USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0.892 (180deg=0.803) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -56:sc= -1.55! 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 21:sc= 0.311 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= -0.625 X(o=-0.63,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= -1.56 (180deg=-2.29!) USER MOD Single : A 31 GLN : amide:sc= -0.774 K(o=-0.77,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= 0.234 (180deg=-1.16) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -0.131 K(o=-0.13,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.013 (180deg=-0.146) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -80:sc= 0.8 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.549 USER MOD Single : A 60 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.038) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00535 X(o=-0.0053,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.026 24.843 2.623 1.00 49.53 N ATOM 2 CA MET A 1 25.940 25.794 2.917 1.00 50.07 C ATOM 3 C MET A 1 26.607 27.041 3.546 1.00 50.51 C ATOM 4 O MET A 1 27.671 26.904 4.150 1.00 49.49 O ATOM 5 CB MET A 1 24.918 25.178 3.871 1.00 49.82 C ATOM 6 CG MET A 1 24.112 24.032 3.275 1.00 49.86 C ATOM 7 SD MET A 1 22.790 23.472 4.366 1.00 49.91 S ATOM 8 CE MET A 1 22.179 22.056 3.458 1.00 49.78 C ATOM 0 H1 MET A 1 26.639 24.019 2.120 1.00 49.53 H new ATOM 0 H2 MET A 1 27.742 25.307 2.029 1.00 49.53 H new ATOM 0 H3 MET A 1 27.464 24.531 3.513 1.00 49.53 H new ATOM 0 HA MET A 1 25.396 26.059 2.011 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.439 24.817 4.758 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.230 25.957 4.200 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.683 24.350 2.325 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.779 23.197 3.060 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.355 21.600 4.007 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.828 22.377 2.477 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.981 21.328 3.336 1.00 49.78 H new ATOM 18 N GLN A 2 25.947 28.146 3.367 1.00 49.53 N ATOM 19 CA GLN A 2 26.476 29.413 3.964 1.00 50.07 C ATOM 20 C GLN A 2 25.669 29.729 5.214 1.00 50.51 C ATOM 21 O GLN A 2 24.409 29.656 5.251 1.00 49.49 O ATOM 22 CB GLN A 2 26.382 30.570 2.965 1.00 49.82 C ATOM 23 CG GLN A 2 27.266 30.408 1.741 1.00 49.82 C ATOM 24 CD GLN A 2 26.943 31.420 0.658 1.00 50.55 C ATOM 25 OE1 GLN A 2 26.079 32.284 0.832 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.635 31.317 -0.472 1.00 49.38 N ATOM 0 H GLN A 2 25.077 28.234 2.843 1.00 49.53 H new ATOM 0 HA GLN A 2 27.528 29.283 4.219 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.346 30.672 2.641 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.650 31.497 3.473 1.00 49.82 H new ATOM 0 HG2 GLN A 2 28.311 30.514 2.034 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.147 29.401 1.341 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.340 30.587 -0.573 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.461 31.968 -1.238 1.00 49.38 H new ATOM 35 N ILE A 3 26.387 30.031 6.286 1.00 49.53 N ATOM 36 CA ILE A 3 25.737 30.500 7.525 1.00 50.07 C ATOM 37 C ILE A 3 26.349 31.832 8.053 1.00 50.51 C ATOM 38 O ILE A 3 27.429 32.147 7.582 1.00 49.49 O ATOM 39 CB ILE A 3 25.822 29.438 8.637 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.283 29.125 8.966 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.083 28.174 8.223 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.472 28.408 10.283 1.00 49.73 C ATOM 0 H ILE A 3 27.404 29.965 6.335 1.00 49.53 H new ATOM 0 HA ILE A 3 24.694 30.679 7.265 1.00 50.07 H new ATOM 0 HB ILE A 3 25.346 29.836 9.533 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.703 28.514 8.167 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.849 30.056 8.986 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.153 27.434 9.020 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.035 28.409 8.038 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.531 27.772 7.314 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.533 28.221 10.446 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.084 29.026 11.093 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.935 27.459 10.261 1.00 49.73 H new ATOM 54 N PHE A 4 25.596 32.440 8.938 1.00 49.53 N ATOM 55 CA PHE A 4 26.113 33.737 9.516 1.00 50.07 C ATOM 56 C PHE A 4 26.571 33.705 10.947 1.00 50.51 C ATOM 57 O PHE A 4 25.867 33.051 11.731 1.00 49.49 O ATOM 58 CB PHE A 4 25.051 34.827 9.357 1.00 49.82 C ATOM 59 CG PHE A 4 24.615 35.046 7.936 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.295 35.936 7.117 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.526 34.363 7.416 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.895 36.140 5.810 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.126 34.565 6.109 1.00 49.88 C ATOM 64 CZ PHE A 4 23.810 35.453 5.306 1.00 49.88 C ATOM 0 H PHE A 4 24.689 32.121 9.277 1.00 49.53 H new ATOM 0 HA PHE A 4 27.016 33.943 8.941 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.181 34.564 9.958 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.442 35.763 9.756 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.146 36.475 7.505 1.00 49.88 H new ATOM 0 HD2 PHE A 4 22.985 33.666 8.039 1.00 49.88 H new ATOM 0 HE1 PHE A 4 25.432 36.837 5.183 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.276 34.027 5.716 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.497 35.610 4.284 1.00 49.88 H new ATOM 74 N VAL A 5 27.640 34.392 11.336 1.00 49.53 N ATOM 75 CA VAL A 5 28.053 34.450 12.724 1.00 50.07 C ATOM 76 C VAL A 5 27.933 35.935 13.145 1.00 50.51 C ATOM 77 O VAL A 5 28.611 36.699 12.447 1.00 49.49 O ATOM 78 CB VAL A 5 29.499 33.960 12.927 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.853 33.940 14.406 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.683 32.578 12.317 1.00 49.73 C ATOM 0 H VAL A 5 28.237 34.919 10.699 1.00 49.53 H new ATOM 0 HA VAL A 5 27.425 33.795 13.328 1.00 50.07 H new ATOM 0 HB VAL A 5 30.171 34.653 12.422 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.878 33.591 14.530 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.760 34.946 14.816 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.175 33.269 14.933 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.710 32.247 12.469 1.00 49.73 H new ATOM 0 HG22 VAL A 5 29.001 31.875 12.795 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.470 32.620 11.249 1.00 49.73 H new ATOM 90 N LYS A 6 27.136 36.210 14.118 1.00 49.53 N ATOM 91 CA LYS A 6 26.933 37.634 14.557 1.00 50.07 C ATOM 92 C LYS A 6 27.573 37.932 15.885 1.00 50.51 C ATOM 93 O LYS A 6 27.186 37.341 16.920 1.00 49.49 O ATOM 94 CB LYS A 6 25.440 37.961 14.615 1.00 49.82 C ATOM 95 CG LYS A 6 25.129 39.420 14.925 1.00 49.82 C ATOM 96 CD LYS A 6 23.646 39.623 15.199 1.00 49.82 C ATOM 97 CE LYS A 6 23.334 41.079 15.511 1.00 50.21 C ATOM 98 NZ LYS A 6 21.884 41.295 15.764 1.00 49.70 N ATOM 0 H LYS A 6 26.604 35.517 14.644 1.00 49.53 H new ATOM 0 HA LYS A 6 27.423 38.265 13.815 1.00 50.07 H new ATOM 0 HB2 LYS A 6 24.985 37.700 13.659 1.00 49.82 H new ATOM 0 HB3 LYS A 6 24.972 37.333 15.373 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.708 39.742 15.791 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.435 40.045 14.086 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.067 39.303 14.333 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.340 38.996 16.036 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.905 41.393 16.384 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.654 41.705 14.678 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 21.714 42.300 15.973 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 21.340 41.019 14.922 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 21.583 40.717 16.575 1.00 49.70 H new ATOM 112 N THR A 7 28.557 38.858 15.902 1.00 49.53 N ATOM 113 CA THR A 7 29.228 39.201 17.166 1.00 50.07 C ATOM 114 C THR A 7 28.395 40.259 17.893 1.00 50.51 C ATOM 115 O THR A 7 27.338 40.618 17.369 1.00 49.49 O ATOM 116 CB THR A 7 30.653 39.736 16.933 1.00 50.14 C ATOM 117 OG1 THR A 7 30.591 40.958 16.186 1.00 49.34 O ATOM 118 CG2 THR A 7 31.487 38.720 16.168 1.00 49.73 C ATOM 0 H THR A 7 28.893 39.364 15.082 1.00 49.53 H new ATOM 0 HA THR A 7 29.312 38.296 17.767 1.00 50.07 H new ATOM 0 HB THR A 7 31.119 39.917 17.901 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.106 40.805 15.348 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.491 39.116 16.013 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.547 37.794 16.740 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.022 38.521 15.202 1.00 49.73 H new ATOM 126 N LEU A 8 28.885 40.781 18.996 1.00 49.53 N ATOM 127 CA LEU A 8 28.119 41.778 19.777 1.00 50.07 C ATOM 128 C LEU A 8 28.204 43.235 19.371 1.00 50.51 C ATOM 129 O LEU A 8 27.428 44.062 19.887 1.00 49.49 O ATOM 130 CB LEU A 8 28.501 41.652 21.258 1.00 49.82 C ATOM 131 CG LEU A 8 28.155 40.306 21.909 1.00 49.91 C ATOM 132 CD1 LEU A 8 28.477 40.349 23.397 1.00 49.73 C ATOM 133 CD2 LEU A 8 26.683 39.996 21.685 1.00 49.73 C ATOM 0 H LEU A 8 29.799 40.547 19.384 1.00 49.53 H new ATOM 0 HA LEU A 8 27.082 41.518 19.564 1.00 50.07 H new ATOM 0 HB2 LEU A 8 29.574 41.820 21.356 1.00 49.82 H new ATOM 0 HB3 LEU A 8 28.002 42.446 21.814 1.00 49.82 H new ATOM 0 HG LEU A 8 28.752 39.517 21.453 1.00 49.91 H new ATOM 0 HD11 LEU A 8 28.228 39.390 23.851 1.00 49.73 H new ATOM 0 HD12 LEU A 8 29.539 40.551 23.534 1.00 49.73 H new ATOM 0 HD13 LEU A 8 27.894 41.138 23.873 1.00 49.73 H new ATOM 0 HD21 LEU A 8 26.438 39.040 22.148 1.00 49.73 H new ATOM 0 HD22 LEU A 8 26.074 40.782 22.131 1.00 49.73 H new ATOM 0 HD23 LEU A 8 26.481 39.944 20.615 1.00 49.73 H new ATOM 145 N THR A 9 29.113 43.573 18.437 1.00 49.53 N ATOM 146 CA THR A 9 29.158 45.028 18.067 1.00 50.07 C ATOM 147 C THR A 9 28.946 45.364 16.624 1.00 50.51 C ATOM 148 O THR A 9 29.530 46.320 16.080 1.00 49.49 O ATOM 149 CB THR A 9 30.490 45.660 18.512 1.00 50.14 C ATOM 150 OG1 THR A 9 31.581 44.965 17.892 1.00 49.34 O ATOM 151 CG2 THR A 9 30.639 45.583 20.024 1.00 49.73 C ATOM 0 H THR A 9 29.766 42.950 17.961 1.00 49.53 H new ATOM 0 HA THR A 9 28.300 45.441 18.598 1.00 50.07 H new ATOM 0 HB THR A 9 30.497 46.707 18.210 1.00 50.14 H new ATOM 0 HG1 THR A 9 32.428 45.368 18.174 1.00 49.34 H new ATOM 0 HG21 THR A 9 31.586 46.034 20.320 1.00 49.73 H new ATOM 0 HG22 THR A 9 29.817 46.120 20.498 1.00 49.73 H new ATOM 0 HG23 THR A 9 30.620 44.540 20.339 1.00 49.73 H new ATOM 159 N GLY A 10 28.311 44.507 15.886 1.00 49.53 N ATOM 160 CA GLY A 10 28.032 44.702 14.481 1.00 49.98 C ATOM 161 C GLY A 10 28.971 44.094 13.481 1.00 50.51 C ATOM 162 O GLY A 10 29.063 44.569 12.329 1.00 49.49 O ATOM 0 H GLY A 10 27.958 43.621 16.248 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.034 44.310 14.282 1.00 49.98 H new ATOM 0 HA3 GLY A 10 27.996 45.775 14.294 1.00 49.98 H new ATOM 166 N LYS A 11 29.693 43.087 13.902 1.00 49.53 N ATOM 167 CA LYS A 11 30.568 42.329 13.019 1.00 50.07 C ATOM 168 C LYS A 11 29.850 41.016 12.629 1.00 50.51 C ATOM 169 O LYS A 11 29.516 40.274 13.547 1.00 49.49 O ATOM 170 CB LYS A 11 31.906 42.030 13.699 1.00 49.82 C ATOM 171 CG LYS A 11 32.978 41.486 12.764 1.00 49.82 C ATOM 172 CD LYS A 11 34.350 41.512 13.422 1.00 49.82 C ATOM 173 CE LYS A 11 35.422 40.966 12.490 1.00 50.21 C ATOM 174 NZ LYS A 11 36.769 40.983 13.121 1.00 49.70 N ATOM 0 H LYS A 11 29.697 42.762 14.869 1.00 49.53 H new ATOM 0 HA LYS A 11 30.782 42.915 12.125 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.276 42.944 14.164 1.00 49.82 H new ATOM 0 HB3 LYS A 11 31.740 41.310 14.500 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.729 40.464 12.477 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.000 42.078 11.849 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.599 42.534 13.707 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.327 40.922 14.338 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.168 39.945 12.204 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.443 41.558 11.575 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 37.470 40.603 12.453 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 37.023 41.960 13.371 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 36.757 40.398 13.981 1.00 49.70 H new ATOM 188 N THR A 12 29.704 40.787 11.338 1.00 49.53 N ATOM 189 CA THR A 12 29.101 39.503 10.932 1.00 50.07 C ATOM 190 C THR A 12 30.097 38.841 9.982 1.00 50.51 C ATOM 191 O THR A 12 30.613 39.572 9.133 1.00 49.49 O ATOM 192 CB THR A 12 27.747 39.693 10.224 1.00 50.14 C ATOM 193 OG1 THR A 12 26.869 40.455 11.064 1.00 49.34 O ATOM 194 CG2 THR A 12 27.109 38.346 9.922 1.00 49.73 C ATOM 0 H THR A 12 29.971 41.419 10.583 1.00 49.53 H new ATOM 0 HA THR A 12 28.903 38.892 11.812 1.00 50.07 H new ATOM 0 HB THR A 12 27.916 40.222 9.286 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.008 40.577 10.612 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.153 38.500 9.422 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.768 37.768 9.274 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.948 37.803 10.853 1.00 49.73 H new ATOM 202 N ILE A 13 30.324 37.543 10.183 1.00 49.53 N ATOM 203 CA ILE A 13 31.294 36.913 9.240 1.00 50.07 C ATOM 204 C ILE A 13 30.512 35.782 8.632 1.00 50.51 C ATOM 205 O ILE A 13 29.521 35.321 9.230 1.00 49.49 O ATOM 206 CB ILE A 13 32.549 36.376 9.952 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.157 35.382 11.049 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.363 37.522 10.534 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.329 34.633 11.642 1.00 49.73 C ATOM 0 H ILE A 13 29.911 36.948 10.901 1.00 49.53 H new ATOM 0 HA ILE A 13 31.669 37.631 8.511 1.00 50.07 H new ATOM 0 HB ILE A 13 33.166 35.855 9.220 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.641 35.919 11.845 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.449 34.663 10.638 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.246 37.124 11.034 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.671 38.193 9.732 1.00 49.73 H new ATOM 0 HG23 ILE A 13 32.756 38.071 11.254 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.972 33.949 12.411 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.833 34.067 10.859 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.028 35.343 12.084 1.00 49.73 H new ATOM 221 N THR A 14 30.849 35.378 7.428 1.00 49.53 N ATOM 222 CA THR A 14 30.091 34.226 6.856 1.00 50.07 C ATOM 223 C THR A 14 31.062 33.094 6.643 1.00 50.51 C ATOM 224 O THR A 14 32.144 33.294 6.031 1.00 49.49 O ATOM 225 CB THR A 14 29.413 34.586 5.521 1.00 50.14 C ATOM 226 OG1 THR A 14 30.409 34.988 4.570 1.00 49.34 O ATOM 227 CG2 THR A 14 28.418 35.719 5.717 1.00 49.73 C ATOM 0 H THR A 14 31.582 35.777 6.842 1.00 49.53 H new ATOM 0 HA THR A 14 29.300 33.944 7.551 1.00 50.07 H new ATOM 0 HB THR A 14 28.881 33.709 5.152 1.00 50.14 H new ATOM 0 HG1 THR A 14 31.283 34.639 4.844 1.00 49.34 H new ATOM 0 HG21 THR A 14 27.949 35.960 4.763 1.00 49.73 H new ATOM 0 HG22 THR A 14 27.653 35.412 6.431 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.938 36.598 6.098 1.00 49.73 H new ATOM 235 N LEU A 15 30.675 31.865 6.944 1.00 49.53 N ATOM 236 CA LEU A 15 31.544 30.720 6.787 1.00 50.07 C ATOM 237 C LEU A 15 30.799 29.692 5.928 1.00 50.51 C ATOM 238 O LEU A 15 29.622 29.520 6.216 1.00 49.49 O ATOM 239 CB LEU A 15 31.918 30.129 8.153 1.00 49.82 C ATOM 240 CG LEU A 15 32.476 31.134 9.168 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.859 30.417 10.456 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.679 31.846 8.569 1.00 49.73 C ATOM 0 H LEU A 15 29.748 31.638 7.304 1.00 49.53 H new ATOM 0 HA LEU A 15 32.476 31.012 6.303 1.00 50.07 H new ATOM 0 HB2 LEU A 15 31.034 29.657 8.581 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.657 29.342 8.001 1.00 49.82 H new ATOM 0 HG LEU A 15 31.712 31.875 9.404 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.254 31.139 11.171 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.979 29.933 10.879 1.00 49.73 H new ATOM 0 HD13 LEU A 15 33.619 29.665 10.242 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.075 32.560 9.291 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.449 31.115 8.322 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.376 32.374 7.665 1.00 49.73 H new ATOM 254 N GLU A 16 31.525 29.095 5.013 1.00 49.53 N ATOM 255 CA GLU A 16 30.876 27.984 4.242 1.00 50.07 C ATOM 256 C GLU A 16 31.240 26.657 4.870 1.00 50.51 C ATOM 257 O GLU A 16 32.392 26.474 5.260 1.00 49.49 O ATOM 258 CB GLU A 16 31.310 28.018 2.774 1.00 49.82 C ATOM 259 CG GLU A 16 31.002 29.324 2.058 1.00 49.72 C ATOM 260 CD GLU A 16 31.601 29.345 0.679 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.798 29.239 0.569 1.00 49.24 O ATOM 262 OE2 GLU A 16 30.853 29.355 -0.272 1.00 49.24 O ATOM 0 H GLU A 16 32.492 29.313 4.773 1.00 49.53 H new ATOM 0 HA GLU A 16 29.794 28.113 4.275 1.00 50.07 H new ATOM 0 HB2 GLU A 16 32.383 27.833 2.721 1.00 49.82 H new ATOM 0 HB3 GLU A 16 30.819 27.202 2.244 1.00 49.82 H new ATOM 0 HG2 GLU A 16 29.922 29.458 1.990 1.00 49.72 H new ATOM 0 HG3 GLU A 16 31.391 30.160 2.639 1.00 49.72 H new ATOM 269 N VAL A 17 30.194 25.860 5.034 1.00 49.53 N ATOM 270 CA VAL A 17 30.312 24.550 5.662 1.00 50.07 C ATOM 271 C VAL A 17 29.653 23.421 4.856 1.00 50.51 C ATOM 272 O VAL A 17 28.955 23.655 3.843 1.00 49.49 O ATOM 273 CB VAL A 17 29.711 24.557 7.080 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.459 25.539 7.970 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.232 24.907 7.030 1.00 49.73 C ATOM 0 H VAL A 17 29.247 26.099 4.739 1.00 49.53 H new ATOM 0 HA VAL A 17 31.383 24.350 5.704 1.00 50.07 H new ATOM 0 HB VAL A 17 29.815 23.558 7.503 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.021 25.531 8.968 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.508 25.248 8.031 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.384 26.542 7.549 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.824 24.907 8.041 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.107 25.895 6.588 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.704 24.170 6.426 1.00 49.73 H new ATOM 285 N GLU A 18 29.941 22.233 5.338 1.00 49.53 N ATOM 286 CA GLU A 18 29.356 20.989 4.832 1.00 50.07 C ATOM 287 C GLU A 18 28.677 20.208 5.947 1.00 50.51 C ATOM 288 O GLU A 18 29.017 20.340 7.113 1.00 49.49 O ATOM 289 CB GLU A 18 30.429 20.126 4.163 1.00 49.82 C ATOM 290 CG GLU A 18 31.227 20.841 3.082 1.00 49.72 C ATOM 291 CD GLU A 18 32.292 21.717 3.681 1.00 50.62 C ATOM 292 OE1 GLU A 18 33.055 21.231 4.481 1.00 49.24 O ATOM 293 OE2 GLU A 18 32.415 22.842 3.256 1.00 49.24 O ATOM 0 H GLU A 18 30.598 22.090 6.105 1.00 49.53 H new ATOM 0 HA GLU A 18 28.601 21.252 4.091 1.00 50.07 H new ATOM 0 HB2 GLU A 18 31.117 19.766 4.928 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.952 19.249 3.725 1.00 49.82 H new ATOM 0 HG2 GLU A 18 31.686 20.107 2.420 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.556 21.445 2.471 1.00 49.72 H new ATOM 300 N PRO A 19 27.691 19.403 5.599 1.00 49.71 N ATOM 301 CA PRO A 19 26.984 18.559 6.563 1.00 50.02 C ATOM 302 C PRO A 19 27.930 17.676 7.338 1.00 50.51 C ATOM 303 O PRO A 19 27.619 17.201 8.440 1.00 49.49 O ATOM 304 CB PRO A 19 26.033 17.718 5.682 1.00 49.82 C ATOM 305 CG PRO A 19 25.773 18.620 4.520 1.00 49.82 C ATOM 306 CD PRO A 19 27.170 19.220 4.221 1.00 50.00 C ATOM 0 HA PRO A 19 26.461 19.144 7.319 1.00 50.02 H new ATOM 0 HB2 PRO A 19 26.493 16.780 5.371 1.00 49.82 H new ATOM 0 HB3 PRO A 19 25.114 17.462 6.209 1.00 49.82 H new ATOM 0 HG2 PRO A 19 25.378 18.072 3.665 1.00 49.82 H new ATOM 0 HG3 PRO A 19 25.046 19.394 4.765 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.791 18.547 3.630 1.00 50.00 H new ATOM 0 HD3 PRO A 19 27.108 20.161 3.674 1.00 50.00 H new ATOM 314 N SER A 20 29.089 17.390 6.767 1.00 49.53 N ATOM 315 CA SER A 20 30.047 16.493 7.431 1.00 50.07 C ATOM 316 C SER A 20 31.045 17.123 8.374 1.00 50.51 C ATOM 317 O SER A 20 32.032 16.451 8.717 1.00 49.49 O ATOM 318 CB SER A 20 30.792 15.695 6.378 1.00 50.05 C ATOM 319 OG SER A 20 31.619 16.508 5.591 1.00 49.34 O ATOM 0 H SER A 20 29.394 17.753 5.864 1.00 49.53 H new ATOM 0 HA SER A 20 29.427 15.872 8.077 1.00 50.07 H new ATOM 0 HB2 SER A 20 31.394 14.927 6.864 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.075 15.180 5.738 1.00 50.05 H new ATOM 0 HG SER A 20 32.083 15.957 4.926 1.00 49.34 H new ATOM 325 N ASP A 21 30.868 18.416 8.660 1.00 49.53 N ATOM 326 CA ASP A 21 31.856 19.056 9.568 1.00 50.07 C ATOM 327 C ASP A 21 31.655 18.933 11.056 1.00 50.51 C ATOM 328 O ASP A 21 30.581 19.278 11.586 1.00 49.49 O ATOM 329 CB ASP A 21 31.979 20.540 9.214 1.00 49.72 C ATOM 330 CG ASP A 21 32.834 20.825 7.987 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.649 19.999 7.649 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.560 21.786 7.308 1.00 49.24 O ATOM 0 H ASP A 21 30.116 19.012 8.314 1.00 49.53 H new ATOM 0 HA ASP A 21 32.762 18.479 9.384 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.981 20.945 9.048 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.401 21.071 10.067 1.00 49.72 H new ATOM 337 N THR A 22 32.743 18.684 11.766 1.00 49.53 N ATOM 338 CA THR A 22 32.730 18.629 13.208 1.00 50.07 C ATOM 339 C THR A 22 32.933 20.026 13.842 1.00 50.51 C ATOM 340 O THR A 22 33.792 20.784 13.384 1.00 49.49 O ATOM 341 CB THR A 22 33.812 17.674 13.744 1.00 50.14 C ATOM 342 OG1 THR A 22 35.109 18.235 13.503 1.00 49.34 O ATOM 343 CG2 THR A 22 33.714 16.319 13.061 1.00 49.73 C ATOM 0 H THR A 22 33.660 18.515 11.352 1.00 49.53 H new ATOM 0 HA THR A 22 31.746 18.255 13.490 1.00 50.07 H new ATOM 0 HB THR A 22 33.659 17.540 14.815 1.00 50.14 H new ATOM 0 HG1 THR A 22 35.797 17.627 13.846 1.00 49.34 H new ATOM 0 HG21 THR A 22 34.487 15.657 13.453 1.00 49.73 H new ATOM 0 HG22 THR A 22 32.733 15.885 13.253 1.00 49.73 H new ATOM 0 HG23 THR A 22 33.852 16.442 11.987 1.00 49.73 H new ATOM 351 N ILE A 23 32.121 20.256 14.874 1.00 49.53 N ATOM 352 CA ILE A 23 32.231 21.486 15.655 1.00 50.07 C ATOM 353 C ILE A 23 33.681 21.875 15.954 1.00 50.51 C ATOM 354 O ILE A 23 34.049 23.061 16.012 1.00 49.49 O ATOM 355 CB ILE A 23 31.463 21.373 16.985 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.953 21.362 16.730 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.842 22.514 17.916 1.00 49.73 C ATOM 358 CD1 ILE A 23 29.407 22.685 16.246 1.00 49.73 C ATOM 0 H ILE A 23 31.390 19.616 15.185 1.00 49.53 H new ATOM 0 HA ILE A 23 31.790 22.267 15.035 1.00 50.07 H new ATOM 0 HB ILE A 23 31.737 20.434 17.466 1.00 49.91 H new ATOM 0 HG12 ILE A 23 29.724 20.593 15.992 1.00 49.82 H new ATOM 0 HG13 ILE A 23 29.440 21.083 17.651 1.00 49.82 H new ATOM 0 HG21 ILE A 23 31.290 22.419 18.851 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.912 22.477 18.120 1.00 49.73 H new ATOM 0 HG23 ILE A 23 31.596 23.465 17.445 1.00 49.73 H new ATOM 0 HD11 ILE A 23 28.332 22.599 16.088 1.00 49.73 H new ATOM 0 HD12 ILE A 23 29.603 23.455 16.993 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.891 22.957 15.308 1.00 49.73 H new ATOM 370 N GLU A 24 34.515 20.887 16.177 1.00 49.53 N ATOM 371 CA GLU A 24 35.972 21.165 16.413 1.00 50.07 C ATOM 372 C GLU A 24 36.632 21.696 15.165 1.00 50.51 C ATOM 373 O GLU A 24 37.796 22.163 15.194 1.00 49.49 O ATOM 374 CB GLU A 24 36.688 19.899 16.890 1.00 49.82 C ATOM 375 CG GLU A 24 38.158 20.099 17.230 1.00 49.72 C ATOM 376 CD GLU A 24 38.800 18.811 17.665 1.00 50.62 C ATOM 377 OE1 GLU A 24 38.305 18.205 18.585 1.00 49.24 O ATOM 378 OE2 GLU A 24 39.714 18.375 17.008 1.00 49.24 O ATOM 0 H GLU A 24 34.253 19.902 16.206 1.00 49.53 H new ATOM 0 HA GLU A 24 36.047 21.927 17.189 1.00 50.07 H new ATOM 0 HB2 GLU A 24 36.173 19.515 17.770 1.00 49.82 H new ATOM 0 HB3 GLU A 24 36.607 19.137 16.115 1.00 49.82 H new ATOM 0 HG2 GLU A 24 38.684 20.494 16.361 1.00 49.72 H new ATOM 0 HG3 GLU A 24 38.252 20.840 18.023 1.00 49.72 H new ATOM 385 N ASN A 25 35.936 21.606 14.043 1.00 49.53 N ATOM 386 CA ASN A 25 36.418 22.062 12.732 1.00 50.07 C ATOM 387 C ASN A 25 35.661 23.320 12.311 1.00 50.51 C ATOM 388 O ASN A 25 36.066 24.025 11.364 1.00 49.49 O ATOM 389 CB ASN A 25 36.278 20.980 11.677 1.00 49.82 C ATOM 390 CG ASN A 25 36.878 21.349 10.349 1.00 50.55 C ATOM 391 OD1 ASN A 25 38.103 21.398 10.190 1.00 49.45 O ATOM 392 ND2 ASN A 25 36.023 21.689 9.418 1.00 49.38 N ATOM 0 H ASN A 25 34.998 21.206 14.009 1.00 49.53 H new ATOM 0 HA ASN A 25 37.479 22.293 12.823 1.00 50.07 H new ATOM 0 HB2 ASN A 25 36.753 20.068 12.039 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.221 20.755 11.538 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.359 22.013 8.511 1.00 49.38 H new ATOM 0 HD22 ASN A 25 35.021 21.630 9.600 1.00 49.38 H new ATOM 399 N VAL A 26 34.566 23.556 13.020 1.00 49.53 N ATOM 400 CA VAL A 26 33.751 24.738 12.759 1.00 50.07 C ATOM 401 C VAL A 26 34.479 25.850 13.504 1.00 50.51 C ATOM 402 O VAL A 26 34.681 26.950 12.978 1.00 49.49 O ATOM 403 CB VAL A 26 32.311 24.594 13.284 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.523 25.872 13.037 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.620 23.408 12.628 1.00 49.73 C ATOM 0 H VAL A 26 34.224 22.956 13.770 1.00 49.53 H new ATOM 0 HA VAL A 26 33.644 24.922 11.690 1.00 50.07 H new ATOM 0 HB VAL A 26 32.353 24.417 14.359 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.508 25.752 13.414 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.006 26.702 13.552 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.490 26.078 11.967 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.603 23.322 13.011 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.590 23.556 11.549 1.00 49.73 H new ATOM 0 HG23 VAL A 26 32.171 22.495 12.854 1.00 49.73 H new ATOM 415 N LYS A 27 34.885 25.552 14.733 1.00 49.53 N ATOM 416 CA LYS A 27 35.595 26.544 15.554 1.00 50.07 C ATOM 417 C LYS A 27 36.955 26.848 14.950 1.00 50.51 C ATOM 418 O LYS A 27 37.445 27.995 15.101 1.00 49.49 O ATOM 419 CB LYS A 27 35.752 26.043 16.990 1.00 49.82 C ATOM 420 CG LYS A 27 34.487 26.144 17.834 1.00 49.82 C ATOM 421 CD LYS A 27 34.799 26.015 19.317 1.00 49.82 C ATOM 422 CE LYS A 27 35.178 24.588 19.682 1.00 50.21 C ATOM 423 NZ LYS A 27 35.375 24.423 21.148 1.00 49.70 N ATOM 0 H LYS A 27 34.741 24.648 15.183 1.00 49.53 H new ATOM 0 HA LYS A 27 35.006 27.461 15.573 1.00 50.07 H new ATOM 0 HB2 LYS A 27 36.076 25.002 16.965 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.545 26.612 17.476 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.997 27.099 17.645 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.787 25.363 17.538 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.615 26.688 19.579 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.932 26.324 19.901 1.00 49.82 H new ATOM 0 HE2 LYS A 27 34.398 23.907 19.342 1.00 50.21 H new ATOM 0 HE3 LYS A 27 36.093 24.311 19.159 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 35.632 23.437 21.355 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 36.137 25.054 21.469 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 34.494 24.663 21.646 1.00 49.70 H new ATOM 437 N ALA A 28 37.589 25.872 14.333 1.00 49.53 N ATOM 438 CA ALA A 28 38.877 26.080 13.658 1.00 50.07 C ATOM 439 C ALA A 28 38.662 27.045 12.507 1.00 50.51 C ATOM 440 O ALA A 28 39.417 28.068 12.369 1.00 49.49 O ATOM 441 CB ALA A 28 39.454 24.742 13.159 1.00 49.73 C ATOM 0 H ALA A 28 37.239 24.915 14.279 1.00 49.53 H new ATOM 0 HA ALA A 28 39.600 26.500 14.357 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.408 24.920 12.662 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.605 24.072 14.006 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.758 24.286 12.455 1.00 49.73 H new ATOM 447 N LYS A 29 37.664 26.830 11.662 1.00 49.53 N ATOM 448 CA LYS A 29 37.349 27.777 10.574 1.00 50.07 C ATOM 449 C LYS A 29 37.296 29.249 11.026 1.00 50.51 C ATOM 450 O LYS A 29 37.617 30.205 10.278 1.00 49.49 O ATOM 451 CB LYS A 29 36.024 27.396 9.913 1.00 49.82 C ATOM 452 CG LYS A 29 36.078 26.116 9.088 1.00 49.82 C ATOM 453 CD LYS A 29 34.727 25.805 8.461 1.00 49.82 C ATOM 454 CE LYS A 29 34.773 24.513 7.658 1.00 50.21 C ATOM 455 NZ LYS A 29 33.451 24.181 7.063 1.00 49.70 N ATOM 0 H LYS A 29 37.053 26.014 11.699 1.00 49.53 H new ATOM 0 HA LYS A 29 38.169 27.700 9.861 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.265 27.283 10.687 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.704 28.216 9.270 1.00 49.82 H new ATOM 0 HG2 LYS A 29 36.830 26.217 8.305 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.387 25.285 9.722 1.00 49.82 H new ATOM 0 HD2 LYS A 29 33.972 25.723 9.242 1.00 49.82 H new ATOM 0 HD3 LYS A 29 34.427 26.628 7.812 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.515 24.605 6.865 1.00 50.21 H new ATOM 0 HE3 LYS A 29 35.096 23.696 8.303 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 33.592 23.687 6.159 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 32.921 23.567 7.714 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 32.914 25.057 6.899 1.00 49.70 H new ATOM 469 N ILE A 30 36.950 29.447 12.298 1.00 49.53 N ATOM 470 CA ILE A 30 36.873 30.823 12.824 1.00 50.07 C ATOM 471 C ILE A 30 38.280 31.327 13.174 1.00 50.51 C ATOM 472 O ILE A 30 38.641 32.467 12.799 1.00 49.49 O ATOM 473 CB ILE A 30 35.977 30.907 14.073 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.538 30.516 13.723 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.023 32.305 14.668 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.693 30.160 14.925 1.00 49.73 C ATOM 0 H ILE A 30 36.725 28.709 12.966 1.00 49.53 H new ATOM 0 HA ILE A 30 36.433 31.449 12.047 1.00 50.07 H new ATOM 0 HB ILE A 30 36.353 30.206 14.818 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.066 31.342 13.191 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.558 29.667 13.040 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.384 32.346 15.550 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.048 32.547 14.951 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.670 33.026 13.931 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.688 29.894 14.597 1.00 49.73 H new ATOM 0 HD12 ILE A 30 34.140 29.314 15.446 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.641 31.015 15.599 1.00 49.73 H new ATOM 488 N GLN A 31 39.050 30.567 13.910 1.00 49.53 N ATOM 489 CA GLN A 31 40.427 31.056 14.240 1.00 50.07 C ATOM 490 C GLN A 31 41.081 31.784 13.054 1.00 50.51 C ATOM 491 O GLN A 31 41.624 32.912 13.101 1.00 49.49 O ATOM 492 CB GLN A 31 41.315 29.888 14.677 1.00 49.82 C ATOM 493 CG GLN A 31 42.744 30.282 15.006 1.00 49.82 C ATOM 494 CD GLN A 31 43.661 30.196 13.801 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.523 29.303 12.962 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.606 31.126 13.711 1.00 49.38 N ATOM 0 H GLN A 31 38.797 29.654 14.289 1.00 49.53 H new ATOM 0 HA GLN A 31 40.327 31.769 15.058 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.870 29.415 15.552 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.329 29.141 13.884 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.756 31.300 15.396 1.00 49.82 H new ATOM 0 HG3 GLN A 31 43.124 29.633 15.795 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.683 31.846 14.429 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.255 31.120 12.924 1.00 49.38 H new ATOM 505 N ASP A 32 41.046 31.101 11.934 1.00 49.53 N ATOM 506 CA ASP A 32 41.617 31.670 10.691 1.00 50.07 C ATOM 507 C ASP A 32 41.115 33.027 10.249 1.00 50.51 C ATOM 508 O ASP A 32 41.853 33.900 9.737 1.00 49.49 O ATOM 509 CB ASP A 32 41.431 30.675 9.542 1.00 49.72 C ATOM 510 CG ASP A 32 41.904 31.184 8.187 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.092 31.212 7.967 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.078 31.389 7.331 1.00 49.24 O ATOM 0 H ASP A 32 40.642 30.169 11.836 1.00 49.53 H new ATOM 0 HA ASP A 32 42.663 31.841 10.945 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.970 29.758 9.781 1.00 49.72 H new ATOM 0 HB3 ASP A 32 40.375 30.414 9.470 1.00 49.72 H new ATOM 517 N LYS A 33 39.801 33.279 10.402 1.00 49.53 N ATOM 518 CA LYS A 33 39.310 34.579 9.871 1.00 50.07 C ATOM 519 C LYS A 33 38.941 35.516 10.966 1.00 50.51 C ATOM 520 O LYS A 33 38.788 36.745 10.645 1.00 49.49 O ATOM 521 CB LYS A 33 38.112 34.359 8.946 1.00 49.82 C ATOM 522 CG LYS A 33 38.469 33.790 7.579 1.00 49.82 C ATOM 523 CD LYS A 33 37.275 33.097 6.938 1.00 49.82 C ATOM 524 CE LYS A 33 36.265 34.107 6.412 1.00 50.21 C ATOM 525 NZ LYS A 33 35.098 33.443 5.768 1.00 49.70 N ATOM 0 H LYS A 33 39.112 32.671 10.844 1.00 49.53 H new ATOM 0 HA LYS A 33 40.125 35.030 9.304 1.00 50.07 H new ATOM 0 HB2 LYS A 33 37.410 33.684 9.435 1.00 49.82 H new ATOM 0 HB3 LYS A 33 37.596 35.309 8.807 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.818 34.592 6.929 1.00 49.82 H new ATOM 0 HG3 LYS A 33 39.291 33.082 7.681 1.00 49.82 H new ATOM 0 HD2 LYS A 33 37.616 32.462 6.121 1.00 49.82 H new ATOM 0 HD3 LYS A 33 36.795 32.446 7.668 1.00 49.82 H new ATOM 0 HE2 LYS A 33 35.918 34.734 7.233 1.00 50.21 H new ATOM 0 HE3 LYS A 33 36.751 34.765 5.692 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 35.073 33.688 4.758 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 35.184 32.412 5.872 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 34.220 33.765 6.224 1.00 49.70 H new ATOM 539 N GLU A 34 38.902 35.165 12.220 1.00 49.53 N ATOM 540 CA GLU A 34 38.555 36.035 13.321 1.00 50.07 C ATOM 541 C GLU A 34 39.815 36.313 14.103 1.00 50.51 C ATOM 542 O GLU A 34 39.920 37.368 14.735 1.00 49.49 O ATOM 543 CB GLU A 34 37.493 35.392 14.216 1.00 49.82 C ATOM 544 CG GLU A 34 37.327 36.058 15.574 1.00 49.72 C ATOM 545 CD GLU A 34 36.802 37.460 15.435 1.00 50.62 C ATOM 546 OE1 GLU A 34 36.341 37.799 14.371 1.00 49.24 O ATOM 547 OE2 GLU A 34 36.759 38.157 16.422 1.00 49.24 O ATOM 0 H GLU A 34 39.122 34.216 12.523 1.00 49.53 H new ATOM 0 HA GLU A 34 38.132 36.965 12.942 1.00 50.07 H new ATOM 0 HB2 GLU A 34 36.536 35.413 13.695 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.750 34.344 14.368 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.644 35.471 16.188 1.00 49.72 H new ATOM 0 HG3 GLU A 34 38.286 36.076 16.092 1.00 49.72 H new ATOM 554 N GLY A 35 40.736 35.364 14.140 1.00 49.53 N ATOM 555 CA GLY A 35 42.008 35.539 14.791 1.00 49.98 C ATOM 556 C GLY A 35 41.866 35.257 16.234 1.00 50.51 C ATOM 557 O GLY A 35 42.834 35.457 17.013 1.00 49.49 O ATOM 0 H GLY A 35 40.613 34.446 13.713 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.749 34.872 14.350 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.368 36.557 14.642 1.00 49.98 H new ATOM 561 N ILE A 36 40.694 34.758 16.665 1.00 49.53 N ATOM 562 CA ILE A 36 40.534 34.464 18.098 1.00 50.07 C ATOM 563 C ILE A 36 40.712 32.956 18.139 1.00 50.51 C ATOM 564 O ILE A 36 40.084 32.221 17.356 1.00 49.49 O ATOM 565 CB ILE A 36 39.149 34.861 18.638 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.954 36.377 18.547 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.980 34.385 20.073 1.00 49.73 C ATOM 568 CD1 ILE A 36 39.844 37.164 19.481 1.00 49.73 C ATOM 0 H ILE A 36 39.884 34.559 16.078 1.00 49.53 H new ATOM 0 HA ILE A 36 41.236 35.021 18.718 1.00 50.07 H new ATOM 0 HB ILE A 36 38.388 34.379 18.025 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.144 36.698 17.523 1.00 49.82 H new ATOM 0 HG13 ILE A 36 37.913 36.614 18.767 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.995 34.674 20.439 1.00 49.73 H new ATOM 0 HG22 ILE A 36 39.076 33.300 20.110 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.747 34.839 20.700 1.00 49.73 H new ATOM 0 HD11 ILE A 36 39.648 38.229 19.359 1.00 49.73 H new ATOM 0 HD12 ILE A 36 39.638 36.873 20.511 1.00 49.73 H new ATOM 0 HD13 ILE A 36 40.889 36.958 19.248 1.00 49.73 H new ATOM 580 N PRO A 37 41.541 32.471 19.055 1.00 49.71 N ATOM 581 CA PRO A 37 41.787 31.030 19.238 1.00 50.02 C ATOM 582 C PRO A 37 40.491 30.290 19.513 1.00 50.51 C ATOM 583 O PRO A 37 39.689 30.784 20.350 1.00 49.49 O ATOM 584 CB PRO A 37 42.669 31.051 20.523 1.00 49.82 C ATOM 585 CG PRO A 37 43.414 32.348 20.413 1.00 49.82 C ATOM 586 CD PRO A 37 42.313 33.319 20.011 1.00 50.00 C ATOM 0 HA PRO A 37 42.233 30.536 18.375 1.00 50.02 H new ATOM 0 HB2 PRO A 37 42.062 31.012 21.427 1.00 49.82 H new ATOM 0 HB3 PRO A 37 43.348 30.199 20.558 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.881 32.630 21.356 1.00 49.82 H new ATOM 0 HG3 PRO A 37 44.207 32.300 19.667 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.711 33.639 20.861 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.706 34.221 19.542 1.00 50.00 H new ATOM 594 N PRO A 38 40.276 29.147 18.913 1.00 49.71 N ATOM 595 CA PRO A 38 39.025 28.404 19.139 1.00 50.02 C ATOM 596 C PRO A 38 38.775 28.079 20.587 1.00 50.51 C ATOM 597 O PRO A 38 37.610 28.017 21.067 1.00 49.49 O ATOM 598 CB PRO A 38 39.157 27.191 18.223 1.00 49.82 C ATOM 599 CG PRO A 38 40.048 27.707 17.097 1.00 49.82 C ATOM 600 CD PRO A 38 41.122 28.475 17.895 1.00 50.00 C ATOM 0 HA PRO A 38 38.137 28.988 18.899 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.608 26.343 18.738 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.188 26.859 17.851 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.475 26.897 16.506 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.506 28.354 16.407 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.860 27.810 18.343 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.669 29.186 17.276 1.00 50.00 H new ATOM 608 N ASP A 39 39.813 27.861 21.359 1.00 49.53 N ATOM 609 CA ASP A 39 39.645 27.479 22.787 1.00 50.07 C ATOM 610 C ASP A 39 39.116 28.619 23.649 1.00 50.51 C ATOM 611 O ASP A 39 38.871 28.485 24.879 1.00 49.49 O ATOM 612 CB ASP A 39 40.970 26.970 23.358 1.00 49.72 C ATOM 613 CG ASP A 39 42.045 28.039 23.504 1.00 50.62 C ATOM 614 OD1 ASP A 39 42.370 28.663 22.522 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.416 28.332 24.615 1.00 49.24 O ATOM 0 H ASP A 39 40.782 27.934 21.050 1.00 49.53 H new ATOM 0 HA ASP A 39 38.899 26.685 22.812 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.783 26.524 24.335 1.00 49.72 H new ATOM 0 HB3 ASP A 39 41.349 26.177 22.713 1.00 49.72 H new ATOM 620 N GLN A 40 38.827 29.749 23.024 1.00 49.53 N ATOM 621 CA GLN A 40 38.282 30.893 23.791 1.00 50.07 C ATOM 622 C GLN A 40 36.980 31.470 23.204 1.00 50.51 C ATOM 623 O GLN A 40 36.755 32.668 23.323 1.00 49.49 O ATOM 624 CB GLN A 40 39.328 32.007 23.889 1.00 49.82 C ATOM 625 CG GLN A 40 40.641 31.574 24.517 1.00 49.82 C ATOM 626 CD GLN A 40 41.571 32.745 24.779 1.00 50.55 C ATOM 627 OE1 GLN A 40 41.232 33.898 24.500 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.751 32.454 25.314 1.00 49.38 N ATOM 0 H GLN A 40 38.949 29.912 22.025 1.00 49.53 H new ATOM 0 HA GLN A 40 38.038 30.503 24.779 1.00 50.07 H new ATOM 0 HB2 GLN A 40 39.526 32.393 22.889 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.913 32.829 24.472 1.00 49.82 H new ATOM 0 HG2 GLN A 40 40.439 31.057 25.455 1.00 49.82 H new ATOM 0 HG3 GLN A 40 41.137 30.860 23.860 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.989 31.486 25.528 1.00 49.38 H new ATOM 0 HE22 GLN A 40 43.420 33.199 25.511 1.00 49.38 H new ATOM 637 N GLN A 41 36.125 30.629 22.664 1.00 49.53 N ATOM 638 CA GLN A 41 34.892 31.041 22.035 1.00 50.07 C ATOM 639 C GLN A 41 33.690 30.405 22.700 1.00 50.51 C ATOM 640 O GLN A 41 33.543 29.203 22.857 1.00 49.49 O ATOM 641 CB GLN A 41 34.907 30.682 20.547 1.00 49.82 C ATOM 642 CG GLN A 41 35.876 31.508 19.718 1.00 49.82 C ATOM 643 CD GLN A 41 36.112 30.915 18.341 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.475 29.929 17.958 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.033 31.508 17.591 1.00 49.38 N ATOM 0 H GLN A 41 36.272 29.620 22.650 1.00 49.53 H new ATOM 0 HA GLN A 41 34.812 32.122 22.147 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.163 29.628 20.441 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.902 30.808 20.144 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.487 32.521 19.612 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.827 31.585 20.245 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.535 32.321 17.948 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.238 31.151 16.658 1.00 49.38 H new ATOM 654 N ARG A 42 32.682 31.242 22.938 1.00 49.53 N ATOM 655 CA ARG A 42 31.357 30.746 23.428 1.00 50.07 C ATOM 656 C ARG A 42 30.376 30.656 22.281 1.00 50.51 C ATOM 657 O ARG A 42 30.239 31.718 21.548 1.00 49.49 O ATOM 658 CB ARG A 42 30.811 31.590 24.570 1.00 49.82 C ATOM 659 CG ARG A 42 29.453 31.152 25.096 1.00 49.82 C ATOM 660 CD ARG A 42 28.839 32.095 26.066 1.00 50.20 C ATOM 661 NE ARG A 42 29.519 32.168 27.349 1.00 49.30 N ATOM 662 CZ ARG A 42 29.294 31.332 28.382 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.386 30.385 28.303 1.00 49.20 N ATOM 664 NH2 ARG A 42 29.996 31.505 29.489 1.00 49.20 N ATOM 0 H ARG A 42 32.735 32.252 22.809 1.00 49.53 H new ATOM 0 HA ARG A 42 31.506 29.745 23.834 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.527 31.570 25.392 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.739 32.625 24.236 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.774 31.024 24.253 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.558 30.177 25.572 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.819 33.091 25.623 1.00 50.20 H new ATOM 0 HD3 ARG A 42 27.803 31.800 26.234 1.00 50.20 H new ATOM 0 HE ARG A 42 30.215 32.903 27.476 1.00 49.30 H new ATOM 0 HH11 ARG A 42 27.838 30.274 27.450 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.229 29.761 29.095 1.00 49.20 H new ATOM 0 HH21 ARG A 42 30.685 32.255 29.544 1.00 49.20 H new ATOM 0 HH22 ARG A 42 29.848 30.888 30.288 1.00 49.20 H new ATOM 678 N LEU A 43 29.771 29.498 22.025 1.00 49.53 N ATOM 679 CA LEU A 43 28.843 29.357 20.874 1.00 50.07 C ATOM 680 C LEU A 43 27.392 29.369 21.345 1.00 50.51 C ATOM 681 O LEU A 43 27.041 28.568 22.222 1.00 49.49 O ATOM 682 CB LEU A 43 29.145 28.066 20.103 1.00 49.82 C ATOM 683 CG LEU A 43 30.457 28.071 19.308 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.799 26.658 18.855 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.323 29.003 18.112 1.00 49.73 C ATOM 0 H LEU A 43 29.894 28.651 22.579 1.00 49.53 H new ATOM 0 HA LEU A 43 28.992 30.206 20.207 1.00 50.07 H new ATOM 0 HB2 LEU A 43 29.171 27.237 20.810 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.322 27.872 19.415 1.00 49.82 H new ATOM 0 HG LEU A 43 31.266 28.430 19.944 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.732 26.672 18.292 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.912 26.014 19.727 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.999 26.275 18.222 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.255 29.007 17.547 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.512 28.658 17.471 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.106 30.013 18.460 1.00 49.73 H new ATOM 697 N ILE A 44 26.625 30.324 20.829 1.00 49.53 N ATOM 698 CA ILE A 44 25.230 30.512 21.209 1.00 50.07 C ATOM 699 C ILE A 44 24.276 30.574 20.023 1.00 50.51 C ATOM 700 O ILE A 44 24.352 31.439 19.173 1.00 49.49 O ATOM 701 CB ILE A 44 25.051 31.787 22.053 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.746 31.633 23.408 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.574 32.098 22.243 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.606 32.840 24.308 1.00 49.73 C ATOM 0 H ILE A 44 26.955 30.992 20.133 1.00 49.53 H new ATOM 0 HA ILE A 44 24.974 29.629 21.795 1.00 50.07 H new ATOM 0 HB ILE A 44 25.512 32.620 21.522 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.336 30.762 23.919 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.805 31.436 23.242 1.00 49.82 H new ATOM 0 HG21 ILE A 44 23.467 33.002 22.842 1.00 49.73 H new ATOM 0 HG22 ILE A 44 23.106 32.249 21.270 1.00 49.73 H new ATOM 0 HG23 ILE A 44 23.090 31.265 22.753 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.125 32.655 25.249 1.00 49.73 H new ATOM 0 HD12 ILE A 44 26.042 33.711 23.819 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.550 33.026 24.506 1.00 49.73 H new ATOM 716 N PHE A 45 23.273 29.658 20.055 1.00 49.53 N ATOM 717 CA PHE A 45 22.235 29.615 19.012 1.00 50.07 C ATOM 718 C PHE A 45 20.838 29.739 19.647 1.00 50.51 C ATOM 719 O PHE A 45 20.384 28.887 20.413 1.00 49.49 O ATOM 720 CB PHE A 45 22.338 28.320 18.204 1.00 49.82 C ATOM 721 CG PHE A 45 21.232 28.141 17.202 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.857 29.184 16.368 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.564 26.931 17.095 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.839 29.020 15.448 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.548 26.764 16.174 1.00 49.88 C ATOM 726 CZ PHE A 45 19.185 27.811 15.350 1.00 49.88 C ATOM 0 H PHE A 45 23.168 28.952 20.784 1.00 49.53 H new ATOM 0 HA PHE A 45 22.389 30.456 18.336 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.295 28.303 17.682 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.335 27.473 18.890 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.366 30.134 16.438 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.841 26.109 17.739 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.556 29.840 14.805 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.038 25.815 16.098 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.390 27.683 14.630 1.00 49.88 H new ATOM 736 N ALA A 46 20.250 30.869 19.336 1.00 49.53 N ATOM 737 CA ALA A 46 18.881 31.214 19.769 1.00 50.07 C ATOM 738 C ALA A 46 18.748 31.081 21.278 1.00 50.51 C ATOM 739 O ALA A 46 17.674 30.769 21.814 1.00 49.49 O ATOM 740 CB ALA A 46 17.878 30.351 19.072 1.00 49.73 C ATOM 0 H ALA A 46 20.696 31.593 18.772 1.00 49.53 H new ATOM 0 HA ALA A 46 18.686 32.252 19.500 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.875 30.619 19.403 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.956 30.499 17.995 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.071 29.305 19.309 1.00 49.73 H new ATOM 746 N GLY A 47 19.856 31.266 21.932 1.00 49.53 N ATOM 747 CA GLY A 47 20.076 31.204 23.348 1.00 49.98 C ATOM 748 C GLY A 47 20.069 29.844 23.993 1.00 50.51 C ATOM 749 O GLY A 47 19.685 29.723 25.178 1.00 49.49 O ATOM 0 H GLY A 47 20.719 31.487 21.435 1.00 49.53 H new ATOM 0 HA2 GLY A 47 21.037 31.672 23.560 1.00 49.98 H new ATOM 0 HA3 GLY A 47 19.312 31.811 23.834 1.00 49.98 H new ATOM 753 N LYS A 48 20.519 28.833 23.301 1.00 49.53 N ATOM 754 CA LYS A 48 20.604 27.473 23.852 1.00 50.07 C ATOM 755 C LYS A 48 22.102 27.120 23.795 1.00 50.51 C ATOM 756 O LYS A 48 22.774 27.592 22.892 1.00 49.49 O ATOM 757 CB LYS A 48 19.770 26.485 23.033 1.00 49.82 C ATOM 758 CG LYS A 48 19.462 25.177 23.749 1.00 49.82 C ATOM 759 CD LYS A 48 18.708 24.216 22.844 1.00 49.82 C ATOM 760 CE LYS A 48 17.350 24.776 22.448 1.00 50.21 C ATOM 761 NZ LYS A 48 16.441 24.910 23.619 1.00 49.70 N ATOM 0 H LYS A 48 20.842 28.910 22.337 1.00 49.53 H new ATOM 0 HA LYS A 48 20.208 27.419 24.866 1.00 50.07 H new ATOM 0 HB2 LYS A 48 18.831 26.963 22.756 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.299 26.262 22.107 1.00 49.82 H new ATOM 0 HG2 LYS A 48 20.391 24.714 24.081 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.870 25.379 24.642 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.297 24.019 21.948 1.00 49.82 H new ATOM 0 HD3 LYS A 48 18.575 23.262 23.354 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.482 25.751 21.978 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.891 24.124 21.705 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.476 25.114 23.288 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.440 24.023 24.161 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 16.770 25.687 24.227 1.00 49.70 H new ATOM 775 N GLN A 49 22.573 26.320 24.714 1.00 49.53 N ATOM 776 CA GLN A 49 23.985 25.847 24.643 1.00 50.07 C ATOM 777 C GLN A 49 24.323 24.584 23.856 1.00 50.51 C ATOM 778 O GLN A 49 23.520 23.615 23.900 1.00 49.49 O ATOM 779 CB GLN A 49 24.526 25.677 26.065 1.00 49.82 C ATOM 780 CG GLN A 49 23.996 24.452 26.791 1.00 49.82 C ATOM 781 CD GLN A 49 24.275 24.496 28.281 1.00 50.55 C ATOM 782 OE1 GLN A 49 23.535 25.119 29.046 1.00 49.45 O ATOM 783 NE2 GLN A 49 25.349 23.838 28.701 1.00 49.38 N ATOM 0 H GLN A 49 22.040 25.974 25.512 1.00 49.53 H new ATOM 0 HA GLN A 49 24.458 26.636 24.058 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.614 25.618 26.023 1.00 49.82 H new ATOM 0 HB3 GLN A 49 24.277 26.565 26.645 1.00 49.82 H new ATOM 0 HG2 GLN A 49 22.921 24.373 26.628 1.00 49.82 H new ATOM 0 HG3 GLN A 49 24.449 23.557 26.366 1.00 49.82 H new ATOM 0 HE21 GLN A 49 25.933 23.336 28.033 1.00 49.38 H new ATOM 0 HE22 GLN A 49 25.590 23.835 29.692 1.00 49.38 H new ATOM 792 N LEU A 50 25.376 24.612 23.074 1.00 49.53 N ATOM 793 CA LEU A 50 25.742 23.481 22.205 1.00 50.07 C ATOM 794 C LEU A 50 26.753 22.749 23.071 1.00 50.51 C ATOM 795 O LEU A 50 27.362 23.397 23.898 1.00 49.49 O ATOM 796 CB LEU A 50 26.356 23.962 20.884 1.00 49.82 C ATOM 797 CG LEU A 50 25.346 24.317 19.785 1.00 49.91 C ATOM 798 CD1 LEU A 50 24.812 25.725 20.001 1.00 49.73 C ATOM 799 CD2 LEU A 50 26.014 24.196 18.422 1.00 49.73 C ATOM 0 H LEU A 50 26.011 25.408 23.011 1.00 49.53 H new ATOM 0 HA LEU A 50 24.899 22.862 21.897 1.00 50.07 H new ATOM 0 HB2 LEU A 50 26.972 24.838 21.086 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.021 23.185 20.507 1.00 49.82 H new ATOM 0 HG LEU A 50 24.505 23.624 19.826 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.096 25.967 19.216 1.00 49.73 H new ATOM 0 HD12 LEU A 50 24.319 25.782 20.972 1.00 49.73 H new ATOM 0 HD13 LEU A 50 25.638 26.436 19.971 1.00 49.73 H new ATOM 0 HD21 LEU A 50 25.296 24.448 17.641 1.00 49.73 H new ATOM 0 HD22 LEU A 50 26.862 24.879 18.370 1.00 49.73 H new ATOM 0 HD23 LEU A 50 26.363 23.174 18.277 1.00 49.73 H new ATOM 811 N GLU A 51 26.925 21.447 22.841 1.00 49.53 N ATOM 812 CA GLU A 51 27.853 20.654 23.674 1.00 50.07 C ATOM 813 C GLU A 51 28.752 19.867 22.759 1.00 50.51 C ATOM 814 O GLU A 51 28.394 19.660 21.602 1.00 49.49 O ATOM 815 CB GLU A 51 27.085 19.719 24.612 1.00 49.82 C ATOM 816 CG GLU A 51 26.126 20.427 25.558 1.00 49.72 C ATOM 817 CD GLU A 51 26.761 20.667 26.900 1.00 50.62 C ATOM 818 OE1 GLU A 51 27.727 21.388 26.959 1.00 49.24 O ATOM 819 OE2 GLU A 51 26.215 20.219 27.881 1.00 49.24 O ATOM 0 H GLU A 51 26.451 20.922 22.106 1.00 49.53 H new ATOM 0 HA GLU A 51 28.447 21.321 24.298 1.00 50.07 H new ATOM 0 HB2 GLU A 51 26.522 19.004 24.012 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.801 19.147 25.201 1.00 49.82 H new ATOM 0 HG2 GLU A 51 25.819 21.378 25.123 1.00 49.72 H new ATOM 0 HG3 GLU A 51 25.224 19.827 25.682 1.00 49.72 H new ATOM 826 N ASP A 52 29.915 19.449 23.192 1.00 49.53 N ATOM 827 CA ASP A 52 30.927 18.754 22.406 1.00 50.07 C ATOM 828 C ASP A 52 30.416 17.372 22.035 1.00 50.51 C ATOM 829 O ASP A 52 30.903 16.803 21.017 1.00 49.49 O ATOM 830 CB ASP A 52 32.242 18.646 23.183 1.00 49.72 C ATOM 831 CG ASP A 52 33.007 19.957 23.310 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.660 20.892 22.628 1.00 49.24 O ATOM 833 OD2 ASP A 52 33.825 20.061 24.192 1.00 49.24 O ATOM 0 H ASP A 52 30.207 19.589 24.159 1.00 49.53 H new ATOM 0 HA ASP A 52 31.121 19.324 21.497 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.029 18.265 24.182 1.00 49.72 H new ATOM 0 HB3 ASP A 52 32.881 17.913 22.692 1.00 49.72 H new ATOM 838 N GLY A 53 29.660 16.744 22.906 1.00 49.53 N ATOM 839 CA GLY A 53 29.134 15.379 22.722 1.00 49.98 C ATOM 840 C GLY A 53 28.061 15.298 21.688 1.00 50.51 C ATOM 841 O GLY A 53 27.349 14.274 21.581 1.00 49.49 O ATOM 0 H GLY A 53 29.377 17.166 23.791 1.00 49.53 H new ATOM 0 HA2 GLY A 53 29.952 14.716 22.440 1.00 49.98 H new ATOM 0 HA3 GLY A 53 28.742 15.016 23.672 1.00 49.98 H new ATOM 845 N ARG A 54 27.816 16.358 20.925 1.00 49.53 N ATOM 846 CA ARG A 54 26.823 16.330 19.832 1.00 50.07 C ATOM 847 C ARG A 54 27.215 16.699 18.410 1.00 50.51 C ATOM 848 O ARG A 54 28.222 17.408 18.192 1.00 49.49 O ATOM 849 CB ARG A 54 25.577 17.110 20.227 1.00 49.82 C ATOM 850 CG ARG A 54 24.760 16.486 21.346 1.00 49.82 C ATOM 851 CD ARG A 54 23.728 17.384 21.926 1.00 50.20 C ATOM 852 NE ARG A 54 22.639 17.714 21.021 1.00 49.30 N ATOM 853 CZ ARG A 54 21.665 18.605 21.289 1.00 50.64 C ATOM 854 NH1 ARG A 54 21.617 19.230 22.445 1.00 49.20 N ATOM 855 NH2 ARG A 54 20.743 18.818 20.367 1.00 49.20 N ATOM 0 H ARG A 54 28.288 17.255 21.036 1.00 49.53 H new ATOM 0 HA ARG A 54 26.668 15.255 19.743 1.00 50.07 H new ATOM 0 HB2 ARG A 54 25.875 18.114 20.531 1.00 49.82 H new ATOM 0 HB3 ARG A 54 24.940 17.219 19.349 1.00 49.82 H new ATOM 0 HG2 ARG A 54 24.272 15.589 20.966 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.436 16.169 22.140 1.00 49.82 H new ATOM 0 HD2 ARG A 54 23.313 16.912 22.817 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.208 18.308 22.249 1.00 50.20 H new ATOM 0 HE ARG A 54 22.611 17.237 20.120 1.00 49.30 H new ATOM 0 HH11 ARG A 54 22.325 19.043 23.156 1.00 49.20 H new ATOM 0 HH12 ARG A 54 20.872 19.902 22.631 1.00 49.20 H new ATOM 0 HH21 ARG A 54 20.781 18.314 19.481 1.00 49.20 H new ATOM 0 HH22 ARG A 54 19.993 19.487 20.541 1.00 49.20 H new ATOM 869 N THR A 55 26.399 16.319 17.459 1.00 49.53 N ATOM 870 CA THR A 55 26.588 16.643 16.026 1.00 50.07 C ATOM 871 C THR A 55 26.094 18.083 15.755 1.00 50.51 C ATOM 872 O THR A 55 25.524 18.718 16.636 1.00 49.49 O ATOM 873 CB THR A 55 25.829 15.662 15.113 1.00 50.14 C ATOM 874 OG1 THR A 55 24.438 15.664 15.458 1.00 49.34 O ATOM 875 CG2 THR A 55 26.383 14.254 15.266 1.00 49.73 C ATOM 0 H THR A 55 25.562 15.764 17.640 1.00 49.53 H new ATOM 0 HA THR A 55 27.651 16.558 15.801 1.00 50.07 H new ATOM 0 HB THR A 55 25.955 15.980 14.078 1.00 50.14 H new ATOM 0 HG1 THR A 55 24.296 15.100 16.247 1.00 49.34 H new ATOM 0 HG21 THR A 55 25.835 13.574 14.614 1.00 49.73 H new ATOM 0 HG22 THR A 55 27.438 14.247 14.993 1.00 49.73 H new ATOM 0 HG23 THR A 55 26.274 13.930 16.301 1.00 49.73 H new ATOM 883 N LEU A 56 26.324 18.543 14.542 1.00 49.53 N ATOM 884 CA LEU A 56 25.865 19.872 14.103 1.00 50.07 C ATOM 885 C LEU A 56 24.458 19.721 13.531 1.00 50.51 C ATOM 886 O LEU A 56 23.721 20.669 13.566 1.00 49.49 O ATOM 887 CB LEU A 56 26.822 20.457 13.057 1.00 49.82 C ATOM 888 CG LEU A 56 26.426 21.835 12.509 1.00 49.91 C ATOM 889 CD1 LEU A 56 26.376 22.851 13.641 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.425 22.263 11.444 1.00 49.73 C ATOM 0 H LEU A 56 26.830 18.020 13.827 1.00 49.53 H new ATOM 0 HA LEU A 56 25.850 20.561 14.947 1.00 50.07 H new ATOM 0 HB2 LEU A 56 27.816 20.531 13.498 1.00 49.82 H new ATOM 0 HB3 LEU A 56 26.894 19.759 12.223 1.00 49.82 H new ATOM 0 HG LEU A 56 25.435 21.778 12.058 1.00 49.91 H new ATOM 0 HD11 LEU A 56 26.094 23.826 13.243 1.00 49.73 H new ATOM 0 HD12 LEU A 56 25.641 22.535 14.381 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.357 22.921 14.111 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.144 23.242 11.054 1.00 49.73 H new ATOM 0 HD22 LEU A 56 28.422 22.319 11.882 1.00 49.73 H new ATOM 0 HD23 LEU A 56 27.425 21.536 10.632 1.00 49.73 H new ATOM 902 N SER A 57 24.078 18.487 13.140 1.00 49.53 N ATOM 903 CA SER A 57 22.715 18.341 12.573 1.00 50.07 C ATOM 904 C SER A 57 21.643 18.286 13.639 1.00 50.51 C ATOM 905 O SER A 57 20.521 18.845 13.449 1.00 49.49 O ATOM 906 CB SER A 57 22.649 17.102 11.702 1.00 50.05 C ATOM 907 OG SER A 57 23.307 17.282 10.478 1.00 49.34 O ATOM 0 H SER A 57 24.640 17.638 13.196 1.00 49.53 H new ATOM 0 HA SER A 57 22.519 19.228 11.971 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.096 16.262 12.233 1.00 50.05 H new ATOM 0 HB3 SER A 57 21.606 16.844 11.518 1.00 50.05 H new ATOM 0 HG SER A 57 23.242 16.460 9.948 1.00 49.34 H new ATOM 913 N ASP A 58 21.941 17.651 14.758 1.00 49.53 N ATOM 914 CA ASP A 58 20.962 17.541 15.873 1.00 50.07 C ATOM 915 C ASP A 58 20.338 18.843 16.384 1.00 50.51 C ATOM 916 O ASP A 58 19.387 18.857 17.171 1.00 49.49 O ATOM 917 CB ASP A 58 21.608 16.805 17.050 1.00 49.72 C ATOM 918 CG ASP A 58 21.693 15.294 16.877 1.00 50.62 C ATOM 919 OD1 ASP A 58 20.827 14.738 16.244 1.00 49.24 O ATOM 920 OD2 ASP A 58 22.698 14.730 17.240 1.00 49.24 O ATOM 0 H ASP A 58 22.839 17.201 14.937 1.00 49.53 H new ATOM 0 HA ASP A 58 20.128 16.991 15.436 1.00 50.07 H new ATOM 0 HB2 ASP A 58 22.613 17.198 17.201 1.00 49.72 H new ATOM 0 HB3 ASP A 58 21.041 17.024 17.955 1.00 49.72 H new ATOM 925 N TYR A 59 20.971 19.929 16.044 1.00 49.53 N ATOM 926 CA TYR A 59 20.541 21.278 16.410 1.00 50.07 C ATOM 927 C TYR A 59 19.683 21.882 15.323 1.00 50.51 C ATOM 928 O TYR A 59 19.424 23.101 15.395 1.00 49.49 O ATOM 929 CB TYR A 59 21.753 22.171 16.681 1.00 49.82 C ATOM 930 CG TYR A 59 22.580 21.738 17.873 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.174 22.039 19.165 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.761 21.033 17.702 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.924 21.647 20.258 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.519 20.635 18.787 1.00 49.88 C ATOM 935 CZ TYR A 59 24.096 20.944 20.064 1.00 50.11 C ATOM 936 OH TYR A 59 24.847 20.552 21.149 1.00 49.46 O ATOM 0 H TYR A 59 21.827 19.916 15.489 1.00 49.53 H new ATOM 0 HA TYR A 59 19.946 21.208 17.320 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.388 22.183 15.795 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.410 23.193 16.841 1.00 49.82 H new ATOM 0 HD1 TYR A 59 21.257 22.588 19.319 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.095 20.791 16.704 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.595 21.889 21.258 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.437 20.086 18.637 1.00 49.88 H new ATOM 0 HH TYR A 59 24.310 20.632 21.965 1.00 49.46 H new ATOM 946 N ASN A 60 19.209 21.153 14.334 1.00 49.53 N ATOM 947 CA ASN A 60 18.372 21.785 13.294 1.00 50.07 C ATOM 948 C ASN A 60 18.903 23.077 12.685 1.00 50.51 C ATOM 949 O ASN A 60 18.129 23.951 12.247 1.00 49.49 O ATOM 950 CB ASN A 60 16.965 22.023 13.814 1.00 49.82 C ATOM 951 CG ASN A 60 15.888 21.673 12.826 1.00 50.55 C ATOM 952 OD1 ASN A 60 14.926 22.425 12.633 1.00 49.45 O ATOM 953 ND2 ASN A 60 16.001 20.499 12.259 1.00 49.38 N ATOM 0 H ASN A 60 19.372 20.153 14.215 1.00 49.53 H new ATOM 0 HA ASN A 60 18.386 21.060 12.480 1.00 50.07 H new ATOM 0 HB2 ASN A 60 16.818 21.436 14.721 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.863 23.072 14.093 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.275 20.167 11.625 1.00 49.38 H new ATOM 0 HD22 ASN A 60 16.815 19.916 12.452 1.00 49.38 H new ATOM 960 N ILE A 61 20.211 23.190 12.574 1.00 49.53 N ATOM 961 CA ILE A 61 20.835 24.373 11.908 1.00 50.07 C ATOM 962 C ILE A 61 20.858 24.238 10.388 1.00 50.51 C ATOM 963 O ILE A 61 21.560 23.285 9.941 1.00 49.49 O ATOM 964 CB ILE A 61 22.272 24.604 12.410 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.266 24.972 13.897 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.952 25.692 11.592 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.643 25.199 14.475 1.00 49.73 C ATOM 0 H ILE A 61 20.876 22.500 12.923 1.00 49.53 H new ATOM 0 HA ILE A 61 20.213 25.229 12.171 1.00 50.07 H new ATOM 0 HB ILE A 61 22.835 23.679 12.287 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.671 25.874 14.036 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.774 24.176 14.457 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.967 25.843 11.960 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.986 25.392 10.545 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.390 26.622 11.685 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.557 25.455 15.531 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.236 24.291 14.369 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.131 26.015 13.942 1.00 49.73 H new ATOM 979 N GLN A 62 20.151 25.071 9.677 1.00 49.53 N ATOM 980 CA GLN A 62 20.039 24.997 8.191 1.00 50.07 C ATOM 981 C GLN A 62 20.765 26.168 7.524 1.00 50.51 C ATOM 982 O GLN A 62 21.546 26.869 8.190 1.00 49.49 O ATOM 983 CB GLN A 62 18.569 24.989 7.763 1.00 49.82 C ATOM 984 CG GLN A 62 17.805 23.744 8.183 1.00 49.82 C ATOM 985 CD GLN A 62 16.483 23.604 7.453 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.489 24.241 7.812 1.00 49.45 O ATOM 987 NE2 GLN A 62 16.462 22.764 6.424 1.00 49.38 N ATOM 0 H GLN A 62 19.620 25.839 10.087 1.00 49.53 H new ATOM 0 HA GLN A 62 20.510 24.068 7.869 1.00 50.07 H new ATOM 0 HB2 GLN A 62 18.075 25.864 8.184 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.517 25.085 6.678 1.00 49.82 H new ATOM 0 HG2 GLN A 62 18.418 22.863 7.992 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.622 23.778 9.257 1.00 49.82 H new ATOM 0 HE21 GLN A 62 17.308 22.258 6.162 1.00 49.38 H new ATOM 0 HE22 GLN A 62 15.600 22.626 5.896 1.00 49.38 H new ATOM 996 N LYS A 63 20.527 26.389 6.232 1.00 49.53 N ATOM 997 CA LYS A 63 21.201 27.424 5.480 1.00 50.07 C ATOM 998 C LYS A 63 20.628 28.779 5.886 1.00 50.51 C ATOM 999 O LYS A 63 19.435 28.975 6.061 1.00 49.49 O ATOM 1000 CB LYS A 63 21.036 27.199 3.976 1.00 49.82 C ATOM 1001 CG LYS A 63 21.598 28.317 3.108 1.00 49.82 C ATOM 1002 CD LYS A 63 21.744 27.872 1.659 1.00 49.82 C ATOM 1003 CE LYS A 63 22.336 28.978 0.797 1.00 50.21 C ATOM 1004 NZ LYS A 63 22.486 28.557 -0.622 1.00 49.70 N ATOM 0 H LYS A 63 19.858 25.849 5.684 1.00 49.53 H new ATOM 0 HA LYS A 63 22.268 27.396 5.702 1.00 50.07 H new ATOM 0 HB2 LYS A 63 21.526 26.264 3.705 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.976 27.080 3.753 1.00 49.82 H new ATOM 0 HG2 LYS A 63 20.941 29.185 3.160 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.569 28.628 3.495 1.00 49.82 H new ATOM 0 HD2 LYS A 63 22.382 26.989 1.610 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.769 27.583 1.265 1.00 49.82 H new ATOM 0 HE2 LYS A 63 21.697 29.859 0.848 1.00 50.21 H new ATOM 0 HE3 LYS A 63 23.309 29.266 1.195 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 22.892 29.339 -1.175 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 23.116 27.732 -0.674 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 21.554 28.306 -1.010 1.00 49.70 H new ATOM 1018 N GLU A 64 21.581 29.696 6.101 1.00 49.53 N ATOM 1019 CA GLU A 64 21.348 31.063 6.485 1.00 50.07 C ATOM 1020 C GLU A 64 20.780 31.230 7.863 1.00 50.51 C ATOM 1021 O GLU A 64 19.988 32.162 8.153 1.00 49.49 O ATOM 1022 CB GLU A 64 20.429 31.743 5.467 1.00 49.82 C ATOM 1023 CG GLU A 64 21.062 31.974 4.103 1.00 49.72 C ATOM 1024 CD GLU A 64 20.147 32.753 3.201 1.00 50.62 C ATOM 1025 OE1 GLU A 64 19.079 32.272 2.911 1.00 49.24 O ATOM 1026 OE2 GLU A 64 20.466 33.877 2.891 1.00 49.24 O ATOM 0 H GLU A 64 22.573 29.479 6.003 1.00 49.53 H new ATOM 0 HA GLU A 64 22.330 31.537 6.501 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.534 31.134 5.340 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.106 32.702 5.871 1.00 49.82 H new ATOM 0 HG2 GLU A 64 22.002 32.512 4.223 1.00 49.72 H new ATOM 0 HG3 GLU A 64 21.300 31.015 3.643 1.00 49.72 H new ATOM 1033 N SER A 65 21.350 30.482 8.794 1.00 49.53 N ATOM 1034 CA SER A 65 21.023 30.572 10.221 1.00 50.07 C ATOM 1035 C SER A 65 21.961 31.661 10.791 1.00 50.51 C ATOM 1036 O SER A 65 22.815 32.177 10.077 1.00 49.49 O ATOM 1037 CB SER A 65 21.233 29.239 10.913 1.00 50.05 C ATOM 1038 OG SER A 65 20.813 29.268 12.250 1.00 49.34 O ATOM 0 H SER A 65 22.063 29.784 8.584 1.00 49.53 H new ATOM 0 HA SER A 65 19.976 30.827 10.381 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.686 28.463 10.378 1.00 50.05 H new ATOM 0 HB3 SER A 65 22.289 28.971 10.871 1.00 50.05 H new ATOM 0 HG SER A 65 20.964 28.390 12.659 1.00 49.34 H new ATOM 1044 N THR A 66 21.691 32.108 11.988 1.00 49.53 N ATOM 1045 CA THR A 66 22.546 33.075 12.686 1.00 50.07 C ATOM 1046 C THR A 66 23.043 32.507 14.014 1.00 50.51 C ATOM 1047 O THR A 66 22.197 32.241 14.899 1.00 49.49 O ATOM 1048 CB THR A 66 21.805 34.399 12.949 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.411 34.986 11.702 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.700 35.372 13.702 1.00 49.73 C ATOM 0 H THR A 66 20.872 31.820 12.523 1.00 49.53 H new ATOM 0 HA THR A 66 23.398 33.272 12.035 1.00 50.07 H new ATOM 0 HB THR A 66 20.923 34.189 13.555 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.938 35.827 11.871 1.00 49.34 H new ATOM 0 HG21 THR A 66 22.159 36.302 13.879 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.991 34.934 14.657 1.00 49.73 H new ATOM 0 HG23 THR A 66 23.592 35.578 13.111 1.00 49.73 H new ATOM 1058 N LEU A 67 24.349 32.244 14.129 1.00 49.53 N ATOM 1059 CA LEU A 67 24.905 31.799 15.412 1.00 50.07 C ATOM 1060 C LEU A 67 25.566 32.994 16.131 1.00 50.51 C ATOM 1061 O LEU A 67 26.164 33.784 15.383 1.00 49.49 O ATOM 1062 CB LEU A 67 25.921 30.671 15.194 1.00 49.82 C ATOM 1063 CG LEU A 67 25.426 29.508 14.322 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.548 28.501 14.110 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.228 28.848 14.988 1.00 49.73 C ATOM 0 H LEU A 67 25.026 32.328 13.371 1.00 49.53 H new ATOM 0 HA LEU A 67 24.099 31.412 16.035 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.816 31.093 14.736 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.216 30.276 16.166 1.00 49.82 H new ATOM 0 HG LEU A 67 25.120 29.888 13.347 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.188 27.680 13.490 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.386 28.990 13.613 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.875 28.112 15.074 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.877 28.022 14.369 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.519 28.469 15.967 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.428 29.579 15.105 1.00 49.73 H new ATOM 1077 N HIS A 68 25.435 33.076 17.407 1.00 49.53 N ATOM 1078 CA HIS A 68 26.095 34.184 18.138 1.00 50.07 C ATOM 1079 C HIS A 68 27.454 33.765 18.696 1.00 50.51 C ATOM 1080 O HIS A 68 27.583 32.695 19.328 1.00 49.49 O ATOM 1081 CB HIS A 68 25.200 34.689 19.273 1.00 49.92 C ATOM 1082 CG HIS A 68 23.816 35.052 18.833 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.448 36.346 18.529 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.711 34.292 18.644 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.175 36.365 18.172 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.706 35.132 18.234 1.00 49.64 N ATOM 0 H HIS A 68 24.900 32.427 17.984 1.00 49.53 H new ATOM 0 HA HIS A 68 26.258 34.990 17.423 1.00 50.07 H new ATOM 0 HB2 HIS A 68 25.137 33.920 20.043 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.667 35.561 19.731 1.00 49.92 H new ATOM 0 HD2 HIS A 68 22.635 33.224 18.789 1.00 49.95 H new ATOM 0 HE1 HIS A 68 21.614 37.240 17.879 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.751 34.850 18.013 1.00 49.64 H new ATOM 1094 N LEU A 69 28.454 34.615 18.522 1.00 49.53 N ATOM 1095 CA LEU A 69 29.784 34.369 19.070 1.00 50.07 C ATOM 1096 C LEU A 69 30.041 35.241 20.262 1.00 50.51 C ATOM 1097 O LEU A 69 30.005 36.512 20.088 1.00 49.49 O ATOM 1098 CB LEU A 69 30.853 34.603 17.995 1.00 49.82 C ATOM 1099 CG LEU A 69 32.300 34.594 18.502 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.645 33.226 19.074 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.240 34.954 17.362 1.00 49.73 C ATOM 0 H LEU A 69 28.371 35.488 18.002 1.00 49.53 H new ATOM 0 HA LEU A 69 29.834 33.329 19.394 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.749 33.835 17.228 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.659 35.562 17.515 1.00 49.82 H new ATOM 0 HG LEU A 69 32.412 35.333 19.296 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.675 33.230 19.431 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.974 32.998 19.903 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.533 32.469 18.298 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.269 34.948 17.723 1.00 49.73 H new ATOM 0 HD22 LEU A 69 33.133 34.226 16.558 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.993 35.947 16.987 1.00 49.73 H new ATOM 1113 N VAL A 70 30.198 34.701 21.426 1.00 49.53 N ATOM 1114 CA VAL A 70 30.563 35.519 22.619 1.00 50.07 C ATOM 1115 C VAL A 70 32.047 35.237 22.893 1.00 50.51 C ATOM 1116 O VAL A 70 32.475 34.066 22.786 1.00 49.49 O ATOM 1117 CB VAL A 70 29.722 35.153 23.856 1.00 49.91 C ATOM 1118 CG1 VAL A 70 30.169 35.965 25.063 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.243 35.381 23.582 1.00 49.73 C ATOM 0 H VAL A 70 30.088 33.704 21.613 1.00 49.53 H new ATOM 0 HA VAL A 70 30.372 36.574 22.421 1.00 50.07 H new ATOM 0 HB VAL A 70 29.874 34.096 24.074 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.564 35.694 25.928 1.00 49.73 H new ATOM 0 HG12 VAL A 70 31.218 35.756 25.274 1.00 49.73 H new ATOM 0 HG13 VAL A 70 30.046 37.027 24.853 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.664 35.117 24.467 1.00 49.73 H new ATOM 0 HG22 VAL A 70 28.076 36.430 23.338 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.928 34.759 22.744 1.00 49.73 H new ATOM 1129 N LEU A 71 32.811 36.260 23.202 1.00 49.53 N ATOM 1130 CA LEU A 71 34.246 36.073 23.514 1.00 50.07 C ATOM 1131 C LEU A 71 34.415 35.591 24.931 1.00 50.51 C ATOM 1132 O LEU A 71 33.923 36.217 25.890 1.00 49.49 O ATOM 1133 CB LEU A 71 35.012 37.384 23.298 1.00 49.82 C ATOM 1134 CG LEU A 71 36.524 37.305 23.550 1.00 49.91 C ATOM 1135 CD1 LEU A 71 37.151 36.257 22.641 1.00 49.73 C ATOM 1136 CD2 LEU A 71 37.151 38.671 23.313 1.00 49.73 C ATOM 0 H LEU A 71 32.487 37.226 23.249 1.00 49.53 H new ATOM 0 HA LEU A 71 34.654 35.318 22.842 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.847 37.718 22.274 1.00 49.82 H new ATOM 0 HB3 LEU A 71 34.590 38.146 23.954 1.00 49.82 H new ATOM 0 HG LEU A 71 36.706 37.011 24.584 1.00 49.91 H new ATOM 0 HD11 LEU A 71 38.224 36.209 22.827 1.00 49.73 H new ATOM 0 HD12 LEU A 71 36.703 35.284 22.844 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.976 36.527 21.600 1.00 49.73 H new ATOM 0 HD21 LEU A 71 38.225 38.615 23.492 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.971 38.980 22.284 1.00 49.73 H new ATOM 0 HD23 LEU A 71 36.707 39.398 23.993 1.00 49.73 H new ATOM 1148 N ARG A 72 35.138 34.550 25.115 1.00 49.53 N ATOM 1149 CA ARG A 72 35.444 33.994 26.451 1.00 50.07 C ATOM 1150 C ARG A 72 36.869 34.362 26.857 1.00 50.51 C ATOM 1151 O ARG A 72 37.758 33.687 26.249 1.00 49.49 O ATOM 1152 CB ARG A 72 35.209 32.492 26.521 1.00 49.82 C ATOM 1153 CG ARG A 72 33.749 32.075 26.578 1.00 49.82 C ATOM 1154 CD ARG A 72 33.095 32.309 27.891 1.00 50.20 C ATOM 1155 NE ARG A 72 33.716 31.610 29.006 1.00 49.30 N ATOM 1156 CZ ARG A 72 33.485 30.321 29.325 1.00 50.64 C ATOM 1157 NH1 ARG A 72 32.622 29.599 28.644 1.00 49.20 N ATOM 1158 NH2 ARG A 72 34.131 29.808 30.357 1.00 49.20 N ATOM 0 H ARG A 72 35.559 34.024 24.349 1.00 49.53 H new ATOM 0 HA ARG A 72 34.753 34.441 27.165 1.00 50.07 H new ATOM 0 HB2 ARG A 72 35.671 32.026 25.651 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.718 32.100 27.401 1.00 49.82 H new ATOM 0 HG2 ARG A 72 33.198 32.618 25.810 1.00 49.82 H new ATOM 0 HG3 ARG A 72 33.677 31.015 26.333 1.00 49.82 H new ATOM 0 HD2 ARG A 72 33.101 33.379 28.100 1.00 50.20 H new ATOM 0 HD3 ARG A 72 32.051 32.003 27.823 1.00 50.20 H new ATOM 0 HE ARG A 72 34.372 32.132 29.587 1.00 49.30 H new ATOM 0 HH11 ARG A 72 32.116 30.013 27.861 1.00 49.20 H new ATOM 0 HH12 ARG A 72 32.459 28.625 28.899 1.00 49.20 H new ATOM 0 HH21 ARG A 72 34.784 30.385 30.888 1.00 49.20 H new ATOM 0 HH22 ARG A 72 33.977 28.835 30.623 1.00 49.20 H new ATOM 1172 N LEU A 73 37.087 35.248 27.772 1.00 49.53 N ATOM 1173 CA LEU A 73 38.480 35.604 28.144 1.00 50.07 C ATOM 1174 C LEU A 73 38.955 34.694 29.269 1.00 50.51 C ATOM 1175 O LEU A 73 38.175 34.306 30.153 1.00 49.49 O ATOM 1176 CB LEU A 73 38.562 37.076 28.566 1.00 49.82 C ATOM 1177 CG LEU A 73 38.357 38.093 27.436 1.00 49.91 C ATOM 1178 CD1 LEU A 73 38.371 39.508 27.997 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.447 37.917 26.389 1.00 49.73 C ATOM 0 H LEU A 73 36.360 35.747 28.284 1.00 49.53 H new ATOM 0 HA LEU A 73 39.129 35.465 27.279 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.814 37.258 29.337 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.537 37.253 29.020 1.00 49.82 H new ATOM 0 HG LEU A 73 37.388 37.923 26.966 1.00 49.91 H new ATOM 0 HD11 LEU A 73 38.225 40.222 27.187 1.00 49.73 H new ATOM 0 HD12 LEU A 73 37.569 39.618 28.727 1.00 49.73 H new ATOM 0 HD13 LEU A 73 39.329 39.699 28.480 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.301 38.640 25.586 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.422 38.077 26.849 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.400 36.907 25.981 1.00 49.73 H new ATOM 1191 N ARG A 74 40.230 34.353 29.176 1.00 49.53 N ATOM 1192 CA ARG A 74 40.879 33.472 30.160 1.00 50.07 C ATOM 1193 C ARG A 74 41.791 34.285 31.075 1.00 50.51 C ATOM 1194 O ARG A 74 43.024 34.116 31.060 1.00 49.49 O ATOM 1195 CB ARG A 74 41.626 32.322 29.500 1.00 49.82 C ATOM 1196 CG ARG A 74 42.060 31.214 30.447 1.00 49.82 C ATOM 1197 CD ARG A 74 42.682 30.044 29.777 1.00 50.20 C ATOM 1198 NE ARG A 74 43.097 28.982 30.680 1.00 49.30 N ATOM 1199 CZ ARG A 74 42.271 28.051 31.196 1.00 50.64 C ATOM 1200 NH1 ARG A 74 40.983 28.067 30.933 1.00 49.20 N ATOM 1201 NH2 ARG A 74 42.786 27.133 31.994 1.00 49.20 N ATOM 0 H ARG A 74 40.847 34.670 28.428 1.00 49.53 H new ATOM 0 HA ARG A 74 40.096 33.018 30.768 1.00 50.07 H new ATOM 0 HB2 ARG A 74 40.990 31.891 28.727 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.509 32.720 29.001 1.00 49.82 H new ATOM 0 HG2 ARG A 74 42.768 31.624 31.167 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.192 30.875 31.012 1.00 49.82 H new ATOM 0 HD2 ARG A 74 41.974 29.635 29.057 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.550 30.384 29.213 1.00 50.20 H new ATOM 0 HE ARG A 74 44.082 28.939 30.941 1.00 49.30 H new ATOM 0 HH11 ARG A 74 40.595 28.792 30.330 1.00 49.20 H new ATOM 0 HH12 ARG A 74 40.372 27.354 31.332 1.00 49.20 H new ATOM 0 HH21 ARG A 74 43.784 27.142 32.204 1.00 49.20 H new ATOM 0 HH22 ARG A 74 42.186 26.415 32.400 1.00 49.20 H new ATOM 1215 N GLY A 75 41.175 35.234 31.769 1.00 49.53 N ATOM 1216 CA GLY A 75 41.862 36.110 32.708 1.00 49.98 C ATOM 1217 C GLY A 75 41.175 37.461 32.674 1.00 50.51 C ATOM 1218 O GLY A 75 40.719 37.944 31.623 1.00 49.49 O ATOM 0 H GLY A 75 40.175 35.418 31.695 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.830 35.691 33.714 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.913 36.210 32.437 1.00 49.98 H new ATOM 1222 N GLY A 76 41.290 38.144 33.796 1.00 49.53 N ATOM 1223 CA GLY A 76 40.732 39.486 34.021 1.00 49.98 C ATOM 1224 C GLY A 76 40.434 39.609 35.524 1.00 50.51 C ATOM 1225 O GLY A 76 39.334 40.110 35.831 1.00 49.49 O ATOM 0 H GLY A 76 41.788 37.779 34.608 1.00 49.53 H new ATOM 0 HA2 GLY A 76 41.438 40.254 33.705 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.823 39.628 33.436 1.00 49.98 H new TER 1229 GLY A 76