.877 21.861 28.996 1.00 0.00 H new ATOM 0 HG2 ARG A 72 31.802 21.570 31.158 1.00 0.00 H new ATOM 0 HG3 ARG A 72 30.224 21.964 30.506 1.00 0.00 H new ATOM 0 HD2 ARG A 72 30.234 19.925 29.112 1.00 0.00 H new ATOM 0 HD3 ARG A 72 31.880 19.560 29.592 1.00 0.00 H new ATOM 0 HE ARG A 72 30.614 19.673 32.031 1.00 0.00 H new ATOM 0 HH11 ARG A 72 29.520 17.916 32.959 1.00 0.00 H new ATOM 0 HH12 ARG A 72 28.831 16.652 31.934 1.00 0.00 H new ATOM 0 HH21 ARG A 72 29.891 18.144 28.957 1.00 0.00 H new ATOM 0 HH22 ARG A 72 29.039 16.780 29.689 1.00 0.00 H new ATOM 1178 N LEU A 73 33.823 24.200 30.473 1.00 0.00 N ATOM 1179 CA LEU A 73 34.627 24.562 31.633 1.00 0.00 C ATOM 1180 C LEU A 73 34.656 26.079 31.805 1.00 0.00 C ATOM 1181 O LEU A 73 35.717 26.701 31.763 1.00 0.00 O ATOM 1182 CB LEU A 73 36.057 24.027 31.475 1.00 0.00 C ATOM 1183 CG LEU A 73 36.021 22.555 31.031 1.00 0.00 C ATOM 1184 CD1 LEU A 73 37.454 22.021 30.876 1.00 0.00 C ATOM 1185 CD2 LEU A 73 35.284 21.719 32.081 1.00 0.00 C ATOM 0 H LEU A 73 34.355 24.053 29.615 1.00 0.00 H new ATOM 0 HA LEU A 73 34.177 24.115 32.520 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.598 24.624 30.741 1.00 0.00 H new ATOM 0 HB3 LEU A 73 36.595 24.118 32.419 1.00 0.00 H new ATOM 0 HG LEU A 73 35.502 22.485 30.075 1.00 0.00 H new ATOM 0 HD11 LEU A 73 37.422 20.978 30.561 1.00 0.00 H new ATOM 0 HD12 LEU A 73 37.983 22.610 30.126 1.00 0.00 H new ATOM 0 HD13 LEU A 73 37.975 22.096 31.830 1.00 0.00 H new ATOM 0 HD21 LEU A 73 35.260 20.676 31.764 1.00 0.00 H new ATOM 0 HD22 LEU A 73 35.802 21.796 33.037 1.00 0.00 H new ATOM 0 HD23 LEU A 73 34.265 22.089 32.190 1.00 0.00 H new ATOM 1197 N ARG A 74 33.478 26.668 31.995 1.00 0.00 N ATOM 1198 CA ARG A 74 33.371 28.111 32.174 1.00 0.00 C ATOM 1199 C ARG A 74 33.973 28.537 33.511 1.00 0.00 C ATOM 1200 O ARG A 74 34.431 29.669 33.665 1.00 0.00 O ATOM 1201 CB ARG A 74 31.900 28.529 32.125 1.00 0.00 C ATOM 1202 CG ARG A 74 31.132 27.835 33.254 1.00 0.00 C ATOM 1203 CD ARG A 74 29.634 28.094 33.086 1.00 0.00 C ATOM 1204 NE ARG A 74 29.355 29.523 33.179 1.00 0.00 N ATOM 1205 CZ ARG A 74 28.207 30.030 32.738 1.00 0.00 C ATOM 1206 NH1 ARG A 74 27.981 31.311 32.829 1.00 0.00 N ATOM 1207 NH2 ARG A 74 27.308 29.243 32.212 1.00 0.00 N ATOM 0 H ARG A 74 32.589 26.170 32.029 1.00 0.00 H new ATOM 0 HA ARG A 74 33.922 28.599 31.370 1.00 0.00 H new ATOM 0 HB2 ARG A 74 31.815 29.611 32.225 1.00 0.00 H new ATOM 0 HB3 ARG A 74 31.468 28.263 31.160 1.00 0.00 H new ATOM 0 HG2 ARG A 74 31.331 26.763 33.238 1.00 0.00 H new ATOM 0 HG3 ARG A 74 31.470 28.208 34.221 1.00 0.00 H new ATOM 0 HD2 ARG A 74 29.298 27.713 32.122 1.00 0.00 H new ATOM 0 HD3 ARG A 74 29.077 27.557 33.853 1.00 0.00 H new ATOM 0 HE ARG A 74 30.052 30.144 33.589 1.00 0.00 H new ATOM 0 HH11 ARG A 74 28.685 31.925 33.239 1.00 0.00 H new ATOM 0 HH12 ARG A 74 27.100 31.699 32.491 1.00 0.00 H new ATOM 0 HH21 ARG A 74 27.487 28.241 32.140 1.00 0.00 H new ATOM 0 HH22 ARG A 74 26.427 29.630 31.873 1.00 0.00 H new ATOM 1221 N GLY A 75 33.964 27.623 34.478 1.00 0.00 N ATOM 1222 CA GLY A 75 34.506 27.916 35.799 1.00 0.00 C ATOM 1223 C GLY A 75 36.030 27.922 35.777 1.00 0.00 C ATOM 1224 O GLY A 75 36.653 27.099 35.106 1.00 0.00 O ATOM 0 H GLY A 75 33.590 26.680 34.372 1.00 0.00 H new ATOM 0 HA2 GLY A 75 34.140 28.885 36.139 1.00 0.00 H new ATOM 0 HA3 GLY A 75 34.152 27.173 36.514 1.00 0.00 H new ATOM 1228 N GLY A 76 36.625 28.854 36.514 1.00 0.00 N ATOM 1229 CA GLY A 76 38.079 28.957 36.571 1.00 0.00 C ATOM 1230 C GLY A 76 38.507 30.137 37.437 1.00 0.00 C ATOM 1231 O GLY A 76 38.837 29.912 38.590 1.00 0.00 O ATOM 1232 OXT GLY A 76 38.498 31.250 36.935 1.00 0.00 O ATOM 0 H GLY A 76 36.127 29.544 37.076 1.00 0.00 H new ATOM 0 HA2 GLY A 76 38.497 28.035 36.974 1.00 0.00 H new ATOM 0 HA3 GLY A 76 38.479 29.076 35.564 1.00 0.00 H new TER 1236 GLY A 76