USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 66 THR OG1 : rot -149:sc= -0.847 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -1.05 X(o=-1.9,f=-2.4) USER MOD Set 2.1: A 7 THR OG1 : rot -44:sc= 0.762 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0026 USER MOD Single : A 1 MET CE :methyl -132:sc= -0.328 (180deg=-1.62) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.259 (180deg=-0.87!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc=-0.00625 (180deg=-0.149) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -87:sc= 0.872 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 : amide:sc= -1.65 K(o=-1.6,f=-4!) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 1.08 (180deg=0.714) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= -0.106 (180deg=-0.631) USER MOD Single : A 31 GLN : amide:sc= -1.93 K(o=-1.9,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= -0.612 (180deg=-3.51!) USER MOD Single : A 40 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.16) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.624! C(o=-4.2!,f=-0.62!) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc=-0.00187 (180deg=-0.172) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00151 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.195 USER MOD Single : A 60 ASN : amide:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.0128 (180deg=-0.437) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.658 25.048 1.395 1.00 0.00 N ATOM 2 CA MET A 1 30.400 25.846 1.326 1.00 0.00 C ATOM 3 C MET A 1 30.593 27.165 2.068 1.00 0.00 C ATOM 4 O MET A 1 31.707 27.694 2.139 1.00 0.00 O ATOM 5 CB MET A 1 29.251 25.046 1.952 1.00 0.00 C ATOM 6 CG MET A 1 29.544 24.781 3.434 1.00 0.00 C ATOM 7 SD MET A 1 28.237 23.738 4.125 1.00 0.00 S ATOM 8 CE MET A 1 28.669 23.969 5.867 1.00 0.00 C ATOM 0 H1 MET A 1 31.437 24.039 1.271 1.00 0.00 H new ATOM 0 H2 MET A 1 32.306 25.355 0.641 1.00 0.00 H new ATOM 0 H3 MET A 1 32.110 25.192 2.320 1.00 0.00 H new ATOM 0 HA MET A 1 30.156 26.059 0.285 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.316 25.597 1.850 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.124 24.101 1.423 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.512 24.291 3.543 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.600 25.723 3.980 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.700 23.000 6.366 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.647 24.446 5.939 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.921 24.600 6.347 1.00 0.00 H new ATOM 20 N GLN A 2 29.502 27.688 2.628 1.00 0.00 N ATOM 21 CA GLN A 2 29.553 28.946 3.370 1.00 0.00 C ATOM 22 C GLN A 2 28.588 28.915 4.555 1.00 0.00 C ATOM 23 O GLN A 2 27.547 28.260 4.507 1.00 0.00 O ATOM 24 CB GLN A 2 29.184 30.104 2.440 1.00 0.00 C ATOM 25 CG GLN A 2 27.771 29.891 1.890 1.00 0.00 C ATOM 26 CD GLN A 2 27.426 30.991 0.893 1.00 0.00 C ATOM 27 OE1 GLN A 2 28.052 31.091 -0.163 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.462 31.827 1.165 1.00 0.00 N ATOM 0 H GLN A 2 28.577 27.262 2.582 1.00 0.00 H new ATOM 0 HA GLN A 2 30.565 29.085 3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 2 29.236 31.049 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.899 30.167 1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.704 28.917 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.050 29.891 2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.945 31.742 2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.225 32.565 0.502 1.00 0.00 H new ATOM 37 N ILE A 3 28.950 29.638 5.614 1.00 0.00 N ATOM 38 CA ILE A 3 28.122 29.706 6.814 1.00 0.00 C ATOM 39 C ILE A 3 28.172 31.102 7.428 1.00 0.00 C ATOM 40 O ILE A 3 29.188 31.790 7.356 1.00 0.00 O ATOM 41 CB ILE A 3 28.591 28.678 7.839 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.046 28.960 8.239 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.495 27.271 7.241 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.456 28.011 9.362 1.00 0.00 C ATOM 0 H ILE A 3 29.810 30.184 5.664 1.00 0.00 H new ATOM 0 HA ILE A 3 27.093 29.486 6.528 1.00 0.00 H new ATOM 0 HB ILE A 3 27.955 28.745 8.722 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.703 28.829 7.379 1.00 0.00 H new ATOM 0 HG13 ILE A 3 30.151 29.995 8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.831 26.540 7.976 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.461 27.062 6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.125 27.209 6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.489 28.210 9.647 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.806 28.164 10.223 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.366 26.980 9.018 1.00 0.00 H new ATOM 56 N PHE A 4 27.057 31.515 8.022 1.00 0.00 N ATOM 57 CA PHE A 4 26.961 32.838 8.644 1.00 0.00 C ATOM 58 C PHE A 4 27.182 32.742 10.148 1.00 0.00 C ATOM 59 O PHE A 4 26.559 31.914 10.813 1.00 0.00 O ATOM 60 CB PHE A 4 25.577 33.432 8.378 1.00 0.00 C ATOM 61 CG PHE A 4 25.463 33.843 6.929 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.881 32.972 6.000 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.938 35.094 6.514 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.766 33.355 4.658 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.823 35.476 5.172 1.00 0.00 C ATOM 66 CZ PHE A 4 25.240 34.605 4.244 1.00 0.00 C ATOM 0 H PHE A 4 26.206 30.956 8.088 1.00 0.00 H new ATOM 0 HA PHE A 4 27.731 33.478 8.213 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.806 32.701 8.619 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.412 34.295 9.024 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.521 32.005 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 4 26.393 35.763 7.229 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.312 32.686 3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 4 26.184 36.443 4.853 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.156 34.898 3.208 1.00 0.00 H new ATOM 76 N VAL A 5 28.058 33.597 10.692 1.00 0.00 N ATOM 77 CA VAL A 5 28.335 33.597 12.131 1.00 0.00 C ATOM 78 C VAL A 5 27.879 34.905 12.755 1.00 0.00 C ATOM 79 O VAL A 5 28.400 35.981 12.455 1.00 0.00 O ATOM 80 CB VAL A 5 29.829 33.390 12.382 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.149 33.637 13.863 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.188 31.949 12.032 1.00 0.00 C ATOM 0 H VAL A 5 28.583 34.292 10.161 1.00 0.00 H new ATOM 0 HA VAL A 5 27.784 32.777 12.591 1.00 0.00 H new ATOM 0 HB VAL A 5 30.402 34.086 11.769 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.215 33.488 14.035 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.878 34.659 14.128 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.581 32.940 14.479 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.252 31.786 12.206 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.610 31.268 12.657 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.959 31.762 10.983 1.00 0.00 H new ATOM 92 N LYS A 6 26.889 34.790 13.615 1.00 0.00 N ATOM 93 CA LYS A 6 26.325 35.950 14.295 1.00 0.00 C ATOM 94 C LYS A 6 27.057 36.210 15.615 1.00 0.00 C ATOM 95 O LYS A 6 26.899 35.460 16.579 1.00 0.00 O ATOM 96 CB LYS A 6 24.847 35.679 14.554 1.00 0.00 C ATOM 97 CG LYS A 6 24.105 36.975 14.858 1.00 0.00 C ATOM 98 CD LYS A 6 22.622 36.647 15.059 1.00 0.00 C ATOM 99 CE LYS A 6 21.835 37.919 15.369 1.00 0.00 C ATOM 100 NZ LYS A 6 20.403 37.571 15.591 1.00 0.00 N ATOM 0 H LYS A 6 26.452 33.903 13.864 1.00 0.00 H new ATOM 0 HA LYS A 6 26.440 36.836 13.671 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.403 35.196 13.684 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.740 34.989 15.391 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.514 37.445 15.752 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.229 37.684 14.040 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.222 36.174 14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.508 35.933 15.874 1.00 0.00 H new ATOM 0 HE2 LYS A 6 22.244 38.407 16.254 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.926 38.626 14.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.864 38.435 15.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.018 37.124 14.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.326 36.911 16.391 1.00 0.00 H new ATOM 114 N THR A 7 27.862 37.271 15.646 1.00 0.00 N ATOM 115 CA THR A 7 28.617 37.613 16.852 1.00 0.00 C ATOM 116 C THR A 7 27.687 38.206 17.904 1.00 0.00 C ATOM 117 O THR A 7 26.514 38.455 17.627 1.00 0.00 O ATOM 118 CB THR A 7 29.728 38.613 16.518 1.00 0.00 C ATOM 119 OG1 THR A 7 29.146 39.839 16.102 1.00 0.00 O ATOM 120 CG2 THR A 7 30.610 38.050 15.400 1.00 0.00 C ATOM 0 H THR A 7 28.008 37.903 14.859 1.00 0.00 H new ATOM 0 HA THR A 7 29.068 36.703 17.248 1.00 0.00 H new ATOM 0 HB THR A 7 30.342 38.785 17.402 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.406 39.657 15.485 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.399 38.764 15.165 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.056 37.111 15.727 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.003 37.874 14.512 1.00 0.00 H new ATOM 128 N LEU A 8 28.198 38.430 19.116 1.00 0.00 N ATOM 129 CA LEU A 8 27.374 38.990 20.182 1.00 0.00 C ATOM 130 C LEU A 8 27.257 40.506 20.044 1.00 0.00 C ATOM 131 O LEU A 8 26.277 41.100 20.491 1.00 0.00 O ATOM 132 CB LEU A 8 27.985 38.648 21.550 1.00 0.00 C ATOM 133 CG LEU A 8 29.523 38.843 21.509 1.00 0.00 C ATOM 134 CD1 LEU A 8 30.026 39.347 22.868 1.00 0.00 C ATOM 135 CD2 LEU A 8 30.213 37.506 21.178 1.00 0.00 C ATOM 0 H LEU A 8 29.164 38.235 19.379 1.00 0.00 H new ATOM 0 HA LEU A 8 26.378 38.555 20.104 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.550 39.284 22.321 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.748 37.618 21.816 1.00 0.00 H new ATOM 0 HG LEU A 8 29.761 39.577 20.739 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.107 39.481 22.829 1.00 0.00 H new ATOM 0 HD12 LEU A 8 29.551 40.300 23.101 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.778 38.619 23.640 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.293 37.651 21.151 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.965 36.769 21.942 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.870 37.150 20.206 1.00 0.00 H new ATOM 147 N THR A 9 28.257 41.130 19.431 1.00 0.00 N ATOM 148 CA THR A 9 28.236 42.578 19.257 1.00 0.00 C ATOM 149 C THR A 9 27.191 42.977 18.219 1.00 0.00 C ATOM 150 O THR A 9 27.110 44.138 17.822 1.00 0.00 O ATOM 151 CB THR A 9 29.614 43.081 18.818 1.00 0.00 C ATOM 152 OG1 THR A 9 30.042 42.352 17.677 1.00 0.00 O ATOM 153 CG2 THR A 9 30.617 42.890 19.957 1.00 0.00 C ATOM 0 H THR A 9 29.081 40.664 19.051 1.00 0.00 H new ATOM 0 HA THR A 9 27.977 43.032 20.213 1.00 0.00 H new ATOM 0 HB THR A 9 29.551 44.140 18.568 1.00 0.00 H new ATOM 0 HG1 THR A 9 30.923 42.674 17.394 1.00 0.00 H new ATOM 0 HG21 THR A 9 31.597 43.249 19.643 1.00 0.00 H new ATOM 0 HG22 THR A 9 30.288 43.453 20.830 1.00 0.00 H new ATOM 0 HG23 THR A 9 30.682 41.832 20.211 1.00 0.00 H new ATOM 161 N GLY A 10 26.397 42.005 17.780 1.00 0.00 N ATOM 162 CA GLY A 10 25.363 42.269 16.787 1.00 0.00 C ATOM 163 C GLY A 10 25.965 42.378 15.391 1.00 0.00 C ATOM 164 O GLY A 10 25.286 42.767 14.442 1.00 0.00 O ATOM 0 H GLY A 10 26.449 41.036 18.093 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.622 41.470 16.806 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.842 43.193 17.036 1.00 0.00 H new ATOM 168 N LYS A 11 27.237 42.004 15.266 1.00 0.00 N ATOM 169 CA LYS A 11 27.912 42.030 13.971 1.00 0.00 C ATOM 170 C LYS A 11 27.771 40.672 13.298 1.00 0.00 C ATOM 171 O LYS A 11 27.708 39.644 13.973 1.00 0.00 O ATOM 172 CB LYS A 11 29.394 42.373 14.147 1.00 0.00 C ATOM 173 CG LYS A 11 29.536 43.848 14.539 1.00 0.00 C ATOM 174 CD LYS A 11 31.019 44.200 14.691 1.00 0.00 C ATOM 175 CE LYS A 11 31.163 45.693 14.993 1.00 0.00 C ATOM 176 NZ LYS A 11 30.657 45.975 16.365 1.00 0.00 N ATOM 0 H LYS A 11 27.817 41.681 16.040 1.00 0.00 H new ATOM 0 HA LYS A 11 27.451 42.795 13.347 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.836 41.738 14.915 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.935 42.178 13.221 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.078 44.482 13.780 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.009 44.038 15.474 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.462 43.612 15.494 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.558 43.950 13.777 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.208 45.992 14.911 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.606 46.278 14.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.937 46.936 16.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.620 45.899 16.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.061 45.287 17.032 1.00 0.00 H new ATOM 190 N THR A 12 27.720 40.668 11.971 1.00 0.00 N ATOM 191 CA THR A 12 27.585 39.422 11.215 1.00 0.00 C ATOM 192 C THR A 12 28.734 39.273 10.227 1.00 0.00 C ATOM 193 O THR A 12 28.968 40.153 9.400 1.00 0.00 O ATOM 194 CB THR A 12 26.261 39.430 10.452 1.00 0.00 C ATOM 195 OG1 THR A 12 25.185 39.441 11.380 1.00 0.00 O ATOM 196 CG2 THR A 12 26.167 38.180 9.570 1.00 0.00 C ATOM 0 H THR A 12 27.770 41.509 11.395 1.00 0.00 H new ATOM 0 HA THR A 12 27.607 38.584 11.912 1.00 0.00 H new ATOM 0 HB THR A 12 26.209 40.318 9.822 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.334 39.448 10.894 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.222 38.188 9.027 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.994 38.173 8.860 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.218 37.289 10.195 1.00 0.00 H new ATOM 204 N ILE A 13 29.448 38.150 10.306 1.00 0.00 N ATOM 205 CA ILE A 13 30.570 37.893 9.397 1.00 0.00 C ATOM 206 C ILE A 13 30.458 36.488 8.821 1.00 0.00 C ATOM 207 O ILE A 13 30.234 35.519 9.548 1.00 0.00 O ATOM 208 CB ILE A 13 31.895 38.031 10.146 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.065 37.934 9.154 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.005 36.914 11.186 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.388 37.863 9.920 1.00 0.00 C ATOM 0 H ILE A 13 29.273 37.408 10.984 1.00 0.00 H new ATOM 0 HA ILE A 13 30.538 38.621 8.587 1.00 0.00 H new ATOM 0 HB ILE A 13 31.932 38.999 10.646 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.950 37.050 8.526 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.064 38.799 8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.949 37.008 11.723 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.177 36.991 11.891 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.967 35.946 10.686 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.215 37.794 9.213 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.505 38.760 10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.388 36.984 10.565 1.00 0.00 H new ATOM 223 N THR A 14 30.585 36.392 7.508 1.00 0.00 N ATOM 224 CA THR A 14 30.472 35.107 6.824 1.00 0.00 C ATOM 225 C THR A 14 31.791 34.339 6.874 1.00 0.00 C ATOM 226 O THR A 14 32.874 34.924 6.858 1.00 0.00 O ATOM 227 CB THR A 14 30.049 35.329 5.368 1.00 0.00 C ATOM 228 OG1 THR A 14 28.918 36.188 5.339 1.00 0.00 O ATOM 229 CG2 THR A 14 29.683 33.986 4.722 1.00 0.00 C ATOM 0 H THR A 14 30.766 37.185 6.892 1.00 0.00 H new ATOM 0 HA THR A 14 29.715 34.513 7.335 1.00 0.00 H new ATOM 0 HB THR A 14 30.873 35.780 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.100 35.655 5.428 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.383 34.150 3.687 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.547 33.322 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.859 33.531 5.271 1.00 0.00 H new ATOM 237 N LEU A 15 31.666 33.016 6.954 1.00 0.00 N ATOM 238 CA LEU A 15 32.815 32.117 7.030 1.00 0.00 C ATOM 239 C LEU A 15 32.791 31.113 5.872 1.00 0.00 C ATOM 240 O LEU A 15 31.778 30.457 5.626 1.00 0.00 O ATOM 241 CB LEU A 15 32.755 31.360 8.381 1.00 0.00 C ATOM 242 CG LEU A 15 34.117 31.375 9.096 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.323 32.728 9.779 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.143 30.267 10.156 1.00 0.00 C ATOM 0 H LEU A 15 30.765 32.537 6.968 1.00 0.00 H new ATOM 0 HA LEU A 15 33.736 32.695 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.001 31.817 9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.445 30.329 8.208 1.00 0.00 H new ATOM 0 HG LEU A 15 34.911 31.210 8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.288 32.737 10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.298 33.521 9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.530 32.892 10.508 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.107 30.274 10.666 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.348 30.439 10.881 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.993 29.300 9.675 1.00 0.00 H new ATOM 256 N GLU A 16 33.922 30.979 5.192 1.00 0.00 N ATOM 257 CA GLU A 16 34.037 30.021 4.089 1.00 0.00 C ATOM 258 C GLU A 16 34.691 28.751 4.613 1.00 0.00 C ATOM 259 O GLU A 16 35.785 28.802 5.180 1.00 0.00 O ATOM 260 CB GLU A 16 34.879 30.608 2.953 1.00 0.00 C ATOM 261 CG GLU A 16 34.948 29.603 1.800 1.00 0.00 C ATOM 262 CD GLU A 16 35.609 30.248 0.587 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.913 31.427 0.661 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.801 29.555 -0.398 1.00 0.00 O ATOM 0 H GLU A 16 34.770 31.515 5.379 1.00 0.00 H new ATOM 0 HA GLU A 16 33.044 29.798 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.442 31.545 2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.883 30.838 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.512 28.723 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.945 29.264 1.541 1.00 0.00 H new ATOM 271 N VAL A 17 34.031 27.609 4.425 1.00 0.00 N ATOM 272 CA VAL A 17 34.583 26.336 4.900 1.00 0.00 C ATOM 273 C VAL A 17 34.043 25.175 4.078 1.00 0.00 C ATOM 274 O VAL A 17 33.197 25.338 3.207 1.00 0.00 O ATOM 275 CB VAL A 17 34.244 26.132 6.391 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.726 26.049 6.595 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.887 24.854 6.940 1.00 0.00 C ATOM 0 H VAL A 17 33.128 27.536 3.956 1.00 0.00 H new ATOM 0 HA VAL A 17 35.666 26.367 4.783 1.00 0.00 H new ATOM 0 HB VAL A 17 34.642 26.991 6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.508 25.905 7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.262 26.973 6.252 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.328 25.209 6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.629 24.740 7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.520 23.993 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.970 24.919 6.837 1.00 0.00 H new ATOM 287 N GLU A 18 34.542 23.999 4.394 1.00 0.00 N ATOM 288 CA GLU A 18 34.119 22.759 3.727 1.00 0.00 C ATOM 289 C GLU A 18 33.137 22.007 4.633 1.00 0.00 C ATOM 290 O GLU A 18 33.334 21.972 5.847 1.00 0.00 O ATOM 291 CB GLU A 18 35.332 21.871 3.441 1.00 0.00 C ATOM 292 CG GLU A 18 36.244 22.565 2.428 1.00 0.00 C ATOM 293 CD GLU A 18 37.381 21.633 2.025 1.00 0.00 C ATOM 294 OE1 GLU A 18 37.477 20.564 2.605 1.00 0.00 O ATOM 295 OE2 GLU A 18 38.138 22.000 1.142 1.00 0.00 O ATOM 0 H GLU A 18 35.250 23.862 5.116 1.00 0.00 H new ATOM 0 HA GLU A 18 33.635 23.009 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.878 21.675 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 18 35.006 20.906 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.670 22.853 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.649 23.481 2.859 1.00 0.00 H new ATOM 302 N PRO A 19 32.090 21.414 4.102 1.00 0.00 N ATOM 303 CA PRO A 19 31.095 20.685 4.945 1.00 0.00 C ATOM 304 C PRO A 19 31.691 19.433 5.589 1.00 0.00 C ATOM 305 O PRO A 19 31.035 18.762 6.384 1.00 0.00 O ATOM 306 CB PRO A 19 29.968 20.330 3.961 1.00 0.00 C ATOM 307 CG PRO A 19 30.627 20.300 2.618 1.00 0.00 C ATOM 308 CD PRO A 19 31.734 21.356 2.670 1.00 0.00 C ATOM 0 HA PRO A 19 30.749 21.288 5.785 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.521 19.366 4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.168 21.070 3.992 1.00 0.00 H new ATOM 0 HG2 PRO A 19 31.038 19.313 2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.911 20.523 1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 19 32.588 21.072 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.385 22.322 2.304 1.00 0.00 H new ATOM 316 N SER A 20 32.937 19.125 5.242 1.00 0.00 N ATOM 317 CA SER A 20 33.615 17.954 5.794 1.00 0.00 C ATOM 318 C SER A 20 34.526 18.364 6.945 1.00 0.00 C ATOM 319 O SER A 20 34.816 17.560 7.833 1.00 0.00 O ATOM 320 CB SER A 20 34.426 17.262 4.698 1.00 0.00 C ATOM 321 OG SER A 20 35.400 18.163 4.190 1.00 0.00 O ATOM 0 H SER A 20 33.497 19.667 4.584 1.00 0.00 H new ATOM 0 HA SER A 20 32.867 17.259 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.912 16.372 5.097 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.766 16.932 3.895 1.00 0.00 H new ATOM 0 HG SER A 20 35.921 17.720 3.489 1.00 0.00 H new ATOM 327 N ASP A 21 34.996 19.611 6.914 1.00 0.00 N ATOM 328 CA ASP A 21 35.879 20.109 7.950 1.00 0.00 C ATOM 329 C ASP A 21 35.271 19.855 9.325 1.00 0.00 C ATOM 330 O ASP A 21 34.044 19.798 9.480 1.00 0.00 O ATOM 331 CB ASP A 21 36.085 21.611 7.751 1.00 0.00 C ATOM 332 CG ASP A 21 37.097 21.870 6.640 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.454 20.923 5.958 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.505 23.011 6.489 1.00 0.00 O ATOM 0 H ASP A 21 34.777 20.287 6.182 1.00 0.00 H new ATOM 0 HA ASP A 21 36.836 19.591 7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.135 22.084 7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.433 22.062 8.680 1.00 0.00 H new ATOM 339 N THR A 22 36.137 19.709 10.321 1.00 0.00 N ATOM 340 CA THR A 22 35.685 19.474 11.684 1.00 0.00 C ATOM 341 C THR A 22 35.332 20.796 12.361 1.00 0.00 C ATOM 342 O THR A 22 35.467 21.877 11.775 1.00 0.00 O ATOM 343 CB THR A 22 36.765 18.749 12.487 1.00 0.00 C ATOM 344 OG1 THR A 22 37.918 19.570 12.580 1.00 0.00 O ATOM 345 CG2 THR A 22 37.121 17.435 11.790 1.00 0.00 C ATOM 0 H THR A 22 37.150 19.749 10.210 1.00 0.00 H new ATOM 0 HA THR A 22 34.794 18.847 11.648 1.00 0.00 H new ATOM 0 HB THR A 22 36.394 18.537 13.490 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.609 19.106 13.096 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.891 16.917 12.362 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.233 16.806 11.724 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.493 17.644 10.787 1.00 0.00 H new ATOM 353 N ILE A 23 34.904 20.710 13.610 1.00 0.00 N ATOM 354 CA ILE A 23 34.567 21.919 14.353 1.00 0.00 C ATOM 355 C ILE A 23 35.843 22.648 14.753 1.00 0.00 C ATOM 356 O ILE A 23 35.979 23.848 14.525 1.00 0.00 O ATOM 357 CB ILE A 23 33.738 21.569 15.593 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.658 20.548 15.220 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.066 22.830 16.140 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.919 20.995 13.955 1.00 0.00 C ATOM 0 H ILE A 23 34.783 19.837 14.124 1.00 0.00 H new ATOM 0 HA ILE A 23 33.970 22.573 13.717 1.00 0.00 H new ATOM 0 HB ILE A 23 34.396 21.147 16.352 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.112 19.571 15.058 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.951 20.439 16.043 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.478 22.576 17.022 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.828 23.560 16.411 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.412 23.254 15.378 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.155 20.260 13.701 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.449 21.962 14.131 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.627 21.081 13.131 1.00 0.00 H new ATOM 372 N GLU A 24 36.792 21.913 15.328 1.00 0.00 N ATOM 373 CA GLU A 24 38.063 22.508 15.731 1.00 0.00 C ATOM 374 C GLU A 24 38.573 23.430 14.630 1.00 0.00 C ATOM 375 O GLU A 24 39.305 24.386 14.889 1.00 0.00 O ATOM 376 CB GLU A 24 39.100 21.416 16.002 1.00 0.00 C ATOM 377 CG GLU A 24 38.469 20.298 16.835 1.00 0.00 C ATOM 378 CD GLU A 24 37.857 20.877 18.106 1.00 0.00 C ATOM 379 OE1 GLU A 24 36.708 21.282 18.056 1.00 0.00 O ATOM 380 OE2 GLU A 24 38.547 20.904 19.111 1.00 0.00 O ATOM 0 H GLU A 24 36.707 20.916 15.524 1.00 0.00 H new ATOM 0 HA GLU A 24 37.905 23.082 16.644 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.473 21.014 15.060 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.956 21.837 16.530 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.702 19.787 16.252 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.223 19.554 17.091 1.00 0.00 H new ATOM 387 N ASN A 25 38.153 23.147 13.401 1.00 0.00 N ATOM 388 CA ASN A 25 38.550 23.969 12.267 1.00 0.00 C ATOM 389 C ASN A 25 37.789 25.284 12.310 1.00 0.00 C ATOM 390 O ASN A 25 38.383 26.355 12.441 1.00 0.00 O ATOM 391 CB ASN A 25 38.261 23.248 10.949 1.00 0.00 C ATOM 392 CG ASN A 25 38.916 24.000 9.794 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.333 25.148 9.955 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.033 23.418 8.632 1.00 0.00 N ATOM 0 H ASN A 25 37.544 22.363 13.168 1.00 0.00 H new ATOM 0 HA ASN A 25 39.622 24.159 12.327 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.640 22.227 10.992 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.185 23.182 10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.470 23.914 7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.687 22.467 8.501 1.00 0.00 H new ATOM 401 N VAL A 26 36.464 25.199 12.192 1.00 0.00 N ATOM 402 CA VAL A 26 35.630 26.399 12.221 1.00 0.00 C ATOM 403 C VAL A 26 36.031 27.293 13.383 1.00 0.00 C ATOM 404 O VAL A 26 35.895 28.518 13.326 1.00 0.00 O ATOM 405 CB VAL A 26 34.164 26.005 12.360 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.288 27.257 12.367 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.782 25.124 11.184 1.00 0.00 C ATOM 0 H VAL A 26 35.951 24.325 12.077 1.00 0.00 H new ATOM 0 HA VAL A 26 35.772 26.947 11.289 1.00 0.00 H new ATOM 0 HB VAL A 26 34.015 25.465 13.295 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.242 26.968 12.467 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.570 27.894 13.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.426 27.803 11.434 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.735 24.835 11.271 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.931 25.673 10.254 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.406 24.230 11.181 1.00 0.00 H new ATOM 417 N LYS A 27 36.547 26.667 14.426 1.00 0.00 N ATOM 418 CA LYS A 27 36.989 27.399 15.599 1.00 0.00 C ATOM 419 C LYS A 27 38.269 28.148 15.278 1.00 0.00 C ATOM 420 O LYS A 27 38.383 29.347 15.524 1.00 0.00 O ATOM 421 CB LYS A 27 37.243 26.427 16.751 1.00 0.00 C ATOM 422 CG LYS A 27 35.925 25.770 17.171 1.00 0.00 C ATOM 423 CD LYS A 27 36.109 25.027 18.507 1.00 0.00 C ATOM 424 CE LYS A 27 35.894 25.996 19.673 1.00 0.00 C ATOM 425 NZ LYS A 27 36.090 25.277 20.959 1.00 0.00 N ATOM 0 H LYS A 27 36.670 25.656 14.485 1.00 0.00 H new ATOM 0 HA LYS A 27 36.215 28.109 15.891 1.00 0.00 H new ATOM 0 HB2 LYS A 27 37.959 25.665 16.445 1.00 0.00 H new ATOM 0 HB3 LYS A 27 37.682 26.957 17.596 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.147 26.527 17.271 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.595 25.073 16.401 1.00 0.00 H new ATOM 0 HD2 LYS A 27 35.402 24.200 18.574 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.109 24.596 18.560 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.593 26.830 19.600 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.890 26.417 19.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 36.146 25.965 21.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.289 24.634 21.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.972 24.728 20.919 1.00 0.00 H new ATOM 439 N ALA A 28 39.228 27.422 14.725 1.00 0.00 N ATOM 440 CA ALA A 28 40.509 28.006 14.367 1.00 0.00 C ATOM 441 C ALA A 28 40.309 29.236 13.481 1.00 0.00 C ATOM 442 O ALA A 28 41.056 30.208 13.582 1.00 0.00 O ATOM 443 CB ALA A 28 41.345 26.958 13.627 1.00 0.00 C ATOM 0 H ALA A 28 39.143 26.428 14.515 1.00 0.00 H new ATOM 0 HA ALA A 28 41.027 28.319 15.273 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.309 27.388 13.354 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.503 26.095 14.274 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.820 26.644 12.725 1.00 0.00 H new ATOM 449 N LYS A 29 39.290 29.188 12.628 1.00 0.00 N ATOM 450 CA LYS A 29 39.006 30.318 11.751 1.00 0.00 C ATOM 451 C LYS A 29 38.575 31.527 12.584 1.00 0.00 C ATOM 452 O LYS A 29 39.255 32.554 12.605 1.00 0.00 O ATOM 453 CB LYS A 29 37.912 29.946 10.743 1.00 0.00 C ATOM 454 CG LYS A 29 38.541 29.196 9.560 1.00 0.00 C ATOM 455 CD LYS A 29 37.463 28.426 8.808 1.00 0.00 C ATOM 456 CE LYS A 29 38.110 27.578 7.710 1.00 0.00 C ATOM 457 NZ LYS A 29 39.030 28.429 6.902 1.00 0.00 N ATOM 0 H LYS A 29 38.658 28.394 12.526 1.00 0.00 H new ATOM 0 HA LYS A 29 39.910 30.575 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.157 29.323 11.223 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.406 30.845 10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.032 29.901 8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.308 28.510 9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.910 27.787 9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.745 29.119 8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.660 26.748 8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.341 27.145 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.071 28.068 5.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.680 29.408 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.982 28.405 7.320 1.00 0.00 H new ATOM 471 N ILE A 30 37.434 31.401 13.255 1.00 0.00 N ATOM 472 CA ILE A 30 36.909 32.480 14.071 1.00 0.00 C ATOM 473 C ILE A 30 37.977 33.008 15.036 1.00 0.00 C ATOM 474 O ILE A 30 38.082 34.214 15.249 1.00 0.00 O ATOM 475 CB ILE A 30 35.694 31.958 14.847 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.511 31.782 13.888 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.307 32.949 15.942 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.417 30.963 14.575 1.00 0.00 C ATOM 0 H ILE A 30 36.858 30.559 13.247 1.00 0.00 H new ATOM 0 HA ILE A 30 36.611 33.309 13.429 1.00 0.00 H new ATOM 0 HB ILE A 30 35.949 31.000 15.301 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.120 32.756 13.593 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.838 31.280 12.977 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.443 32.569 16.488 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.143 33.076 16.630 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.058 33.910 15.492 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.575 30.837 13.894 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.812 29.985 14.848 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.083 31.483 15.473 1.00 0.00 H new ATOM 490 N GLN A 31 38.756 32.104 15.618 1.00 0.00 N ATOM 491 CA GLN A 31 39.799 32.509 16.559 1.00 0.00 C ATOM 492 C GLN A 31 40.766 33.484 15.895 1.00 0.00 C ATOM 493 O GLN A 31 40.923 34.622 16.334 1.00 0.00 O ATOM 494 CB GLN A 31 40.572 31.280 17.049 1.00 0.00 C ATOM 495 CG GLN A 31 41.690 31.722 17.999 1.00 0.00 C ATOM 496 CD GLN A 31 42.322 30.506 18.666 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.059 29.371 18.268 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.145 30.675 19.666 1.00 0.00 N ATOM 0 H GLN A 31 38.689 31.099 15.460 1.00 0.00 H new ATOM 0 HA GLN A 31 39.324 33.001 17.408 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.897 30.593 17.560 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.994 30.741 16.201 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.448 32.279 17.447 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.289 32.395 18.757 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.362 31.616 19.995 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.571 29.866 20.118 1.00 0.00 H new ATOM 507 N ASP A 32 41.423 33.008 14.852 1.00 0.00 N ATOM 508 CA ASP A 32 42.401 33.822 14.138 1.00 0.00 C ATOM 509 C ASP A 32 41.845 35.206 13.788 1.00 0.00 C ATOM 510 O ASP A 32 42.581 36.193 13.804 1.00 0.00 O ATOM 511 CB ASP A 32 42.846 33.103 12.862 1.00 0.00 C ATOM 512 CG ASP A 32 44.099 33.768 12.301 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.955 34.709 11.537 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.184 33.326 12.643 1.00 0.00 O ATOM 0 H ASP A 32 41.301 32.067 14.479 1.00 0.00 H new ATOM 0 HA ASP A 32 43.257 33.965 14.798 1.00 0.00 H new ATOM 0 HB2 ASP A 32 43.046 32.053 13.077 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.047 33.130 12.121 1.00 0.00 H new ATOM 519 N LYS A 33 40.558 35.280 13.449 1.00 0.00 N ATOM 520 CA LYS A 33 39.949 36.562 13.071 1.00 0.00 C ATOM 521 C LYS A 33 39.532 37.418 14.275 1.00 0.00 C ATOM 522 O LYS A 33 39.662 38.641 14.234 1.00 0.00 O ATOM 523 CB LYS A 33 38.721 36.324 12.198 1.00 0.00 C ATOM 524 CG LYS A 33 39.090 35.461 10.989 1.00 0.00 C ATOM 525 CD LYS A 33 37.808 35.020 10.275 1.00 0.00 C ATOM 526 CE LYS A 33 38.159 34.132 9.080 1.00 0.00 C ATOM 527 NZ LYS A 33 36.905 33.696 8.400 1.00 0.00 N ATOM 0 H LYS A 33 39.922 34.483 13.427 1.00 0.00 H new ATOM 0 HA LYS A 33 40.718 37.109 12.526 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.942 35.832 12.780 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.314 37.278 11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.726 36.024 10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.660 34.589 11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.164 34.477 10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.249 35.893 9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.793 34.678 8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.726 33.263 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.038 33.735 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.677 32.722 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 36.125 34.327 8.673 1.00 0.00 H new ATOM 541 N GLU A 34 38.987 36.794 15.328 1.00 0.00 N ATOM 542 CA GLU A 34 38.512 37.551 16.501 1.00 0.00 C ATOM 543 C GLU A 34 39.434 37.413 17.714 1.00 0.00 C ATOM 544 O GLU A 34 39.138 37.959 18.776 1.00 0.00 O ATOM 545 CB GLU A 34 37.110 37.069 16.889 1.00 0.00 C ATOM 546 CG GLU A 34 36.173 37.164 15.687 1.00 0.00 C ATOM 547 CD GLU A 34 34.747 36.829 16.113 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.568 36.433 17.255 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.855 36.972 15.294 1.00 0.00 O ATOM 0 H GLU A 34 38.864 35.784 15.395 1.00 0.00 H new ATOM 0 HA GLU A 34 38.501 38.602 16.214 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.156 36.039 17.244 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.723 37.673 17.710 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.209 38.168 15.265 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.499 36.478 14.905 1.00 0.00 H new ATOM 556 N GLY A 35 40.564 36.740 17.561 1.00 0.00 N ATOM 557 CA GLY A 35 41.506 36.604 18.668 1.00 0.00 C ATOM 558 C GLY A 35 40.883 35.947 19.905 1.00 0.00 C ATOM 559 O GLY A 35 41.417 36.071 21.007 1.00 0.00 O ATOM 0 H GLY A 35 40.851 36.284 16.695 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.361 36.012 18.340 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.885 37.589 18.939 1.00 0.00 H new ATOM 563 N ILE A 36 39.761 35.245 19.727 1.00 0.00 N ATOM 564 CA ILE A 36 39.097 34.575 20.843 1.00 0.00 C ATOM 565 C ILE A 36 39.548 33.106 20.940 1.00 0.00 C ATOM 566 O ILE A 36 39.291 32.330 20.019 1.00 0.00 O ATOM 567 CB ILE A 36 37.594 34.625 20.617 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.198 36.075 20.353 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.873 34.115 21.863 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.685 36.193 20.267 1.00 0.00 C ATOM 0 H ILE A 36 39.297 35.127 18.826 1.00 0.00 H new ATOM 0 HA ILE A 36 39.361 35.081 21.772 1.00 0.00 H new ATOM 0 HB ILE A 36 37.319 33.999 19.768 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.576 36.715 21.150 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.651 36.421 19.424 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.796 34.151 21.700 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.176 33.087 22.063 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.132 34.742 22.716 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.411 37.231 20.078 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.317 35.567 19.454 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.241 35.865 21.207 1.00 0.00 H new ATOM 582 N PRO A 37 40.193 32.690 22.017 1.00 0.00 N ATOM 583 CA PRO A 37 40.641 31.267 22.173 1.00 0.00 C ATOM 584 C PRO A 37 39.536 30.273 21.784 1.00 0.00 C ATOM 585 O PRO A 37 38.359 30.632 21.754 1.00 0.00 O ATOM 586 CB PRO A 37 40.982 31.168 23.667 1.00 0.00 C ATOM 587 CG PRO A 37 41.399 32.548 24.056 1.00 0.00 C ATOM 588 CD PRO A 37 40.572 33.506 23.190 1.00 0.00 C ATOM 0 HA PRO A 37 41.480 31.017 21.524 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.121 30.836 24.248 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.782 30.449 23.843 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.216 32.725 25.116 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.466 32.694 23.888 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.694 33.870 23.724 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.152 34.381 22.897 1.00 0.00 H new ATOM 596 N PRO A 38 39.887 29.043 21.479 1.00 0.00 N ATOM 597 CA PRO A 38 38.894 27.998 21.077 1.00 0.00 C ATOM 598 C PRO A 38 38.049 27.497 22.250 1.00 0.00 C ATOM 599 O PRO A 38 36.821 27.489 22.178 1.00 0.00 O ATOM 600 CB PRO A 38 39.770 26.879 20.499 1.00 0.00 C ATOM 601 CG PRO A 38 41.060 27.007 21.231 1.00 0.00 C ATOM 602 CD PRO A 38 41.260 28.504 21.482 1.00 0.00 C ATOM 0 HA PRO A 38 38.160 28.384 20.369 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.319 25.899 20.656 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.909 26.997 19.424 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.031 26.455 22.170 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.883 26.597 20.645 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.761 28.688 22.433 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.872 28.962 20.705 1.00 0.00 H new ATOM 610 N ASP A 39 38.710 27.073 23.322 1.00 0.00 N ATOM 611 CA ASP A 39 37.996 26.567 24.491 1.00 0.00 C ATOM 612 C ASP A 39 37.076 27.634 25.071 1.00 0.00 C ATOM 613 O ASP A 39 36.131 27.323 25.797 1.00 0.00 O ATOM 614 CB ASP A 39 38.992 26.118 25.563 1.00 0.00 C ATOM 615 CG ASP A 39 38.243 25.558 26.768 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.270 24.852 26.561 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.655 25.843 27.881 1.00 0.00 O ATOM 0 H ASP A 39 39.726 27.069 23.407 1.00 0.00 H new ATOM 0 HA ASP A 39 37.392 25.717 24.175 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.661 25.360 25.155 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.613 26.960 25.869 1.00 0.00 H new ATOM 622 N GLN A 40 37.367 28.891 24.765 1.00 0.00 N ATOM 623 CA GLN A 40 36.568 29.998 25.287 1.00 0.00 C ATOM 624 C GLN A 40 35.298 30.205 24.473 1.00 0.00 C ATOM 625 O GLN A 40 34.370 30.869 24.932 1.00 0.00 O ATOM 626 CB GLN A 40 37.387 31.290 25.270 1.00 0.00 C ATOM 627 CG GLN A 40 38.493 31.205 26.321 1.00 0.00 C ATOM 628 CD GLN A 40 37.903 31.384 27.716 1.00 0.00 C ATOM 629 OE1 GLN A 40 37.273 32.403 28.000 1.00 0.00 O ATOM 630 NE2 GLN A 40 38.069 30.447 28.610 1.00 0.00 N ATOM 0 H GLN A 40 38.142 29.171 24.164 1.00 0.00 H new ATOM 0 HA GLN A 40 36.287 29.745 26.309 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.820 31.446 24.282 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.742 32.145 25.473 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.998 30.242 26.252 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.244 31.973 26.134 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.591 29.603 28.374 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.677 30.559 29.545 1.00 0.00 H new ATOM 639 N GLN A 41 35.253 29.648 23.264 1.00 0.00 N ATOM 640 CA GLN A 41 34.083 29.799 22.397 1.00 0.00 C ATOM 641 C GLN A 41 33.126 28.616 22.523 1.00 0.00 C ATOM 642 O GLN A 41 33.549 27.459 22.545 1.00 0.00 O ATOM 643 CB GLN A 41 34.538 29.925 20.941 1.00 0.00 C ATOM 644 CG GLN A 41 35.326 31.224 20.763 1.00 0.00 C ATOM 645 CD GLN A 41 35.985 31.248 19.388 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.259 31.048 18.323 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 37.194 31.455 19.283 1.00 0.00 N flip ATOM 0 H GLN A 41 36.008 29.091 22.863 1.00 0.00 H new ATOM 0 HA GLN A 41 33.552 30.698 22.710 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.158 29.071 20.667 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.674 29.918 20.277 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.661 32.081 20.872 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.085 31.309 21.541 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.759 31.611 20.118 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.631 31.470 18.361 1.00 0.00 H new ATOM 656 N ARG A 42 31.828 28.926 22.571 1.00 0.00 N ATOM 657 CA ARG A 42 30.780 27.919 22.660 1.00 0.00 C ATOM 658 C ARG A 42 29.913 28.040 21.415 1.00 0.00 C ATOM 659 O ARG A 42 29.306 29.085 21.177 1.00 0.00 O ATOM 660 CB ARG A 42 29.922 28.163 23.908 1.00 0.00 C ATOM 661 CG ARG A 42 30.793 28.067 25.183 1.00 0.00 C ATOM 662 CD ARG A 42 29.969 27.488 26.336 1.00 0.00 C ATOM 663 NE ARG A 42 28.810 28.333 26.608 1.00 0.00 N ATOM 664 CZ ARG A 42 27.835 27.927 27.418 1.00 0.00 C ATOM 665 NH1 ARG A 42 26.813 28.705 27.651 1.00 0.00 N ATOM 666 NH2 ARG A 42 27.898 26.749 27.978 1.00 0.00 N ATOM 0 H ARG A 42 31.479 29.884 22.549 1.00 0.00 H new ATOM 0 HA ARG A 42 31.218 26.923 22.730 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.456 29.146 23.851 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.116 27.430 23.953 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.662 27.437 24.993 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.168 29.054 25.453 1.00 0.00 H new ATOM 0 HD2 ARG A 42 29.641 26.479 26.086 1.00 0.00 H new ATOM 0 HD3 ARG A 42 30.588 27.410 27.230 1.00 0.00 H new ATOM 0 HE ARG A 42 28.746 29.252 26.169 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.761 29.624 27.212 1.00 0.00 H new ATOM 0 HH12 ARG A 42 26.066 28.394 28.272 1.00 0.00 H new ATOM 0 HH21 ARG A 42 28.695 26.139 27.795 1.00 0.00 H new ATOM 0 HH22 ARG A 42 27.150 26.439 28.599 1.00 0.00 H new ATOM 680 N LEU A 43 29.871 26.994 20.598 1.00 0.00 N ATOM 681 CA LEU A 43 29.081 27.039 19.367 1.00 0.00 C ATOM 682 C LEU A 43 27.675 26.506 19.590 1.00 0.00 C ATOM 683 O LEU A 43 27.479 25.315 19.851 1.00 0.00 O ATOM 684 CB LEU A 43 29.758 26.213 18.282 1.00 0.00 C ATOM 685 CG LEU A 43 31.242 26.571 18.158 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.765 26.032 16.831 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.435 28.088 18.192 1.00 0.00 C ATOM 0 H LEU A 43 30.365 26.116 20.759 1.00 0.00 H new ATOM 0 HA LEU A 43 29.014 28.082 19.056 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.655 25.152 18.511 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.259 26.383 17.328 1.00 0.00 H new ATOM 0 HG LEU A 43 31.786 26.130 18.993 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.822 26.280 16.729 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.642 24.949 16.804 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.206 26.481 16.010 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.496 28.322 18.103 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.892 28.543 17.363 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.055 28.482 19.134 1.00 0.00 H new ATOM 699 N ILE A 44 26.701 27.405 19.480 1.00 0.00 N ATOM 700 CA ILE A 44 25.292 27.051 19.669 1.00 0.00 C ATOM 701 C ILE A 44 24.530 27.036 18.341 1.00 0.00 C ATOM 702 O ILE A 44 24.430 28.058 17.654 1.00 0.00 O ATOM 703 CB ILE A 44 24.620 28.062 20.604 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.487 28.290 21.852 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.241 27.544 21.024 1.00 0.00 C ATOM 706 CD1 ILE A 44 25.832 26.953 22.517 1.00 0.00 C ATOM 0 H ILE A 44 26.860 28.388 19.260 1.00 0.00 H new ATOM 0 HA ILE A 44 25.263 26.051 20.102 1.00 0.00 H new ATOM 0 HB ILE A 44 24.506 29.008 20.074 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.403 28.812 21.575 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.957 28.928 22.559 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.768 28.267 21.689 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.620 27.404 20.139 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.353 26.592 21.543 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.446 27.133 23.399 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.913 26.446 22.812 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.382 26.328 21.813 1.00 0.00 H new ATOM 718 N PHE A 45 23.973 25.873 17.999 1.00 0.00 N ATOM 719 CA PHE A 45 23.188 25.716 16.774 1.00 0.00 C ATOM 720 C PHE A 45 21.934 24.900 17.073 1.00 0.00 C ATOM 721 O PHE A 45 22.022 23.770 17.548 1.00 0.00 O ATOM 722 CB PHE A 45 24.013 24.996 15.709 1.00 0.00 C ATOM 723 CG PHE A 45 23.246 24.946 14.410 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.453 25.926 13.433 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.336 23.910 14.183 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.749 25.866 12.222 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.630 23.850 12.974 1.00 0.00 C ATOM 728 CZ PHE A 45 21.836 24.828 11.994 1.00 0.00 C ATOM 0 H PHE A 45 24.052 25.022 18.556 1.00 0.00 H new ATOM 0 HA PHE A 45 22.908 26.703 16.405 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.962 25.512 15.561 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.248 23.985 16.041 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.154 26.728 13.612 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.177 23.156 14.939 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.910 26.620 11.465 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.927 23.049 12.798 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.291 24.782 11.062 1.00 0.00 H new ATOM 738 N ALA A 46 20.772 25.482 16.803 1.00 0.00 N ATOM 739 CA ALA A 46 19.509 24.793 17.054 1.00 0.00 C ATOM 740 C ALA A 46 19.456 24.248 18.481 1.00 0.00 C ATOM 741 O ALA A 46 18.960 23.146 18.716 1.00 0.00 O ATOM 742 CB ALA A 46 19.339 23.645 16.059 1.00 0.00 C ATOM 0 H ALA A 46 20.676 26.420 16.414 1.00 0.00 H new ATOM 0 HA ALA A 46 18.698 25.510 16.929 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.395 23.134 16.251 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.338 24.041 15.043 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.163 22.940 16.173 1.00 0.00 H new ATOM 748 N GLY A 47 19.955 25.033 19.432 1.00 0.00 N ATOM 749 CA GLY A 47 19.945 24.628 20.836 1.00 0.00 C ATOM 750 C GLY A 47 20.825 23.402 21.092 1.00 0.00 C ATOM 751 O GLY A 47 20.692 22.749 22.126 1.00 0.00 O ATOM 0 H GLY A 47 20.369 25.949 19.258 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.291 25.457 21.454 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.922 24.409 21.142 1.00 0.00 H new ATOM 755 N LYS A 48 21.728 23.095 20.159 1.00 0.00 N ATOM 756 CA LYS A 48 22.631 21.945 20.310 1.00 0.00 C ATOM 757 C LYS A 48 24.085 22.391 20.219 1.00 0.00 C ATOM 758 O LYS A 48 24.483 23.020 19.238 1.00 0.00 O ATOM 759 CB LYS A 48 22.368 20.917 19.213 1.00 0.00 C ATOM 760 CG LYS A 48 20.926 20.411 19.301 1.00 0.00 C ATOM 761 CD LYS A 48 20.651 19.447 18.143 1.00 0.00 C ATOM 762 CE LYS A 48 19.152 19.158 18.067 1.00 0.00 C ATOM 763 NZ LYS A 48 18.723 18.434 19.297 1.00 0.00 N ATOM 0 H LYS A 48 21.856 23.621 19.295 1.00 0.00 H new ATOM 0 HA LYS A 48 22.445 21.500 21.287 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.546 21.364 18.235 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.061 20.082 19.313 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.764 19.907 20.254 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.232 21.250 19.262 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.997 19.881 17.205 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.204 18.519 18.289 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.596 20.090 17.968 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.930 18.559 17.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.750 18.089 19.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.358 17.628 19.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.762 19.080 20.111 1.00 0.00 H new ATOM 777 N GLN A 49 24.891 22.044 21.223 1.00 0.00 N ATOM 778 CA GLN A 49 26.298 22.401 21.204 1.00 0.00 C ATOM 779 C GLN A 49 27.059 21.473 20.271 1.00 0.00 C ATOM 780 O GLN A 49 26.894 20.254 20.325 1.00 0.00 O ATOM 781 CB GLN A 49 26.891 22.314 22.602 1.00 0.00 C ATOM 782 CG GLN A 49 26.347 23.457 23.461 1.00 0.00 C ATOM 783 CD GLN A 49 26.810 23.294 24.904 1.00 0.00 C ATOM 784 OE1 GLN A 49 26.595 22.245 25.511 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.439 24.275 25.490 1.00 0.00 N ATOM 0 H GLN A 49 24.593 21.523 22.047 1.00 0.00 H new ATOM 0 HA GLN A 49 26.386 23.427 20.846 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.642 21.354 23.055 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.978 22.369 22.551 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.690 24.414 23.067 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.258 23.467 23.419 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.615 25.143 24.984 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.755 24.174 26.455 1.00 0.00 H new ATOM 794 N LEU A 50 27.869 22.050 19.401 1.00 0.00 N ATOM 795 CA LEU A 50 28.620 21.250 18.443 1.00 0.00 C ATOM 796 C LEU A 50 29.718 20.452 19.144 1.00 0.00 C ATOM 797 O LEU A 50 30.400 20.960 20.035 1.00 0.00 O ATOM 798 CB LEU A 50 29.223 22.157 17.371 1.00 0.00 C ATOM 799 CG LEU A 50 28.122 22.623 16.406 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.029 23.379 17.170 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.726 23.548 15.351 1.00 0.00 C ATOM 0 H LEU A 50 28.024 23.056 19.336 1.00 0.00 H new ATOM 0 HA LEU A 50 27.939 20.543 17.970 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.700 23.019 17.837 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.998 21.622 16.822 1.00 0.00 H new ATOM 0 HG LEU A 50 27.683 21.748 15.927 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.256 23.703 16.473 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.589 22.722 17.921 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.464 24.250 17.660 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.945 23.878 14.667 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.171 24.415 15.839 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.494 23.012 14.793 1.00 0.00 H new ATOM 813 N GLU A 51 29.870 19.194 18.731 1.00 0.00 N ATOM 814 CA GLU A 51 30.865 18.306 19.310 1.00 0.00 C ATOM 815 C GLU A 51 32.282 18.739 18.930 1.00 0.00 C ATOM 816 O GLU A 51 32.552 19.062 17.773 1.00 0.00 O ATOM 817 CB GLU A 51 30.606 16.876 18.832 1.00 0.00 C ATOM 818 CG GLU A 51 31.258 15.886 19.789 1.00 0.00 C ATOM 819 CD GLU A 51 31.266 14.494 19.168 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.200 14.026 18.803 1.00 0.00 O ATOM 821 OE2 GLU A 51 32.337 13.917 19.063 1.00 0.00 O ATOM 0 H GLU A 51 29.310 18.769 17.992 1.00 0.00 H new ATOM 0 HA GLU A 51 30.783 18.352 20.396 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.533 16.690 18.777 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.005 16.741 17.827 1.00 0.00 H new ATOM 0 HG2 GLU A 51 32.278 16.200 20.012 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.715 15.869 20.734 1.00 0.00 H new ATOM 828 N ASP A 52 33.170 18.747 19.919 1.00 0.00 N ATOM 829 CA ASP A 52 34.546 19.157 19.712 1.00 0.00 C ATOM 830 C ASP A 52 35.297 18.274 18.708 1.00 0.00 C ATOM 831 O ASP A 52 36.521 18.361 18.622 1.00 0.00 O ATOM 832 CB ASP A 52 35.292 19.130 21.050 1.00 0.00 C ATOM 833 CG ASP A 52 36.619 19.868 20.919 1.00 0.00 C ATOM 834 OD1 ASP A 52 36.597 21.018 20.512 1.00 0.00 O ATOM 835 OD2 ASP A 52 37.639 19.273 21.230 1.00 0.00 O ATOM 0 H ASP A 52 32.954 18.471 20.877 1.00 0.00 H new ATOM 0 HA ASP A 52 34.514 20.164 19.297 1.00 0.00 H new ATOM 0 HB2 ASP A 52 34.683 19.594 21.825 1.00 0.00 H new ATOM 0 HB3 ASP A 52 35.468 18.099 21.357 1.00 0.00 H new ATOM 840 N GLY A 53 34.595 17.420 17.955 1.00 0.00 N ATOM 841 CA GLY A 53 35.296 16.555 16.995 1.00 0.00 C ATOM 842 C GLY A 53 34.399 16.029 15.872 1.00 0.00 C ATOM 843 O GLY A 53 34.698 14.986 15.287 1.00 0.00 O ATOM 0 H GLY A 53 33.582 17.309 17.986 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.124 17.111 16.556 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.728 15.709 17.530 1.00 0.00 H new ATOM 847 N ARG A 54 33.312 16.739 15.552 1.00 0.00 N ATOM 848 CA ARG A 54 32.411 16.294 14.470 1.00 0.00 C ATOM 849 C ARG A 54 32.580 17.158 13.218 1.00 0.00 C ATOM 850 O ARG A 54 33.251 18.193 13.240 1.00 0.00 O ATOM 851 CB ARG A 54 30.948 16.345 14.944 1.00 0.00 C ATOM 852 CG ARG A 54 30.620 15.106 15.802 1.00 0.00 C ATOM 853 CD ARG A 54 30.243 13.911 14.911 1.00 0.00 C ATOM 854 NE ARG A 54 29.702 12.828 15.726 1.00 0.00 N ATOM 855 CZ ARG A 54 30.471 12.153 16.574 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.957 11.195 17.295 1.00 0.00 N ATOM 857 NH2 ARG A 54 31.738 12.444 16.680 1.00 0.00 N ATOM 0 H ARG A 54 33.034 17.606 16.012 1.00 0.00 H new ATOM 0 HA ARG A 54 32.674 15.267 14.216 1.00 0.00 H new ATOM 0 HB2 ARG A 54 30.778 17.252 15.523 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.281 16.387 14.083 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.480 14.848 16.420 1.00 0.00 H new ATOM 0 HG3 ARG A 54 29.797 15.334 16.480 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.508 14.219 14.168 1.00 0.00 H new ATOM 0 HD3 ARG A 54 31.120 13.563 14.366 1.00 0.00 H new ATOM 0 HE ARG A 54 28.715 12.585 15.643 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.967 10.966 17.207 1.00 0.00 H new ATOM 0 HH12 ARG A 54 30.545 10.675 17.947 1.00 0.00 H new ATOM 0 HH21 ARG A 54 32.139 13.190 16.112 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.328 11.926 17.331 1.00 0.00 H new ATOM 871 N THR A 55 31.948 16.716 12.127 1.00 0.00 N ATOM 872 CA THR A 55 31.998 17.432 10.851 1.00 0.00 C ATOM 873 C THR A 55 30.690 18.175 10.614 1.00 0.00 C ATOM 874 O THR A 55 29.618 17.734 11.051 1.00 0.00 O ATOM 875 CB THR A 55 32.240 16.444 9.705 1.00 0.00 C ATOM 876 OG1 THR A 55 31.282 15.397 9.778 1.00 0.00 O ATOM 877 CG2 THR A 55 33.651 15.859 9.820 1.00 0.00 C ATOM 0 H THR A 55 31.393 15.861 12.103 1.00 0.00 H new ATOM 0 HA THR A 55 32.816 18.151 10.887 1.00 0.00 H new ATOM 0 HB THR A 55 32.143 16.961 8.751 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.433 14.764 9.045 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.821 15.157 9.004 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.384 16.664 9.765 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.753 15.340 10.773 1.00 0.00 H new ATOM 885 N LEU A 56 30.764 19.293 9.900 1.00 0.00 N ATOM 886 CA LEU A 56 29.561 20.046 9.608 1.00 0.00 C ATOM 887 C LEU A 56 28.564 19.141 8.895 1.00 0.00 C ATOM 888 O LEU A 56 27.360 19.266 9.094 1.00 0.00 O ATOM 889 CB LEU A 56 29.894 21.267 8.748 1.00 0.00 C ATOM 890 CG LEU A 56 30.471 22.388 9.627 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.801 21.938 10.242 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.705 23.625 8.761 1.00 0.00 C ATOM 0 H LEU A 56 31.626 19.687 9.522 1.00 0.00 H new ATOM 0 HA LEU A 56 29.119 20.401 10.539 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.613 20.993 7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.997 21.619 8.238 1.00 0.00 H new ATOM 0 HG LEU A 56 29.770 22.620 10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.204 22.738 10.863 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.637 21.051 10.854 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.509 21.705 9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.115 24.427 9.375 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.408 23.383 7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.760 23.948 8.325 1.00 0.00 H new ATOM 904 N SER A 57 29.061 18.242 8.039 1.00 0.00 N ATOM 905 CA SER A 57 28.186 17.340 7.292 1.00 0.00 C ATOM 906 C SER A 57 27.142 16.698 8.200 1.00 0.00 C ATOM 907 O SER A 57 25.972 16.565 7.820 1.00 0.00 O ATOM 908 CB SER A 57 29.020 16.246 6.625 1.00 0.00 C ATOM 909 OG SER A 57 28.159 15.373 5.905 1.00 0.00 O ATOM 0 H SER A 57 30.056 18.122 7.849 1.00 0.00 H new ATOM 0 HA SER A 57 27.667 17.927 6.535 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.752 16.691 5.951 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.577 15.687 7.377 1.00 0.00 H new ATOM 0 HG SER A 57 28.690 14.671 5.475 1.00 0.00 H new ATOM 915 N ASP A 58 27.554 16.330 9.409 1.00 0.00 N ATOM 916 CA ASP A 58 26.624 15.737 10.355 1.00 0.00 C ATOM 917 C ASP A 58 25.556 16.766 10.683 1.00 0.00 C ATOM 918 O ASP A 58 24.370 16.447 10.828 1.00 0.00 O ATOM 919 CB ASP A 58 27.358 15.313 11.632 1.00 0.00 C ATOM 920 CG ASP A 58 26.465 14.408 12.477 1.00 0.00 C ATOM 921 OD1 ASP A 58 25.568 14.927 13.119 1.00 0.00 O ATOM 922 OD2 ASP A 58 26.696 13.209 12.471 1.00 0.00 O ATOM 0 H ASP A 58 28.510 16.431 9.750 1.00 0.00 H new ATOM 0 HA ASP A 58 26.168 14.849 9.918 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.279 14.790 11.374 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.643 16.195 12.206 1.00 0.00 H new ATOM 927 N TYR A 59 26.000 18.016 10.783 1.00 0.00 N ATOM 928 CA TYR A 59 25.105 19.127 11.083 1.00 0.00 C ATOM 929 C TYR A 59 24.458 19.686 9.808 1.00 0.00 C ATOM 930 O TYR A 59 23.614 20.578 9.880 1.00 0.00 O ATOM 931 CB TYR A 59 25.899 20.231 11.784 1.00 0.00 C ATOM 932 CG TYR A 59 26.322 19.764 13.161 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.638 19.339 13.382 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.400 19.754 14.216 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.032 18.908 14.654 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.794 19.322 15.489 1.00 0.00 C ATOM 937 CZ TYR A 59 27.110 18.898 15.707 1.00 0.00 C ATOM 938 OH TYR A 59 27.500 18.473 16.961 1.00 0.00 O ATOM 0 H TYR A 59 26.976 18.284 10.660 1.00 0.00 H new ATOM 0 HA TYR A 59 24.307 18.764 11.731 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.777 20.491 11.193 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.291 21.132 11.866 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.350 19.344 12.570 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.384 20.080 14.048 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.048 18.583 14.823 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.083 19.316 16.302 1.00 0.00 H new ATOM 0 HH TYR A 59 26.740 18.530 17.577 1.00 0.00 H new ATOM 948 N ASN A 60 24.845 19.158 8.642 1.00 0.00 N ATOM 949 CA ASN A 60 24.273 19.630 7.375 1.00 0.00 C ATOM 950 C ASN A 60 22.938 18.948 7.114 1.00 0.00 C ATOM 951 O ASN A 60 22.008 19.566 6.601 1.00 0.00 O ATOM 952 CB ASN A 60 25.227 19.352 6.211 1.00 0.00 C ATOM 953 CG ASN A 60 24.644 19.916 4.916 1.00 0.00 C ATOM 954 OD1 ASN A 60 24.827 21.096 4.613 1.00 0.00 O ATOM 955 ND2 ASN A 60 23.943 19.141 4.133 1.00 0.00 N ATOM 0 H ASN A 60 25.539 18.417 8.548 1.00 0.00 H new ATOM 0 HA ASN A 60 24.120 20.706 7.453 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.199 19.804 6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.389 18.279 6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.546 19.512 3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.792 18.164 4.385 1.00 0.00 H new ATOM 962 N ILE A 61 22.842 17.674 7.473 1.00 0.00 N ATOM 963 CA ILE A 61 21.591 16.943 7.277 1.00 0.00 C ATOM 964 C ILE A 61 20.495 17.593 8.116 1.00 0.00 C ATOM 965 O ILE A 61 19.413 17.908 7.619 1.00 0.00 O ATOM 966 CB ILE A 61 21.770 15.479 7.694 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.755 14.802 6.740 1.00 0.00 C ATOM 968 CG2 ILE A 61 20.421 14.758 7.633 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.183 13.450 7.316 1.00 0.00 C ATOM 0 H ILE A 61 23.597 17.132 7.893 1.00 0.00 H new ATOM 0 HA ILE A 61 21.311 16.975 6.224 1.00 0.00 H new ATOM 0 HB ILE A 61 22.155 15.434 8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.292 14.662 5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.628 15.438 6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.551 13.717 7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.718 15.243 8.310 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.032 14.799 6.616 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.885 12.970 6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.663 13.602 8.283 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.307 12.814 7.442 1.00 0.00 H new ATOM 981 N GLN A 62 20.798 17.785 9.396 1.00 0.00 N ATOM 982 CA GLN A 62 19.856 18.400 10.320 1.00 0.00 C ATOM 983 C GLN A 62 19.675 19.882 9.981 1.00 0.00 C ATOM 984 O GLN A 62 19.717 20.734 10.868 1.00 0.00 O ATOM 985 CB GLN A 62 20.385 18.264 11.754 1.00 0.00 C ATOM 986 CG GLN A 62 20.592 16.784 12.090 1.00 0.00 C ATOM 987 CD GLN A 62 19.244 16.083 12.216 1.00 0.00 C ATOM 988 OE1 GLN A 62 18.242 16.721 12.540 1.00 0.00 O ATOM 989 NE2 GLN A 62 19.158 14.803 11.981 1.00 0.00 N ATOM 0 H GLN A 62 21.690 17.523 9.816 1.00 0.00 H new ATOM 0 HA GLN A 62 18.893 17.896 10.234 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.325 18.805 11.858 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.681 18.711 12.456 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.188 16.306 11.312 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.149 16.689 13.022 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.990 14.277 11.713 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.259 14.328 12.065 1.00 0.00 H new ATOM 998 N LYS A 63 19.474 20.184 8.693 1.00 0.00 N ATOM 999 CA LYS A 63 19.286 21.570 8.253 1.00 0.00 C ATOM 1000 C LYS A 63 17.901 22.093 8.642 1.00 0.00 C ATOM 1001 O LYS A 63 17.107 22.468 7.777 1.00 0.00 O ATOM 1002 CB LYS A 63 19.467 21.681 6.727 1.00 0.00 C ATOM 1003 CG LYS A 63 19.603 23.156 6.324 1.00 0.00 C ATOM 1004 CD LYS A 63 20.000 23.262 4.848 1.00 0.00 C ATOM 1005 CE LYS A 63 20.111 24.738 4.455 1.00 0.00 C ATOM 1006 NZ LYS A 63 18.765 25.374 4.522 1.00 0.00 N ATOM 0 H LYS A 63 19.438 19.493 7.943 1.00 0.00 H new ATOM 0 HA LYS A 63 20.040 22.178 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.352 21.127 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.614 21.233 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.660 23.676 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.353 23.644 6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.951 22.757 4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.259 22.763 4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.801 25.252 5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.517 24.827 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.763 26.243 3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.051 24.715 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.540 25.608 5.510 1.00 0.00 H new ATOM 1020 N GLU A 64 17.620 22.135 9.947 1.00 0.00 N ATOM 1021 CA GLU A 64 16.333 22.635 10.430 1.00 0.00 C ATOM 1022 C GLU A 64 16.104 24.054 9.911 1.00 0.00 C ATOM 1023 O GLU A 64 15.007 24.401 9.477 1.00 0.00 O ATOM 1024 CB GLU A 64 16.321 22.643 11.965 1.00 0.00 C ATOM 1025 CG GLU A 64 16.389 21.209 12.494 1.00 0.00 C ATOM 1026 CD GLU A 64 16.258 21.206 14.015 1.00 0.00 C ATOM 1027 OE1 GLU A 64 16.812 22.097 14.640 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.607 20.316 14.532 1.00 0.00 O ATOM 0 H GLU A 64 18.260 21.832 10.681 1.00 0.00 H new ATOM 0 HA GLU A 64 15.538 21.984 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.167 23.219 12.341 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.416 23.131 12.328 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.592 20.611 12.051 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.333 20.749 12.201 1.00 0.00 H new HETATM 1035 N SEP A 65 17.151 24.872 9.965 1.00 0.00 N HETATM 1036 CA SEP A 65 17.087 26.258 9.492 1.00 0.00 C HETATM 1037 CB SEP A 65 17.166 27.223 10.673 1.00 0.00 C HETATM 1038 OG SEP A 65 16.734 28.512 10.258 1.00 0.00 O HETATM 1039 C SEP A 65 18.244 26.515 8.535 1.00 0.00 C HETATM 1040 O SEP A 65 18.671 25.614 7.814 1.00 0.00 O HETATM 1041 P SEP A 65 16.858 29.704 11.220 1.00 0.00 P HETATM 1042 O1P SEP A 65 16.197 30.912 10.473 1.00 0.00 O HETATM 1043 O2P SEP A 65 18.397 29.885 11.454 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.081 29.272 12.511 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.543 26.865 11.492 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.188 27.273 11.048 1.00 0.00 H new HETATM 0 HA SEP A 65 16.141 26.418 8.974 1.00 0.00 H new ATOM 1049 N THR A 66 18.762 27.742 8.540 1.00 0.00 N ATOM 1050 CA THR A 66 19.898 28.090 7.687 1.00 0.00 C ATOM 1051 C THR A 66 21.188 27.873 8.465 1.00 0.00 C ATOM 1052 O THR A 66 21.140 27.464 9.625 1.00 0.00 O ATOM 1053 CB THR A 66 19.792 29.558 7.243 1.00 0.00 C ATOM 1054 OG1 THR A 66 19.249 30.335 8.303 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.880 29.650 6.021 1.00 0.00 C ATOM 0 H THR A 66 18.417 28.507 9.120 1.00 0.00 H new ATOM 0 HA THR A 66 19.896 27.457 6.800 1.00 0.00 H new ATOM 0 HB THR A 66 20.782 29.937 6.988 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.736 31.082 7.931 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.802 30.690 5.703 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.297 29.053 5.210 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.890 29.274 6.277 1.00 0.00 H new ATOM 1063 N LEU A 67 22.337 28.123 7.835 1.00 0.00 N ATOM 1064 CA LEU A 67 23.619 27.915 8.496 1.00 0.00 C ATOM 1065 C LEU A 67 23.953 29.083 9.415 1.00 0.00 C ATOM 1066 O LEU A 67 25.089 29.562 9.456 1.00 0.00 O ATOM 1067 CB LEU A 67 24.713 27.770 7.427 1.00 0.00 C ATOM 1068 CG LEU A 67 24.663 26.361 6.805 1.00 0.00 C ATOM 1069 CD1 LEU A 67 25.116 25.301 7.830 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.232 26.047 6.345 1.00 0.00 C ATOM 0 H LEU A 67 22.403 28.467 6.877 1.00 0.00 H new ATOM 0 HA LEU A 67 23.562 27.011 9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.576 28.523 6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.693 27.945 7.872 1.00 0.00 H new ATOM 0 HG LEU A 67 25.338 26.336 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.074 24.312 7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.138 25.513 8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.456 25.328 8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.202 25.050 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.558 26.088 7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.920 26.780 5.602 1.00 0.00 H new ATOM 1082 N HIS A 68 22.945 29.518 10.159 1.00 0.00 N ATOM 1083 CA HIS A 68 23.117 30.613 11.100 1.00 0.00 C ATOM 1084 C HIS A 68 23.680 30.060 12.397 1.00 0.00 C ATOM 1085 O HIS A 68 23.066 29.210 13.043 1.00 0.00 O ATOM 1086 CB HIS A 68 21.772 31.286 11.371 1.00 0.00 C ATOM 1087 CG HIS A 68 21.293 31.965 10.117 1.00 0.00 C ATOM 1088 ND1 HIS A 68 22.095 32.086 8.994 1.00 0.00 N ATOM 1089 CD2 HIS A 68 20.102 32.567 9.796 1.00 0.00 C ATOM 1090 CE1 HIS A 68 21.384 32.737 8.056 1.00 0.00 C ATOM 1091 NE2 HIS A 68 20.162 33.054 8.493 1.00 0.00 N ATOM 0 H HIS A 68 22.002 29.130 10.128 1.00 0.00 H new ATOM 0 HA HIS A 68 23.801 31.351 10.681 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.042 30.546 11.699 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.872 32.014 12.176 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.249 32.650 10.453 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.756 32.974 7.070 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.430 33.547 7.982 1.00 0.00 H new ATOM 1100 N LEU A 69 24.863 30.535 12.768 1.00 0.00 N ATOM 1101 CA LEU A 69 25.533 30.079 13.979 1.00 0.00 C ATOM 1102 C LEU A 69 25.586 31.197 15.011 1.00 0.00 C ATOM 1103 O LEU A 69 25.894 32.341 14.679 1.00 0.00 O ATOM 1104 CB LEU A 69 26.954 29.633 13.608 1.00 0.00 C ATOM 1105 CG LEU A 69 27.756 29.254 14.859 1.00 0.00 C ATOM 1106 CD1 LEU A 69 26.999 28.191 15.664 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.120 28.696 14.431 1.00 0.00 C ATOM 0 H LEU A 69 25.380 31.240 12.243 1.00 0.00 H new ATOM 0 HA LEU A 69 24.981 29.246 14.414 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.906 28.780 12.930 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.463 30.436 13.075 1.00 0.00 H new ATOM 0 HG LEU A 69 27.896 30.138 15.481 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.575 27.927 16.551 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.029 28.586 15.966 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.854 27.303 15.048 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.696 28.424 15.316 1.00 0.00 H new ATOM 0 HD22 LEU A 69 28.973 27.813 13.809 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.661 29.453 13.864 1.00 0.00 H new ATOM 1119 N VAL A 70 25.309 30.852 16.266 1.00 0.00 N ATOM 1120 CA VAL A 70 25.356 31.826 17.348 1.00 0.00 C ATOM 1121 C VAL A 70 26.634 31.629 18.148 1.00 0.00 C ATOM 1122 O VAL A 70 26.879 30.553 18.694 1.00 0.00 O ATOM 1123 CB VAL A 70 24.130 31.676 18.254 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.326 32.476 19.544 1.00 0.00 C ATOM 1125 CG2 VAL A 70 22.899 32.202 17.516 1.00 0.00 C ATOM 0 H VAL A 70 25.051 29.909 16.556 1.00 0.00 H new ATOM 0 HA VAL A 70 25.347 32.832 16.928 1.00 0.00 H new ATOM 0 HB VAL A 70 23.996 30.624 18.506 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.448 32.362 20.180 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.206 32.107 20.071 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.463 33.530 19.301 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.021 32.099 18.154 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.046 33.253 17.267 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.751 31.629 16.600 1.00 0.00 H new ATOM 1135 N LEU A 71 27.450 32.677 18.211 1.00 0.00 N ATOM 1136 CA LEU A 71 28.715 32.613 18.941 1.00 0.00 C ATOM 1137 C LEU A 71 28.538 33.069 20.383 1.00 0.00 C ATOM 1138 O LEU A 71 28.076 34.179 20.645 1.00 0.00 O ATOM 1139 CB LEU A 71 29.766 33.488 18.249 1.00 0.00 C ATOM 1140 CG LEU A 71 31.172 33.109 18.752 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.613 31.753 18.164 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.169 34.197 18.334 1.00 0.00 C ATOM 0 H LEU A 71 27.261 33.576 17.769 1.00 0.00 H new ATOM 0 HA LEU A 71 29.051 31.576 18.945 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.708 33.356 17.169 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.568 34.540 18.453 1.00 0.00 H new ATOM 0 HG LEU A 71 31.146 33.025 19.838 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.608 31.504 18.531 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.909 30.978 18.468 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.633 31.818 17.076 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.165 33.933 18.688 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.181 34.282 17.247 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.870 35.151 18.769 1.00 0.00 H new ATOM 1154 N ARG A 72 28.927 32.202 21.314 1.00 0.00 N ATOM 1155 CA ARG A 72 28.830 32.498 22.742 1.00 0.00 C ATOM 1156 C ARG A 72 30.177 32.212 23.402 1.00 0.00 C ATOM 1157 O ARG A 72 30.982 31.456 22.865 1.00 0.00 O ATOM 1158 CB ARG A 72 27.747 31.604 23.378 1.00 0.00 C ATOM 1159 CG ARG A 72 26.363 32.278 23.281 1.00 0.00 C ATOM 1160 CD ARG A 72 26.139 33.201 24.484 1.00 0.00 C ATOM 1161 NE ARG A 72 24.784 33.739 24.460 1.00 0.00 N ATOM 1162 CZ ARG A 72 23.743 32.992 24.815 1.00 0.00 C ATOM 1163 NH1 ARG A 72 22.540 33.495 24.789 1.00 0.00 N ATOM 1164 NH2 ARG A 72 23.926 31.754 25.187 1.00 0.00 N ATOM 0 H ARG A 72 29.315 31.282 21.104 1.00 0.00 H new ATOM 0 HA ARG A 72 28.564 33.545 22.885 1.00 0.00 H new ATOM 0 HB2 ARG A 72 27.723 30.638 22.874 1.00 0.00 H new ATOM 0 HB3 ARG A 72 27.992 31.413 24.423 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.293 32.850 22.356 1.00 0.00 H new ATOM 0 HG3 ARG A 72 25.582 31.518 23.246 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.303 32.650 25.410 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.862 34.016 24.466 1.00 0.00 H new ATOM 0 HE ARG A 72 24.632 34.704 24.166 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.398 34.462 24.496 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.742 32.922 25.061 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.867 31.361 25.205 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.128 31.180 25.460 1.00 0.00 H new ATOM 1178 N LEU A 73 30.419 32.817 24.564 1.00 0.00 N ATOM 1179 CA LEU A 73 31.679 32.613 25.286 1.00 0.00 C ATOM 1180 C LEU A 73 31.406 32.006 26.660 1.00 0.00 C ATOM 1181 O LEU A 73 30.321 32.178 27.219 1.00 0.00 O ATOM 1182 CB LEU A 73 32.418 33.947 25.451 1.00 0.00 C ATOM 1183 CG LEU A 73 31.423 35.060 25.867 1.00 0.00 C ATOM 1184 CD1 LEU A 73 32.105 36.053 26.816 1.00 0.00 C ATOM 1185 CD2 LEU A 73 30.934 35.813 24.621 1.00 0.00 C ATOM 0 H LEU A 73 29.765 33.449 25.025 1.00 0.00 H new ATOM 0 HA LEU A 73 32.302 31.929 24.709 1.00 0.00 H new ATOM 0 HB2 LEU A 73 33.200 33.848 26.204 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.908 34.218 24.516 1.00 0.00 H new ATOM 0 HG LEU A 73 30.577 34.598 26.375 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.396 36.830 27.101 1.00 0.00 H new ATOM 0 HD12 LEU A 73 32.446 35.528 27.708 1.00 0.00 H new ATOM 0 HD13 LEU A 73 32.959 36.508 26.314 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.235 36.594 24.919 1.00 0.00 H new ATOM 0 HD22 LEU A 73 31.785 36.263 24.111 1.00 0.00 H new ATOM 0 HD23 LEU A 73 30.434 35.117 23.948 1.00 0.00 H new ATOM 1197 N ARG A 74 32.393 31.291 27.196 1.00 0.00 N ATOM 1198 CA ARG A 74 32.243 30.657 28.503 1.00 0.00 C ATOM 1199 C ARG A 74 31.754 31.663 29.539 1.00 0.00 C ATOM 1200 O ARG A 74 30.765 31.423 30.232 1.00 0.00 O ATOM 1201 CB ARG A 74 33.586 30.072 28.954 1.00 0.00 C ATOM 1202 CG ARG A 74 33.397 29.301 30.262 1.00 0.00 C ATOM 1203 CD ARG A 74 34.719 28.641 30.664 1.00 0.00 C ATOM 1204 NE ARG A 74 34.566 27.933 31.931 1.00 0.00 N ATOM 1205 CZ ARG A 74 35.623 27.577 32.653 1.00 0.00 C ATOM 1206 NH1 ARG A 74 35.459 26.952 33.787 1.00 0.00 N ATOM 1207 NH2 ARG A 74 36.827 27.849 32.227 1.00 0.00 N ATOM 0 H ARG A 74 33.297 31.137 26.750 1.00 0.00 H new ATOM 0 HA ARG A 74 31.506 29.859 28.415 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.983 29.410 28.184 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.314 30.871 29.093 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.062 29.977 31.049 1.00 0.00 H new ATOM 0 HG3 ARG A 74 32.623 28.544 30.141 1.00 0.00 H new ATOM 0 HD2 ARG A 74 35.037 27.946 29.887 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.499 29.397 30.754 1.00 0.00 H new ATOM 0 HE ARG A 74 33.630 27.707 32.268 1.00 0.00 H new ATOM 0 HH11 ARG A 74 34.519 26.737 34.119 1.00 0.00 H new ATOM 0 HH12 ARG A 74 36.271 26.679 34.341 1.00 0.00 H new ATOM 0 HH21 ARG A 74 36.956 28.335 31.340 1.00 0.00 H new ATOM 0 HH22 ARG A 74 37.638 27.576 32.782 1.00 0.00 H new ATOM 1221 N GLY A 75 32.453 32.787 29.642 1.00 0.00 N ATOM 1222 CA GLY A 75 32.081 33.822 30.600 1.00 0.00 C ATOM 1223 C GLY A 75 32.083 33.272 32.022 1.00 0.00 C ATOM 1224 O GLY A 75 31.239 33.640 32.839 1.00 0.00 O ATOM 0 H GLY A 75 33.275 33.005 29.079 1.00 0.00 H new ATOM 0 HA2 GLY A 75 32.777 34.657 30.528 1.00 0.00 H new ATOM 0 HA3 GLY A 75 31.092 34.210 30.357 1.00 0.00 H new ATOM 1228 N GLY A 76 33.033 32.390 32.310 1.00 0.00 N ATOM 1229 CA GLY A 76 33.132 31.795 33.637 1.00 0.00 C ATOM 1230 C GLY A 76 31.908 30.939 33.942 1.00 0.00 C ATOM 1231 O GLY A 76 30.894 31.503 34.319 1.00 0.00 O ATOM 1232 OXT GLY A 76 32.002 29.731 33.794 1.00 0.00 O ATOM 0 H GLY A 76 33.741 32.073 31.648 1.00 0.00 H new ATOM 0 HA2 GLY A 76 34.033 31.184 33.700 1.00 0.00 H new ATOM 0 HA3 GLY A 76 33.227 32.581 34.386 1.00 0.00 H new TER 1236 GLY A 76