USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 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 Set 1.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.0072 X(o=-0.0072,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.373 (180deg=0.159) USER MOD Single : A 2 GLN : amide:sc= -2.45! C(o=-2.4!,f=-7.4!) USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0507) USER MOD Single : A 7 THR OG1 : rot -48:sc= -1.51! USER MOD Single : A 9 THR OG1 : rot 180:sc= 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 -84:sc= 1.43 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0.0101 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -107:sc= 0.522 (180deg=-0.29) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= 0.244 K(o=0.24,f=-6.9!) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0802) 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 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -61:sc= 0.754 USER MOD Single : A 60 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.79) USER MOD Single : A 62 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.049) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -88:sc= -2.41! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.030 24.659 2.705 1.00 49.53 N ATOM 2 CA MET A 1 25.955 25.633 2.963 1.00 50.07 C ATOM 3 C MET A 1 26.476 26.834 3.788 1.00 50.51 C ATOM 4 O MET A 1 27.286 26.625 4.692 1.00 49.49 O ATOM 5 CB MET A 1 24.792 24.957 3.687 1.00 49.82 C ATOM 6 CG MET A 1 24.242 23.726 2.982 1.00 49.86 C ATOM 7 SD MET A 1 23.491 24.114 1.388 1.00 49.91 S ATOM 8 CE MET A 1 23.339 22.477 0.678 1.00 49.78 C ATOM 0 H1 MET A 1 26.696 23.945 2.026 1.00 49.53 H new ATOM 0 H2 MET A 1 27.857 25.151 2.311 1.00 49.53 H new ATOM 0 H3 MET A 1 27.297 24.192 3.595 1.00 49.53 H new ATOM 0 HA MET A 1 25.603 26.011 2.003 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.119 24.672 4.687 1.00 49.82 H new ATOM 0 HB3 MET A 1 23.986 25.681 3.809 1.00 49.82 H new ATOM 0 HG2 MET A 1 25.048 23.007 2.834 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.501 23.247 3.621 1.00 49.86 H new ATOM 0 HE1 MET A 1 22.889 22.550 -0.312 1.00 49.78 H new ATOM 0 HE2 MET A 1 24.327 22.023 0.595 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.708 21.860 1.318 1.00 49.78 H new ATOM 18 N GLN A 2 25.982 27.981 3.432 1.00 49.53 N ATOM 19 CA GLN A 2 26.383 29.210 4.185 1.00 50.07 C ATOM 20 C GLN A 2 25.579 29.538 5.434 1.00 50.51 C ATOM 21 O GLN A 2 24.318 29.610 5.436 1.00 49.49 O ATOM 22 CB GLN A 2 26.350 30.421 3.249 1.00 49.82 C ATOM 23 CG GLN A 2 27.485 30.460 2.240 1.00 49.82 C ATOM 24 CD GLN A 2 27.540 31.771 1.481 1.00 50.55 C ATOM 25 OE1 GLN A 2 28.045 32.777 1.987 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.015 31.771 0.261 1.00 49.38 N ATOM 0 H GLN A 2 25.327 28.128 2.664 1.00 49.53 H new ATOM 0 HA GLN A 2 27.386 28.983 4.545 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.401 30.425 2.712 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.381 31.331 3.849 1.00 49.82 H new ATOM 0 HG2 GLN A 2 28.432 30.303 2.756 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.367 29.639 1.533 1.00 49.82 H new ATOM 0 HE21 GLN A 2 26.608 30.917 -0.119 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.019 32.625 -0.296 1.00 49.38 H new ATOM 35 N ILE A 3 26.293 29.685 6.540 1.00 49.53 N ATOM 36 CA ILE A 3 25.663 30.147 7.792 1.00 50.07 C ATOM 37 C ILE A 3 26.337 31.475 8.251 1.00 50.51 C ATOM 38 O ILE A 3 27.415 31.730 7.743 1.00 49.49 O ATOM 39 CB ILE A 3 25.782 29.098 8.913 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.247 28.911 9.316 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.175 27.775 8.470 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.437 28.055 10.547 1.00 49.73 C ATOM 0 H ILE A 3 27.293 29.498 6.608 1.00 49.53 H new ATOM 0 HA ILE A 3 24.603 30.308 7.595 1.00 50.07 H new ATOM 0 HB ILE A 3 25.229 29.455 9.782 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.788 28.460 8.484 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.693 29.890 9.493 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.268 27.045 9.274 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.121 27.920 8.231 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.701 27.411 7.587 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.501 27.969 10.770 1.00 49.73 H new ATOM 0 HD12 ILE A 3 26.926 28.515 11.393 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.022 27.063 10.368 1.00 49.73 H new ATOM 54 N PHE A 4 25.629 32.145 9.129 1.00 49.53 N ATOM 55 CA PHE A 4 26.209 33.445 9.641 1.00 50.07 C ATOM 56 C PHE A 4 26.639 33.520 11.078 1.00 50.51 C ATOM 57 O PHE A 4 25.843 33.065 11.913 1.00 49.49 O ATOM 58 CB PHE A 4 25.220 34.579 9.366 1.00 49.82 C ATOM 59 CG PHE A 4 24.998 34.851 7.905 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.818 35.731 7.216 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.970 34.224 7.217 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.616 35.982 5.872 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.765 34.473 5.873 1.00 49.88 C ATOM 64 CZ PHE A 4 24.588 35.351 5.200 1.00 49.88 C ATOM 0 H PHE A 4 24.720 31.874 9.503 1.00 49.53 H new ATOM 0 HA PHE A 4 27.145 33.531 9.089 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.264 34.335 9.830 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.583 35.489 9.844 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.625 36.227 7.736 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.323 33.534 7.737 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.262 36.671 5.348 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.960 33.979 5.350 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.429 35.545 4.149 1.00 49.88 H new ATOM 74 N VAL A 5 27.789 34.096 11.416 1.00 49.53 N ATOM 75 CA VAL A 5 28.188 34.263 12.799 1.00 50.07 C ATOM 76 C VAL A 5 28.052 35.734 13.261 1.00 50.51 C ATOM 77 O VAL A 5 28.835 36.503 12.691 1.00 49.49 O ATOM 78 CB VAL A 5 29.639 33.798 13.026 1.00 49.91 C ATOM 79 CG1 VAL A 5 30.001 33.885 14.502 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.829 32.378 12.514 1.00 49.73 C ATOM 0 H VAL A 5 28.463 34.456 10.740 1.00 49.53 H new ATOM 0 HA VAL A 5 27.515 33.643 13.391 1.00 50.07 H new ATOM 0 HB VAL A 5 30.304 34.457 12.468 1.00 49.91 H new ATOM 0 HG11 VAL A 5 31.029 33.553 14.645 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.903 34.916 14.841 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.331 33.248 15.079 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.860 32.065 12.682 1.00 49.73 H new ATOM 0 HG22 VAL A 5 29.155 31.706 13.045 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.609 32.343 11.447 1.00 49.73 H new ATOM 90 N LYS A 6 27.140 35.996 14.132 1.00 49.53 N ATOM 91 CA LYS A 6 26.917 37.407 14.600 1.00 50.07 C ATOM 92 C LYS A 6 27.932 37.747 15.657 1.00 50.51 C ATOM 93 O LYS A 6 28.098 36.989 16.640 1.00 49.49 O ATOM 94 CB LYS A 6 25.498 37.581 15.144 1.00 49.82 C ATOM 95 CG LYS A 6 25.108 39.024 15.434 1.00 49.82 C ATOM 96 CD LYS A 6 23.740 39.105 16.095 1.00 49.82 C ATOM 97 CE LYS A 6 23.363 40.545 16.415 1.00 50.21 C ATOM 98 NZ LYS A 6 24.195 41.108 17.513 1.00 49.70 N ATOM 0 H LYS A 6 26.525 35.300 14.554 1.00 49.53 H new ATOM 0 HA LYS A 6 27.035 38.085 13.755 1.00 50.07 H new ATOM 0 HB2 LYS A 6 24.793 37.164 14.425 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.400 37.000 16.061 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.855 39.482 16.082 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.100 39.594 14.505 1.00 49.82 H new ATOM 0 HD2 LYS A 6 22.989 38.668 15.436 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.741 38.515 17.012 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.480 41.158 15.521 1.00 50.21 H new ATOM 0 HE3 LYS A 6 22.311 40.590 16.697 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 23.810 42.029 17.803 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 24.185 40.458 18.324 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 25.172 41.231 17.180 1.00 49.70 H new ATOM 112 N THR A 7 28.628 38.895 15.499 1.00 49.53 N ATOM 113 CA THR A 7 29.635 39.292 16.494 1.00 50.07 C ATOM 114 C THR A 7 29.140 40.301 17.533 1.00 50.51 C ATOM 115 O THR A 7 27.973 40.690 17.446 1.00 49.49 O ATOM 116 CB THR A 7 30.887 39.872 15.810 1.00 50.14 C ATOM 117 OG1 THR A 7 30.537 41.068 15.102 1.00 49.34 O ATOM 118 CG2 THR A 7 31.478 38.864 14.836 1.00 49.73 C ATOM 0 H THR A 7 28.514 39.541 14.718 1.00 49.53 H new ATOM 0 HA THR A 7 29.870 38.370 17.026 1.00 50.07 H new ATOM 0 HB THR A 7 31.629 40.099 16.576 1.00 50.14 H new ATOM 0 HG1 THR A 7 29.736 40.905 14.561 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.362 39.291 14.362 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.757 37.958 15.374 1.00 49.73 H new ATOM 0 HG23 THR A 7 30.739 38.619 14.073 1.00 49.73 H new ATOM 126 N LEU A 8 30.003 40.752 18.416 1.00 49.53 N ATOM 127 CA LEU A 8 29.588 41.696 19.479 1.00 50.07 C ATOM 128 C LEU A 8 29.641 43.151 19.059 1.00 50.51 C ATOM 129 O LEU A 8 28.837 43.963 19.555 1.00 49.49 O ATOM 130 CB LEU A 8 30.452 41.483 20.729 1.00 49.82 C ATOM 131 CG LEU A 8 30.330 40.097 21.377 1.00 49.91 C ATOM 132 CD1 LEU A 8 31.142 40.051 22.665 1.00 49.73 C ATOM 133 CD2 LEU A 8 28.865 39.791 21.651 1.00 49.73 C ATOM 0 H LEU A 8 30.990 40.496 18.436 1.00 49.53 H new ATOM 0 HA LEU A 8 28.542 41.477 19.694 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.496 41.652 20.463 1.00 49.82 H new ATOM 0 HB3 LEU A 8 30.185 42.238 21.469 1.00 49.82 H new ATOM 0 HG LEU A 8 30.724 39.341 20.698 1.00 49.91 H new ATOM 0 HD11 LEU A 8 31.050 39.064 23.118 1.00 49.73 H new ATOM 0 HD12 LEU A 8 32.190 40.251 22.442 1.00 49.73 H new ATOM 0 HD13 LEU A 8 30.768 40.805 23.358 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.779 38.807 22.111 1.00 49.73 H new ATOM 0 HD22 LEU A 8 28.456 40.544 22.325 1.00 49.73 H new ATOM 0 HD23 LEU A 8 28.309 39.803 20.713 1.00 49.73 H new ATOM 145 N THR A 9 30.540 43.500 18.120 1.00 49.53 N ATOM 146 CA THR A 9 30.552 44.953 17.737 1.00 50.07 C ATOM 147 C THR A 9 29.686 45.203 16.540 1.00 50.51 C ATOM 148 O THR A 9 29.255 46.339 16.270 1.00 49.49 O ATOM 149 CB THR A 9 31.980 45.445 17.435 1.00 50.14 C ATOM 150 OG1 THR A 9 32.484 44.776 16.273 1.00 49.34 O ATOM 151 CG2 THR A 9 32.900 45.168 18.614 1.00 49.73 C ATOM 0 H THR A 9 31.205 42.887 17.648 1.00 49.53 H new ATOM 0 HA THR A 9 30.159 45.507 18.590 1.00 50.07 H new ATOM 0 HB THR A 9 31.947 46.520 17.257 1.00 50.14 H new ATOM 0 HG1 THR A 9 33.392 45.092 16.082 1.00 49.34 H new ATOM 0 HG21 THR A 9 33.905 45.522 18.383 1.00 49.73 H new ATOM 0 HG22 THR A 9 32.526 45.687 19.497 1.00 49.73 H new ATOM 0 HG23 THR A 9 32.929 44.096 18.809 1.00 49.73 H new ATOM 159 N GLY A 10 29.430 44.203 15.755 1.00 49.53 N ATOM 160 CA GLY A 10 28.606 44.299 14.571 1.00 49.98 C ATOM 161 C GLY A 10 29.090 43.616 13.327 1.00 50.51 C ATOM 162 O GLY A 10 28.574 43.880 12.217 1.00 49.49 O ATOM 0 H GLY A 10 29.796 43.265 15.918 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.623 43.896 14.813 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.470 45.356 14.342 1.00 49.98 H new ATOM 166 N LYS A 11 30.191 42.917 13.439 1.00 49.53 N ATOM 167 CA LYS A 11 30.723 42.113 12.347 1.00 50.07 C ATOM 168 C LYS A 11 29.873 40.849 12.080 1.00 50.51 C ATOM 169 O LYS A 11 29.516 40.204 13.060 1.00 49.49 O ATOM 170 CB LYS A 11 32.171 41.715 12.637 1.00 49.82 C ATOM 171 CG LYS A 11 33.182 42.837 12.439 1.00 49.82 C ATOM 172 CD LYS A 11 34.598 42.362 12.728 1.00 49.82 C ATOM 173 CE LYS A 11 35.611 43.480 12.525 1.00 50.21 C ATOM 174 NZ LYS A 11 37.001 43.028 12.799 1.00 49.70 N ATOM 0 H LYS A 11 30.752 42.884 14.290 1.00 49.53 H new ATOM 0 HA LYS A 11 30.686 42.729 11.449 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.238 41.358 13.665 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.442 40.880 11.991 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.122 43.207 11.416 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.935 43.672 13.095 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.659 41.996 13.753 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.843 41.524 12.075 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.545 43.848 11.501 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.365 44.315 13.181 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 37.659 43.819 12.649 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 37.072 42.700 13.784 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 37.245 42.248 12.156 1.00 49.70 H new ATOM 188 N THR A 12 29.647 40.550 10.814 1.00 49.53 N ATOM 189 CA THR A 12 28.915 39.302 10.524 1.00 50.07 C ATOM 190 C THR A 12 29.743 38.383 9.629 1.00 50.51 C ATOM 191 O THR A 12 29.752 38.654 8.426 1.00 49.49 O ATOM 192 CB THR A 12 27.562 39.584 9.845 1.00 50.14 C ATOM 193 OG1 THR A 12 26.701 40.278 10.757 1.00 49.34 O ATOM 194 CG2 THR A 12 26.900 38.285 9.415 1.00 49.73 C ATOM 0 H THR A 12 29.933 41.104 10.007 1.00 49.53 H new ATOM 0 HA THR A 12 28.731 38.811 11.480 1.00 50.07 H new ATOM 0 HB THR A 12 27.737 40.199 8.962 1.00 50.14 H new ATOM 0 HG1 THR A 12 25.841 40.458 10.322 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.945 38.504 8.937 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.547 37.763 8.710 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.732 37.655 10.289 1.00 49.73 H new ATOM 202 N ILE A 13 30.270 37.310 10.218 1.00 49.53 N ATOM 203 CA ILE A 13 31.070 36.422 9.325 1.00 50.07 C ATOM 204 C ILE A 13 30.193 35.441 8.597 1.00 50.51 C ATOM 205 O ILE A 13 29.109 35.087 9.099 1.00 49.49 O ATOM 206 CB ILE A 13 32.144 35.650 10.113 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.031 36.619 10.899 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.984 34.799 9.172 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.951 35.941 11.887 1.00 49.73 C ATOM 0 H ILE A 13 30.184 37.039 11.197 1.00 49.53 H new ATOM 0 HA ILE A 13 31.560 37.070 8.598 1.00 50.07 H new ATOM 0 HB ILE A 13 31.645 34.989 10.822 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.631 37.198 10.197 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.396 37.325 11.434 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.738 34.260 9.745 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.342 34.086 8.656 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.474 35.441 8.440 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.547 36.693 12.405 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.358 35.385 12.613 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.612 35.256 11.357 1.00 49.73 H new ATOM 221 N THR A 14 30.609 34.986 7.437 1.00 49.53 N ATOM 222 CA THR A 14 29.747 33.980 6.748 1.00 50.07 C ATOM 223 C THR A 14 30.660 32.787 6.639 1.00 50.51 C ATOM 224 O THR A 14 31.814 32.914 6.152 1.00 49.49 O ATOM 225 CB THR A 14 29.291 34.442 5.351 1.00 50.14 C ATOM 226 OG1 THR A 14 28.648 35.719 5.453 1.00 49.34 O ATOM 227 CG2 THR A 14 28.323 33.437 4.746 1.00 49.73 C ATOM 0 H THR A 14 31.468 35.254 6.957 1.00 49.53 H new ATOM 0 HA THR A 14 28.820 33.790 7.289 1.00 50.07 H new ATOM 0 HB THR A 14 30.167 34.519 4.707 1.00 50.14 H new ATOM 0 HG1 THR A 14 27.706 35.593 5.693 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.012 33.780 3.759 1.00 49.73 H new ATOM 0 HG22 THR A 14 28.814 32.468 4.655 1.00 49.73 H new ATOM 0 HG23 THR A 14 27.448 33.341 5.389 1.00 49.73 H new ATOM 235 N LEU A 15 30.195 31.602 7.003 1.00 49.53 N ATOM 236 CA LEU A 15 31.004 30.403 6.947 1.00 50.07 C ATOM 237 C LEU A 15 30.531 29.278 6.018 1.00 50.51 C ATOM 238 O LEU A 15 29.334 29.030 6.059 1.00 49.49 O ATOM 239 CB LEU A 15 31.176 29.846 8.365 1.00 49.82 C ATOM 240 CG LEU A 15 32.471 30.259 9.076 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.256 31.560 9.838 1.00 49.73 C ATOM 242 CD2 LEU A 15 32.913 29.148 10.017 1.00 49.73 C ATOM 0 H LEU A 15 29.246 31.449 7.345 1.00 49.53 H new ATOM 0 HA LEU A 15 31.942 30.736 6.503 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.329 30.169 8.970 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.137 28.758 8.318 1.00 49.82 H new ATOM 0 HG LEU A 15 33.255 30.423 8.337 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.181 31.845 10.339 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.964 32.346 9.141 1.00 49.73 H new ATOM 0 HD13 LEU A 15 31.469 31.422 10.579 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.833 29.443 10.521 1.00 49.73 H new ATOM 0 HD22 LEU A 15 32.135 28.968 10.758 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.088 28.236 9.446 1.00 49.73 H new ATOM 254 N GLU A 16 31.486 28.631 5.394 1.00 49.53 N ATOM 255 CA GLU A 16 31.086 27.434 4.583 1.00 50.07 C ATOM 256 C GLU A 16 31.310 26.170 5.385 1.00 50.51 C ATOM 257 O GLU A 16 32.460 25.830 5.658 1.00 49.49 O ATOM 258 CB GLU A 16 31.877 27.379 3.274 1.00 49.82 C ATOM 259 CG GLU A 16 31.600 26.147 2.423 1.00 49.72 C ATOM 260 CD GLU A 16 32.607 26.011 1.315 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.711 26.914 0.520 1.00 49.24 O ATOM 262 OE2 GLU A 16 33.349 25.058 1.328 1.00 49.24 O ATOM 0 H GLU A 16 32.479 28.863 5.406 1.00 49.53 H new ATOM 0 HA GLU A 16 30.027 27.517 4.338 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.649 28.269 2.688 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.942 27.414 3.505 1.00 49.82 H new ATOM 0 HG2 GLU A 16 31.624 25.256 3.050 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.597 26.212 2.000 1.00 49.72 H new ATOM 269 N VAL A 17 30.180 25.617 5.800 1.00 49.53 N ATOM 270 CA VAL A 17 30.166 24.416 6.628 1.00 50.07 C ATOM 271 C VAL A 17 29.469 23.332 5.792 1.00 50.51 C ATOM 272 O VAL A 17 28.858 23.607 4.733 1.00 49.49 O ATOM 273 CB VAL A 17 29.409 24.627 7.952 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.084 25.707 8.785 1.00 49.73 C ATOM 275 CG2 VAL A 17 27.957 24.993 7.683 1.00 49.73 C ATOM 0 H VAL A 17 29.254 25.982 5.576 1.00 49.53 H new ATOM 0 HA VAL A 17 31.184 24.139 6.902 1.00 50.07 H new ATOM 0 HB VAL A 17 29.431 23.693 8.514 1.00 49.91 H new ATOM 0 HG11 VAL A 17 29.536 25.843 9.717 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.109 25.408 9.007 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.092 26.644 8.228 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.437 25.138 8.630 1.00 49.73 H new ATOM 0 HG22 VAL A 17 27.916 25.914 7.101 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.477 24.189 7.125 1.00 49.73 H new ATOM 285 N GLU A 18 29.633 22.131 6.299 1.00 49.53 N ATOM 286 CA GLU A 18 28.983 20.931 5.769 1.00 50.07 C ATOM 287 C GLU A 18 28.398 20.194 6.965 1.00 50.51 C ATOM 288 O GLU A 18 28.818 20.384 8.095 1.00 49.49 O ATOM 289 CB GLU A 18 29.981 20.048 5.016 1.00 49.82 C ATOM 290 CG GLU A 18 30.602 20.704 3.792 1.00 49.72 C ATOM 291 CD GLU A 18 31.255 19.685 2.899 1.00 50.62 C ATOM 292 OE1 GLU A 18 32.115 18.978 3.367 1.00 49.24 O ATOM 293 OE2 GLU A 18 30.818 19.537 1.781 1.00 49.24 O ATOM 0 H GLU A 18 30.230 21.947 7.105 1.00 49.53 H new ATOM 0 HA GLU A 18 28.205 21.195 5.052 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.778 19.756 5.700 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.476 19.133 4.706 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.834 21.240 3.235 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.340 21.441 4.107 1.00 49.72 H new ATOM 300 N PRO A 19 27.407 19.356 6.723 1.00 49.71 N ATOM 301 CA PRO A 19 26.786 18.547 7.772 1.00 50.02 C ATOM 302 C PRO A 19 27.799 17.720 8.522 1.00 50.51 C ATOM 303 O PRO A 19 27.574 17.294 9.664 1.00 49.49 O ATOM 304 CB PRO A 19 25.795 17.648 7.001 1.00 49.82 C ATOM 305 CG PRO A 19 25.438 18.486 5.818 1.00 49.82 C ATOM 306 CD PRO A 19 26.798 19.097 5.395 1.00 50.00 C ATOM 0 HA PRO A 19 26.304 19.160 8.534 1.00 50.02 H new ATOM 0 HB2 PRO A 19 26.252 16.704 6.705 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.919 17.403 7.602 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.999 17.889 5.019 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.712 19.258 6.075 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.392 18.408 4.794 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.678 20.009 4.810 1.00 50.00 H new ATOM 314 N SER A 20 28.922 17.428 7.887 1.00 49.53 N ATOM 315 CA SER A 20 29.942 16.581 8.527 1.00 50.07 C ATOM 316 C SER A 20 30.769 17.256 9.595 1.00 50.51 C ATOM 317 O SER A 20 31.566 16.559 10.248 1.00 49.49 O ATOM 318 CB SER A 20 30.859 16.006 7.464 1.00 50.05 C ATOM 319 OG SER A 20 30.246 14.971 6.744 1.00 49.34 O ATOM 0 H SER A 20 29.157 17.752 6.949 1.00 49.53 H new ATOM 0 HA SER A 20 29.385 15.801 9.046 1.00 50.07 H new ATOM 0 HB2 SER A 20 31.158 16.798 6.777 1.00 50.05 H new ATOM 0 HB3 SER A 20 31.768 15.631 7.934 1.00 50.05 H new ATOM 0 HG SER A 20 30.868 14.629 6.069 1.00 49.34 H new ATOM 325 N ASP A 21 30.688 18.587 9.666 1.00 49.53 N ATOM 326 CA ASP A 21 31.514 19.268 10.698 1.00 50.07 C ATOM 327 C ASP A 21 30.964 19.380 12.096 1.00 50.51 C ATOM 328 O ASP A 21 29.838 19.874 12.302 1.00 49.49 O ATOM 329 CB ASP A 21 31.885 20.669 10.206 1.00 49.72 C ATOM 330 CG ASP A 21 32.688 20.690 8.912 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.469 19.792 8.707 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.404 21.511 8.073 1.00 49.24 O ATOM 0 H ASP A 21 30.111 19.187 9.077 1.00 49.53 H new ATOM 0 HA ASP A 21 32.367 18.599 10.808 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.970 21.244 10.061 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.459 21.174 10.983 1.00 49.72 H new ATOM 337 N THR A 22 31.784 19.018 13.069 1.00 49.53 N ATOM 338 CA THR A 22 31.437 19.153 14.463 1.00 50.07 C ATOM 339 C THR A 22 31.788 20.623 14.794 1.00 50.51 C ATOM 340 O THR A 22 32.264 21.349 13.916 1.00 49.49 O ATOM 341 CB THR A 22 32.235 18.196 15.367 1.00 50.14 C ATOM 342 OG1 THR A 22 33.633 18.497 15.270 1.00 49.34 O ATOM 343 CG2 THR A 22 32.001 16.751 14.953 1.00 49.73 C ATOM 0 H THR A 22 32.710 18.622 12.908 1.00 49.53 H new ATOM 0 HA THR A 22 30.390 18.904 14.638 1.00 50.07 H new ATOM 0 HB THR A 22 31.899 18.327 16.395 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.140 17.888 15.847 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.573 16.089 15.603 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.940 16.515 15.038 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.322 16.612 13.921 1.00 49.73 H new ATOM 351 N ILE A 23 31.533 20.951 16.060 1.00 49.53 N ATOM 352 CA ILE A 23 31.886 22.270 16.579 1.00 50.07 C ATOM 353 C ILE A 23 33.404 22.461 16.592 1.00 50.51 C ATOM 354 O ILE A 23 33.937 23.546 16.300 1.00 49.49 O ATOM 355 CB ILE A 23 31.336 22.485 18.001 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.812 22.623 17.969 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.972 23.712 18.637 1.00 49.73 C ATOM 358 CD1 ILE A 23 29.321 23.787 17.140 1.00 49.73 C ATOM 0 H ILE A 23 31.089 20.330 16.737 1.00 49.53 H new ATOM 0 HA ILE A 23 31.433 23.006 15.915 1.00 50.07 H new ATOM 0 HB ILE A 23 31.589 21.615 18.606 1.00 49.91 H new ATOM 0 HG12 ILE A 23 29.382 21.702 17.576 1.00 49.82 H new ATOM 0 HG13 ILE A 23 29.445 22.736 18.989 1.00 49.82 H new ATOM 0 HG21 ILE A 23 31.572 23.850 19.642 1.00 49.73 H new ATOM 0 HG22 ILE A 23 33.052 23.575 18.692 1.00 49.73 H new ATOM 0 HG23 ILE A 23 31.748 24.592 18.034 1.00 49.73 H new ATOM 0 HD11 ILE A 23 28.232 23.819 17.166 1.00 49.73 H new ATOM 0 HD12 ILE A 23 29.721 24.717 17.545 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.656 23.667 16.110 1.00 49.73 H new ATOM 370 N GLU A 24 34.119 21.420 16.949 1.00 49.53 N ATOM 371 CA GLU A 24 35.619 21.489 16.928 1.00 50.07 C ATOM 372 C GLU A 24 35.970 22.105 15.596 1.00 50.51 C ATOM 373 O GLU A 24 36.653 23.155 15.526 1.00 49.49 O ATOM 374 CB GLU A 24 36.243 20.100 17.075 1.00 49.82 C ATOM 375 CG GLU A 24 37.763 20.096 17.139 1.00 49.72 C ATOM 376 CD GLU A 24 38.317 18.715 16.925 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.933 17.824 17.645 1.00 49.24 O ATOM 378 OE2 GLU A 24 39.036 18.526 15.973 1.00 49.24 O ATOM 0 H GLU A 24 33.732 20.527 17.254 1.00 49.53 H new ATOM 0 HA GLU A 24 36.005 22.077 17.761 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.852 19.634 17.980 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.925 19.482 16.235 1.00 49.82 H new ATOM 0 HG2 GLU A 24 38.162 20.771 16.382 1.00 49.72 H new ATOM 0 HG3 GLU A 24 38.089 20.474 18.108 1.00 49.72 H new ATOM 385 N ASN A 25 35.557 21.461 14.517 1.00 49.53 N ATOM 386 CA ASN A 25 35.811 21.904 13.140 1.00 50.07 C ATOM 387 C ASN A 25 35.420 23.330 12.759 1.00 50.51 C ATOM 388 O ASN A 25 36.210 24.064 12.130 1.00 49.49 O ATOM 389 CB ASN A 25 35.173 20.943 12.154 1.00 49.82 C ATOM 390 CG ASN A 25 36.044 19.767 11.805 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.118 19.919 11.212 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.548 18.591 12.096 1.00 49.38 N ATOM 0 H ASN A 25 35.022 20.594 14.567 1.00 49.53 H new ATOM 0 HA ASN A 25 36.900 21.905 13.091 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.235 20.578 12.572 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.926 21.484 11.241 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.053 17.745 11.832 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.657 18.521 12.587 1.00 49.38 H new ATOM 399 N VAL A 26 34.209 23.688 13.162 1.00 49.53 N ATOM 400 CA VAL A 26 33.705 25.031 12.901 1.00 50.07 C ATOM 401 C VAL A 26 34.364 26.193 13.637 1.00 50.51 C ATOM 402 O VAL A 26 34.582 27.270 13.072 1.00 49.49 O ATOM 403 CB VAL A 26 32.190 25.099 13.173 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.695 26.534 13.077 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.433 24.209 12.198 1.00 49.73 C ATOM 0 H VAL A 26 33.564 23.078 13.664 1.00 49.53 H new ATOM 0 HA VAL A 26 33.962 25.175 11.852 1.00 50.07 H new ATOM 0 HB VAL A 26 32.006 24.738 14.185 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.623 26.563 13.272 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.214 27.148 13.813 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.892 26.921 12.077 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.364 24.269 12.405 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.625 24.542 11.178 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.767 23.178 12.312 1.00 49.73 H new ATOM 415 N LYS A 27 34.683 25.967 14.906 1.00 49.53 N ATOM 416 CA LYS A 27 35.318 27.011 15.722 1.00 50.07 C ATOM 417 C LYS A 27 36.729 27.080 15.162 1.00 50.51 C ATOM 418 O LYS A 27 37.361 28.163 15.240 1.00 49.49 O ATOM 419 CB LYS A 27 35.322 26.643 17.207 1.00 49.82 C ATOM 420 CG LYS A 27 33.988 26.853 17.910 1.00 49.82 C ATOM 421 CD LYS A 27 34.070 26.468 19.379 1.00 49.82 C ATOM 422 CE LYS A 27 32.732 26.658 20.079 1.00 50.21 C ATOM 423 NZ LYS A 27 32.790 26.259 21.512 1.00 49.70 N ATOM 0 H LYS A 27 34.518 25.086 15.392 1.00 49.53 H new ATOM 0 HA LYS A 27 34.793 27.965 15.673 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.612 25.597 17.309 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.083 27.236 17.714 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.689 27.897 17.822 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.218 26.258 17.419 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.384 25.428 19.467 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.830 27.073 19.873 1.00 49.82 H new ATOM 0 HE2 LYS A 27 32.430 27.703 20.006 1.00 50.21 H new ATOM 0 HE3 LYS A 27 31.969 26.069 19.569 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 31.861 25.899 21.810 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.505 25.515 21.636 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.044 27.084 22.092 1.00 49.70 H new ATOM 437 N ALA A 28 37.248 25.980 14.656 1.00 49.53 N ATOM 438 CA ALA A 28 38.576 25.959 14.030 1.00 50.07 C ATOM 439 C ALA A 28 38.539 26.783 12.757 1.00 50.51 C ATOM 440 O ALA A 28 39.574 27.425 12.368 1.00 49.49 O ATOM 441 CB ALA A 28 39.016 24.512 13.736 1.00 49.73 C ATOM 0 H ALA A 28 36.774 25.077 14.661 1.00 49.53 H new ATOM 0 HA ALA A 28 39.305 26.392 14.715 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.002 24.519 13.272 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.057 23.948 14.668 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.300 24.044 13.060 1.00 49.73 H new ATOM 447 N LYS A 29 37.410 26.852 12.066 1.00 49.53 N ATOM 448 CA LYS A 29 37.284 27.706 10.867 1.00 50.07 C ATOM 449 C LYS A 29 37.247 29.197 11.251 1.00 50.51 C ATOM 450 O LYS A 29 37.552 30.116 10.451 1.00 49.49 O ATOM 451 CB LYS A 29 36.030 27.334 10.074 1.00 49.82 C ATOM 452 CG LYS A 29 36.035 25.918 9.517 1.00 49.82 C ATOM 453 CD LYS A 29 34.760 25.623 8.741 1.00 49.82 C ATOM 454 CE LYS A 29 34.752 24.198 8.206 1.00 50.21 C ATOM 455 NZ LYS A 29 33.499 23.888 7.468 1.00 49.70 N ATOM 0 H LYS A 29 36.564 26.334 12.304 1.00 49.53 H new ATOM 0 HA LYS A 29 38.160 27.536 10.241 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.159 27.455 10.718 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.916 28.036 9.248 1.00 49.82 H new ATOM 0 HG2 LYS A 29 36.899 25.785 8.865 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.139 25.204 10.334 1.00 49.82 H new ATOM 0 HD2 LYS A 29 33.896 25.775 9.387 1.00 49.82 H new ATOM 0 HD3 LYS A 29 34.666 26.325 7.912 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.607 24.054 7.546 1.00 50.21 H new ATOM 0 HE3 LYS A 29 34.867 23.499 9.034 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 32.907 23.254 8.041 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 32.980 24.769 7.279 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 33.733 23.424 6.567 1.00 49.70 H new ATOM 469 N ILE A 30 36.933 29.457 12.520 1.00 49.53 N ATOM 470 CA ILE A 30 36.874 30.855 12.982 1.00 50.07 C ATOM 471 C ILE A 30 38.261 31.290 13.477 1.00 50.51 C ATOM 472 O ILE A 30 38.463 32.489 13.779 1.00 49.49 O ATOM 473 CB ILE A 30 35.846 31.041 14.114 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.437 30.711 13.614 1.00 49.82 C ATOM 475 CG2 ILE A 30 35.903 32.460 14.658 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.407 30.607 14.715 1.00 49.73 C ATOM 0 H ILE A 30 36.722 28.753 13.227 1.00 49.53 H new ATOM 0 HA ILE A 30 36.561 31.472 12.140 1.00 50.07 H new ATOM 0 HB ILE A 30 36.094 30.354 14.924 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.123 31.479 12.907 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.467 29.768 13.067 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.170 32.573 15.457 1.00 49.73 H new ATOM 0 HG22 ILE A 30 36.900 32.660 15.050 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.679 33.166 13.858 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.435 30.371 14.283 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.696 29.819 15.410 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.347 31.556 15.248 1.00 49.73 H new ATOM 488 N GLN A 31 39.181 30.373 13.638 1.00 49.53 N ATOM 489 CA GLN A 31 40.536 30.800 14.108 1.00 50.07 C ATOM 490 C GLN A 31 41.506 31.109 12.956 1.00 50.51 C ATOM 491 O GLN A 31 42.569 31.765 13.053 1.00 49.49 O ATOM 492 CB GLN A 31 41.146 29.724 15.010 1.00 49.82 C ATOM 493 CG GLN A 31 42.512 30.082 15.570 1.00 49.82 C ATOM 494 CD GLN A 31 43.193 28.900 16.234 1.00 50.55 C ATOM 495 OE1 GLN A 31 42.679 27.777 16.213 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.353 29.146 16.831 1.00 49.38 N ATOM 0 H GLN A 31 39.060 29.374 13.470 1.00 49.53 H new ATOM 0 HA GLN A 31 40.390 31.725 14.665 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.465 29.532 15.839 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.229 28.796 14.444 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.144 30.457 14.765 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.405 30.890 16.294 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.740 30.090 16.824 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.857 28.391 17.297 1.00 49.38 H new ATOM 505 N ASP A 32 41.149 30.575 11.812 1.00 49.53 N ATOM 506 CA ASP A 32 41.966 30.792 10.594 1.00 50.07 C ATOM 507 C ASP A 32 41.851 32.226 10.124 1.00 50.51 C ATOM 508 O ASP A 32 42.844 32.951 9.881 1.00 49.49 O ATOM 509 CB ASP A 32 41.538 29.834 9.481 1.00 49.72 C ATOM 510 CG ASP A 32 42.452 29.836 8.263 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.515 29.267 8.342 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.018 30.267 7.221 1.00 49.24 O ATOM 0 H ASP A 32 40.320 29.996 11.677 1.00 49.53 H new ATOM 0 HA ASP A 32 43.008 30.591 10.843 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.494 28.823 9.886 1.00 49.72 H new ATOM 0 HB3 ASP A 32 40.528 30.094 9.163 1.00 49.72 H new ATOM 517 N LYS A 33 40.612 32.719 9.940 1.00 49.53 N ATOM 518 CA LYS A 33 40.522 34.096 9.382 1.00 50.07 C ATOM 519 C LYS A 33 40.749 35.062 10.491 1.00 50.51 C ATOM 520 O LYS A 33 41.914 35.582 10.572 1.00 49.49 O ATOM 521 CB LYS A 33 39.160 34.333 8.730 1.00 49.82 C ATOM 522 CG LYS A 33 39.081 35.593 7.877 1.00 49.82 C ATOM 523 CD LYS A 33 37.733 35.708 7.182 1.00 49.82 C ATOM 524 CE LYS A 33 37.671 36.939 6.291 1.00 50.21 C ATOM 525 NZ LYS A 33 36.364 37.055 5.591 1.00 49.70 N ATOM 0 H LYS A 33 39.732 32.245 10.144 1.00 49.53 H new ATOM 0 HA LYS A 33 41.278 34.231 8.609 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.914 33.472 8.108 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.402 34.390 9.511 1.00 49.82 H new ATOM 0 HG2 LYS A 33 39.245 36.470 8.504 1.00 49.82 H new ATOM 0 HG3 LYS A 33 39.877 35.580 7.132 1.00 49.82 H new ATOM 0 HD2 LYS A 33 37.553 34.815 6.584 1.00 49.82 H new ATOM 0 HD3 LYS A 33 36.940 35.757 7.928 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.840 37.831 6.894 1.00 50.21 H new ATOM 0 HE3 LYS A 33 38.474 36.895 5.555 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 36.364 37.907 4.995 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 36.213 36.216 4.996 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 35.599 37.124 6.293 1.00 49.70 H new ATOM 539 N GLU A 34 39.847 35.335 11.392 1.00 49.53 N ATOM 540 CA GLU A 34 40.018 36.261 12.489 1.00 50.07 C ATOM 541 C GLU A 34 41.210 35.985 13.370 1.00 50.51 C ATOM 542 O GLU A 34 42.162 36.773 13.374 1.00 49.49 O ATOM 543 CB GLU A 34 38.749 36.294 13.345 1.00 49.82 C ATOM 544 CG GLU A 34 38.751 37.362 14.430 1.00 49.72 C ATOM 545 CD GLU A 34 38.756 38.744 13.836 1.00 50.62 C ATOM 546 OE1 GLU A 34 38.501 38.866 12.662 1.00 49.24 O ATOM 547 OE2 GLU A 34 38.902 39.687 14.577 1.00 49.24 O ATOM 0 H GLU A 34 38.925 34.899 11.385 1.00 49.53 H new ATOM 0 HA GLU A 34 40.207 37.229 12.025 1.00 50.07 H new ATOM 0 HB2 GLU A 34 37.890 36.456 12.694 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.615 35.318 13.812 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.874 37.240 15.065 1.00 49.72 H new ATOM 0 HG3 GLU A 34 39.626 37.235 15.067 1.00 49.72 H new ATOM 554 N GLY A 35 41.167 34.912 14.143 1.00 49.53 N ATOM 555 CA GLY A 35 42.269 34.503 14.972 1.00 49.98 C ATOM 556 C GLY A 35 41.863 34.149 16.348 1.00 50.51 C ATOM 557 O GLY A 35 42.727 34.081 17.262 1.00 49.49 O ATOM 0 H GLY A 35 40.354 34.300 14.207 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.761 33.645 14.513 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.003 35.308 15.012 1.00 49.98 H new ATOM 561 N ILE A 36 40.574 33.837 16.563 1.00 49.53 N ATOM 562 CA ILE A 36 40.149 33.475 17.924 1.00 50.07 C ATOM 563 C ILE A 36 40.239 32.006 18.301 1.00 50.51 C ATOM 564 O ILE A 36 39.672 31.138 17.614 1.00 49.49 O ATOM 565 CB ILE A 36 38.707 33.947 18.186 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.582 35.451 17.929 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.288 33.610 19.608 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.184 35.990 18.127 1.00 49.73 C ATOM 0 H ILE A 36 39.842 33.827 15.853 1.00 49.53 H new ATOM 0 HA ILE A 36 40.878 33.988 18.552 1.00 50.07 H new ATOM 0 HB ILE A 36 38.041 33.425 17.499 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.263 35.982 18.594 1.00 49.82 H new ATOM 0 HG13 ILE A 36 38.902 35.664 16.909 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.266 33.950 19.777 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.340 32.531 19.757 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.957 34.106 20.312 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.175 37.061 17.927 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.500 35.487 17.443 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.867 35.810 19.154 1.00 49.73 H new ATOM 580 N PRO A 37 40.925 31.705 19.398 1.00 49.71 N ATOM 581 CA PRO A 37 41.068 30.330 19.907 1.00 50.02 C ATOM 582 C PRO A 37 39.711 29.703 20.160 1.00 50.51 C ATOM 583 O PRO A 37 38.842 30.384 20.764 1.00 49.49 O ATOM 584 CB PRO A 37 41.788 30.602 21.263 1.00 49.82 C ATOM 585 CG PRO A 37 42.610 31.825 20.983 1.00 49.82 C ATOM 586 CD PRO A 37 41.620 32.717 20.247 1.00 50.00 C ATOM 0 HA PRO A 37 41.587 29.651 19.231 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.075 30.774 22.069 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.411 29.759 21.563 1.00 49.82 H new ATOM 0 HG2 PRO A 37 42.973 32.290 21.900 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.484 31.597 20.373 1.00 49.82 H new ATOM 0 HD2 PRO A 37 40.938 33.228 20.926 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.115 33.486 19.654 1.00 50.00 H new ATOM 594 N PRO A 38 39.509 28.462 19.788 1.00 49.71 N ATOM 595 CA PRO A 38 38.202 27.818 19.999 1.00 50.02 C ATOM 596 C PRO A 38 37.762 27.817 21.439 1.00 50.51 C ATOM 597 O PRO A 38 36.546 27.890 21.765 1.00 49.49 O ATOM 598 CB PRO A 38 38.379 26.435 19.380 1.00 49.82 C ATOM 599 CG PRO A 38 39.427 26.675 18.297 1.00 49.82 C ATOM 600 CD PRO A 38 40.435 27.567 19.051 1.00 50.00 C ATOM 0 HA PRO A 38 37.381 28.360 19.529 1.00 50.02 H new ATOM 0 HB2 PRO A 38 38.718 25.704 20.115 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.446 26.058 18.962 1.00 49.82 H new ATOM 0 HG2 PRO A 38 39.879 25.746 17.948 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.009 27.174 17.423 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.076 26.993 19.720 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.090 28.115 18.374 1.00 50.00 H new ATOM 608 N ASP A 39 38.685 27.741 22.367 1.00 49.53 N ATOM 609 CA ASP A 39 38.324 27.677 23.809 1.00 50.07 C ATOM 610 C ASP A 39 37.847 29.014 24.359 1.00 50.51 C ATOM 611 O ASP A 39 37.247 29.122 25.464 1.00 49.49 O ATOM 612 CB ASP A 39 39.514 27.175 24.630 1.00 49.72 C ATOM 613 CG ASP A 39 39.939 25.746 24.314 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.119 24.995 23.841 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.109 25.463 24.401 1.00 49.24 O ATOM 0 H ASP A 39 39.687 27.721 22.178 1.00 49.53 H new ATOM 0 HA ASP A 39 37.492 26.978 23.893 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.362 27.839 24.462 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.263 27.241 25.689 1.00 49.72 H new ATOM 620 N GLN A 40 38.002 30.068 23.573 1.00 49.53 N ATOM 621 CA GLN A 40 37.534 31.399 24.028 1.00 50.07 C ATOM 622 C GLN A 40 36.215 31.706 23.295 1.00 50.51 C ATOM 623 O GLN A 40 35.593 32.718 23.595 1.00 49.49 O ATOM 624 CB GLN A 40 38.576 32.479 23.727 1.00 49.82 C ATOM 625 CG GLN A 40 39.841 32.376 24.563 1.00 49.82 C ATOM 626 CD GLN A 40 40.755 33.572 24.379 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.443 34.501 23.627 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.894 33.556 25.062 1.00 49.38 N ATOM 0 H GLN A 40 38.430 30.049 22.647 1.00 49.53 H new ATOM 0 HA GLN A 40 37.380 31.391 25.107 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.846 32.424 22.672 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.125 33.458 23.890 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.571 32.287 25.615 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.378 31.467 24.293 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.112 32.768 25.672 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.551 34.332 24.976 1.00 49.38 H new ATOM 637 N GLN A 41 35.776 30.825 22.424 1.00 49.53 N ATOM 638 CA GLN A 41 34.584 31.012 21.633 1.00 50.07 C ATOM 639 C GLN A 41 33.460 30.378 22.427 1.00 50.51 C ATOM 640 O GLN A 41 33.488 29.245 22.879 1.00 49.49 O ATOM 641 CB GLN A 41 34.719 30.338 20.242 1.00 49.82 C ATOM 642 CG GLN A 41 35.878 30.913 19.395 1.00 49.82 C ATOM 643 CD GLN A 41 35.946 30.215 18.066 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.903 29.738 17.584 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.095 30.104 17.436 1.00 49.38 N ATOM 0 H GLN A 41 36.249 29.940 22.243 1.00 49.53 H new ATOM 0 HA GLN A 41 34.400 32.069 21.444 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.873 29.268 20.378 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.784 30.458 19.695 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.732 31.983 19.245 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.822 30.791 19.927 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.941 30.501 17.845 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.140 29.621 16.539 1.00 49.38 H new ATOM 654 N ARG A 42 32.328 31.081 22.441 1.00 49.53 N ATOM 655 CA ARG A 42 31.072 30.519 23.029 1.00 50.07 C ATOM 656 C ARG A 42 29.979 30.722 22.003 1.00 50.51 C ATOM 657 O ARG A 42 29.707 31.947 21.678 1.00 49.49 O ATOM 658 CB ARG A 42 30.723 31.133 24.376 1.00 49.82 C ATOM 659 CG ARG A 42 29.470 30.573 25.030 1.00 49.82 C ATOM 660 CD ARG A 42 29.329 30.908 26.470 1.00 50.20 C ATOM 661 NE ARG A 42 30.351 30.331 27.326 1.00 49.30 N ATOM 662 CZ ARG A 42 30.507 30.618 28.634 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.737 31.502 29.229 1.00 49.20 N ATOM 664 NH2 ARG A 42 31.472 30.006 29.297 1.00 49.20 N ATOM 0 H ARG A 42 32.235 32.024 22.064 1.00 49.53 H new ATOM 0 HA ARG A 42 31.203 29.459 23.244 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.564 30.988 25.054 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.598 32.208 24.247 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.597 30.947 24.495 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.471 29.489 24.920 1.00 49.82 H new ATOM 0 HD2 ARG A 42 29.349 31.992 26.581 1.00 50.20 H new ATOM 0 HD3 ARG A 42 28.351 30.570 26.814 1.00 50.20 H new ATOM 0 HE ARG A 42 30.996 29.661 26.908 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.009 31.982 28.700 1.00 49.20 H new ATOM 0 HH12 ARG A 42 29.868 31.708 30.219 1.00 49.20 H new ATOM 0 HH21 ARG A 42 32.075 29.337 28.818 1.00 49.20 H new ATOM 0 HH22 ARG A 42 31.614 30.203 30.288 1.00 49.20 H new ATOM 678 N LEU A 43 29.412 29.662 21.429 1.00 49.53 N ATOM 679 CA LEU A 43 28.375 29.823 20.379 1.00 50.07 C ATOM 680 C LEU A 43 26.991 29.551 20.957 1.00 50.51 C ATOM 681 O LEU A 43 26.872 28.705 21.854 1.00 49.49 O ATOM 682 CB LEU A 43 28.660 28.884 19.200 1.00 49.82 C ATOM 683 CG LEU A 43 29.876 29.260 18.344 1.00 49.91 C ATOM 684 CD1 LEU A 43 29.967 28.344 17.132 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.763 30.715 17.912 1.00 49.73 C ATOM 0 H LEU A 43 29.639 28.695 21.659 1.00 49.53 H new ATOM 0 HA LEU A 43 28.402 30.850 20.016 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.806 27.875 19.587 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.779 28.855 18.558 1.00 49.82 H new ATOM 0 HG LEU A 43 30.785 29.137 18.932 1.00 49.91 H new ATOM 0 HD11 LEU A 43 30.834 28.620 16.532 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.070 27.311 17.464 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.063 28.444 16.531 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.627 30.982 17.304 1.00 49.73 H new ATOM 0 HD22 LEU A 43 28.852 30.852 17.329 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.728 31.355 18.794 1.00 49.73 H new ATOM 697 N ILE A 44 26.011 30.326 20.502 1.00 49.53 N ATOM 698 CA ILE A 44 24.638 30.235 20.986 1.00 50.07 C ATOM 699 C ILE A 44 23.640 30.113 19.841 1.00 50.51 C ATOM 700 O ILE A 44 23.560 30.941 18.957 1.00 49.49 O ATOM 701 CB ILE A 44 24.264 31.454 21.849 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.175 31.539 23.076 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.804 31.380 22.269 1.00 49.73 C ATOM 704 CD1 ILE A 44 24.863 32.703 23.989 1.00 49.73 C ATOM 0 H ILE A 44 26.148 31.038 19.784 1.00 49.53 H new ATOM 0 HA ILE A 44 24.587 29.333 21.595 1.00 50.07 H new ATOM 0 HB ILE A 44 24.404 32.357 21.254 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.092 30.612 23.643 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.210 31.618 22.744 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.556 32.249 22.878 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.171 31.366 21.382 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.638 30.472 22.848 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.550 32.696 24.835 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.975 33.637 23.439 1.00 49.73 H new ATOM 0 HD13 ILE A 44 23.839 32.616 24.352 1.00 49.73 H new ATOM 716 N PHE A 45 22.833 29.020 19.909 1.00 49.53 N ATOM 717 CA PHE A 45 21.779 28.778 18.911 1.00 50.07 C ATOM 718 C PHE A 45 20.515 28.234 19.603 1.00 50.51 C ATOM 719 O PHE A 45 20.520 27.193 20.258 1.00 49.49 O ATOM 720 CB PHE A 45 22.265 27.798 17.842 1.00 49.82 C ATOM 721 CG PHE A 45 21.394 27.755 16.619 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.486 28.741 15.648 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.479 26.729 16.435 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.685 28.703 14.523 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.677 26.687 15.312 1.00 49.88 C ATOM 726 CZ PHE A 45 19.781 27.676 14.354 1.00 49.88 C ATOM 0 H PHE A 45 22.897 28.308 20.636 1.00 49.53 H new ATOM 0 HA PHE A 45 21.536 29.722 18.423 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.278 28.071 17.546 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.317 26.799 18.275 1.00 49.82 H new ATOM 0 HD1 PHE A 45 22.192 29.548 15.773 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.393 25.952 17.180 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.767 29.478 13.776 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.969 25.882 15.183 1.00 49.88 H new ATOM 0 HZ PHE A 45 19.155 27.645 13.474 1.00 49.88 H new ATOM 736 N ALA A 46 19.491 29.041 19.471 1.00 49.53 N ATOM 737 CA ALA A 46 18.144 28.733 19.991 1.00 50.07 C ATOM 738 C ALA A 46 18.055 28.633 21.506 1.00 50.51 C ATOM 739 O ALA A 46 17.253 27.871 22.065 1.00 49.49 O ATOM 740 CB ALA A 46 17.638 27.470 19.368 1.00 49.73 C ATOM 0 H ALA A 46 19.550 29.943 18.998 1.00 49.53 H new ATOM 0 HA ALA A 46 17.519 29.582 19.715 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.644 27.247 19.755 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.587 27.593 18.286 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.314 26.649 19.609 1.00 49.73 H new ATOM 746 N GLY A 47 18.921 29.367 22.143 1.00 49.53 N ATOM 747 CA GLY A 47 19.109 29.495 23.557 1.00 49.98 C ATOM 748 C GLY A 47 19.787 28.315 24.204 1.00 50.51 C ATOM 749 O GLY A 47 19.457 27.970 25.361 1.00 49.49 O ATOM 0 H GLY A 47 19.581 29.951 21.629 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.699 30.390 23.753 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.138 29.644 24.028 1.00 49.98 H new ATOM 753 N LYS A 48 20.743 27.719 23.546 1.00 49.53 N ATOM 754 CA LYS A 48 21.502 26.592 24.103 1.00 50.07 C ATOM 755 C LYS A 48 23.036 26.606 23.967 1.00 50.51 C ATOM 756 O LYS A 48 23.525 27.163 22.995 1.00 49.49 O ATOM 757 CB LYS A 48 20.972 25.284 23.514 1.00 49.82 C ATOM 758 CG LYS A 48 19.652 24.815 24.111 1.00 49.82 C ATOM 759 CD LYS A 48 19.240 23.462 23.550 1.00 49.82 C ATOM 760 CE LYS A 48 17.908 23.005 24.127 1.00 50.21 C ATOM 761 NZ LYS A 48 16.777 23.848 23.650 1.00 49.70 N ATOM 0 H LYS A 48 21.032 27.989 22.606 1.00 49.53 H new ATOM 0 HA LYS A 48 21.335 26.691 25.176 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.847 25.408 22.438 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.720 24.505 23.660 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.744 24.749 25.195 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.875 25.550 23.902 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.166 23.524 22.464 1.00 49.82 H new ATOM 0 HD3 LYS A 48 20.009 22.723 23.776 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.729 21.966 23.849 1.00 50.21 H new ATOM 0 HE3 LYS A 48 17.953 23.040 25.216 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.876 23.417 23.940 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.854 24.799 24.064 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 16.810 23.918 22.613 1.00 49.70 H new ATOM 775 N GLN A 49 23.735 26.009 24.893 1.00 49.53 N ATOM 776 CA GLN A 49 25.214 25.887 24.754 1.00 50.07 C ATOM 777 C GLN A 49 25.563 24.832 23.708 1.00 50.51 C ATOM 778 O GLN A 49 24.901 23.760 23.690 1.00 49.49 O ATOM 779 CB GLN A 49 25.854 25.520 26.096 1.00 49.82 C ATOM 780 CG GLN A 49 25.754 26.609 27.151 1.00 49.82 C ATOM 781 CD GLN A 49 26.019 26.086 28.550 1.00 50.55 C ATOM 782 OE1 GLN A 49 25.171 25.417 29.148 1.00 49.45 O ATOM 783 NE2 GLN A 49 27.197 26.391 29.082 1.00 49.38 N ATOM 0 H GLN A 49 23.345 25.600 25.742 1.00 49.53 H new ATOM 0 HA GLN A 49 25.607 26.851 24.431 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.380 24.616 26.477 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.905 25.284 25.932 1.00 49.82 H new ATOM 0 HG2 GLN A 49 26.467 27.400 26.921 1.00 49.82 H new ATOM 0 HG3 GLN A 49 24.760 27.055 27.115 1.00 49.82 H new ATOM 0 HE21 GLN A 49 27.868 26.947 28.551 1.00 49.38 H new ATOM 0 HE22 GLN A 49 27.431 26.070 30.021 1.00 49.38 H new ATOM 792 N LEU A 50 26.496 25.120 22.833 1.00 49.53 N ATOM 793 CA LEU A 50 26.848 24.213 21.728 1.00 50.07 C ATOM 794 C LEU A 50 27.905 23.175 22.072 1.00 50.51 C ATOM 795 O LEU A 50 28.935 23.566 22.585 1.00 49.49 O ATOM 796 CB LEU A 50 27.306 25.031 20.514 1.00 49.82 C ATOM 797 CG LEU A 50 26.222 25.299 19.461 1.00 49.91 C ATOM 798 CD1 LEU A 50 24.894 25.597 20.144 1.00 49.73 C ATOM 799 CD2 LEU A 50 26.647 26.464 18.578 1.00 49.73 C ATOM 0 H LEU A 50 27.040 25.982 22.852 1.00 49.53 H new ATOM 0 HA LEU A 50 25.941 23.652 21.505 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.693 25.987 20.865 1.00 49.82 H new ATOM 0 HB3 LEU A 50 28.134 24.508 20.035 1.00 49.82 H new ATOM 0 HG LEU A 50 26.094 24.414 18.837 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.131 25.786 19.389 1.00 49.73 H new ATOM 0 HD12 LEU A 50 24.598 24.743 20.753 1.00 49.73 H new ATOM 0 HD13 LEU A 50 25.001 26.476 20.780 1.00 49.73 H new ATOM 0 HD21 LEU A 50 25.877 26.654 17.830 1.00 49.73 H new ATOM 0 HD22 LEU A 50 26.784 27.354 19.192 1.00 49.73 H new ATOM 0 HD23 LEU A 50 27.585 26.219 18.079 1.00 49.73 H new ATOM 811 N GLU A 51 27.629 21.904 21.782 1.00 49.53 N ATOM 812 CA GLU A 51 28.584 20.829 22.133 1.00 50.07 C ATOM 813 C GLU A 51 29.660 20.422 21.165 1.00 50.51 C ATOM 814 O GLU A 51 29.400 20.377 19.965 1.00 49.49 O ATOM 815 CB GLU A 51 27.797 19.577 22.528 1.00 49.82 C ATOM 816 CG GLU A 51 26.807 19.790 23.664 1.00 49.72 C ATOM 817 CD GLU A 51 27.507 20.184 24.935 1.00 50.62 C ATOM 818 OE1 GLU A 51 28.390 19.471 25.349 1.00 49.24 O ATOM 819 OE2 GLU A 51 27.240 21.253 25.430 1.00 49.24 O ATOM 0 H GLU A 51 26.778 21.589 21.317 1.00 49.53 H new ATOM 0 HA GLU A 51 29.155 21.296 22.935 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.256 19.212 21.655 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.501 18.796 22.817 1.00 49.82 H new ATOM 0 HG2 GLU A 51 26.092 20.564 23.385 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.238 18.875 23.829 1.00 49.72 H new ATOM 826 N ASP A 52 30.854 20.120 21.612 1.00 49.53 N ATOM 827 CA ASP A 52 32.020 19.792 20.797 1.00 50.07 C ATOM 828 C ASP A 52 31.909 18.731 19.715 1.00 50.51 C ATOM 829 O ASP A 52 32.330 19.007 18.556 1.00 49.49 O ATOM 830 CB ASP A 52 33.184 19.419 21.719 1.00 49.72 C ATOM 831 CG ASP A 52 33.685 20.561 22.594 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.156 21.642 22.485 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.478 20.308 23.468 1.00 49.24 O ATOM 0 H ASP A 52 31.060 20.092 22.611 1.00 49.53 H new ATOM 0 HA ASP A 52 32.162 20.708 20.224 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.873 18.595 22.361 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.011 19.054 21.110 1.00 49.72 H new ATOM 838 N GLY A 53 31.494 17.536 20.068 1.00 49.53 N ATOM 839 CA GLY A 53 31.390 16.386 19.151 1.00 49.98 C ATOM 840 C GLY A 53 30.093 16.305 18.416 1.00 50.51 C ATOM 841 O GLY A 53 29.821 15.311 17.704 1.00 49.49 O ATOM 0 H GLY A 53 31.208 17.314 21.022 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.203 16.439 18.427 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.530 15.467 19.721 1.00 49.98 H new ATOM 845 N ARG A 54 29.231 17.310 18.508 1.00 49.53 N ATOM 846 CA ARG A 54 27.963 17.335 17.751 1.00 50.07 C ATOM 847 C ARG A 54 28.131 18.212 16.518 1.00 50.51 C ATOM 848 O ARG A 54 28.774 19.282 16.583 1.00 49.49 O ATOM 849 CB ARG A 54 26.784 17.778 18.604 1.00 49.82 C ATOM 850 CG ARG A 54 26.446 16.848 19.759 1.00 49.82 C ATOM 851 CD ARG A 54 25.232 17.236 20.522 1.00 50.20 C ATOM 852 NE ARG A 54 24.952 16.395 21.675 1.00 49.30 N ATOM 853 CZ ARG A 54 23.935 16.594 22.537 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.124 17.620 22.403 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.788 15.740 23.536 1.00 49.20 N ATOM 0 H ARG A 54 29.379 18.128 19.100 1.00 49.53 H new ATOM 0 HA ARG A 54 27.731 16.318 17.436 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.996 18.769 19.005 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.907 17.873 17.964 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.309 15.839 19.370 1.00 49.82 H new ATOM 0 HG3 ARG A 54 27.295 16.813 20.442 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.343 18.267 20.858 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.373 17.210 19.852 1.00 50.20 H new ATOM 0 HE ARG A 54 25.568 15.599 21.843 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.259 18.281 21.638 1.00 49.20 H new ATOM 0 HH12 ARG A 54 22.359 17.755 23.064 1.00 49.20 H new ATOM 0 HH21 ARG A 54 24.435 14.958 23.638 1.00 49.20 H new ATOM 0 HH22 ARG A 54 23.028 15.864 24.205 1.00 49.20 H new ATOM 869 N THR A 55 27.494 17.834 15.438 1.00 49.53 N ATOM 870 CA THR A 55 27.492 18.594 14.168 1.00 50.07 C ATOM 871 C THR A 55 26.343 19.630 14.215 1.00 50.51 C ATOM 872 O THR A 55 25.373 19.446 14.942 1.00 49.49 O ATOM 873 CB THR A 55 27.307 17.674 12.947 1.00 50.14 C ATOM 874 OG1 THR A 55 26.125 16.880 13.118 1.00 49.34 O ATOM 875 CG2 THR A 55 28.509 16.756 12.785 1.00 49.73 C ATOM 0 H THR A 55 26.945 16.975 15.394 1.00 49.53 H new ATOM 0 HA THR A 55 28.457 19.089 14.061 1.00 50.07 H new ATOM 0 HB THR A 55 27.212 18.294 12.055 1.00 50.14 H new ATOM 0 HG1 THR A 55 26.008 16.296 12.340 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.361 16.113 11.917 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.408 17.356 12.643 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.620 16.141 13.678 1.00 49.73 H new ATOM 883 N LEU A 56 26.495 20.680 13.434 1.00 49.53 N ATOM 884 CA LEU A 56 25.467 21.728 13.314 1.00 50.07 C ATOM 885 C LEU A 56 24.054 21.187 13.113 1.00 50.51 C ATOM 886 O LEU A 56 23.143 21.750 13.657 1.00 49.49 O ATOM 887 CB LEU A 56 25.827 22.680 12.167 1.00 49.82 C ATOM 888 CG LEU A 56 26.788 23.816 12.539 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.882 23.294 13.461 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.388 24.411 11.274 1.00 49.73 C ATOM 0 H LEU A 56 27.324 20.843 12.863 1.00 49.53 H new ATOM 0 HA LEU A 56 25.459 22.259 14.266 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.272 22.099 11.360 1.00 49.82 H new ATOM 0 HB3 LEU A 56 24.908 23.116 11.776 1.00 49.82 H new ATOM 0 HG LEU A 56 26.240 24.596 13.067 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.559 24.108 13.719 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.432 22.894 14.370 1.00 49.73 H new ATOM 0 HD13 LEU A 56 28.439 22.506 12.955 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.071 25.218 11.540 1.00 49.73 H new ATOM 0 HD22 LEU A 56 27.933 23.638 10.732 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.591 24.803 10.643 1.00 49.73 H new ATOM 902 N SER A 57 23.926 20.032 12.429 1.00 49.53 N ATOM 903 CA SER A 57 22.551 19.511 12.222 1.00 50.07 C ATOM 904 C SER A 57 21.832 19.040 13.467 1.00 50.51 C ATOM 905 O SER A 57 20.566 18.974 13.489 1.00 49.49 O ATOM 906 CB SER A 57 22.588 18.387 11.205 1.00 50.05 C ATOM 907 OG SER A 57 23.182 18.786 10.000 1.00 49.34 O ATOM 0 H SER A 57 24.687 19.477 12.037 1.00 49.53 H new ATOM 0 HA SER A 57 21.973 20.364 11.867 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.140 17.543 11.618 1.00 50.05 H new ATOM 0 HB3 SER A 57 21.573 18.041 11.011 1.00 50.05 H new ATOM 0 HG SER A 57 23.188 18.033 9.373 1.00 49.34 H new ATOM 913 N ASP A 58 22.578 18.740 14.515 1.00 49.53 N ATOM 914 CA ASP A 58 21.974 18.272 15.791 1.00 50.07 C ATOM 915 C ASP A 58 21.065 19.352 16.385 1.00 50.51 C ATOM 916 O ASP A 58 20.035 19.081 17.010 1.00 49.49 O ATOM 917 CB ASP A 58 23.064 17.888 16.794 1.00 49.72 C ATOM 918 CG ASP A 58 23.659 16.503 16.577 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.099 15.749 15.817 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.745 16.264 17.049 1.00 49.24 O ATOM 0 H ASP A 58 23.596 18.805 14.528 1.00 49.53 H new ATOM 0 HA ASP A 58 21.371 17.389 15.578 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.864 18.626 16.743 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.649 17.938 17.800 1.00 49.72 H new ATOM 925 N TYR A 59 21.550 20.560 16.357 1.00 49.53 N ATOM 926 CA TYR A 59 20.847 21.740 16.856 1.00 50.07 C ATOM 927 C TYR A 59 19.885 22.387 15.885 1.00 50.51 C ATOM 928 O TYR A 59 19.504 23.549 16.132 1.00 49.49 O ATOM 929 CB TYR A 59 21.859 22.784 17.332 1.00 49.82 C ATOM 930 CG TYR A 59 22.506 22.451 18.659 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.836 22.682 19.852 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.781 21.912 18.715 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.420 22.380 21.067 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.376 21.606 19.925 1.00 49.88 C ATOM 935 CZ TYR A 59 23.691 21.842 21.099 1.00 50.11 C ATOM 936 OH TYR A 59 24.277 21.542 22.307 1.00 49.46 O ATOM 0 H TYR A 59 22.473 20.773 15.978 1.00 49.53 H new ATOM 0 HA TYR A 59 20.230 21.371 17.675 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.637 22.892 16.577 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.359 23.749 17.415 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.842 23.105 19.830 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.320 21.728 17.797 1.00 49.88 H new ATOM 0 HE1 TYR A 59 21.885 22.564 21.987 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.370 21.185 19.951 1.00 49.88 H new ATOM 0 HH TYR A 59 24.359 22.359 22.842 1.00 49.46 H new ATOM 946 N ASN A 60 19.449 21.749 14.820 1.00 49.53 N ATOM 947 CA ASN A 60 18.508 22.420 13.900 1.00 50.07 C ATOM 948 C ASN A 60 19.067 23.693 13.278 1.00 50.51 C ATOM 949 O ASN A 60 18.319 24.633 12.946 1.00 49.49 O ATOM 950 CB ASN A 60 17.191 22.722 14.592 1.00 49.82 C ATOM 951 CG ASN A 60 16.085 23.105 13.648 1.00 50.55 C ATOM 952 OD1 ASN A 60 15.949 22.539 12.557 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.347 24.117 14.024 1.00 49.38 N ATOM 0 H ASN A 60 19.710 20.798 14.560 1.00 49.53 H new ATOM 0 HA ASN A 60 18.342 21.715 13.086 1.00 50.07 H new ATOM 0 HB2 ASN A 60 16.882 21.847 15.163 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.343 23.531 15.306 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.619 24.474 13.406 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.500 24.549 14.935 1.00 49.38 H new ATOM 960 N ILE A 61 20.362 23.720 13.038 1.00 49.53 N ATOM 961 CA ILE A 61 21.001 24.880 12.347 1.00 50.07 C ATOM 962 C ILE A 61 20.949 24.790 10.824 1.00 50.51 C ATOM 963 O ILE A 61 21.922 24.184 10.287 1.00 49.49 O ATOM 964 CB ILE A 61 22.468 25.046 12.781 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.559 25.230 14.298 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.106 26.224 12.061 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.940 24.986 14.861 1.00 49.73 C ATOM 0 H ILE A 61 21.007 22.974 13.298 1.00 49.53 H new ATOM 0 HA ILE A 61 20.415 25.748 12.649 1.00 50.07 H new ATOM 0 HB ILE A 61 23.013 24.142 12.510 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.248 26.244 14.551 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.855 24.551 14.780 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.143 26.327 12.380 1.00 49.73 H new ATOM 0 HG22 ILE A 61 23.072 26.054 10.985 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.560 27.136 12.302 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.924 25.136 15.941 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.247 23.964 14.641 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.646 25.683 14.408 1.00 49.73 H new ATOM 979 N GLN A 62 19.872 25.193 10.211 1.00 49.53 N ATOM 980 CA GLN A 62 19.676 25.091 8.735 1.00 50.07 C ATOM 981 C GLN A 62 20.294 26.213 7.896 1.00 50.51 C ATOM 982 O GLN A 62 20.918 27.131 8.458 1.00 49.49 O ATOM 983 CB GLN A 62 18.181 25.004 8.417 1.00 49.82 C ATOM 984 CG GLN A 62 17.435 23.954 9.222 1.00 49.82 C ATOM 985 CD GLN A 62 18.110 22.597 9.172 1.00 50.55 C ATOM 986 OE1 GLN A 62 18.397 22.070 8.093 1.00 49.45 O ATOM 987 NE2 GLN A 62 18.365 22.020 10.341 1.00 49.38 N ATOM 0 H GLN A 62 19.079 25.610 10.699 1.00 49.53 H new ATOM 0 HA GLN A 62 20.213 24.186 8.451 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.725 25.977 8.599 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.058 24.787 7.356 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.360 24.281 10.259 1.00 49.82 H new ATOM 0 HG3 GLN A 62 16.417 23.864 8.842 1.00 49.82 H new ATOM 0 HE21 GLN A 62 18.111 22.492 11.209 1.00 49.38 H new ATOM 0 HE22 GLN A 62 18.815 21.105 10.371 1.00 49.38 H new ATOM 996 N LYS A 63 20.155 26.144 6.573 1.00 49.53 N ATOM 997 CA LYS A 63 20.749 27.109 5.675 1.00 50.07 C ATOM 998 C LYS A 63 20.368 28.536 6.060 1.00 50.51 C ATOM 999 O LYS A 63 19.213 28.931 6.103 1.00 49.49 O ATOM 1000 CB LYS A 63 20.330 26.825 4.231 1.00 49.82 C ATOM 1001 CG LYS A 63 21.151 27.562 3.182 1.00 49.82 C ATOM 1002 CD LYS A 63 20.732 27.168 1.773 1.00 49.82 C ATOM 1003 CE LYS A 63 21.573 27.879 0.724 1.00 50.21 C ATOM 1004 NZ LYS A 63 21.174 27.501 -0.658 1.00 49.70 N ATOM 0 H LYS A 63 19.624 25.412 6.101 1.00 49.53 H new ATOM 0 HA LYS A 63 21.832 27.014 5.757 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.406 25.753 4.047 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.281 27.095 4.110 1.00 49.82 H new ATOM 0 HG2 LYS A 63 21.030 28.637 3.312 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.209 27.341 3.324 1.00 49.82 H new ATOM 0 HD2 LYS A 63 20.831 26.089 1.651 1.00 49.82 H new ATOM 0 HD3 LYS A 63 19.680 27.411 1.624 1.00 49.82 H new ATOM 0 HE2 LYS A 63 21.473 28.957 0.848 1.00 50.21 H new ATOM 0 HE3 LYS A 63 22.625 27.637 0.877 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 21.771 28.007 -1.343 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 21.294 26.476 -0.786 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 20.178 27.755 -0.813 1.00 49.70 H new ATOM 1018 N GLU A 64 21.439 29.317 6.262 1.00 49.53 N ATOM 1019 CA GLU A 64 21.395 30.710 6.625 1.00 50.07 C ATOM 1020 C GLU A 64 20.738 31.093 7.918 1.00 50.51 C ATOM 1021 O GLU A 64 20.130 32.184 8.063 1.00 49.49 O ATOM 1022 CB GLU A 64 20.745 31.508 5.492 1.00 49.82 C ATOM 1023 CG GLU A 64 21.595 31.620 4.235 1.00 49.72 C ATOM 1024 CD GLU A 64 21.001 32.599 3.260 1.00 50.62 C ATOM 1025 OE1 GLU A 64 19.961 33.140 3.550 1.00 49.24 O ATOM 1026 OE2 GLU A 64 21.642 32.892 2.279 1.00 49.24 O ATOM 0 H GLU A 64 22.392 28.965 6.169 1.00 49.53 H new ATOM 0 HA GLU A 64 22.445 30.951 6.789 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.795 31.041 5.233 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.519 32.511 5.854 1.00 49.82 H new ATOM 0 HG2 GLU A 64 22.603 31.936 4.502 1.00 49.72 H new ATOM 0 HG3 GLU A 64 21.682 30.641 3.764 1.00 49.72 H new ATOM 1033 N SER A 65 20.991 30.280 8.932 1.00 49.53 N ATOM 1034 CA SER A 65 20.539 30.532 10.306 1.00 50.07 C ATOM 1035 C SER A 65 21.614 31.412 10.986 1.00 50.51 C ATOM 1036 O SER A 65 22.788 31.332 10.642 1.00 49.49 O ATOM 1037 CB SER A 65 20.344 29.227 11.055 1.00 50.05 C ATOM 1038 OG SER A 65 21.553 28.547 11.252 1.00 49.34 O ATOM 0 H SER A 65 21.522 29.415 8.831 1.00 49.53 H new ATOM 0 HA SER A 65 19.576 31.042 10.309 1.00 50.07 H new ATOM 0 HB2 SER A 65 19.881 29.429 12.021 1.00 50.05 H new ATOM 0 HB3 SER A 65 19.656 28.590 10.499 1.00 50.05 H new ATOM 0 HG SER A 65 21.730 27.965 10.484 1.00 49.34 H new ATOM 1044 N THR A 66 21.212 32.197 11.950 1.00 49.53 N ATOM 1045 CA THR A 66 22.135 33.020 12.741 1.00 50.07 C ATOM 1046 C THR A 66 22.685 32.395 14.022 1.00 50.51 C ATOM 1047 O THR A 66 21.875 31.892 14.831 1.00 49.49 O ATOM 1048 CB THR A 66 21.482 34.364 13.110 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.283 35.144 11.924 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.365 35.139 14.078 1.00 49.73 C ATOM 0 H THR A 66 20.234 32.295 12.222 1.00 49.53 H new ATOM 0 HA THR A 66 22.990 33.139 12.076 1.00 50.07 H new ATOM 0 HB THR A 66 20.523 34.164 13.588 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.866 35.999 12.161 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.887 36.086 14.328 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.509 34.555 14.987 1.00 49.73 H new ATOM 0 HG23 THR A 66 23.332 35.332 13.614 1.00 49.73 H new ATOM 1058 N LEU A 67 24.014 32.313 14.153 1.00 49.53 N ATOM 1059 CA LEU A 67 24.606 31.824 15.404 1.00 50.07 C ATOM 1060 C LEU A 67 25.178 33.076 16.100 1.00 50.51 C ATOM 1061 O LEU A 67 25.637 33.934 15.330 1.00 49.49 O ATOM 1062 CB LEU A 67 25.703 30.787 15.125 1.00 49.82 C ATOM 1063 CG LEU A 67 25.199 29.370 14.820 1.00 49.91 C ATOM 1064 CD1 LEU A 67 24.707 29.290 13.383 1.00 49.73 C ATOM 1065 CD2 LEU A 67 26.320 28.370 15.064 1.00 49.73 C ATOM 0 H LEU A 67 24.685 32.571 13.430 1.00 49.53 H new ATOM 0 HA LEU A 67 23.872 31.319 16.031 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.301 31.132 14.282 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.366 30.742 15.989 1.00 49.82 H new ATOM 0 HG LEU A 67 24.365 29.130 15.479 1.00 49.91 H new ATOM 0 HD11 LEU A 67 24.351 28.281 13.176 1.00 49.73 H new ATOM 0 HD12 LEU A 67 23.892 29.999 13.237 1.00 49.73 H new ATOM 0 HD13 LEU A 67 25.525 29.533 12.704 1.00 49.73 H new ATOM 0 HD21 LEU A 67 25.963 27.363 14.848 1.00 49.73 H new ATOM 0 HD22 LEU A 67 27.164 28.603 14.414 1.00 49.73 H new ATOM 0 HD23 LEU A 67 26.638 28.426 16.105 1.00 49.73 H new ATOM 1077 N HIS A 68 25.014 33.184 17.370 1.00 49.53 N ATOM 1078 CA HIS A 68 25.589 34.351 18.081 1.00 50.07 C ATOM 1079 C HIS A 68 27.063 34.030 18.327 1.00 50.51 C ATOM 1080 O HIS A 68 27.477 32.853 18.279 1.00 49.49 O ATOM 1081 CB HIS A 68 24.861 34.613 19.404 1.00 49.92 C ATOM 1082 CG HIS A 68 23.539 35.296 19.238 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.351 34.603 19.149 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.219 36.608 19.143 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.355 35.460 19.008 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.856 36.682 19.001 1.00 49.64 N ATOM 0 H HIS A 68 24.508 32.519 17.955 1.00 49.53 H new ATOM 0 HA HIS A 68 25.478 35.256 17.484 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.708 33.664 19.918 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.498 35.224 20.044 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.907 37.440 19.173 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.310 35.205 18.914 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.317 37.542 18.905 1.00 49.64 H new ATOM 1094 N LEU A 69 27.828 35.031 18.731 1.00 49.53 N ATOM 1095 CA LEU A 69 29.235 34.842 19.072 1.00 50.07 C ATOM 1096 C LEU A 69 29.398 35.519 20.400 1.00 50.51 C ATOM 1097 O LEU A 69 29.051 36.750 20.488 1.00 49.49 O ATOM 1098 CB LEU A 69 30.150 35.463 18.008 1.00 49.82 C ATOM 1099 CG LEU A 69 31.653 35.334 18.286 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.089 33.883 18.135 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.425 36.231 17.329 1.00 49.73 C ATOM 0 H LEU A 69 27.498 35.991 18.832 1.00 49.53 H new ATOM 0 HA LEU A 69 29.512 33.789 19.116 1.00 50.07 H new ATOM 0 HB2 LEU A 69 29.933 34.996 17.047 1.00 49.82 H new ATOM 0 HB3 LEU A 69 29.904 36.520 17.912 1.00 49.82 H new ATOM 0 HG LEU A 69 31.862 35.648 19.308 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.158 33.802 18.334 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.539 33.262 18.843 1.00 49.73 H new ATOM 0 HD13 LEU A 69 31.883 33.545 17.120 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.493 36.140 17.526 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.219 35.930 16.302 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.117 37.267 17.473 1.00 49.73 H new ATOM 1113 N VAL A 70 29.799 34.832 21.420 1.00 49.53 N ATOM 1114 CA VAL A 70 30.079 35.484 22.733 1.00 50.07 C ATOM 1115 C VAL A 70 31.570 35.181 22.946 1.00 50.51 C ATOM 1116 O VAL A 70 32.061 34.150 22.431 1.00 49.49 O ATOM 1117 CB VAL A 70 29.239 34.894 23.882 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.612 35.551 25.203 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.755 35.070 23.601 1.00 49.73 C ATOM 0 H VAL A 70 29.950 33.823 21.407 1.00 49.53 H new ATOM 0 HA VAL A 70 29.831 36.545 22.728 1.00 50.07 H new ATOM 0 HB VAL A 70 29.452 33.827 23.954 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.010 35.123 26.005 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.668 35.378 25.410 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.426 36.623 25.142 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.177 34.648 24.423 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.526 36.131 23.504 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.497 34.557 22.674 1.00 49.73 H new ATOM 1129 N LEU A 71 32.273 36.051 23.631 1.00 49.53 N ATOM 1130 CA LEU A 71 33.708 35.820 23.911 1.00 50.07 C ATOM 1131 C LEU A 71 33.940 35.205 25.266 1.00 50.51 C ATOM 1132 O LEU A 71 33.162 35.426 26.217 1.00 49.49 O ATOM 1133 CB LEU A 71 34.485 37.138 23.791 1.00 49.82 C ATOM 1134 CG LEU A 71 34.430 37.803 22.410 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.152 39.143 22.448 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.059 36.880 21.376 1.00 49.73 C ATOM 0 H LEU A 71 31.899 36.921 24.009 1.00 49.53 H new ATOM 0 HA LEU A 71 34.071 35.108 23.169 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.097 37.839 24.530 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.528 36.951 24.046 1.00 49.82 H new ATOM 0 HG LEU A 71 33.391 37.983 22.133 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.108 39.608 21.463 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.672 39.794 23.179 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.193 38.987 22.729 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.020 37.353 20.395 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.098 36.687 21.645 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.511 35.938 21.347 1.00 49.73 H new ATOM 1148 N ARG A 72 34.987 34.483 25.414 1.00 49.53 N ATOM 1149 CA ARG A 72 35.378 33.864 26.699 1.00 50.07 C ATOM 1150 C ARG A 72 36.776 34.379 27.029 1.00 50.51 C ATOM 1151 O ARG A 72 37.703 33.742 26.434 1.00 49.49 O ATOM 1152 CB ARG A 72 35.313 32.344 26.667 1.00 49.82 C ATOM 1153 CG ARG A 72 35.596 31.664 27.997 1.00 49.82 C ATOM 1154 CD ARG A 72 35.236 30.224 28.036 1.00 50.20 C ATOM 1155 NE ARG A 72 35.526 29.564 29.300 1.00 49.30 N ATOM 1156 CZ ARG A 72 35.280 28.265 29.559 1.00 50.64 C ATOM 1157 NH1 ARG A 72 34.709 27.492 28.662 1.00 49.20 N ATOM 1158 NH2 ARG A 72 35.609 27.793 30.749 1.00 49.20 N ATOM 0 H ARG A 72 35.633 34.280 24.651 1.00 49.53 H new ATOM 0 HA ARG A 72 34.672 34.146 27.480 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.322 32.044 26.326 1.00 49.82 H new ATOM 0 HB3 ARG A 72 36.028 31.980 25.930 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.657 31.768 28.226 1.00 49.82 H new ATOM 0 HG3 ARG A 72 35.048 32.185 28.782 1.00 49.82 H new ATOM 0 HD2 ARG A 72 34.172 30.123 27.823 1.00 50.20 H new ATOM 0 HD3 ARG A 72 35.771 29.707 27.239 1.00 50.20 H new ATOM 0 HE ARG A 72 35.945 30.124 30.042 1.00 49.30 H new ATOM 0 HH11 ARG A 72 34.445 27.874 27.754 1.00 49.20 H new ATOM 0 HH12 ARG A 72 34.530 26.511 28.874 1.00 49.20 H new ATOM 0 HH21 ARG A 72 36.037 28.408 31.441 1.00 49.20 H new ATOM 0 HH22 ARG A 72 35.435 26.814 30.975 1.00 49.20 H new ATOM 1172 N LEU A 73 36.942 35.371 27.841 1.00 49.53 N ATOM 1173 CA LEU A 73 38.309 35.869 28.137 1.00 50.07 C ATOM 1174 C LEU A 73 38.997 35.111 29.264 1.00 50.51 C ATOM 1175 O LEU A 73 38.391 34.818 30.306 1.00 49.49 O ATOM 1176 CB LEU A 73 38.259 37.365 28.469 1.00 49.82 C ATOM 1177 CG LEU A 73 37.923 38.285 27.288 1.00 49.91 C ATOM 1178 CD1 LEU A 73 37.599 39.685 27.791 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.096 38.317 26.319 1.00 49.73 C ATOM 0 H LEU A 73 36.188 35.865 28.318 1.00 49.53 H new ATOM 0 HA LEU A 73 38.903 35.700 27.239 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.519 37.522 29.253 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.225 37.663 28.878 1.00 49.82 H new ATOM 0 HG LEU A 73 37.047 37.901 26.766 1.00 49.91 H new ATOM 0 HD11 LEU A 73 37.362 40.330 26.945 1.00 49.73 H new ATOM 0 HD12 LEU A 73 36.743 39.641 28.464 1.00 49.73 H new ATOM 0 HD13 LEU A 73 38.460 40.088 28.325 1.00 49.73 H new ATOM 0 HD21 LEU A 73 38.857 38.971 25.480 1.00 49.73 H new ATOM 0 HD22 LEU A 73 39.981 38.693 26.832 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.291 37.310 25.950 1.00 49.73 H new ATOM 1191 N ARG A 74 40.252 34.784 28.997 1.00 49.53 N ATOM 1192 CA ARG A 74 41.090 34.040 29.952 1.00 50.07 C ATOM 1193 C ARG A 74 41.746 34.942 30.994 1.00 50.51 C ATOM 1194 O ARG A 74 42.929 35.303 30.870 1.00 49.49 O ATOM 1195 CB ARG A 74 42.125 33.176 29.246 1.00 49.82 C ATOM 1196 CG ARG A 74 41.555 31.981 28.497 1.00 49.82 C ATOM 1197 CD ARG A 74 42.581 31.061 27.943 1.00 50.20 C ATOM 1198 NE ARG A 74 43.298 30.285 28.943 1.00 49.30 N ATOM 1199 CZ ARG A 74 44.439 29.606 28.711 1.00 50.64 C ATOM 1200 NH1 ARG A 74 44.975 29.572 27.512 1.00 49.20 N ATOM 1201 NH2 ARG A 74 44.992 28.954 29.719 1.00 49.20 N ATOM 0 H ARG A 74 40.724 35.020 28.124 1.00 49.53 H new ATOM 0 HA ARG A 74 40.412 33.378 30.491 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.678 33.798 28.542 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.842 32.816 29.984 1.00 49.82 H new ATOM 0 HG2 ARG A 74 40.907 31.420 29.171 1.00 49.82 H new ATOM 0 HG3 ARG A 74 40.930 32.343 27.681 1.00 49.82 H new ATOM 0 HD2 ARG A 74 42.098 30.375 27.247 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.301 31.644 27.369 1.00 50.20 H new ATOM 0 HE ARG A 74 42.910 30.252 29.886 1.00 49.30 H new ATOM 0 HH11 ARG A 74 44.527 30.064 26.739 1.00 49.20 H new ATOM 0 HH12 ARG A 74 45.839 29.053 27.354 1.00 49.20 H new ATOM 0 HH21 ARG A 74 44.555 28.974 30.640 1.00 49.20 H new ATOM 0 HH22 ARG A 74 45.856 28.431 29.575 1.00 49.20 H new ATOM 1215 N GLY A 75 40.961 35.269 32.015 1.00 49.53 N ATOM 1216 CA GLY A 75 41.401 36.109 33.121 1.00 49.98 C ATOM 1217 C GLY A 75 40.624 37.408 33.047 1.00 50.51 C ATOM 1218 O GLY A 75 39.643 37.553 32.298 1.00 49.49 O ATOM 0 H GLY A 75 39.994 34.956 32.098 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.224 35.611 34.074 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.472 36.299 33.055 1.00 49.98 H new ATOM 1222 N GLY A 76 41.000 38.303 33.943 1.00 49.53 N ATOM 1223 CA GLY A 76 40.421 39.648 34.075 1.00 49.98 C ATOM 1224 C GLY A 76 40.098 39.804 35.570 1.00 50.51 C ATOM 1225 O GLY A 76 39.001 40.327 35.848 1.00 49.49 O ATOM 0 H GLY A 76 41.737 38.119 34.623 1.00 49.53 H new ATOM 0 HA2 GLY A 76 41.123 40.413 33.742 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.523 39.752 33.465 1.00 49.98 H new TER 1229 GLY A 76