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 Single : A 1 MET CE :methyl -174:sc= -3.73! (180deg=-4.1!) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.03 (180deg=0.521) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -105:sc= 1.19 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 -111:sc= 0.0344 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -131:sc= -0.233 USER MOD Single : A 25 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc=-0.00145 (180deg=-0.0684) USER MOD Single : A 31 GLN : amide:sc= -1.15 K(o=-1.2,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0616 K(o=-0.062,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= -0.832 K(o=-0.83,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0152 (180deg=-0.175) 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 -140:sc= 1 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) 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 44:sc= 0.132 USER MOD Single : A 68 HIS : no HE2:sc= -1.05 K(o=-1,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.222 24.905 2.902 1.00 49.53 N ATOM 2 CA MET A 1 26.150 25.886 3.146 1.00 50.07 C ATOM 3 C MET A 1 26.650 27.167 3.853 1.00 50.51 C ATOM 4 O MET A 1 27.596 27.082 4.637 1.00 49.49 O ATOM 5 CB MET A 1 25.032 25.243 3.964 1.00 49.82 C ATOM 6 CG MET A 1 24.550 23.902 3.428 1.00 49.86 C ATOM 7 SD MET A 1 23.865 24.026 1.763 1.00 49.91 S ATOM 8 CE MET A 1 22.358 24.937 2.084 1.00 49.78 C ATOM 0 H1 MET A 1 26.978 24.322 2.076 1.00 49.53 H new ATOM 0 H2 MET A 1 28.116 25.405 2.721 1.00 49.53 H new ATOM 0 H3 MET A 1 27.330 24.294 3.737 1.00 49.53 H new ATOM 0 HA MET A 1 25.774 26.191 2.170 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.380 25.107 4.988 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.186 25.930 4.003 1.00 49.82 H new ATOM 0 HG2 MET A 1 25.381 23.197 3.423 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.793 23.498 4.099 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.770 25.001 1.169 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.779 24.424 2.852 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.606 25.941 2.427 1.00 49.78 H new ATOM 18 N GLN A 2 25.990 28.242 3.540 1.00 49.53 N ATOM 19 CA GLN A 2 26.360 29.538 4.193 1.00 50.07 C ATOM 20 C GLN A 2 25.539 29.915 5.417 1.00 50.51 C ATOM 21 O GLN A 2 24.277 29.954 5.409 1.00 49.49 O ATOM 22 CB GLN A 2 26.276 30.675 3.171 1.00 49.82 C ATOM 23 CG GLN A 2 27.291 30.576 2.045 1.00 49.82 C ATOM 24 CD GLN A 2 27.159 31.710 1.047 1.00 50.55 C ATOM 25 OE1 GLN A 2 26.332 32.610 1.214 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.973 31.671 -0.001 1.00 49.38 N ATOM 0 H GLN A 2 25.221 28.288 2.872 1.00 49.53 H new ATOM 0 HA GLN A 2 27.377 29.387 4.554 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.274 30.690 2.742 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.415 31.624 3.688 1.00 49.82 H new ATOM 0 HG2 GLN A 2 28.297 30.580 2.465 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.165 29.624 1.528 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.642 30.907 -0.099 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.929 32.405 -0.708 1.00 49.38 H new ATOM 35 N ILE A 3 26.242 30.141 6.517 1.00 49.53 N ATOM 36 CA ILE A 3 25.593 30.656 7.737 1.00 50.07 C ATOM 37 C ILE A 3 26.356 31.921 8.230 1.00 50.51 C ATOM 38 O ILE A 3 27.538 31.982 7.933 1.00 49.49 O ATOM 39 CB ILE A 3 25.566 29.603 8.860 1.00 49.91 C ATOM 40 CG1 ILE A 3 26.991 29.188 9.237 1.00 49.82 C ATOM 41 CG2 ILE A 3 24.752 28.391 8.433 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.066 28.315 10.469 1.00 49.73 C ATOM 0 H ILE A 3 27.246 29.982 6.601 1.00 49.53 H new ATOM 0 HA ILE A 3 24.561 30.906 7.490 1.00 50.07 H new ATOM 0 HB ILE A 3 25.092 30.044 9.737 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.438 28.655 8.398 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.589 30.084 9.401 1.00 49.82 H new ATOM 0 HG21 ILE A 3 24.743 27.657 9.238 1.00 49.73 H new ATOM 0 HG22 ILE A 3 23.730 28.699 8.211 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.199 27.948 7.543 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.106 28.062 10.673 1.00 49.73 H new ATOM 0 HD12 ILE A 3 26.649 28.852 11.321 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.496 27.401 10.302 1.00 49.73 H new ATOM 54 N PHE A 4 25.605 32.758 8.906 1.00 49.53 N ATOM 55 CA PHE A 4 26.263 34.012 9.435 1.00 50.07 C ATOM 56 C PHE A 4 26.518 34.061 10.914 1.00 50.51 C ATOM 57 O PHE A 4 25.617 33.614 11.641 1.00 49.49 O ATOM 58 CB PHE A 4 25.437 35.234 9.029 1.00 49.82 C ATOM 59 CG PHE A 4 25.558 35.591 7.574 1.00 50.00 C ATOM 60 CD1 PHE A 4 24.864 34.876 6.609 1.00 49.88 C ATOM 61 CD2 PHE A 4 26.367 36.642 7.168 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.975 35.204 5.271 1.00 49.88 C ATOM 63 CE2 PHE A 4 26.479 36.971 5.831 1.00 49.88 C ATOM 64 CZ PHE A 4 25.782 36.252 4.882 1.00 49.88 C ATOM 0 H PHE A 4 24.612 32.645 9.111 1.00 49.53 H new ATOM 0 HA PHE A 4 27.254 34.010 8.980 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.389 35.046 9.262 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.749 36.088 9.630 1.00 49.82 H new ATOM 0 HD1 PHE A 4 24.230 34.054 6.906 1.00 49.88 H new ATOM 0 HD2 PHE A 4 26.915 37.209 7.905 1.00 49.88 H new ATOM 0 HE1 PHE A 4 24.429 34.639 4.530 1.00 49.88 H new ATOM 0 HE2 PHE A 4 27.113 37.792 5.528 1.00 49.88 H new ATOM 0 HZ PHE A 4 25.868 36.510 3.837 1.00 49.88 H new ATOM 74 N VAL A 5 27.630 34.607 11.397 1.00 49.53 N ATOM 75 CA VAL A 5 27.861 34.750 12.821 1.00 50.07 C ATOM 76 C VAL A 5 27.873 36.247 13.213 1.00 50.51 C ATOM 77 O VAL A 5 28.838 36.868 12.753 1.00 49.49 O ATOM 78 CB VAL A 5 29.192 34.102 13.248 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.420 34.290 14.740 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.204 32.624 12.890 1.00 49.73 C ATOM 0 H VAL A 5 28.388 34.959 10.813 1.00 49.53 H new ATOM 0 HA VAL A 5 27.048 34.239 13.337 1.00 50.07 H new ATOM 0 HB VAL A 5 30.003 34.593 12.710 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.364 33.826 15.025 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.454 35.355 14.972 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.605 33.824 15.294 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.152 32.183 13.199 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.385 32.119 13.402 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.085 32.510 11.813 1.00 49.73 H new ATOM 90 N LYS A 6 26.886 36.678 13.918 1.00 49.53 N ATOM 91 CA LYS A 6 26.802 38.130 14.303 1.00 50.07 C ATOM 92 C LYS A 6 27.656 38.303 15.530 1.00 50.51 C ATOM 93 O LYS A 6 27.579 37.484 16.473 1.00 49.49 O ATOM 94 CB LYS A 6 25.357 38.545 14.580 1.00 49.82 C ATOM 95 CG LYS A 6 25.199 39.971 15.093 1.00 49.82 C ATOM 96 CD LYS A 6 23.832 40.183 15.727 1.00 49.82 C ATOM 97 CE LYS A 6 22.731 40.204 14.676 1.00 50.21 C ATOM 98 NZ LYS A 6 21.400 40.502 15.271 1.00 49.70 N ATOM 0 H LYS A 6 26.119 36.097 14.256 1.00 49.53 H new ATOM 0 HA LYS A 6 27.155 38.765 13.490 1.00 50.07 H new ATOM 0 HB2 LYS A 6 24.778 38.436 13.663 1.00 49.82 H new ATOM 0 HB3 LYS A 6 24.929 37.859 15.311 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.978 40.185 15.824 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.333 40.673 14.270 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.635 39.388 16.447 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.827 41.122 16.280 1.00 49.82 H new ATOM 0 HE2 LYS A 6 22.966 40.953 13.919 1.00 50.21 H new ATOM 0 HE3 LYS A 6 22.694 39.239 14.170 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 20.678 40.507 14.522 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 21.164 39.774 15.975 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 21.427 41.434 15.732 1.00 49.70 H new ATOM 112 N THR A 7 28.547 39.319 15.523 1.00 49.53 N ATOM 113 CA THR A 7 29.414 39.549 16.689 1.00 50.07 C ATOM 114 C THR A 7 28.825 40.683 17.531 1.00 50.51 C ATOM 115 O THR A 7 27.815 41.251 17.107 1.00 49.49 O ATOM 116 CB THR A 7 30.851 39.912 16.272 1.00 50.14 C ATOM 117 OG1 THR A 7 30.874 41.239 15.730 1.00 49.34 O ATOM 118 CG2 THR A 7 31.367 38.934 15.229 1.00 49.73 C ATOM 0 H THR A 7 28.680 39.970 14.749 1.00 49.53 H new ATOM 0 HA THR A 7 29.460 38.626 17.267 1.00 50.07 H new ATOM 0 HB THR A 7 31.492 39.860 17.152 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.970 41.193 14.756 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.384 39.206 14.946 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.363 37.925 15.642 1.00 49.73 H new ATOM 0 HG23 THR A 7 30.725 38.968 14.349 1.00 49.73 H new ATOM 126 N LEU A 8 29.528 41.123 18.553 1.00 49.53 N ATOM 127 CA LEU A 8 29.005 42.186 19.440 1.00 50.07 C ATOM 128 C LEU A 8 29.361 43.599 19.020 1.00 50.51 C ATOM 129 O LEU A 8 28.703 44.557 19.468 1.00 49.49 O ATOM 130 CB LEU A 8 29.482 41.940 20.877 1.00 49.82 C ATOM 131 CG LEU A 8 28.698 40.874 21.651 1.00 49.91 C ATOM 132 CD1 LEU A 8 28.591 39.600 20.823 1.00 49.73 C ATOM 133 CD2 LEU A 8 29.388 40.597 22.978 1.00 49.73 C ATOM 0 H LEU A 8 30.454 40.777 18.803 1.00 49.53 H new ATOM 0 HA LEU A 8 27.919 42.122 19.367 1.00 50.07 H new ATOM 0 HB2 LEU A 8 30.532 41.648 20.849 1.00 49.82 H new ATOM 0 HB3 LEU A 8 29.427 42.879 21.427 1.00 49.82 H new ATOM 0 HG LEU A 8 27.690 41.238 21.849 1.00 49.91 H new ATOM 0 HD11 LEU A 8 28.032 38.849 21.382 1.00 49.73 H new ATOM 0 HD12 LEU A 8 28.074 39.816 19.888 1.00 49.73 H new ATOM 0 HD13 LEU A 8 29.590 39.222 20.606 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.830 39.839 23.527 1.00 49.73 H new ATOM 0 HD22 LEU A 8 30.401 40.239 22.794 1.00 49.73 H new ATOM 0 HD23 LEU A 8 29.429 41.514 23.565 1.00 49.73 H new ATOM 145 N THR A 9 30.364 43.755 18.136 1.00 49.53 N ATOM 146 CA THR A 9 30.678 45.172 17.751 1.00 50.07 C ATOM 147 C THR A 9 30.152 45.648 16.430 1.00 50.51 C ATOM 148 O THR A 9 30.371 46.801 16.015 1.00 49.49 O ATOM 149 CB THR A 9 32.200 45.415 17.770 1.00 50.14 C ATOM 150 OG1 THR A 9 32.856 44.411 16.985 1.00 49.34 O ATOM 151 CG2 THR A 9 32.729 45.366 19.195 1.00 49.73 C ATOM 0 H THR A 9 30.925 43.019 17.707 1.00 49.53 H new ATOM 0 HA THR A 9 30.149 45.751 18.508 1.00 50.07 H new ATOM 0 HB THR A 9 32.402 46.401 17.352 1.00 50.14 H new ATOM 0 HG1 THR A 9 33.823 44.567 16.996 1.00 49.34 H new ATOM 0 HG21 THR A 9 33.805 45.540 19.190 1.00 49.73 H new ATOM 0 HG22 THR A 9 32.240 46.136 19.791 1.00 49.73 H new ATOM 0 HG23 THR A 9 32.521 44.387 19.627 1.00 49.73 H new ATOM 159 N GLY A 10 29.520 44.795 15.685 1.00 49.53 N ATOM 160 CA GLY A 10 28.957 45.116 14.393 1.00 49.98 C ATOM 161 C GLY A 10 29.375 44.268 13.229 1.00 50.51 C ATOM 162 O GLY A 10 28.538 43.921 12.366 1.00 49.49 O ATOM 0 H GLY A 10 29.373 43.824 15.960 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.871 45.063 14.476 1.00 49.98 H new ATOM 0 HA3 GLY A 10 29.209 46.151 14.163 1.00 49.98 H new ATOM 166 N LYS A 11 30.648 43.978 13.150 1.00 49.53 N ATOM 167 CA LYS A 11 31.185 43.078 12.137 1.00 50.07 C ATOM 168 C LYS A 11 30.544 41.673 12.068 1.00 50.51 C ATOM 169 O LYS A 11 30.261 41.139 13.136 1.00 49.49 O ATOM 170 CB LYS A 11 32.696 42.932 12.328 1.00 49.82 C ATOM 171 CG LYS A 11 33.509 44.123 11.840 1.00 49.82 C ATOM 172 CD LYS A 11 34.965 44.009 12.263 1.00 49.82 C ATOM 173 CE LYS A 11 35.714 45.313 12.030 1.00 50.21 C ATOM 174 NZ LYS A 11 35.901 45.597 10.581 1.00 49.70 N ATOM 0 H LYS A 11 31.352 44.356 13.784 1.00 49.53 H new ATOM 0 HA LYS A 11 30.935 43.552 11.188 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.903 42.776 13.387 1.00 49.82 H new ATOM 0 HB3 LYS A 11 33.032 42.038 11.802 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.448 44.187 10.754 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.083 45.044 12.238 1.00 49.82 H new ATOM 0 HD2 LYS A 11 35.019 43.740 13.318 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.446 43.206 11.704 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.166 46.134 12.493 1.00 50.21 H new ATOM 0 HE3 LYS A 11 36.687 45.264 12.519 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 36.415 46.494 10.467 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 36.446 44.827 10.144 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 34.972 45.669 10.119 1.00 49.70 H new ATOM 188 N THR A 12 30.401 41.151 10.865 1.00 49.53 N ATOM 189 CA THR A 12 29.874 39.777 10.771 1.00 50.07 C ATOM 190 C THR A 12 30.798 38.837 9.999 1.00 50.51 C ATOM 191 O THR A 12 31.348 39.310 9.001 1.00 49.49 O ATOM 192 CB THR A 12 28.482 39.756 10.110 1.00 50.14 C ATOM 193 OG1 THR A 12 28.604 40.105 8.725 1.00 49.34 O ATOM 194 CG2 THR A 12 27.551 40.743 10.798 1.00 49.73 C ATOM 0 H THR A 12 30.622 41.611 9.982 1.00 49.53 H new ATOM 0 HA THR A 12 29.804 39.420 11.798 1.00 50.07 H new ATOM 0 HB THR A 12 28.065 38.753 10.204 1.00 50.14 H new ATOM 0 HG1 THR A 12 27.719 40.090 8.305 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.573 40.715 10.318 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.448 40.474 11.849 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.965 41.748 10.720 1.00 49.73 H new ATOM 202 N ILE A 13 30.981 37.628 10.529 1.00 49.53 N ATOM 203 CA ILE A 13 31.883 36.724 9.756 1.00 50.07 C ATOM 204 C ILE A 13 31.015 35.685 9.100 1.00 50.51 C ATOM 205 O ILE A 13 30.148 35.090 9.769 1.00 49.49 O ATOM 206 CB ILE A 13 32.928 36.040 10.655 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.264 34.972 11.529 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.643 37.067 11.518 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.231 34.219 12.414 1.00 49.73 C ATOM 0 H ILE A 13 30.576 37.264 11.392 1.00 49.53 H new ATOM 0 HA ILE A 13 32.437 37.308 9.021 1.00 50.07 H new ATOM 0 HB ILE A 13 33.667 35.554 10.018 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.508 35.447 12.154 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.745 34.261 10.886 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.378 36.565 12.147 1.00 49.73 H new ATOM 0 HG22 ILE A 13 34.147 37.792 10.879 1.00 49.73 H new ATOM 0 HG23 ILE A 13 32.917 37.581 12.148 1.00 49.73 H new ATOM 0 HD11 ILE A 13 32.686 33.481 13.002 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.973 33.714 11.795 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.732 34.918 13.083 1.00 49.73 H new ATOM 221 N THR A 14 31.109 35.537 7.799 1.00 49.53 N ATOM 222 CA THR A 14 30.273 34.473 7.169 1.00 50.07 C ATOM 223 C THR A 14 31.038 33.201 6.910 1.00 50.51 C ATOM 224 O THR A 14 32.159 33.240 6.341 1.00 49.49 O ATOM 225 CB THR A 14 29.658 34.957 5.843 1.00 50.14 C ATOM 226 OG1 THR A 14 28.932 36.174 6.067 1.00 49.34 O ATOM 227 CG2 THR A 14 28.715 33.907 5.277 1.00 49.73 C ATOM 0 H THR A 14 31.701 36.081 7.172 1.00 49.53 H new ATOM 0 HA THR A 14 29.484 34.257 7.890 1.00 50.07 H new ATOM 0 HB THR A 14 30.463 35.130 5.129 1.00 50.14 H new ATOM 0 HG1 THR A 14 27.972 36.005 5.967 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.290 34.267 4.340 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.265 32.984 5.095 1.00 49.73 H new ATOM 0 HG23 THR A 14 27.913 33.716 5.990 1.00 49.73 H new ATOM 235 N LEU A 15 30.471 32.048 7.231 1.00 49.53 N ATOM 236 CA LEU A 15 31.135 30.778 7.033 1.00 50.07 C ATOM 237 C LEU A 15 30.426 29.850 6.041 1.00 50.51 C ATOM 238 O LEU A 15 29.215 29.998 5.955 1.00 49.49 O ATOM 239 CB LEU A 15 31.304 30.066 8.381 1.00 49.82 C ATOM 240 CG LEU A 15 32.666 30.264 9.059 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.632 31.497 9.951 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.019 29.024 9.867 1.00 49.73 C ATOM 0 H LEU A 15 29.538 31.971 7.636 1.00 49.53 H new ATOM 0 HA LEU A 15 32.105 31.008 6.593 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.525 30.416 9.058 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.142 28.998 8.233 1.00 49.82 H new ATOM 0 HG LEU A 15 33.431 30.415 8.297 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.604 31.628 10.427 1.00 49.73 H new ATOM 0 HD12 LEU A 15 32.402 32.376 9.349 1.00 49.73 H new ATOM 0 HD13 LEU A 15 31.867 31.371 10.717 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.987 29.166 10.348 1.00 49.73 H new ATOM 0 HD22 LEU A 15 32.257 28.856 10.628 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.067 28.160 9.205 1.00 49.73 H new ATOM 254 N GLU A 16 31.198 28.969 5.448 1.00 49.53 N ATOM 255 CA GLU A 16 30.529 27.951 4.575 1.00 50.07 C ATOM 256 C GLU A 16 30.721 26.576 5.178 1.00 50.51 C ATOM 257 O GLU A 16 31.816 26.025 5.077 1.00 49.49 O ATOM 258 CB GLU A 16 31.098 27.996 3.154 1.00 49.82 C ATOM 259 CG GLU A 16 30.275 27.237 2.124 1.00 49.72 C ATOM 260 CD GLU A 16 30.669 27.617 0.723 1.00 50.62 C ATOM 261 OE1 GLU A 16 31.808 27.423 0.374 1.00 49.24 O ATOM 262 OE2 GLU A 16 29.805 27.996 -0.034 1.00 49.24 O ATOM 0 H GLU A 16 32.213 28.909 5.523 1.00 49.53 H new ATOM 0 HA GLU A 16 29.464 28.176 4.515 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.179 29.037 2.841 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.108 27.587 3.167 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.412 26.165 2.264 1.00 49.72 H new ATOM 0 HG3 GLU A 16 29.216 27.446 2.276 1.00 49.72 H new ATOM 269 N VAL A 17 29.664 26.162 5.861 1.00 49.53 N ATOM 270 CA VAL A 17 29.650 24.882 6.562 1.00 50.07 C ATOM 271 C VAL A 17 28.675 23.824 6.027 1.00 50.51 C ATOM 272 O VAL A 17 27.671 24.135 5.345 1.00 49.49 O ATOM 273 CB VAL A 17 29.360 25.087 8.061 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.513 25.817 8.731 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.061 25.857 8.251 1.00 49.73 C ATOM 0 H VAL A 17 28.799 26.696 5.946 1.00 49.53 H new ATOM 0 HA VAL A 17 30.651 24.488 6.385 1.00 50.07 H new ATOM 0 HB VAL A 17 29.253 24.108 8.529 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.291 25.953 9.789 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.426 25.231 8.624 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.650 26.791 8.261 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.871 25.993 9.316 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.142 26.831 7.769 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.238 25.299 7.804 1.00 49.73 H new ATOM 285 N GLU A 18 29.055 22.601 6.328 1.00 49.53 N ATOM 286 CA GLU A 18 28.255 21.410 6.041 1.00 50.07 C ATOM 287 C GLU A 18 27.735 20.963 7.400 1.00 50.51 C ATOM 288 O GLU A 18 28.456 20.961 8.385 1.00 49.49 O ATOM 289 CB GLU A 18 29.096 20.315 5.381 1.00 49.82 C ATOM 290 CG GLU A 18 29.882 20.776 4.161 1.00 49.72 C ATOM 291 CD GLU A 18 28.986 21.440 3.153 1.00 50.62 C ATOM 292 OE1 GLU A 18 27.945 20.900 2.866 1.00 49.24 O ATOM 293 OE2 GLU A 18 29.289 22.539 2.753 1.00 49.24 O ATOM 0 H GLU A 18 29.942 22.393 6.787 1.00 49.53 H new ATOM 0 HA GLU A 18 27.448 21.619 5.338 1.00 50.07 H new ATOM 0 HB2 GLU A 18 29.793 19.915 6.118 1.00 49.82 H new ATOM 0 HB3 GLU A 18 28.439 19.497 5.087 1.00 49.82 H new ATOM 0 HG2 GLU A 18 30.663 21.471 4.470 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.379 19.922 3.702 1.00 49.72 H new ATOM 300 N PRO A 19 26.462 20.622 7.470 1.00 49.71 N ATOM 301 CA PRO A 19 25.846 20.129 8.702 1.00 50.02 C ATOM 302 C PRO A 19 26.584 18.939 9.264 1.00 50.51 C ATOM 303 O PRO A 19 26.494 18.626 10.460 1.00 49.49 O ATOM 304 CB PRO A 19 24.416 19.741 8.264 1.00 49.82 C ATOM 305 CG PRO A 19 24.152 20.675 7.129 1.00 49.82 C ATOM 306 CD PRO A 19 25.491 20.666 6.348 1.00 50.00 C ATOM 0 HA PRO A 19 25.862 20.873 9.499 1.00 50.02 H new ATOM 0 HB2 PRO A 19 24.358 18.698 7.952 1.00 49.82 H new ATOM 0 HB3 PRO A 19 23.696 19.872 9.072 1.00 49.82 H new ATOM 0 HG2 PRO A 19 23.322 20.333 6.510 1.00 49.82 H new ATOM 0 HG3 PRO A 19 23.897 21.675 7.481 1.00 49.82 H new ATOM 0 HD2 PRO A 19 25.580 19.802 5.689 1.00 50.00 H new ATOM 0 HD3 PRO A 19 25.615 21.554 5.728 1.00 50.00 H new ATOM 314 N SER A 20 27.291 18.215 8.414 1.00 49.53 N ATOM 315 CA SER A 20 27.998 17.007 8.870 1.00 50.07 C ATOM 316 C SER A 20 29.253 17.412 9.606 1.00 50.51 C ATOM 317 O SER A 20 30.043 16.517 9.953 1.00 49.49 O ATOM 318 CB SER A 20 28.330 16.111 7.692 1.00 50.05 C ATOM 319 OG SER A 20 27.179 15.616 7.065 1.00 49.34 O ATOM 0 H SER A 20 27.397 18.427 7.422 1.00 49.53 H new ATOM 0 HA SER A 20 27.355 16.444 9.547 1.00 50.07 H new ATOM 0 HB2 SER A 20 28.924 16.669 6.969 1.00 50.05 H new ATOM 0 HB3 SER A 20 28.944 15.277 8.033 1.00 50.05 H new ATOM 0 HG SER A 20 27.437 15.045 6.311 1.00 49.34 H new ATOM 325 N ASP A 21 29.495 18.721 9.707 1.00 49.53 N ATOM 326 CA ASP A 21 30.738 19.134 10.409 1.00 50.07 C ATOM 327 C ASP A 21 30.575 18.902 11.889 1.00 50.51 C ATOM 328 O ASP A 21 29.479 18.539 12.362 1.00 49.49 O ATOM 329 CB ASP A 21 31.056 20.606 10.132 1.00 49.72 C ATOM 330 CG ASP A 21 31.567 20.884 8.725 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.067 19.976 8.106 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.315 21.954 8.224 1.00 49.24 O ATOM 0 H ASP A 21 28.906 19.472 9.347 1.00 49.53 H new ATOM 0 HA ASP A 21 31.570 18.536 10.038 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.157 21.198 10.303 1.00 49.72 H new ATOM 0 HB3 ASP A 21 31.802 20.946 10.850 1.00 49.72 H new ATOM 337 N THR A 22 31.625 19.193 12.638 1.00 49.53 N ATOM 338 CA THR A 22 31.594 19.110 14.079 1.00 50.07 C ATOM 339 C THR A 22 31.558 20.593 14.514 1.00 50.51 C ATOM 340 O THR A 22 31.713 21.481 13.672 1.00 49.49 O ATOM 341 CB THR A 22 32.836 18.408 14.661 1.00 50.14 C ATOM 342 OG1 THR A 22 33.989 19.238 14.472 1.00 49.34 O ATOM 343 CG2 THR A 22 33.061 17.069 13.976 1.00 49.73 C ATOM 0 H THR A 22 32.523 19.494 12.258 1.00 49.53 H new ATOM 0 HA THR A 22 30.749 18.520 14.435 1.00 50.07 H new ATOM 0 HB THR A 22 32.674 18.237 15.725 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.715 18.706 14.085 1.00 49.34 H new ATOM 0 HG21 THR A 22 33.942 16.587 14.400 1.00 49.73 H new ATOM 0 HG22 THR A 22 32.190 16.431 14.129 1.00 49.73 H new ATOM 0 HG23 THR A 22 33.212 17.227 12.908 1.00 49.73 H new ATOM 351 N ILE A 23 31.259 20.754 15.805 1.00 49.53 N ATOM 352 CA ILE A 23 31.268 22.079 16.417 1.00 50.07 C ATOM 353 C ILE A 23 32.716 22.573 16.441 1.00 50.51 C ATOM 354 O ILE A 23 33.031 23.722 16.083 1.00 49.49 O ATOM 355 CB ILE A 23 30.702 22.059 17.848 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.187 21.843 17.820 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.045 23.351 18.574 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.452 22.790 16.900 1.00 49.73 C ATOM 0 H ILE A 23 31.011 19.993 16.437 1.00 49.53 H new ATOM 0 HA ILE A 23 30.632 22.744 15.832 1.00 50.07 H new ATOM 0 HB ILE A 23 31.158 21.230 18.389 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.981 20.818 17.511 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.795 21.956 18.831 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.637 23.320 19.584 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.128 23.464 18.623 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.616 24.196 18.035 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.384 22.575 16.934 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.626 23.817 17.221 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.815 22.662 15.880 1.00 49.73 H new ATOM 370 N GLU A 24 33.618 21.714 16.856 1.00 49.53 N ATOM 371 CA GLU A 24 35.074 22.083 16.852 1.00 50.07 C ATOM 372 C GLU A 24 35.546 22.544 15.495 1.00 50.51 C ATOM 373 O GLU A 24 36.244 23.579 15.365 1.00 49.49 O ATOM 374 CB GLU A 24 35.922 20.902 17.324 1.00 49.82 C ATOM 375 CG GLU A 24 37.380 21.244 17.599 1.00 49.72 C ATOM 376 CD GLU A 24 37.502 22.302 18.659 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.518 22.597 19.294 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.601 22.737 18.914 1.00 49.24 O ATOM 0 H GLU A 24 33.411 20.775 17.197 1.00 49.53 H new ATOM 0 HA GLU A 24 35.193 22.919 17.541 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.480 20.493 18.233 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.882 20.117 16.569 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.913 20.347 17.914 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.854 21.590 16.681 1.00 49.72 H new ATOM 385 N ASN A 25 35.220 21.782 14.464 1.00 49.53 N ATOM 386 CA ASN A 25 35.597 22.065 13.073 1.00 50.07 C ATOM 387 C ASN A 25 35.250 23.526 12.792 1.00 50.51 C ATOM 388 O ASN A 25 36.090 24.295 12.280 1.00 49.49 O ATOM 389 CB ASN A 25 34.892 21.143 12.094 1.00 49.82 C ATOM 390 CG ASN A 25 35.715 20.805 10.882 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.774 21.397 10.641 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.194 19.916 10.076 1.00 49.38 N ATOM 0 H ASN A 25 34.673 20.927 14.565 1.00 49.53 H new ATOM 0 HA ASN A 25 36.664 21.889 12.940 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.622 20.220 12.608 1.00 49.82 H new ATOM 0 HB3 ASN A 25 33.962 21.612 11.772 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.664 19.683 9.202 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.317 19.456 10.322 1.00 49.38 H new ATOM 399 N VAL A 26 34.022 23.871 13.153 1.00 49.53 N ATOM 400 CA VAL A 26 33.554 25.242 12.978 1.00 50.07 C ATOM 401 C VAL A 26 34.490 26.284 13.581 1.00 50.51 C ATOM 402 O VAL A 26 34.929 27.219 12.905 1.00 49.49 O ATOM 403 CB VAL A 26 32.150 25.430 13.582 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.710 26.882 13.463 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.147 24.513 12.897 1.00 49.73 C ATOM 0 H VAL A 26 33.340 23.233 13.563 1.00 49.53 H new ATOM 0 HA VAL A 26 33.527 25.401 11.900 1.00 50.07 H new ATOM 0 HB VAL A 26 32.192 25.167 14.639 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.716 26.997 13.895 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.414 27.520 13.997 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.685 27.170 12.412 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.161 24.660 13.337 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.108 24.746 11.833 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.453 23.475 13.030 1.00 49.73 H new ATOM 415 N LYS A 27 34.821 26.095 14.853 1.00 49.53 N ATOM 416 CA LYS A 27 35.713 27.035 15.548 1.00 50.07 C ATOM 417 C LYS A 27 37.133 26.850 15.041 1.00 50.51 C ATOM 418 O LYS A 27 37.960 27.784 15.197 1.00 49.49 O ATOM 419 CB LYS A 27 35.653 26.823 17.061 1.00 49.82 C ATOM 420 CG LYS A 27 34.272 27.023 17.670 1.00 49.82 C ATOM 421 CD LYS A 27 34.353 27.193 19.180 1.00 49.82 C ATOM 422 CE LYS A 27 34.693 25.880 19.868 1.00 50.21 C ATOM 423 NZ LYS A 27 34.662 26.004 21.351 1.00 49.70 N ATOM 0 H LYS A 27 34.495 25.314 15.423 1.00 49.53 H new ATOM 0 HA LYS A 27 35.386 28.054 15.341 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.994 25.813 17.288 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.351 27.510 17.540 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.801 27.901 17.228 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.640 26.168 17.432 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.109 27.940 19.424 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.401 27.568 19.557 1.00 49.82 H new ATOM 0 HE2 LYS A 27 33.986 25.112 19.553 1.00 50.21 H new ATOM 0 HE3 LYS A 27 35.683 25.551 19.552 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 34.899 25.087 21.781 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 35.354 26.718 21.654 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.711 26.293 21.655 1.00 49.70 H new ATOM 437 N ALA A 28 37.451 25.694 14.497 1.00 49.53 N ATOM 438 CA ALA A 28 38.776 25.439 13.919 1.00 50.07 C ATOM 439 C ALA A 28 38.883 26.378 12.730 1.00 50.51 C ATOM 440 O ALA A 28 39.965 27.022 12.507 1.00 49.49 O ATOM 441 CB ALA A 28 38.925 23.967 13.492 1.00 49.73 C ATOM 0 H ALA A 28 36.811 24.902 14.438 1.00 49.53 H new ATOM 0 HA ALA A 28 39.573 25.617 14.641 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.917 23.810 13.068 1.00 49.73 H new ATOM 0 HB2 ALA A 28 38.795 23.321 14.361 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.169 23.727 12.745 1.00 49.73 H new ATOM 447 N LYS A 29 37.831 26.543 11.942 1.00 49.53 N ATOM 448 CA LYS A 29 37.841 27.507 10.823 1.00 50.07 C ATOM 449 C LYS A 29 37.855 28.989 11.241 1.00 50.51 C ATOM 450 O LYS A 29 38.695 29.814 10.806 1.00 49.49 O ATOM 451 CB LYS A 29 36.647 27.250 9.903 1.00 49.82 C ATOM 452 CG LYS A 29 36.665 25.893 9.211 1.00 49.82 C ATOM 453 CD LYS A 29 35.339 25.604 8.526 1.00 49.82 C ATOM 454 CE LYS A 29 35.328 24.214 7.906 1.00 50.21 C ATOM 455 NZ LYS A 29 36.305 24.094 6.791 1.00 49.70 N ATOM 0 H LYS A 29 36.956 26.029 12.046 1.00 49.53 H new ATOM 0 HA LYS A 29 38.785 27.335 10.305 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.730 27.334 10.486 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.615 28.031 9.143 1.00 49.82 H new ATOM 0 HG2 LYS A 29 37.469 25.868 8.476 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.877 25.113 9.942 1.00 49.82 H new ATOM 0 HD2 LYS A 29 34.528 25.688 9.249 1.00 49.82 H new ATOM 0 HD3 LYS A 29 35.156 26.351 7.753 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.559 23.474 8.672 1.00 50.21 H new ATOM 0 HE3 LYS A 29 34.327 23.989 7.537 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 36.172 23.182 6.310 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 36.155 24.868 6.113 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 37.272 24.148 7.170 1.00 49.70 H new ATOM 469 N ILE A 30 36.952 29.335 12.159 1.00 49.53 N ATOM 470 CA ILE A 30 36.889 30.732 12.626 1.00 50.07 C ATOM 471 C ILE A 30 38.309 31.012 13.135 1.00 50.51 C ATOM 472 O ILE A 30 38.906 32.050 12.766 1.00 49.49 O ATOM 473 CB ILE A 30 35.866 30.933 13.758 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.439 30.787 13.222 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.055 32.293 14.412 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.374 30.860 14.291 1.00 49.73 C ATOM 0 H ILE A 30 36.276 28.700 12.584 1.00 49.53 H new ATOM 0 HA ILE A 30 36.567 31.404 11.831 1.00 50.07 H new ATOM 0 HB ILE A 30 36.030 30.164 14.513 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.256 31.570 12.486 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.353 29.833 12.701 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.323 32.418 15.210 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.060 32.360 14.828 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.917 33.077 13.667 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.391 30.749 13.833 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.530 30.060 15.015 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.432 31.824 14.797 1.00 49.73 H new ATOM 488 N GLN A 31 38.835 30.186 14.004 1.00 49.53 N ATOM 489 CA GLN A 31 40.225 30.454 14.488 1.00 50.07 C ATOM 490 C GLN A 31 41.099 30.975 13.337 1.00 50.51 C ATOM 491 O GLN A 31 41.517 32.151 13.213 1.00 49.49 O ATOM 492 CB GLN A 31 40.844 29.183 15.078 1.00 49.82 C ATOM 493 CG GLN A 31 42.234 29.380 15.660 1.00 49.82 C ATOM 494 CD GLN A 31 42.800 28.103 16.251 1.00 50.55 C ATOM 495 OE1 GLN A 31 42.185 27.037 16.164 1.00 49.45 O ATOM 496 NE2 GLN A 31 43.975 28.205 16.862 1.00 49.38 N ATOM 0 H GLN A 31 38.379 29.360 14.391 1.00 49.53 H new ATOM 0 HA GLN A 31 40.175 31.214 15.268 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.186 28.800 15.858 1.00 49.82 H new ATOM 0 HB3 GLN A 31 40.893 28.421 14.300 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.903 29.744 14.880 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.196 30.149 16.432 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.448 29.107 16.910 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.404 27.381 17.283 1.00 49.38 H new ATOM 505 N ASP A 32 41.433 30.050 12.469 1.00 49.53 N ATOM 506 CA ASP A 32 42.258 30.390 11.287 1.00 50.07 C ATOM 507 C ASP A 32 41.909 31.715 10.641 1.00 50.51 C ATOM 508 O ASP A 32 42.735 32.646 10.495 1.00 49.49 O ATOM 509 CB ASP A 32 42.165 29.274 10.244 1.00 49.72 C ATOM 510 CG ASP A 32 42.737 27.939 10.699 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.220 27.867 11.804 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.548 26.968 10.006 1.00 49.24 O ATOM 0 H ASP A 32 41.163 29.069 12.537 1.00 49.53 H new ATOM 0 HA ASP A 32 43.277 30.491 11.659 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.119 29.134 9.972 1.00 49.72 H new ATOM 0 HB3 ASP A 32 42.689 29.591 9.342 1.00 49.72 H new ATOM 517 N LYS A 33 40.651 31.869 10.188 1.00 49.53 N ATOM 518 CA LYS A 33 40.357 33.138 9.469 1.00 50.07 C ATOM 519 C LYS A 33 40.040 34.372 10.239 1.00 50.51 C ATOM 520 O LYS A 33 40.681 35.431 9.918 1.00 49.49 O ATOM 521 CB LYS A 33 39.227 32.893 8.469 1.00 49.82 C ATOM 522 CG LYS A 33 39.620 32.035 7.273 1.00 49.82 C ATOM 523 CD LYS A 33 39.338 30.562 7.532 1.00 49.82 C ATOM 524 CE LYS A 33 39.636 29.716 6.304 1.00 50.21 C ATOM 525 NZ LYS A 33 39.442 28.265 6.568 1.00 49.70 N ATOM 0 H LYS A 33 39.882 31.206 10.288 1.00 49.53 H new ATOM 0 HA LYS A 33 41.324 33.374 9.025 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.397 32.413 8.988 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.864 33.855 8.107 1.00 49.82 H new ATOM 0 HG2 LYS A 33 39.070 32.363 6.391 1.00 49.82 H new ATOM 0 HG3 LYS A 33 40.680 32.172 7.057 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.943 30.216 8.370 1.00 49.82 H new ATOM 0 HD3 LYS A 33 38.294 30.435 7.819 1.00 49.82 H new ATOM 0 HE2 LYS A 33 38.988 30.025 5.484 1.00 50.21 H new ATOM 0 HE3 LYS A 33 40.662 29.892 5.982 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 39.655 27.724 5.706 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 40.079 27.963 7.333 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 38.456 28.092 6.850 1.00 49.70 H new ATOM 539 N GLU A 34 39.254 34.379 11.279 1.00 49.53 N ATOM 540 CA GLU A 34 38.917 35.545 12.062 1.00 50.07 C ATOM 541 C GLU A 34 40.014 35.681 13.088 1.00 50.51 C ATOM 542 O GLU A 34 40.284 36.795 13.548 1.00 49.49 O ATOM 543 CB GLU A 34 37.551 35.389 12.734 1.00 49.82 C ATOM 544 CG GLU A 34 37.216 36.480 13.741 1.00 49.72 C ATOM 545 CD GLU A 34 35.831 36.303 14.298 1.00 50.62 C ATOM 546 OE1 GLU A 34 35.579 35.289 14.903 1.00 49.24 O ATOM 547 OE2 GLU A 34 35.058 37.229 14.218 1.00 49.24 O ATOM 0 H GLU A 34 38.806 33.530 11.625 1.00 49.53 H new ATOM 0 HA GLU A 34 38.843 36.434 11.435 1.00 50.07 H new ATOM 0 HB2 GLU A 34 36.780 35.374 11.963 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.516 34.423 13.238 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.942 36.463 14.554 1.00 49.72 H new ATOM 0 HG3 GLU A 34 37.296 37.456 13.263 1.00 49.72 H new ATOM 554 N GLY A 35 40.596 34.573 13.513 1.00 49.53 N ATOM 555 CA GLY A 35 41.702 34.577 14.435 1.00 49.98 C ATOM 556 C GLY A 35 41.428 34.421 15.878 1.00 50.51 C ATOM 557 O GLY A 35 42.287 34.783 16.725 1.00 49.49 O ATOM 0 H GLY A 35 40.306 33.640 13.221 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.380 33.776 14.140 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.240 35.516 14.301 1.00 49.98 H new ATOM 561 N ILE A 36 40.275 33.831 16.239 1.00 49.53 N ATOM 562 CA ILE A 36 39.986 33.659 17.672 1.00 50.07 C ATOM 563 C ILE A 36 40.180 32.208 18.076 1.00 50.51 C ATOM 564 O ILE A 36 39.525 31.303 17.528 1.00 49.49 O ATOM 565 CB ILE A 36 38.551 34.097 18.019 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.315 35.546 17.586 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.290 33.933 19.508 1.00 49.73 C ATOM 568 CD1 ILE A 36 36.914 36.044 17.858 1.00 49.73 C ATOM 0 H ILE A 36 39.563 33.482 15.598 1.00 49.53 H new ATOM 0 HA ILE A 36 40.681 34.293 18.223 1.00 50.07 H new ATOM 0 HB ILE A 36 37.853 33.459 17.477 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.026 36.190 18.103 1.00 49.82 H new ATOM 0 HG13 ILE A 36 38.521 35.635 16.519 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.271 34.247 19.736 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.418 32.887 19.787 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.993 34.547 20.070 1.00 49.73 H new ATOM 0 HD11 ILE A 36 36.824 37.078 17.524 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.197 35.425 17.319 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.709 35.989 18.927 1.00 49.73 H new ATOM 580 N PRO A 37 41.054 31.963 19.045 1.00 49.71 N ATOM 581 CA PRO A 37 41.322 30.612 19.567 1.00 50.02 C ATOM 582 C PRO A 37 40.046 29.965 20.074 1.00 50.51 C ATOM 583 O PRO A 37 39.279 30.652 20.798 1.00 49.49 O ATOM 584 CB PRO A 37 42.260 30.949 20.766 1.00 49.82 C ATOM 585 CG PRO A 37 42.986 32.177 20.304 1.00 49.82 C ATOM 586 CD PRO A 37 41.859 33.021 19.725 1.00 50.00 C ATOM 0 HA PRO A 37 41.734 29.919 18.834 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.694 31.136 21.679 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.949 30.132 20.980 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.492 32.683 21.126 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.745 31.944 19.557 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.292 33.542 20.496 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.222 33.778 19.030 1.00 50.00 H new ATOM 594 N PRO A 38 39.816 28.708 19.785 1.00 49.71 N ATOM 595 CA PRO A 38 38.585 28.046 20.245 1.00 50.02 C ATOM 596 C PRO A 38 38.403 28.089 21.738 1.00 50.51 C ATOM 597 O PRO A 38 37.261 28.148 22.270 1.00 49.49 O ATOM 598 CB PRO A 38 38.688 26.645 19.651 1.00 49.82 C ATOM 599 CG PRO A 38 39.523 26.865 18.393 1.00 49.82 C ATOM 600 CD PRO A 38 40.624 27.805 18.928 1.00 50.00 C ATOM 0 HA PRO A 38 37.681 28.554 19.910 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.170 25.950 20.338 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.706 26.233 19.417 1.00 49.82 H new ATOM 0 HG2 PRO A 38 39.931 25.933 18.001 1.00 49.82 H new ATOM 0 HG3 PRO A 38 38.945 27.322 17.590 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.387 27.270 19.493 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.136 28.341 18.129 1.00 50.00 H new ATOM 608 N ASP A 39 39.476 28.067 22.491 1.00 49.53 N ATOM 609 CA ASP A 39 39.375 28.050 23.976 1.00 50.07 C ATOM 610 C ASP A 39 38.775 29.302 24.602 1.00 50.51 C ATOM 611 O ASP A 39 38.536 29.398 25.838 1.00 49.49 O ATOM 612 CB ASP A 39 40.754 27.790 24.587 1.00 49.72 C ATOM 613 CG ASP A 39 41.258 26.363 24.418 1.00 50.62 C ATOM 614 OD1 ASP A 39 40.475 25.516 24.059 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.446 26.161 24.496 1.00 49.24 O ATOM 0 H ASP A 39 40.430 28.060 22.130 1.00 49.53 H new ATOM 0 HA ASP A 39 38.677 27.244 24.204 1.00 50.07 H new ATOM 0 HB2 ASP A 39 41.473 28.472 24.134 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.717 28.026 25.651 1.00 49.72 H new ATOM 620 N GLN A 40 38.416 30.267 23.772 1.00 49.53 N ATOM 621 CA GLN A 40 37.798 31.504 24.307 1.00 50.07 C ATOM 622 C GLN A 40 36.455 31.858 23.640 1.00 50.51 C ATOM 623 O GLN A 40 36.015 32.994 23.761 1.00 49.49 O ATOM 624 CB GLN A 40 38.764 32.682 24.155 1.00 49.82 C ATOM 625 CG GLN A 40 40.107 32.478 24.837 1.00 49.82 C ATOM 626 CD GLN A 40 41.147 33.482 24.378 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.867 34.352 23.548 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.357 33.364 24.911 1.00 49.38 N ATOM 0 H GLN A 40 38.529 30.238 22.759 1.00 49.53 H new ATOM 0 HA GLN A 40 37.590 31.310 25.359 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.932 32.865 23.094 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.294 33.577 24.562 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.979 32.559 25.916 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.465 31.469 24.633 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.544 32.630 25.594 1.00 49.38 H new ATOM 0 HE22 GLN A 40 43.100 34.008 24.638 1.00 49.38 H new ATOM 637 N GLN A 41 35.822 30.906 22.991 1.00 49.53 N ATOM 638 CA GLN A 41 34.584 31.113 22.280 1.00 50.07 C ATOM 639 C GLN A 41 33.446 30.415 22.995 1.00 50.51 C ATOM 640 O GLN A 41 33.504 29.276 23.434 1.00 49.49 O ATOM 641 CB GLN A 41 34.692 30.596 20.844 1.00 49.82 C ATOM 642 CG GLN A 41 35.528 31.474 19.928 1.00 49.82 C ATOM 643 CD GLN A 41 35.701 30.870 18.546 1.00 50.55 C ATOM 644 OE1 GLN A 41 36.494 29.945 18.353 1.00 49.45 O ATOM 645 NE2 GLN A 41 34.960 31.393 17.576 1.00 49.38 N ATOM 0 H GLN A 41 36.163 29.946 22.943 1.00 49.53 H new ATOM 0 HA GLN A 41 34.382 32.184 22.250 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.122 29.595 20.861 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.689 30.505 20.426 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.056 32.452 19.837 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.508 31.633 20.377 1.00 49.82 H new ATOM 0 HE21 GLN A 41 34.317 32.158 17.781 1.00 49.38 H new ATOM 0 HE22 GLN A 41 35.034 31.030 16.626 1.00 49.38 H new ATOM 654 N ARG A 42 32.298 31.088 22.999 1.00 49.53 N ATOM 655 CA ARG A 42 31.034 30.466 23.509 1.00 50.07 C ATOM 656 C ARG A 42 29.974 30.653 22.446 1.00 50.51 C ATOM 657 O ARG A 42 29.969 31.789 21.821 1.00 49.49 O ATOM 658 CB ARG A 42 30.604 31.028 24.856 1.00 49.82 C ATOM 659 CG ARG A 42 29.543 30.213 25.579 1.00 49.82 C ATOM 660 CD ARG A 42 29.331 30.604 26.996 1.00 50.20 C ATOM 661 NE ARG A 42 28.638 31.870 27.174 1.00 49.30 N ATOM 662 CZ ARG A 42 28.641 32.591 28.312 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.264 32.159 29.385 1.00 49.20 N ATOM 664 NH2 ARG A 42 27.978 33.735 28.329 1.00 49.20 N ATOM 0 H ARG A 42 32.195 32.047 22.666 1.00 49.53 H new ATOM 0 HA ARG A 42 31.197 29.404 23.694 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.482 31.106 25.498 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.226 32.040 24.708 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.599 30.310 25.043 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.823 29.160 25.543 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.762 29.819 27.495 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.299 30.661 27.493 1.00 50.20 H new ATOM 0 HE ARG A 42 28.112 32.238 26.381 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.755 31.265 29.364 1.00 49.20 H new ATOM 0 HH12 ARG A 42 29.257 32.717 30.239 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.482 34.050 27.495 1.00 49.20 H new ATOM 0 HH22 ARG A 42 27.962 34.303 29.176 1.00 49.20 H new ATOM 678 N LEU A 43 29.164 29.641 22.144 1.00 49.53 N ATOM 679 CA LEU A 43 28.147 29.768 21.069 1.00 50.07 C ATOM 680 C LEU A 43 26.814 29.181 21.520 1.00 50.51 C ATOM 681 O LEU A 43 26.793 28.037 21.994 1.00 49.49 O ATOM 682 CB LEU A 43 28.634 29.073 19.791 1.00 49.82 C ATOM 683 CG LEU A 43 29.926 29.642 19.190 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.473 28.693 18.134 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.648 31.013 18.591 1.00 49.73 C ATOM 0 H LEU A 43 29.180 28.734 22.611 1.00 49.53 H new ATOM 0 HA LEU A 43 28.000 30.827 20.855 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.788 28.016 20.007 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.846 29.133 19.041 1.00 49.82 H new ATOM 0 HG LEU A 43 30.676 29.748 19.974 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.390 29.106 17.714 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.686 27.726 18.589 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.735 28.566 17.342 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.566 31.417 18.164 1.00 49.73 H new ATOM 0 HD22 LEU A 43 28.894 30.922 17.809 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.285 31.683 19.370 1.00 49.73 H new ATOM 697 N ILE A 44 25.768 29.999 21.449 1.00 49.53 N ATOM 698 CA ILE A 44 24.430 29.617 21.888 1.00 50.07 C ATOM 699 C ILE A 44 23.468 29.778 20.718 1.00 50.51 C ATOM 700 O ILE A 44 23.300 30.841 20.156 1.00 49.49 O ATOM 701 CB ILE A 44 23.949 30.472 23.074 1.00 49.91 C ATOM 702 CG1 ILE A 44 24.884 30.296 24.274 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.522 30.105 23.450 1.00 49.73 C ATOM 704 CD1 ILE A 44 24.615 31.263 25.404 1.00 49.73 C ATOM 0 H ILE A 44 25.825 30.950 21.084 1.00 49.53 H new ATOM 0 HA ILE A 44 24.460 28.580 22.223 1.00 50.07 H new ATOM 0 HB ILE A 44 23.967 31.520 22.775 1.00 49.91 H new ATOM 0 HG12 ILE A 44 24.790 29.277 24.650 1.00 49.82 H new ATOM 0 HG13 ILE A 44 25.915 30.419 23.941 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.198 30.719 24.290 1.00 49.73 H new ATOM 0 HG22 ILE A 44 21.865 30.280 22.598 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.479 29.053 23.732 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.317 31.077 26.217 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.738 32.285 25.045 1.00 49.73 H new ATOM 0 HD13 ILE A 44 23.596 31.126 25.766 1.00 49.73 H new ATOM 716 N PHE A 45 22.796 28.645 20.380 1.00 49.53 N ATOM 717 CA PHE A 45 21.790 28.638 19.306 1.00 50.07 C ATOM 718 C PHE A 45 20.601 27.716 19.632 1.00 50.51 C ATOM 719 O PHE A 45 20.748 26.611 20.154 1.00 49.49 O ATOM 720 CB PHE A 45 22.430 28.216 17.981 1.00 49.82 C ATOM 721 CG PHE A 45 21.495 28.288 16.807 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.969 29.503 16.395 1.00 49.88 C ATOM 723 CD2 PHE A 45 21.141 27.141 16.113 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.108 29.570 15.315 1.00 49.88 C ATOM 725 CE2 PHE A 45 20.284 27.205 15.032 1.00 49.88 C ATOM 726 CZ PHE A 45 19.766 28.421 14.634 1.00 49.88 C ATOM 0 H PHE A 45 22.936 27.742 20.833 1.00 49.53 H new ATOM 0 HA PHE A 45 21.405 29.654 19.217 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.293 28.852 17.786 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.801 27.196 18.076 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.235 30.407 16.923 1.00 49.88 H new ATOM 0 HD2 PHE A 45 21.540 26.186 16.422 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.704 30.522 15.005 1.00 49.88 H new ATOM 0 HE2 PHE A 45 20.019 26.304 14.498 1.00 49.88 H new ATOM 0 HZ PHE A 45 19.094 28.472 13.790 1.00 49.88 H new ATOM 736 N ALA A 46 19.452 28.245 19.285 1.00 49.53 N ATOM 737 CA ALA A 46 18.160 27.546 19.436 1.00 50.07 C ATOM 738 C ALA A 46 17.727 27.306 20.874 1.00 50.51 C ATOM 739 O ALA A 46 16.929 26.406 21.175 1.00 49.49 O ATOM 740 CB ALA A 46 18.199 26.246 18.696 1.00 49.73 C ATOM 0 H ALA A 46 19.367 29.179 18.885 1.00 49.53 H new ATOM 0 HA ALA A 46 17.412 28.217 19.013 1.00 50.07 H new ATOM 0 HB1 ALA A 46 17.244 25.734 18.810 1.00 49.73 H new ATOM 0 HB2 ALA A 46 18.386 26.435 17.639 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.996 25.622 19.099 1.00 49.73 H new ATOM 746 N GLY A 47 18.301 28.084 21.744 1.00 49.53 N ATOM 747 CA GLY A 47 18.125 28.115 23.166 1.00 49.98 C ATOM 748 C GLY A 47 19.108 27.170 23.807 1.00 50.51 C ATOM 749 O GLY A 47 19.459 27.354 24.994 1.00 49.49 O ATOM 0 H GLY A 47 18.976 28.787 21.442 1.00 49.53 H new ATOM 0 HA2 GLY A 47 18.277 29.127 23.541 1.00 49.98 H new ATOM 0 HA3 GLY A 47 17.106 27.829 23.425 1.00 49.98 H new ATOM 753 N LYS A 48 19.605 26.211 23.075 1.00 49.53 N ATOM 754 CA LYS A 48 20.608 25.266 23.585 1.00 50.07 C ATOM 755 C LYS A 48 22.036 25.831 23.465 1.00 50.51 C ATOM 756 O LYS A 48 22.183 26.922 22.936 1.00 49.49 O ATOM 757 CB LYS A 48 20.509 23.932 22.845 1.00 49.82 C ATOM 758 CG LYS A 48 19.175 23.216 23.014 1.00 49.82 C ATOM 759 CD LYS A 48 19.178 21.868 22.310 1.00 49.82 C ATOM 760 CE LYS A 48 17.879 21.113 22.552 1.00 50.21 C ATOM 761 NZ LYS A 48 17.724 20.715 23.978 1.00 49.70 N ATOM 0 H LYS A 48 19.337 26.047 22.104 1.00 49.53 H new ATOM 0 HA LYS A 48 20.399 25.106 24.643 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.682 24.106 21.783 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.306 23.276 23.195 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.968 23.074 24.075 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.374 23.836 22.613 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.321 22.015 21.240 1.00 49.82 H new ATOM 0 HD3 LYS A 48 20.019 21.272 22.665 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.036 21.737 22.256 1.00 50.21 H new ATOM 0 HE3 LYS A 48 17.854 20.224 21.922 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 16.963 20.011 24.061 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 18.615 20.304 24.323 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.485 21.552 24.548 1.00 49.70 H new ATOM 775 N GLN A 49 23.018 25.105 23.925 1.00 49.53 N ATOM 776 CA GLN A 49 24.430 25.543 23.729 1.00 50.07 C ATOM 777 C GLN A 49 25.114 24.621 22.723 1.00 50.51 C ATOM 778 O GLN A 49 24.699 23.437 22.613 1.00 49.49 O ATOM 779 CB GLN A 49 25.191 25.528 25.057 1.00 49.82 C ATOM 780 CG GLN A 49 24.797 26.642 26.013 1.00 49.82 C ATOM 781 CD GLN A 49 25.360 26.435 27.406 1.00 50.55 C ATOM 782 OE1 GLN A 49 26.553 26.637 27.646 1.00 49.45 O ATOM 783 NE2 GLN A 49 24.502 26.024 28.334 1.00 49.38 N ATOM 0 H GLN A 49 22.904 24.226 24.429 1.00 49.53 H new ATOM 0 HA GLN A 49 24.432 26.564 23.347 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.026 24.568 25.547 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.259 25.601 24.852 1.00 49.82 H new ATOM 0 HG2 GLN A 49 25.149 27.596 25.620 1.00 49.82 H new ATOM 0 HG3 GLN A 49 23.710 26.702 26.069 1.00 49.82 H new ATOM 0 HE21 GLN A 49 23.523 25.869 28.091 1.00 49.38 H new ATOM 0 HE22 GLN A 49 24.822 25.863 29.289 1.00 49.38 H new ATOM 792 N LEU A 50 26.064 25.127 21.975 1.00 49.53 N ATOM 793 CA LEU A 50 26.730 24.354 20.914 1.00 50.07 C ATOM 794 C LEU A 50 27.783 23.528 21.634 1.00 50.51 C ATOM 795 O LEU A 50 28.785 24.100 22.015 1.00 49.49 O ATOM 796 CB LEU A 50 27.361 25.280 19.867 1.00 49.82 C ATOM 797 CG LEU A 50 26.507 25.528 18.616 1.00 49.91 C ATOM 798 CD1 LEU A 50 25.189 26.184 19.005 1.00 49.73 C ATOM 799 CD2 LEU A 50 27.278 26.404 17.640 1.00 49.73 C ATOM 0 H LEU A 50 26.408 26.082 22.071 1.00 49.53 H new ATOM 0 HA LEU A 50 26.030 23.725 20.364 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.577 26.240 20.337 1.00 49.82 H new ATOM 0 HB3 LEU A 50 28.316 24.855 19.557 1.00 49.82 H new ATOM 0 HG LEU A 50 26.284 24.577 18.133 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.590 26.356 18.111 1.00 49.73 H new ATOM 0 HD12 LEU A 50 24.644 25.530 19.686 1.00 49.73 H new ATOM 0 HD13 LEU A 50 25.388 27.136 19.497 1.00 49.73 H new ATOM 0 HD21 LEU A 50 26.671 26.580 16.752 1.00 49.73 H new ATOM 0 HD22 LEU A 50 27.513 27.357 18.114 1.00 49.73 H new ATOM 0 HD23 LEU A 50 28.203 25.903 17.354 1.00 49.73 H new ATOM 811 N GLU A 51 27.507 22.243 21.856 1.00 49.53 N ATOM 812 CA GLU A 51 28.459 21.387 22.596 1.00 50.07 C ATOM 813 C GLU A 51 29.277 20.485 21.712 1.00 50.51 C ATOM 814 O GLU A 51 28.819 20.134 20.628 1.00 49.49 O ATOM 815 CB GLU A 51 27.713 20.548 23.635 1.00 49.82 C ATOM 816 CG GLU A 51 27.078 21.357 24.757 1.00 49.72 C ATOM 817 CD GLU A 51 26.448 20.461 25.787 1.00 50.62 C ATOM 818 OE1 GLU A 51 25.612 19.666 25.425 1.00 49.24 O ATOM 819 OE2 GLU A 51 26.879 20.490 26.915 1.00 49.24 O ATOM 0 H GLU A 51 26.656 21.773 21.547 1.00 49.53 H new ATOM 0 HA GLU A 51 29.160 22.065 23.083 1.00 50.07 H new ATOM 0 HB2 GLU A 51 26.935 19.975 23.131 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.407 19.829 24.070 1.00 49.82 H new ATOM 0 HG2 GLU A 51 27.835 21.983 25.230 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.324 22.026 24.344 1.00 49.72 H new ATOM 826 N ASP A 52 30.460 20.086 22.110 1.00 49.53 N ATOM 827 CA ASP A 52 31.404 19.286 21.336 1.00 50.07 C ATOM 828 C ASP A 52 30.935 17.895 20.948 1.00 50.51 C ATOM 829 O ASP A 52 31.260 17.444 19.812 1.00 49.49 O ATOM 830 CB ASP A 52 32.729 19.176 22.093 1.00 49.72 C ATOM 831 CG ASP A 52 33.406 20.510 22.374 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.510 21.304 21.469 1.00 49.24 O ATOM 833 OD2 ASP A 52 33.671 20.789 23.518 1.00 49.24 O ATOM 0 H ASP A 52 30.820 20.320 23.035 1.00 49.53 H new ATOM 0 HA ASP A 52 31.514 19.824 20.394 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.551 18.666 23.040 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.411 18.550 21.517 1.00 49.72 H new ATOM 838 N GLY A 53 30.338 17.169 21.868 1.00 49.53 N ATOM 839 CA GLY A 53 29.879 15.783 21.667 1.00 49.98 C ATOM 840 C GLY A 53 28.995 15.548 20.487 1.00 50.51 C ATOM 841 O GLY A 53 28.729 14.384 20.106 1.00 49.49 O ATOM 0 H GLY A 53 30.146 17.522 22.806 1.00 49.53 H new ATOM 0 HA2 GLY A 53 30.755 15.142 21.572 1.00 49.98 H new ATOM 0 HA3 GLY A 53 29.347 15.465 22.563 1.00 49.98 H new ATOM 845 N ARG A 54 28.430 16.587 19.883 1.00 49.53 N ATOM 846 CA ARG A 54 27.606 16.440 18.667 1.00 50.07 C ATOM 847 C ARG A 54 27.880 17.352 17.480 1.00 50.51 C ATOM 848 O ARG A 54 28.171 18.554 17.657 1.00 49.49 O ATOM 849 CB ARG A 54 26.124 16.476 19.012 1.00 49.82 C ATOM 850 CG ARG A 54 25.589 15.213 19.668 1.00 49.82 C ATOM 851 CD ARG A 54 24.113 15.187 19.834 1.00 50.20 C ATOM 852 NE ARG A 54 23.593 16.178 20.762 1.00 49.30 N ATOM 853 CZ ARG A 54 22.284 16.383 21.007 1.00 50.64 C ATOM 854 NH1 ARG A 54 21.360 15.699 20.369 1.00 49.20 N ATOM 855 NH2 ARG A 54 21.951 17.310 21.889 1.00 49.20 N ATOM 0 H ARG A 54 28.522 17.549 20.210 1.00 49.53 H new ATOM 0 HA ARG A 54 27.924 15.464 18.302 1.00 50.07 H new ATOM 0 HB2 ARG A 54 25.941 17.319 19.678 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.558 16.662 18.099 1.00 49.82 H new ATOM 0 HG2 ARG A 54 25.891 14.352 19.071 1.00 49.82 H new ATOM 0 HG3 ARG A 54 26.055 15.101 20.647 1.00 49.82 H new ATOM 0 HD2 ARG A 54 23.648 15.340 18.860 1.00 50.20 H new ATOM 0 HD3 ARG A 54 23.816 14.196 20.177 1.00 50.20 H new ATOM 0 HE ARG A 54 24.266 16.759 21.262 1.00 49.30 H new ATOM 0 HH11 ARG A 54 21.630 15.000 19.676 1.00 49.20 H new ATOM 0 HH12 ARG A 54 20.374 15.867 20.567 1.00 49.20 H new ATOM 0 HH21 ARG A 54 22.677 17.847 22.363 1.00 49.20 H new ATOM 0 HH22 ARG A 54 20.968 17.488 22.095 1.00 49.20 H new ATOM 869 N THR A 55 27.702 16.835 16.290 1.00 49.53 N ATOM 870 CA THR A 55 27.862 17.589 15.026 1.00 50.07 C ATOM 871 C THR A 55 26.792 18.676 14.765 1.00 50.51 C ATOM 872 O THR A 55 25.808 18.765 15.491 1.00 49.49 O ATOM 873 CB THR A 55 27.886 16.635 13.818 1.00 50.14 C ATOM 874 OG1 THR A 55 26.627 15.956 13.717 1.00 49.34 O ATOM 875 CG2 THR A 55 28.999 15.611 13.969 1.00 49.73 C ATOM 0 H THR A 55 27.436 15.861 16.147 1.00 49.53 H new ATOM 0 HA THR A 55 28.814 18.107 15.147 1.00 50.07 H new ATOM 0 HB THR A 55 28.065 17.220 12.916 1.00 50.14 H new ATOM 0 HG1 THR A 55 26.643 15.350 12.947 1.00 49.34 H new ATOM 0 HG21 THR A 55 29.001 14.945 13.106 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.959 16.124 14.034 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.837 15.029 14.876 1.00 49.73 H new ATOM 883 N LEU A 56 27.017 19.454 13.724 1.00 49.53 N ATOM 884 CA LEU A 56 26.068 20.498 13.301 1.00 50.07 C ATOM 885 C LEU A 56 24.729 19.842 12.974 1.00 50.51 C ATOM 886 O LEU A 56 23.743 20.250 13.525 1.00 49.49 O ATOM 887 CB LEU A 56 26.611 21.261 12.087 1.00 49.82 C ATOM 888 CG LEU A 56 27.737 22.258 12.393 1.00 49.91 C ATOM 889 CD1 LEU A 56 28.162 22.973 11.118 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.261 23.256 13.438 1.00 49.73 C ATOM 0 H LEU A 56 27.853 19.391 13.143 1.00 49.53 H new ATOM 0 HA LEU A 56 25.932 21.218 14.108 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.976 20.538 11.357 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.788 21.800 11.618 1.00 49.82 H new ATOM 0 HG LEU A 56 28.601 21.722 12.787 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.961 23.678 11.346 1.00 49.73 H new ATOM 0 HD12 LEU A 56 28.519 22.242 10.393 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.311 23.512 10.702 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.061 23.964 13.656 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.393 23.794 13.058 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.988 22.725 14.350 1.00 49.73 H new ATOM 902 N SER A 57 24.749 18.769 12.158 1.00 49.53 N ATOM 903 CA SER A 57 23.446 18.139 11.830 1.00 50.07 C ATOM 904 C SER A 57 22.589 17.912 13.056 1.00 50.51 C ATOM 905 O SER A 57 21.371 18.260 13.058 1.00 49.49 O ATOM 906 CB SER A 57 23.675 16.827 11.103 1.00 50.05 C ATOM 907 OG SER A 57 22.499 16.336 10.521 1.00 49.34 O ATOM 0 H SER A 57 25.577 18.345 11.741 1.00 49.53 H new ATOM 0 HA SER A 57 22.905 18.830 11.184 1.00 50.07 H new ATOM 0 HB2 SER A 57 24.430 16.968 10.330 1.00 50.05 H new ATOM 0 HB3 SER A 57 24.069 16.089 11.802 1.00 50.05 H new ATOM 0 HG SER A 57 22.689 15.491 10.062 1.00 49.34 H new ATOM 913 N ASP A 58 23.171 17.345 14.099 1.00 49.53 N ATOM 914 CA ASP A 58 22.422 17.081 15.356 1.00 50.07 C ATOM 915 C ASP A 58 21.606 18.263 15.891 1.00 50.51 C ATOM 916 O ASP A 58 20.718 18.125 16.738 1.00 49.49 O ATOM 917 CB ASP A 58 23.386 16.599 16.443 1.00 49.72 C ATOM 918 CG ASP A 58 23.811 15.143 16.307 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.025 14.358 15.832 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.962 14.858 16.531 1.00 49.24 O ATOM 0 H ASP A 58 24.149 17.054 14.120 1.00 49.53 H new ATOM 0 HA ASP A 58 21.693 16.313 15.097 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.276 17.228 16.427 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.916 16.738 17.416 1.00 49.72 H new ATOM 925 N TYR A 59 22.048 19.438 15.550 1.00 49.53 N ATOM 926 CA TYR A 59 21.414 20.698 15.936 1.00 50.07 C ATOM 927 C TYR A 59 20.443 21.326 14.962 1.00 50.51 C ATOM 928 O TYR A 59 19.905 22.402 15.291 1.00 49.49 O ATOM 929 CB TYR A 59 22.495 21.725 16.283 1.00 49.82 C ATOM 930 CG TYR A 59 23.483 21.246 17.324 1.00 50.00 C ATOM 931 CD1 TYR A 59 23.157 21.260 18.673 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.739 20.786 16.957 1.00 49.88 C ATOM 933 CE1 TYR A 59 24.055 20.825 19.628 1.00 49.88 C ATOM 934 CE2 TYR A 59 25.645 20.348 17.904 1.00 49.88 C ATOM 935 CZ TYR A 59 25.298 20.370 19.240 1.00 50.11 C ATOM 936 OH TYR A 59 26.196 19.936 20.188 1.00 49.46 O ATOM 0 H TYR A 59 22.883 19.567 14.979 1.00 49.53 H new ATOM 0 HA TYR A 59 20.793 20.418 16.787 1.00 50.07 H new ATOM 0 HB2 TYR A 59 23.038 21.988 15.375 1.00 49.82 H new ATOM 0 HB3 TYR A 59 22.016 22.635 16.643 1.00 49.82 H new ATOM 0 HD1 TYR A 59 22.185 21.617 18.981 1.00 49.88 H new ATOM 0 HD2 TYR A 59 25.014 20.770 15.913 1.00 49.88 H new ATOM 0 HE1 TYR A 59 23.785 20.841 20.674 1.00 49.88 H new ATOM 0 HE2 TYR A 59 26.618 19.991 17.601 1.00 49.88 H new ATOM 0 HH TYR A 59 27.095 20.246 19.953 1.00 49.46 H new ATOM 946 N ASN A 60 20.085 20.712 13.855 1.00 49.53 N ATOM 947 CA ASN A 60 19.132 21.362 12.933 1.00 50.07 C ATOM 948 C ASN A 60 19.681 22.590 12.219 1.00 50.51 C ATOM 949 O ASN A 60 18.953 23.298 11.496 1.00 49.49 O ATOM 950 CB ASN A 60 17.847 21.726 13.653 1.00 49.82 C ATOM 951 CG ASN A 60 17.171 20.556 14.316 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.320 19.406 13.890 1.00 49.45 O ATOM 953 ND2 ASN A 60 16.366 20.855 15.304 1.00 49.38 N ATOM 0 H ASN A 60 20.417 19.793 13.563 1.00 49.53 H new ATOM 0 HA ASN A 60 18.937 20.618 12.160 1.00 50.07 H new ATOM 0 HB2 ASN A 60 18.065 22.483 14.407 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.157 22.176 12.940 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.825 20.121 15.761 1.00 49.38 H new ATOM 0 HD22 ASN A 60 16.280 21.822 15.617 1.00 49.38 H new ATOM 960 N ILE A 61 20.973 22.821 12.339 1.00 49.53 N ATOM 961 CA ILE A 61 21.633 23.942 11.606 1.00 50.07 C ATOM 962 C ILE A 61 21.259 23.863 10.128 1.00 50.51 C ATOM 963 O ILE A 61 21.618 22.801 9.538 1.00 49.49 O ATOM 964 CB ILE A 61 23.165 23.900 11.750 1.00 49.91 C ATOM 965 CG1 ILE A 61 23.564 23.959 13.227 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.805 25.042 10.978 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.306 25.299 13.876 1.00 49.73 C ATOM 0 H ILE A 61 21.601 22.269 12.923 1.00 49.53 H new ATOM 0 HA ILE A 61 21.285 24.879 12.039 1.00 50.07 H new ATOM 0 HB ILE A 61 23.526 22.960 11.332 1.00 49.91 H new ATOM 0 HG12 ILE A 61 23.017 23.190 13.772 1.00 49.82 H new ATOM 0 HG13 ILE A 61 24.624 23.720 13.317 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.888 24.996 11.092 1.00 49.73 H new ATOM 0 HG22 ILE A 61 23.547 24.957 9.922 1.00 49.73 H new ATOM 0 HG23 ILE A 61 23.440 25.993 11.366 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.614 25.263 14.921 1.00 49.73 H new ATOM 0 HD12 ILE A 61 23.875 26.070 13.357 1.00 49.73 H new ATOM 0 HD13 ILE A 61 22.243 25.532 13.819 1.00 49.73 H new ATOM 979 N GLN A 62 20.598 24.852 9.596 1.00 49.53 N ATOM 980 CA GLN A 62 20.118 24.858 8.183 1.00 50.07 C ATOM 981 C GLN A 62 20.710 26.118 7.546 1.00 50.51 C ATOM 982 O GLN A 62 21.441 26.864 8.220 1.00 49.49 O ATOM 983 CB GLN A 62 18.589 24.888 8.117 1.00 49.82 C ATOM 984 CG GLN A 62 17.912 23.729 8.831 1.00 49.82 C ATOM 985 CD GLN A 62 16.414 23.698 8.593 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.885 24.460 7.779 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.721 22.818 9.307 1.00 49.38 N ATOM 0 H GLN A 62 20.359 25.700 10.110 1.00 49.53 H new ATOM 0 HA GLN A 62 20.431 23.955 7.658 1.00 50.07 H new ATOM 0 HB2 GLN A 62 18.236 25.824 8.551 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.281 24.886 7.071 1.00 49.82 H new ATOM 0 HG2 GLN A 62 18.350 22.791 8.491 1.00 49.82 H new ATOM 0 HG3 GLN A 62 18.106 23.802 9.901 1.00 49.82 H new ATOM 0 HE21 GLN A 62 16.200 22.208 9.969 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.709 22.753 9.193 1.00 49.38 H new ATOM 996 N LYS A 63 20.433 26.351 6.265 1.00 49.53 N ATOM 997 CA LYS A 63 20.987 27.472 5.538 1.00 50.07 C ATOM 998 C LYS A 63 20.385 28.756 6.103 1.00 50.51 C ATOM 999 O LYS A 63 19.264 28.814 6.583 1.00 49.49 O ATOM 1000 CB LYS A 63 20.694 27.352 4.042 1.00 49.82 C ATOM 1001 CG LYS A 63 21.501 28.299 3.164 1.00 49.82 C ATOM 1002 CD LYS A 63 21.216 28.065 1.688 1.00 49.82 C ATOM 1003 CE LYS A 63 22.046 28.989 0.810 1.00 50.21 C ATOM 1004 NZ LYS A 63 21.779 28.771 -0.637 1.00 49.70 N ATOM 0 H LYS A 63 19.815 25.761 5.708 1.00 49.53 H new ATOM 0 HA LYS A 63 22.070 27.486 5.656 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.891 26.327 3.727 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.633 27.538 3.876 1.00 49.82 H new ATOM 0 HG2 LYS A 63 21.262 29.330 3.423 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.565 28.160 3.357 1.00 49.82 H new ATOM 0 HD2 LYS A 63 21.433 27.027 1.434 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.156 28.227 1.490 1.00 49.82 H new ATOM 0 HE2 LYS A 63 21.828 30.026 1.067 1.00 50.21 H new ATOM 0 HE3 LYS A 63 23.105 28.827 1.012 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 22.365 29.420 -1.200 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 22.011 27.789 -0.889 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 20.774 28.951 -0.836 1.00 49.70 H new ATOM 1018 N GLU A 64 21.246 29.784 6.071 1.00 49.53 N ATOM 1019 CA GLU A 64 20.962 31.120 6.525 1.00 50.07 C ATOM 1020 C GLU A 64 20.298 31.358 7.848 1.00 50.51 C ATOM 1021 O GLU A 64 19.194 31.949 7.947 1.00 49.49 O ATOM 1022 CB GLU A 64 20.151 31.845 5.448 1.00 49.82 C ATOM 1023 CG GLU A 64 20.885 32.033 4.128 1.00 49.72 C ATOM 1024 CD GLU A 64 21.646 33.329 4.106 1.00 50.62 C ATOM 1025 OE1 GLU A 64 22.668 33.406 4.746 1.00 49.24 O ATOM 1026 OE2 GLU A 64 21.270 34.203 3.362 1.00 49.24 O ATOM 0 H GLU A 64 22.195 29.685 5.710 1.00 49.53 H new ATOM 0 HA GLU A 64 21.967 31.503 6.702 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.234 31.286 5.263 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.857 32.823 5.829 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.573 31.202 3.970 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.170 32.015 3.306 1.00 49.72 H new ATOM 1033 N SER A 65 21.030 31.035 8.903 1.00 49.53 N ATOM 1034 CA SER A 65 20.615 31.290 10.287 1.00 50.07 C ATOM 1035 C SER A 65 21.698 32.194 10.924 1.00 50.51 C ATOM 1036 O SER A 65 22.705 32.490 10.291 1.00 49.49 O ATOM 1037 CB SER A 65 20.467 29.990 11.053 1.00 50.05 C ATOM 1038 OG SER A 65 21.693 29.334 11.221 1.00 49.34 O ATOM 0 H SER A 65 21.941 30.583 8.829 1.00 49.53 H new ATOM 0 HA SER A 65 19.643 31.781 10.316 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.029 30.194 12.030 1.00 50.05 H new ATOM 0 HB3 SER A 65 19.775 29.335 10.524 1.00 50.05 H new ATOM 0 HG SER A 65 21.553 28.503 11.721 1.00 49.34 H new ATOM 1044 N THR A 66 21.444 32.674 12.112 1.00 49.53 N ATOM 1045 CA THR A 66 22.415 33.473 12.869 1.00 50.07 C ATOM 1046 C THR A 66 22.978 32.811 14.126 1.00 50.51 C ATOM 1047 O THR A 66 22.177 32.464 15.023 1.00 49.49 O ATOM 1048 CB THR A 66 21.812 34.832 13.271 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.525 34.627 13.869 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.662 35.730 12.052 1.00 49.73 C ATOM 0 H THR A 66 20.559 32.530 12.598 1.00 49.53 H new ATOM 0 HA THR A 66 23.249 33.589 12.177 1.00 50.07 H new ATOM 0 HB THR A 66 22.481 35.313 13.985 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.570 33.872 14.492 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.235 36.686 12.355 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.640 35.897 11.600 1.00 49.73 H new ATOM 0 HG23 THR A 66 21.004 35.252 11.327 1.00 49.73 H new ATOM 1058 N LEU A 67 24.296 32.585 14.173 1.00 49.53 N ATOM 1059 CA LEU A 67 24.914 32.052 15.393 1.00 50.07 C ATOM 1060 C LEU A 67 25.466 33.248 16.198 1.00 50.51 C ATOM 1061 O LEU A 67 25.982 34.143 15.508 1.00 49.49 O ATOM 1062 CB LEU A 67 26.030 31.059 15.048 1.00 49.82 C ATOM 1063 CG LEU A 67 25.559 29.637 14.717 1.00 49.91 C ATOM 1064 CD1 LEU A 67 24.593 29.667 13.541 1.00 49.73 C ATOM 1065 CD2 LEU A 67 26.764 28.763 14.402 1.00 49.73 C ATOM 0 H LEU A 67 24.941 32.757 13.402 1.00 49.53 H new ATOM 0 HA LEU A 67 24.178 31.509 15.986 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.589 31.447 14.197 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.723 31.009 15.888 1.00 49.82 H new ATOM 0 HG LEU A 67 25.036 29.218 15.577 1.00 49.91 H new ATOM 0 HD11 LEU A 67 24.265 28.653 13.314 1.00 49.73 H new ATOM 0 HD12 LEU A 67 23.728 30.280 13.796 1.00 49.73 H new ATOM 0 HD13 LEU A 67 25.093 30.090 12.670 1.00 49.73 H new ATOM 0 HD21 LEU A 67 26.429 27.753 14.167 1.00 49.73 H new ATOM 0 HD22 LEU A 67 27.300 29.176 13.547 1.00 49.73 H new ATOM 0 HD23 LEU A 67 27.428 28.733 15.266 1.00 49.73 H new ATOM 1077 N HIS A 68 25.294 33.246 17.471 1.00 49.53 N ATOM 1078 CA HIS A 68 25.852 34.355 18.282 1.00 50.07 C ATOM 1079 C HIS A 68 27.190 34.003 18.927 1.00 50.51 C ATOM 1080 O HIS A 68 27.293 33.018 19.689 1.00 49.49 O ATOM 1081 CB HIS A 68 24.855 34.780 19.364 1.00 49.92 C ATOM 1082 CG HIS A 68 25.243 36.035 20.081 1.00 50.22 C ATOM 1083 ND1 HIS A 68 25.212 36.145 21.456 1.00 49.30 N ATOM 1084 CD2 HIS A 68 25.669 37.232 19.617 1.00 49.95 C ATOM 1085 CE1 HIS A 68 25.605 37.358 21.805 1.00 50.25 C ATOM 1086 NE2 HIS A 68 25.888 38.037 20.708 1.00 49.64 N ATOM 0 H HIS A 68 24.792 32.528 17.994 1.00 49.53 H new ATOM 0 HA HIS A 68 26.030 35.182 17.595 1.00 50.07 H new ATOM 0 HB2 HIS A 68 23.875 34.921 18.907 1.00 49.92 H new ATOM 0 HB3 HIS A 68 24.755 33.973 20.090 1.00 49.92 H new ATOM 0 HD1 HIS A 68 24.930 35.407 22.101 1.00 49.30 H new ATOM 0 HD2 HIS A 68 25.811 37.504 18.581 1.00 49.95 H new ATOM 0 HE1 HIS A 68 25.682 37.731 22.816 1.00 50.25 H new ATOM 1094 N LEU A 69 28.214 34.789 18.639 1.00 49.53 N ATOM 1095 CA LEU A 69 29.528 34.607 19.247 1.00 50.07 C ATOM 1096 C LEU A 69 29.759 35.357 20.523 1.00 50.51 C ATOM 1097 O LEU A 69 29.394 36.586 20.566 1.00 49.49 O ATOM 1098 CB LEU A 69 30.617 34.978 18.232 1.00 49.82 C ATOM 1099 CG LEU A 69 32.058 34.850 18.744 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.417 33.382 18.931 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.009 35.517 17.761 1.00 49.73 C ATOM 0 H LEU A 69 28.162 35.567 17.982 1.00 49.53 H new ATOM 0 HA LEU A 69 29.572 33.553 19.522 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.503 34.344 17.353 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.454 36.006 17.907 1.00 49.82 H new ATOM 0 HG LEU A 69 32.146 35.348 19.709 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.441 33.301 19.295 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.738 32.931 19.655 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.328 32.861 17.977 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.032 35.426 18.126 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.926 35.032 16.788 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.751 36.572 17.664 1.00 49.73 H new ATOM 1113 N VAL A 70 30.260 34.740 21.544 1.00 49.53 N ATOM 1114 CA VAL A 70 30.607 35.469 22.798 1.00 50.07 C ATOM 1115 C VAL A 70 32.110 35.197 22.959 1.00 50.51 C ATOM 1116 O VAL A 70 32.516 34.013 22.977 1.00 49.49 O ATOM 1117 CB VAL A 70 29.833 34.946 24.022 1.00 49.91 C ATOM 1118 CG1 VAL A 70 30.269 35.679 25.281 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.334 35.100 23.811 1.00 49.73 C ATOM 0 H VAL A 70 30.451 33.738 21.570 1.00 49.53 H new ATOM 0 HA VAL A 70 30.351 36.527 22.736 1.00 50.07 H new ATOM 0 HB VAL A 70 30.058 33.886 24.143 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.712 35.297 26.136 1.00 49.73 H new ATOM 0 HG12 VAL A 70 31.335 35.521 25.443 1.00 49.73 H new ATOM 0 HG13 VAL A 70 30.073 36.745 25.168 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.803 34.725 24.686 1.00 49.73 H new ATOM 0 HG22 VAL A 70 28.094 36.153 23.664 1.00 49.73 H new ATOM 0 HG23 VAL A 70 28.030 34.532 22.932 1.00 49.73 H new ATOM 1129 N LEU A 71 32.895 36.230 23.160 1.00 49.53 N ATOM 1130 CA LEU A 71 34.351 36.054 23.360 1.00 50.07 C ATOM 1131 C LEU A 71 34.683 36.111 24.827 1.00 50.51 C ATOM 1132 O LEU A 71 34.400 37.113 25.515 1.00 49.49 O ATOM 1133 CB LEU A 71 35.129 37.128 22.589 1.00 49.82 C ATOM 1134 CG LEU A 71 36.656 37.030 22.695 1.00 49.91 C ATOM 1135 CD1 LEU A 71 37.146 35.756 22.018 1.00 49.73 C ATOM 1136 CD2 LEU A 71 37.291 38.257 22.058 1.00 49.73 C ATOM 0 H LEU A 71 32.574 37.198 23.193 1.00 49.53 H new ATOM 0 HA LEU A 71 34.643 35.077 22.976 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.849 37.072 21.537 1.00 49.82 H new ATOM 0 HB3 LEU A 71 34.818 38.108 22.949 1.00 49.82 H new ATOM 0 HG LEU A 71 36.945 36.991 23.745 1.00 49.91 H new ATOM 0 HD11 LEU A 71 38.231 35.695 22.099 1.00 49.73 H new ATOM 0 HD12 LEU A 71 36.697 34.890 22.504 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.860 35.770 20.966 1.00 49.73 H new ATOM 0 HD21 LEU A 71 38.376 38.186 22.134 1.00 49.73 H new ATOM 0 HD22 LEU A 71 37.004 38.312 21.008 1.00 49.73 H new ATOM 0 HD23 LEU A 71 36.949 39.154 22.575 1.00 49.73 H new ATOM 1148 N ARG A 72 35.305 35.111 25.330 1.00 49.53 N ATOM 1149 CA ARG A 72 35.749 35.050 26.738 1.00 50.07 C ATOM 1150 C ARG A 72 37.273 35.084 26.829 1.00 50.51 C ATOM 1151 O ARG A 72 37.809 33.931 26.770 1.00 49.49 O ATOM 1152 CB ARG A 72 35.173 33.847 27.472 1.00 49.82 C ATOM 1153 CG ARG A 72 35.297 33.902 28.986 1.00 49.82 C ATOM 1154 CD ARG A 72 34.687 35.107 29.607 1.00 50.20 C ATOM 1155 NE ARG A 72 34.719 35.117 31.060 1.00 49.30 N ATOM 1156 CZ ARG A 72 34.409 36.183 31.825 1.00 50.64 C ATOM 1157 NH1 ARG A 72 34.080 37.333 31.282 1.00 49.20 N ATOM 1158 NH2 ARG A 72 34.468 36.047 33.138 1.00 49.20 N ATOM 0 H ARG A 72 35.542 34.277 24.792 1.00 49.53 H new ATOM 0 HA ARG A 72 35.360 35.936 27.239 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.119 33.751 27.212 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.673 32.947 27.113 1.00 49.82 H new ATOM 0 HG2 ARG A 72 34.829 33.013 29.410 1.00 49.82 H new ATOM 0 HG3 ARG A 72 36.353 33.865 29.254 1.00 49.82 H new ATOM 0 HD2 ARG A 72 35.205 35.992 29.239 1.00 50.20 H new ATOM 0 HD3 ARG A 72 33.651 35.185 29.278 1.00 50.20 H new ATOM 0 HE ARG A 72 34.995 34.257 31.534 1.00 49.30 H new ATOM 0 HH11 ARG A 72 34.056 37.429 30.267 1.00 49.20 H new ATOM 0 HH12 ARG A 72 33.848 38.130 31.876 1.00 49.20 H new ATOM 0 HH21 ARG A 72 34.742 35.153 33.546 1.00 49.20 H new ATOM 0 HH22 ARG A 72 34.239 36.836 33.743 1.00 49.20 H new ATOM 1172 N LEU A 73 37.903 36.205 26.953 1.00 49.53 N ATOM 1173 CA LEU A 73 39.386 36.220 27.025 1.00 50.07 C ATOM 1174 C LEU A 73 39.804 35.662 28.378 1.00 50.51 C ATOM 1175 O LEU A 73 38.988 35.549 29.306 1.00 49.49 O ATOM 1176 CB LEU A 73 39.923 37.644 26.831 1.00 49.82 C ATOM 1177 CG LEU A 73 39.591 38.287 25.479 1.00 49.91 C ATOM 1178 CD1 LEU A 73 40.096 39.723 25.445 1.00 49.73 C ATOM 1179 CD2 LEU A 73 40.218 37.470 24.359 1.00 49.73 C ATOM 0 H LEU A 73 37.457 37.120 27.008 1.00 49.53 H new ATOM 0 HA LEU A 73 39.804 35.605 26.228 1.00 50.07 H new ATOM 0 HB2 LEU A 73 39.525 38.277 27.624 1.00 49.82 H new ATOM 0 HB3 LEU A 73 41.006 37.626 26.951 1.00 49.82 H new ATOM 0 HG LEU A 73 38.510 38.302 25.340 1.00 49.91 H new ATOM 0 HD11 LEU A 73 39.855 40.171 24.481 1.00 49.73 H new ATOM 0 HD12 LEU A 73 39.619 40.296 26.240 1.00 49.73 H new ATOM 0 HD13 LEU A 73 41.176 39.732 25.590 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.982 37.928 23.398 1.00 49.73 H new ATOM 0 HD22 LEU A 73 41.300 37.442 24.491 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.823 36.455 24.384 1.00 49.73 H new ATOM 1191 N ARG A 74 41.073 35.293 28.434 1.00 49.53 N ATOM 1192 CA ARG A 74 41.672 34.719 29.650 1.00 50.07 C ATOM 1193 C ARG A 74 42.234 35.713 30.663 1.00 50.51 C ATOM 1194 O ARG A 74 43.288 36.332 30.431 1.00 49.49 O ATOM 1195 CB ARG A 74 42.716 33.667 29.308 1.00 49.82 C ATOM 1196 CG ARG A 74 43.052 32.708 30.439 1.00 49.82 C ATOM 1197 CD ARG A 74 44.046 31.664 30.081 1.00 50.20 C ATOM 1198 NE ARG A 74 43.613 30.754 29.033 1.00 49.30 N ATOM 1199 CZ ARG A 74 44.059 30.785 27.761 1.00 50.64 C ATOM 1200 NH1 ARG A 74 44.920 31.697 27.367 1.00 49.20 N ATOM 1201 NH2 ARG A 74 43.590 29.885 26.913 1.00 49.20 N ATOM 0 H ARG A 74 41.721 35.378 27.651 1.00 49.53 H new ATOM 0 HA ARG A 74 40.823 34.261 30.158 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.362 33.089 28.454 1.00 49.82 H new ATOM 0 HB3 ARG A 74 43.630 34.171 28.995 1.00 49.82 H new ATOM 0 HG2 ARG A 74 43.433 33.281 31.284 1.00 49.82 H new ATOM 0 HG3 ARG A 74 42.135 32.221 30.771 1.00 49.82 H new ATOM 0 HD2 ARG A 74 44.968 32.151 29.764 1.00 50.20 H new ATOM 0 HD3 ARG A 74 44.283 31.084 30.973 1.00 50.20 H new ATOM 0 HE ARG A 74 42.924 30.043 29.277 1.00 49.30 H new ATOM 0 HH11 ARG A 74 45.261 32.396 28.027 1.00 49.20 H new ATOM 0 HH12 ARG A 74 45.247 31.706 26.401 1.00 49.20 H new ATOM 0 HH21 ARG A 74 42.910 29.193 27.228 1.00 49.20 H new ATOM 0 HH22 ARG A 74 43.908 29.883 25.944 1.00 49.20 H new ATOM 1215 N GLY A 75 41.511 35.845 31.770 1.00 49.53 N ATOM 1216 CA GLY A 75 41.882 36.732 32.863 1.00 49.98 C ATOM 1217 C GLY A 75 41.097 38.028 32.918 1.00 50.51 C ATOM 1218 O GLY A 75 40.556 38.516 31.911 1.00 49.49 O ATOM 0 H GLY A 75 40.644 35.334 31.934 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.748 36.201 33.806 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.943 36.968 32.778 1.00 49.98 H new ATOM 1222 N GLY A 76 40.986 38.531 34.134 1.00 49.53 N ATOM 1223 CA GLY A 76 40.290 39.785 34.459 1.00 49.98 C ATOM 1224 C GLY A 76 39.949 39.941 35.950 1.00 50.51 C ATOM 1225 O GLY A 76 38.852 40.472 36.214 1.00 49.49 O ATOM 0 H GLY A 76 41.385 38.073 34.953 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.912 40.625 34.149 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.369 39.839 33.878 1.00 49.98 H new TER 1229 GLY A 76