USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= 2.37 K(o=3.3,f=1.1) USER MOD Set 1.2: A 14 THR OG1 : rot 160:sc= 0.961 USER MOD Single : A 1 MET CE :methyl -131:sc= -0.118 (180deg=-0.72) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.955 (180deg=0.822) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 113:sc= 0.104 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 1.13 (180deg=0.558) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.104 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.758 K(o=0.76,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1.16 (180deg=0.97) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 1.32 (180deg=1.24) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0139 K(o=-0.014,f=-0.63) USER MOD Single : A 41 GLN : amide:sc= -0.53 K(o=-0.53,f=-4.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.952 K(o=0.95,f=-5.6!) USER MOD Single : A 55 THR OG1 : rot -74:sc= 1.62 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.307 USER MOD Single : A 60 ASN : amide:sc= 0.0487 X(o=0.049,f=-0.036) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.354 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.440 31.351 16.476 1.00 0.00 N ATOM 2 CA MET A 1 13.592 30.856 17.853 1.00 0.00 C ATOM 3 C MET A 1 14.988 31.237 18.342 1.00 0.00 C ATOM 4 O MET A 1 15.943 30.690 17.775 1.00 0.00 O ATOM 5 CB MET A 1 13.505 29.329 17.899 1.00 0.00 C ATOM 6 CG MET A 1 13.515 28.762 19.314 1.00 0.00 C ATOM 7 SD MET A 1 13.275 26.978 19.118 1.00 0.00 S ATOM 8 CE MET A 1 15.022 26.504 19.161 1.00 0.00 C ATOM 0 H1 MET A 1 12.444 31.272 16.186 1.00 0.00 H new ATOM 0 H2 MET A 1 13.735 32.347 16.431 1.00 0.00 H new ATOM 0 H3 MET A 1 14.033 30.785 15.836 1.00 0.00 H new ATOM 0 HA MET A 1 12.802 31.288 18.467 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.593 29.010 17.394 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.342 28.908 17.342 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.457 28.979 19.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.722 29.201 19.919 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.240 25.841 18.324 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.643 27.397 19.088 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.236 25.988 20.097 1.00 0.00 H new ATOM 20 N GLN A 2 15.189 32.169 19.274 1.00 0.00 N ATOM 21 CA GLN A 2 16.483 32.519 19.836 1.00 0.00 C ATOM 22 C GLN A 2 17.084 31.502 20.799 1.00 0.00 C ATOM 23 O GLN A 2 16.389 30.990 21.687 1.00 0.00 O ATOM 24 CB GLN A 2 16.220 33.841 20.552 1.00 0.00 C ATOM 25 CG GLN A 2 17.312 34.595 21.314 1.00 0.00 C ATOM 26 CD GLN A 2 17.706 34.124 22.705 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.903 33.516 23.401 1.00 0.00 O ATOM 28 NE2 GLN A 2 18.953 34.382 23.109 1.00 0.00 N ATOM 0 H GLN A 2 14.425 32.717 19.669 1.00 0.00 H new ATOM 0 HA GLN A 2 17.227 32.566 19.041 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.831 34.530 19.802 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.415 33.656 21.263 1.00 0.00 H new ATOM 0 HG2 GLN A 2 18.210 34.583 20.697 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.996 35.635 21.397 1.00 0.00 H new ATOM 0 HE21 GLN A 2 19.592 34.892 22.499 1.00 0.00 H new ATOM 0 HE22 GLN A 2 19.266 34.069 24.028 1.00 0.00 H new ATOM 37 N ILE A 3 18.360 31.172 20.633 1.00 0.00 N ATOM 38 CA ILE A 3 19.044 30.479 21.698 1.00 0.00 C ATOM 39 C ILE A 3 20.293 31.235 22.188 1.00 0.00 C ATOM 40 O ILE A 3 20.888 31.892 21.333 1.00 0.00 O ATOM 41 CB ILE A 3 19.354 29.030 21.340 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.342 28.780 20.198 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.061 28.286 20.988 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.767 27.325 19.996 1.00 0.00 C ATOM 0 H ILE A 3 18.918 31.367 19.801 1.00 0.00 H new ATOM 0 HA ILE A 3 18.350 30.453 22.538 1.00 0.00 H new ATOM 0 HB ILE A 3 19.843 28.663 22.242 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.897 29.141 19.271 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.235 29.379 20.377 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.294 27.252 20.734 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.385 28.306 21.843 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.583 28.770 20.136 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.467 27.263 19.163 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.248 26.957 20.902 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.889 26.716 19.779 1.00 0.00 H new ATOM 56 N PHE A 4 20.709 31.006 23.423 1.00 0.00 N ATOM 57 CA PHE A 4 21.892 31.696 23.896 1.00 0.00 C ATOM 58 C PHE A 4 23.027 30.662 23.836 1.00 0.00 C ATOM 59 O PHE A 4 22.987 29.611 24.471 1.00 0.00 O ATOM 60 CB PHE A 4 21.712 32.034 25.368 1.00 0.00 C ATOM 61 CG PHE A 4 21.010 33.359 25.568 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.813 34.483 25.320 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.730 33.438 26.112 1.00 0.00 C ATOM 64 CE1 PHE A 4 21.347 35.752 25.691 1.00 0.00 C ATOM 65 CE2 PHE A 4 19.218 34.714 26.381 1.00 0.00 C ATOM 66 CZ PHE A 4 20.072 35.818 26.265 1.00 0.00 C ATOM 0 H PHE A 4 20.266 30.375 24.090 1.00 0.00 H new ATOM 0 HA PHE A 4 22.082 32.596 23.311 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.139 31.244 25.853 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.687 32.064 25.854 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.778 34.372 24.849 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.154 32.548 26.319 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.945 36.639 25.541 1.00 0.00 H new ATOM 0 HE2 PHE A 4 18.186 34.844 26.672 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.728 36.771 26.638 1.00 0.00 H new ATOM 76 N VAL A 5 24.157 30.972 23.213 1.00 0.00 N ATOM 77 CA VAL A 5 25.406 30.230 23.315 1.00 0.00 C ATOM 78 C VAL A 5 26.227 31.054 24.306 1.00 0.00 C ATOM 79 O VAL A 5 26.602 32.204 24.105 1.00 0.00 O ATOM 80 CB VAL A 5 26.058 30.250 21.928 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.509 29.829 21.736 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.286 29.264 21.041 1.00 0.00 C ATOM 0 H VAL A 5 24.231 31.782 22.597 1.00 0.00 H new ATOM 0 HA VAL A 5 25.303 29.193 23.634 1.00 0.00 H new ATOM 0 HB VAL A 5 26.030 31.315 21.698 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.776 29.915 20.683 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.157 30.475 22.329 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.634 28.795 22.059 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.724 29.252 20.043 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.342 28.265 21.473 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.243 29.573 20.976 1.00 0.00 H new ATOM 92 N LYS A 6 26.397 30.473 25.499 1.00 0.00 N ATOM 93 CA LYS A 6 27.106 31.143 26.576 1.00 0.00 C ATOM 94 C LYS A 6 28.499 30.523 26.652 1.00 0.00 C ATOM 95 O LYS A 6 28.688 29.329 26.440 1.00 0.00 O ATOM 96 CB LYS A 6 26.429 30.875 27.918 1.00 0.00 C ATOM 97 CG LYS A 6 26.752 31.879 29.031 1.00 0.00 C ATOM 98 CD LYS A 6 25.989 31.633 30.340 1.00 0.00 C ATOM 99 CE LYS A 6 26.218 32.705 31.401 1.00 0.00 C ATOM 100 NZ LYS A 6 27.578 32.647 31.976 1.00 0.00 N ATOM 0 H LYS A 6 26.051 29.543 25.735 1.00 0.00 H new ATOM 0 HA LYS A 6 27.125 32.216 26.383 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.350 30.863 27.765 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.714 29.879 28.257 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.822 31.846 29.235 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.526 32.884 28.675 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.923 31.574 30.122 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.285 30.666 30.745 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.054 33.689 30.961 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.484 32.586 32.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.685 33.394 32.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.728 31.719 32.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 28.280 32.787 31.222 1.00 0.00 H new ATOM 114 N THR A 7 29.473 31.326 27.089 1.00 0.00 N ATOM 115 CA THR A 7 30.721 30.883 27.657 1.00 0.00 C ATOM 116 C THR A 7 31.154 31.863 28.745 1.00 0.00 C ATOM 117 O THR A 7 30.893 33.066 28.763 1.00 0.00 O ATOM 118 CB THR A 7 31.702 30.520 26.540 1.00 0.00 C ATOM 119 OG1 THR A 7 32.849 29.898 27.053 1.00 0.00 O ATOM 120 CG2 THR A 7 32.063 31.698 25.628 1.00 0.00 C ATOM 0 H THR A 7 29.397 32.342 27.049 1.00 0.00 H new ATOM 0 HA THR A 7 30.644 29.942 28.201 1.00 0.00 H new ATOM 0 HB THR A 7 31.178 29.806 25.904 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.878 28.966 26.752 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.762 31.364 24.861 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.160 32.081 25.153 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.525 32.488 26.220 1.00 0.00 H new ATOM 128 N LEU A 8 32.036 31.265 29.545 1.00 0.00 N ATOM 129 CA LEU A 8 32.457 31.635 30.882 1.00 0.00 C ATOM 130 C LEU A 8 33.256 32.935 30.954 1.00 0.00 C ATOM 131 O LEU A 8 32.861 33.724 31.805 1.00 0.00 O ATOM 132 CB LEU A 8 33.221 30.459 31.485 1.00 0.00 C ATOM 133 CG LEU A 8 32.472 29.768 32.631 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.134 29.164 32.194 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.304 28.602 33.159 1.00 0.00 C ATOM 0 H LEU A 8 32.519 30.423 29.233 1.00 0.00 H new ATOM 0 HA LEU A 8 31.563 31.848 31.468 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.425 29.729 30.702 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.185 30.812 31.852 1.00 0.00 H new ATOM 0 HG LEU A 8 32.298 30.540 33.380 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.652 28.690 33.049 1.00 0.00 H new ATOM 0 HD12 LEU A 8 30.489 29.952 31.805 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.307 28.420 31.416 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.769 28.113 33.973 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.477 27.885 32.356 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.261 28.974 33.525 1.00 0.00 H new ATOM 147 N THR A 9 34.152 33.198 30.005 1.00 0.00 N ATOM 148 CA THR A 9 34.949 34.371 29.679 1.00 0.00 C ATOM 149 C THR A 9 34.175 35.674 29.523 1.00 0.00 C ATOM 150 O THR A 9 34.709 36.750 29.247 1.00 0.00 O ATOM 151 CB THR A 9 35.656 34.199 28.335 1.00 0.00 C ATOM 152 OG1 THR A 9 34.850 33.811 27.247 1.00 0.00 O ATOM 153 CG2 THR A 9 36.987 33.473 28.533 1.00 0.00 C ATOM 0 H THR A 9 34.367 32.459 29.335 1.00 0.00 H new ATOM 0 HA THR A 9 35.619 34.443 30.535 1.00 0.00 H new ATOM 0 HB THR A 9 35.912 35.192 27.967 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.403 33.733 26.442 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.484 33.355 27.570 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.623 34.055 29.200 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.804 32.491 28.970 1.00 0.00 H new ATOM 161 N GLY A 10 32.845 35.590 29.594 1.00 0.00 N ATOM 162 CA GLY A 10 31.959 36.736 29.735 1.00 0.00 C ATOM 163 C GLY A 10 31.300 37.141 28.415 1.00 0.00 C ATOM 164 O GLY A 10 30.475 38.044 28.416 1.00 0.00 O ATOM 0 H GLY A 10 32.347 34.700 29.554 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.185 36.503 30.466 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.525 37.581 30.128 1.00 0.00 H new ATOM 168 N LYS A 11 31.531 36.438 27.308 1.00 0.00 N ATOM 169 CA LYS A 11 30.754 36.494 26.084 1.00 0.00 C ATOM 170 C LYS A 11 29.478 35.652 26.230 1.00 0.00 C ATOM 171 O LYS A 11 29.628 34.483 26.569 1.00 0.00 O ATOM 172 CB LYS A 11 31.537 35.817 24.960 1.00 0.00 C ATOM 173 CG LYS A 11 32.771 36.597 24.508 1.00 0.00 C ATOM 174 CD LYS A 11 33.279 36.270 23.105 1.00 0.00 C ATOM 175 CE LYS A 11 34.419 37.175 22.654 1.00 0.00 C ATOM 176 NZ LYS A 11 35.001 36.708 21.389 1.00 0.00 N ATOM 0 H LYS A 11 32.308 35.781 27.243 1.00 0.00 H new ATOM 0 HA LYS A 11 30.533 37.541 25.877 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.847 34.826 25.292 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.876 35.674 24.105 1.00 0.00 H new ATOM 0 HG2 LYS A 11 32.543 37.662 24.554 1.00 0.00 H new ATOM 0 HG3 LYS A 11 33.576 36.413 25.219 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.615 35.233 23.079 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.454 36.355 22.398 1.00 0.00 H new ATOM 0 HE2 LYS A 11 34.052 38.194 22.534 1.00 0.00 H new ATOM 0 HE3 LYS A 11 35.190 37.203 23.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 36.004 36.981 21.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.922 35.673 21.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.491 37.139 20.592 1.00 0.00 H new ATOM 190 N THR A 12 28.268 36.147 25.988 1.00 0.00 N ATOM 191 CA THR A 12 27.035 35.401 25.920 1.00 0.00 C ATOM 192 C THR A 12 26.435 35.835 24.575 1.00 0.00 C ATOM 193 O THR A 12 26.081 36.999 24.415 1.00 0.00 O ATOM 194 CB THR A 12 26.182 35.758 27.145 1.00 0.00 C ATOM 195 OG1 THR A 12 26.931 35.487 28.306 1.00 0.00 O ATOM 196 CG2 THR A 12 24.756 35.217 27.167 1.00 0.00 C ATOM 0 H THR A 12 28.123 37.143 25.825 1.00 0.00 H new ATOM 0 HA THR A 12 27.132 34.316 25.952 1.00 0.00 H new ATOM 0 HB THR A 12 25.973 36.826 27.089 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.399 35.712 29.098 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.259 35.538 28.082 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.209 35.598 26.304 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.779 34.128 27.130 1.00 0.00 H new ATOM 204 N ILE A 13 26.611 34.929 23.626 1.00 0.00 N ATOM 205 CA ILE A 13 26.255 34.949 22.223 1.00 0.00 C ATOM 206 C ILE A 13 24.773 34.609 22.042 1.00 0.00 C ATOM 207 O ILE A 13 24.247 33.837 22.835 1.00 0.00 O ATOM 208 CB ILE A 13 27.294 34.150 21.427 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.703 34.730 21.516 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.863 33.975 19.970 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.645 33.819 22.313 1.00 0.00 C ATOM 0 H ILE A 13 27.068 34.047 23.858 1.00 0.00 H new ATOM 0 HA ILE A 13 26.313 35.946 21.786 1.00 0.00 H new ATOM 0 HB ILE A 13 27.339 33.167 21.896 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.101 34.874 20.511 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.663 35.712 21.987 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.621 33.405 19.432 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.913 33.442 19.933 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.748 34.954 19.505 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.638 34.268 22.353 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.261 33.696 23.326 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.706 32.845 21.827 1.00 0.00 H new ATOM 223 N THR A 14 24.097 35.123 21.008 1.00 0.00 N ATOM 224 CA THR A 14 22.679 34.957 20.760 1.00 0.00 C ATOM 225 C THR A 14 22.485 34.647 19.269 1.00 0.00 C ATOM 226 O THR A 14 22.972 35.370 18.411 1.00 0.00 O ATOM 227 CB THR A 14 21.819 36.078 21.351 1.00 0.00 C ATOM 228 OG1 THR A 14 20.414 35.939 21.426 1.00 0.00 O ATOM 229 CG2 THR A 14 22.129 37.453 20.768 1.00 0.00 C ATOM 0 H THR A 14 24.554 35.691 20.294 1.00 0.00 H new ATOM 0 HA THR A 14 22.292 34.100 21.311 1.00 0.00 H new ATOM 0 HB THR A 14 22.150 35.975 22.384 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.059 36.563 22.093 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.483 38.199 21.232 1.00 0.00 H new ATOM 0 HG22 THR A 14 23.172 37.704 20.963 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.954 37.440 19.692 1.00 0.00 H new ATOM 237 N LEU A 15 21.870 33.515 18.955 1.00 0.00 N ATOM 238 CA LEU A 15 21.514 33.110 17.600 1.00 0.00 C ATOM 239 C LEU A 15 20.024 32.823 17.412 1.00 0.00 C ATOM 240 O LEU A 15 19.413 32.230 18.300 1.00 0.00 O ATOM 241 CB LEU A 15 22.318 31.902 17.131 1.00 0.00 C ATOM 242 CG LEU A 15 23.824 32.056 16.932 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.470 30.724 16.558 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.101 33.225 15.996 1.00 0.00 C ATOM 0 H LEU A 15 21.596 32.830 19.659 1.00 0.00 H new ATOM 0 HA LEU A 15 21.764 33.975 16.986 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.160 31.100 17.852 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.892 31.569 16.185 1.00 0.00 H new ATOM 0 HG LEU A 15 24.314 32.320 17.869 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.542 30.865 16.423 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.297 29.999 17.354 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.033 30.355 15.630 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.177 33.332 15.856 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.626 33.040 15.032 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.698 34.141 16.429 1.00 0.00 H new ATOM 256 N GLU A 16 19.480 33.089 16.232 1.00 0.00 N ATOM 257 CA GLU A 16 18.136 32.881 15.735 1.00 0.00 C ATOM 258 C GLU A 16 18.186 31.562 14.947 1.00 0.00 C ATOM 259 O GLU A 16 18.928 31.389 13.987 1.00 0.00 O ATOM 260 CB GLU A 16 17.824 34.035 14.784 1.00 0.00 C ATOM 261 CG GLU A 16 16.397 34.168 14.250 1.00 0.00 C ATOM 262 CD GLU A 16 15.261 33.847 15.213 1.00 0.00 C ATOM 263 OE1 GLU A 16 15.354 34.117 16.426 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.204 33.384 14.739 1.00 0.00 O ATOM 0 H GLU A 16 20.056 33.514 15.506 1.00 0.00 H new ATOM 0 HA GLU A 16 17.384 32.840 16.523 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.076 34.964 15.295 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.493 33.950 13.928 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.262 35.190 13.897 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.299 33.516 13.382 1.00 0.00 H new ATOM 271 N VAL A 17 17.387 30.562 15.322 1.00 0.00 N ATOM 272 CA VAL A 17 17.283 29.270 14.677 1.00 0.00 C ATOM 273 C VAL A 17 15.852 28.822 14.384 1.00 0.00 C ATOM 274 O VAL A 17 14.919 29.483 14.857 1.00 0.00 O ATOM 275 CB VAL A 17 18.104 28.340 15.568 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.624 28.295 15.369 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.715 28.489 17.048 1.00 0.00 C ATOM 0 H VAL A 17 16.766 30.645 16.127 1.00 0.00 H new ATOM 0 HA VAL A 17 17.680 29.282 13.662 1.00 0.00 H new ATOM 0 HB VAL A 17 17.812 27.355 15.205 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.063 27.590 16.075 1.00 0.00 H new ATOM 0 HG12 VAL A 17 19.848 27.977 14.351 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.043 29.287 15.540 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.319 27.813 17.653 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.890 29.516 17.368 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.660 28.244 17.173 1.00 0.00 H new ATOM 287 N GLU A 18 15.644 27.792 13.566 1.00 0.00 N ATOM 288 CA GLU A 18 14.451 26.978 13.608 1.00 0.00 C ATOM 289 C GLU A 18 14.884 25.800 14.484 1.00 0.00 C ATOM 290 O GLU A 18 16.071 25.542 14.647 1.00 0.00 O ATOM 291 CB GLU A 18 14.106 26.481 12.209 1.00 0.00 C ATOM 292 CG GLU A 18 13.606 27.642 11.349 1.00 0.00 C ATOM 293 CD GLU A 18 13.306 27.282 9.899 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.813 26.222 9.491 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.648 28.117 9.244 1.00 0.00 O ATOM 0 H GLU A 18 16.312 27.504 12.851 1.00 0.00 H new ATOM 0 HA GLU A 18 13.574 27.507 13.980 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.984 26.028 11.748 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.342 25.706 12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.702 28.048 11.802 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.354 28.435 11.364 1.00 0.00 H new ATOM 302 N PRO A 19 13.967 25.089 15.128 1.00 0.00 N ATOM 303 CA PRO A 19 14.279 23.962 15.979 1.00 0.00 C ATOM 304 C PRO A 19 14.931 22.798 15.223 1.00 0.00 C ATOM 305 O PRO A 19 15.580 21.958 15.828 1.00 0.00 O ATOM 306 CB PRO A 19 12.998 23.555 16.719 1.00 0.00 C ATOM 307 CG PRO A 19 11.919 24.224 15.871 1.00 0.00 C ATOM 308 CD PRO A 19 12.535 25.319 15.009 1.00 0.00 C ATOM 0 HA PRO A 19 15.036 24.259 16.705 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.875 22.473 16.757 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.989 23.914 17.748 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.432 23.483 15.238 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.149 24.648 16.516 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.203 25.247 13.973 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.258 26.311 15.365 1.00 0.00 H new ATOM 316 N SER A 20 14.741 22.795 13.898 1.00 0.00 N ATOM 317 CA SER A 20 15.206 21.734 13.027 1.00 0.00 C ATOM 318 C SER A 20 16.594 21.971 12.445 1.00 0.00 C ATOM 319 O SER A 20 17.026 21.205 11.587 1.00 0.00 O ATOM 320 CB SER A 20 14.041 21.670 12.036 1.00 0.00 C ATOM 321 OG SER A 20 13.732 22.975 11.595 1.00 0.00 O ATOM 0 H SER A 20 14.253 23.543 13.405 1.00 0.00 H new ATOM 0 HA SER A 20 15.399 20.777 13.512 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.305 21.040 11.187 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.170 21.218 12.510 1.00 0.00 H new ATOM 0 HG SER A 20 12.987 22.938 10.959 1.00 0.00 H new ATOM 327 N ASP A 21 17.265 23.079 12.761 1.00 0.00 N ATOM 328 CA ASP A 21 18.618 23.367 12.320 1.00 0.00 C ATOM 329 C ASP A 21 19.515 22.330 12.998 1.00 0.00 C ATOM 330 O ASP A 21 19.380 22.068 14.190 1.00 0.00 O ATOM 331 CB ASP A 21 18.858 24.831 12.680 1.00 0.00 C ATOM 332 CG ASP A 21 19.852 25.513 11.748 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.084 24.985 10.640 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.321 26.603 12.121 1.00 0.00 O ATOM 0 H ASP A 21 16.868 23.815 13.345 1.00 0.00 H new ATOM 0 HA ASP A 21 18.822 23.277 11.253 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.910 25.368 12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.226 24.893 13.704 1.00 0.00 H new ATOM 339 N THR A 22 20.519 21.908 12.220 1.00 0.00 N ATOM 340 CA THR A 22 21.483 20.950 12.725 1.00 0.00 C ATOM 341 C THR A 22 22.596 21.701 13.458 1.00 0.00 C ATOM 342 O THR A 22 22.962 22.846 13.207 1.00 0.00 O ATOM 343 CB THR A 22 22.138 20.202 11.570 1.00 0.00 C ATOM 344 OG1 THR A 22 22.822 21.008 10.637 1.00 0.00 O ATOM 345 CG2 THR A 22 21.191 19.280 10.807 1.00 0.00 C ATOM 0 H THR A 22 20.676 22.213 11.259 1.00 0.00 H new ATOM 0 HA THR A 22 20.965 20.254 13.385 1.00 0.00 H new ATOM 0 HB THR A 22 22.878 19.602 12.099 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.209 20.442 9.937 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.735 18.786 10.002 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.788 18.529 11.487 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.373 19.865 10.387 1.00 0.00 H new ATOM 353 N ILE A 23 23.141 21.064 14.489 1.00 0.00 N ATOM 354 CA ILE A 23 24.214 21.613 15.299 1.00 0.00 C ATOM 355 C ILE A 23 25.446 22.016 14.476 1.00 0.00 C ATOM 356 O ILE A 23 26.198 22.882 14.904 1.00 0.00 O ATOM 357 CB ILE A 23 24.558 20.676 16.453 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.266 20.627 17.271 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.816 21.049 17.245 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.211 19.331 18.083 1.00 0.00 C ATOM 0 H ILE A 23 22.842 20.136 14.787 1.00 0.00 H new ATOM 0 HA ILE A 23 23.845 22.544 15.730 1.00 0.00 H new ATOM 0 HB ILE A 23 24.856 19.689 16.100 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.216 21.487 17.939 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.403 20.687 16.608 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.973 20.322 18.042 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.679 21.049 16.579 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.692 22.041 17.678 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.288 19.304 18.663 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.240 18.477 17.407 1.00 0.00 H new ATOM 0 HD13 ILE A 23 24.065 19.288 18.759 1.00 0.00 H new ATOM 372 N GLU A 24 25.678 21.398 13.324 1.00 0.00 N ATOM 373 CA GLU A 24 26.817 21.660 12.468 1.00 0.00 C ATOM 374 C GLU A 24 26.620 22.998 11.755 1.00 0.00 C ATOM 375 O GLU A 24 27.496 23.846 11.858 1.00 0.00 O ATOM 376 CB GLU A 24 26.794 20.660 11.312 1.00 0.00 C ATOM 377 CG GLU A 24 27.203 19.338 11.968 1.00 0.00 C ATOM 378 CD GLU A 24 27.693 18.244 11.036 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.313 18.587 10.016 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.429 17.052 11.321 1.00 0.00 O ATOM 0 H GLU A 24 25.056 20.679 12.953 1.00 0.00 H new ATOM 0 HA GLU A 24 27.718 21.621 13.080 1.00 0.00 H new ATOM 0 HB2 GLU A 24 25.805 20.593 10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.487 20.946 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.989 19.546 12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 24 26.348 18.954 12.525 1.00 0.00 H new ATOM 387 N ASN A 25 25.406 23.253 11.269 1.00 0.00 N ATOM 388 CA ASN A 25 25.008 24.498 10.649 1.00 0.00 C ATOM 389 C ASN A 25 25.089 25.670 11.637 1.00 0.00 C ATOM 390 O ASN A 25 25.720 26.657 11.272 1.00 0.00 O ATOM 391 CB ASN A 25 23.632 24.347 10.013 1.00 0.00 C ATOM 392 CG ASN A 25 23.316 25.539 9.124 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.203 26.026 8.417 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.089 26.052 9.143 1.00 0.00 N ATOM 0 H ASN A 25 24.651 22.568 11.302 1.00 0.00 H new ATOM 0 HA ASN A 25 25.710 24.737 9.850 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.596 23.430 9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.874 24.257 10.791 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.866 26.863 8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.371 25.634 9.734 1.00 0.00 H new ATOM 401 N VAL A 26 24.497 25.516 12.820 1.00 0.00 N ATOM 402 CA VAL A 26 24.714 26.379 13.960 1.00 0.00 C ATOM 403 C VAL A 26 26.191 26.472 14.328 1.00 0.00 C ATOM 404 O VAL A 26 26.565 27.561 14.746 1.00 0.00 O ATOM 405 CB VAL A 26 23.859 25.987 15.165 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.109 26.760 16.463 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.365 26.091 14.836 1.00 0.00 C ATOM 0 H VAL A 26 23.835 24.763 13.008 1.00 0.00 H new ATOM 0 HA VAL A 26 24.388 27.374 13.657 1.00 0.00 H new ATOM 0 HB VAL A 26 24.171 24.960 15.357 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.442 26.390 17.241 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.144 26.621 16.776 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.919 27.821 16.297 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.779 25.807 15.710 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.125 27.117 14.556 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.128 25.424 14.007 1.00 0.00 H new ATOM 417 N LYS A 27 27.138 25.539 14.182 1.00 0.00 N ATOM 418 CA LYS A 27 28.515 25.652 14.596 1.00 0.00 C ATOM 419 C LYS A 27 29.283 26.535 13.601 1.00 0.00 C ATOM 420 O LYS A 27 30.383 26.978 13.896 1.00 0.00 O ATOM 421 CB LYS A 27 29.016 24.214 14.639 1.00 0.00 C ATOM 422 CG LYS A 27 29.249 23.727 16.071 1.00 0.00 C ATOM 423 CD LYS A 27 29.790 22.305 16.208 1.00 0.00 C ATOM 424 CE LYS A 27 29.708 21.738 17.618 1.00 0.00 C ATOM 425 NZ LYS A 27 30.361 20.421 17.637 1.00 0.00 N ATOM 0 H LYS A 27 26.939 24.639 13.745 1.00 0.00 H new ATOM 0 HA LYS A 27 28.650 26.131 15.566 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.292 23.564 14.149 1.00 0.00 H new ATOM 0 HB3 LYS A 27 29.946 24.138 14.075 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.945 24.409 16.558 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.307 23.791 16.615 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.237 21.652 15.533 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.830 22.292 15.883 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.194 22.411 18.324 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.667 21.648 17.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.070 19.902 18.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.082 19.883 16.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.394 20.546 17.642 1.00 0.00 H new ATOM 439 N ALA A 28 28.724 26.733 12.407 1.00 0.00 N ATOM 440 CA ALA A 28 29.223 27.659 11.410 1.00 0.00 C ATOM 441 C ALA A 28 28.603 29.053 11.518 1.00 0.00 C ATOM 442 O ALA A 28 29.236 30.057 11.194 1.00 0.00 O ATOM 443 CB ALA A 28 28.834 27.109 10.036 1.00 0.00 C ATOM 0 H ALA A 28 27.887 26.235 12.105 1.00 0.00 H new ATOM 0 HA ALA A 28 30.299 27.752 11.559 1.00 0.00 H new ATOM 0 HB1 ALA A 28 29.195 27.783 9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.281 26.124 9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.749 27.027 9.971 1.00 0.00 H new ATOM 449 N LYS A 29 27.457 29.114 12.179 1.00 0.00 N ATOM 450 CA LYS A 29 26.809 30.353 12.558 1.00 0.00 C ATOM 451 C LYS A 29 27.488 31.086 13.717 1.00 0.00 C ATOM 452 O LYS A 29 27.392 32.305 13.835 1.00 0.00 O ATOM 453 CB LYS A 29 25.316 30.231 12.859 1.00 0.00 C ATOM 454 CG LYS A 29 24.515 29.914 11.595 1.00 0.00 C ATOM 455 CD LYS A 29 23.036 29.627 11.848 1.00 0.00 C ATOM 456 CE LYS A 29 22.399 29.088 10.561 1.00 0.00 C ATOM 457 NZ LYS A 29 20.984 28.766 10.816 1.00 0.00 N ATOM 0 H LYS A 29 26.943 28.283 12.472 1.00 0.00 H new ATOM 0 HA LYS A 29 26.922 30.949 11.652 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.156 29.447 13.599 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.954 31.161 13.297 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.598 30.754 10.905 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.962 29.051 11.102 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.927 28.901 12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.526 30.536 12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.478 29.828 9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.931 28.199 10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.540 28.432 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.922 28.021 11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.489 29.617 11.152 1.00 0.00 H new ATOM 471 N ILE A 30 28.144 30.378 14.640 1.00 0.00 N ATOM 472 CA ILE A 30 29.155 30.821 15.572 1.00 0.00 C ATOM 473 C ILE A 30 30.458 31.298 14.937 1.00 0.00 C ATOM 474 O ILE A 30 30.963 32.335 15.370 1.00 0.00 O ATOM 475 CB ILE A 30 29.330 29.656 16.554 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.995 29.219 17.179 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.273 29.862 17.750 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.146 27.983 18.066 1.00 0.00 C ATOM 0 H ILE A 30 27.953 29.383 14.755 1.00 0.00 H new ATOM 0 HA ILE A 30 28.832 31.730 16.080 1.00 0.00 H new ATOM 0 HB ILE A 30 29.778 28.915 15.892 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.587 30.039 17.769 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.277 29.009 16.386 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.296 28.956 18.355 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.277 30.082 17.388 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.915 30.694 18.356 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.176 27.714 18.484 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.528 27.153 17.471 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.843 28.199 18.876 1.00 0.00 H new ATOM 490 N GLN A 31 30.865 30.762 13.789 1.00 0.00 N ATOM 491 CA GLN A 31 32.017 31.280 13.067 1.00 0.00 C ATOM 492 C GLN A 31 31.770 32.700 12.546 1.00 0.00 C ATOM 493 O GLN A 31 32.531 33.623 12.857 1.00 0.00 O ATOM 494 CB GLN A 31 32.336 30.409 11.857 1.00 0.00 C ATOM 495 CG GLN A 31 33.554 30.985 11.112 1.00 0.00 C ATOM 496 CD GLN A 31 33.967 30.045 9.983 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.379 29.022 9.647 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.042 30.513 9.356 1.00 0.00 N ATOM 0 H GLN A 31 30.410 29.967 13.340 1.00 0.00 H new ATOM 0 HA GLN A 31 32.845 31.281 13.776 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.542 29.387 12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.475 30.367 11.190 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.312 31.968 10.708 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.384 31.121 11.805 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.489 31.370 9.681 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.419 30.015 8.550 1.00 0.00 H new ATOM 507 N ASP A 32 30.686 32.898 11.813 1.00 0.00 N ATOM 508 CA ASP A 32 30.039 34.119 11.359 1.00 0.00 C ATOM 509 C ASP A 32 30.094 35.232 12.403 1.00 0.00 C ATOM 510 O ASP A 32 30.337 36.355 11.983 1.00 0.00 O ATOM 511 CB ASP A 32 28.724 33.900 10.612 1.00 0.00 C ATOM 512 CG ASP A 32 27.959 35.163 10.244 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.372 35.810 9.258 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.940 35.494 10.886 1.00 0.00 O ATOM 0 H ASP A 32 30.166 32.088 11.475 1.00 0.00 H new ATOM 0 HA ASP A 32 30.645 34.525 10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.934 33.345 9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.079 33.271 11.226 1.00 0.00 H new ATOM 519 N LYS A 33 30.031 34.947 13.698 1.00 0.00 N ATOM 520 CA LYS A 33 30.244 35.908 14.763 1.00 0.00 C ATOM 521 C LYS A 33 31.666 35.972 15.297 1.00 0.00 C ATOM 522 O LYS A 33 32.156 37.079 15.512 1.00 0.00 O ATOM 523 CB LYS A 33 29.387 35.557 15.981 1.00 0.00 C ATOM 524 CG LYS A 33 27.903 35.325 15.725 1.00 0.00 C ATOM 525 CD LYS A 33 27.048 36.476 15.186 1.00 0.00 C ATOM 526 CE LYS A 33 25.534 36.410 15.338 1.00 0.00 C ATOM 527 NZ LYS A 33 24.873 37.599 14.791 1.00 0.00 N ATOM 0 H LYS A 33 29.823 34.010 14.042 1.00 0.00 H new ATOM 0 HA LYS A 33 29.988 36.861 14.300 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.799 34.658 16.440 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.486 36.361 16.710 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.817 34.496 15.023 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.456 34.996 16.663 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.387 37.392 15.671 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.267 36.578 14.123 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.158 35.521 14.832 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.280 36.307 16.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.844 37.512 14.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.212 38.446 15.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.093 37.684 13.778 1.00 0.00 H new ATOM 541 N GLU A 34 32.214 34.865 15.792 1.00 0.00 N ATOM 542 CA GLU A 34 33.379 34.905 16.671 1.00 0.00 C ATOM 543 C GLU A 34 34.727 34.861 15.962 1.00 0.00 C ATOM 544 O GLU A 34 35.766 35.187 16.538 1.00 0.00 O ATOM 545 CB GLU A 34 33.286 33.627 17.502 1.00 0.00 C ATOM 546 CG GLU A 34 32.408 33.835 18.738 1.00 0.00 C ATOM 547 CD GLU A 34 33.198 34.698 19.709 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.146 34.366 20.457 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.963 35.925 19.740 1.00 0.00 O ATOM 0 H GLU A 34 31.868 33.925 15.598 1.00 0.00 H new ATOM 0 HA GLU A 34 33.352 35.845 17.222 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.876 32.822 16.892 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.284 33.316 17.810 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.470 34.320 18.467 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.152 32.879 19.194 1.00 0.00 H new ATOM 556 N GLY A 35 34.649 34.352 14.728 1.00 0.00 N ATOM 557 CA GLY A 35 35.810 34.104 13.887 1.00 0.00 C ATOM 558 C GLY A 35 36.437 32.712 13.870 1.00 0.00 C ATOM 559 O GLY A 35 37.512 32.581 13.281 1.00 0.00 O ATOM 0 H GLY A 35 33.765 34.100 14.286 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.531 34.350 12.862 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.586 34.809 14.184 1.00 0.00 H new ATOM 563 N ILE A 36 35.895 31.733 14.591 1.00 0.00 N ATOM 564 CA ILE A 36 36.493 30.466 14.980 1.00 0.00 C ATOM 565 C ILE A 36 36.097 29.356 14.008 1.00 0.00 C ATOM 566 O ILE A 36 34.900 29.285 13.717 1.00 0.00 O ATOM 567 CB ILE A 36 35.987 30.153 16.390 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.529 31.077 17.481 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.220 28.694 16.779 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.851 30.983 18.842 1.00 0.00 C ATOM 0 H ILE A 36 34.943 31.818 14.947 1.00 0.00 H new ATOM 0 HA ILE A 36 37.581 30.531 14.961 1.00 0.00 H new ATOM 0 HB ILE A 36 34.915 30.340 16.330 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.590 30.866 17.612 1.00 0.00 H new ATOM 0 HG13 ILE A 36 36.449 32.106 17.129 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.844 28.522 17.788 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.695 28.043 16.080 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.287 28.475 16.747 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.321 31.684 19.532 1.00 0.00 H new ATOM 0 HD12 ILE A 36 34.794 31.228 18.740 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.953 29.969 19.230 1.00 0.00 H new ATOM 582 N PRO A 37 36.997 28.447 13.660 1.00 0.00 N ATOM 583 CA PRO A 37 36.691 27.273 12.870 1.00 0.00 C ATOM 584 C PRO A 37 36.071 26.103 13.637 1.00 0.00 C ATOM 585 O PRO A 37 36.485 25.890 14.783 1.00 0.00 O ATOM 586 CB PRO A 37 37.970 26.737 12.232 1.00 0.00 C ATOM 587 CG PRO A 37 39.045 27.278 13.172 1.00 0.00 C ATOM 588 CD PRO A 37 38.444 28.542 13.786 1.00 0.00 C ATOM 0 HA PRO A 37 35.952 27.623 12.149 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.978 25.648 12.187 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.100 27.099 11.212 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.298 26.549 13.942 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.964 27.502 12.631 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.732 28.633 14.833 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.815 29.430 13.275 1.00 0.00 H new ATOM 596 N PRO A 38 35.045 25.419 13.143 1.00 0.00 N ATOM 597 CA PRO A 38 34.126 24.636 13.934 1.00 0.00 C ATOM 598 C PRO A 38 34.709 23.405 14.615 1.00 0.00 C ATOM 599 O PRO A 38 34.136 22.901 15.579 1.00 0.00 O ATOM 600 CB PRO A 38 33.017 24.208 12.967 1.00 0.00 C ATOM 601 CG PRO A 38 33.529 24.458 11.544 1.00 0.00 C ATOM 602 CD PRO A 38 34.663 25.455 11.740 1.00 0.00 C ATOM 0 HA PRO A 38 33.790 25.255 14.766 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.771 23.155 13.107 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.105 24.776 13.152 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.881 23.538 11.077 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.747 24.862 10.902 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.512 25.199 11.106 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.344 26.458 11.456 1.00 0.00 H new ATOM 610 N ASP A 39 35.836 22.829 14.186 1.00 0.00 N ATOM 611 CA ASP A 39 36.455 21.632 14.700 1.00 0.00 C ATOM 612 C ASP A 39 37.196 21.918 16.010 1.00 0.00 C ATOM 613 O ASP A 39 37.648 20.997 16.680 1.00 0.00 O ATOM 614 CB ASP A 39 37.467 21.111 13.667 1.00 0.00 C ATOM 615 CG ASP A 39 38.549 22.079 13.236 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.215 23.057 12.536 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.757 21.784 13.418 1.00 0.00 O ATOM 0 H ASP A 39 36.369 23.227 13.413 1.00 0.00 H new ATOM 0 HA ASP A 39 35.677 20.892 14.889 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.947 20.223 14.077 1.00 0.00 H new ATOM 0 HB3 ASP A 39 36.918 20.796 12.780 1.00 0.00 H new ATOM 622 N GLN A 40 37.085 23.146 16.519 1.00 0.00 N ATOM 623 CA GLN A 40 37.476 23.607 17.838 1.00 0.00 C ATOM 624 C GLN A 40 36.263 23.564 18.761 1.00 0.00 C ATOM 625 O GLN A 40 36.559 23.643 19.955 1.00 0.00 O ATOM 626 CB GLN A 40 37.909 25.073 17.778 1.00 0.00 C ATOM 627 CG GLN A 40 39.044 25.202 16.765 1.00 0.00 C ATOM 628 CD GLN A 40 39.783 26.522 16.915 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.443 27.472 17.617 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.896 26.658 16.192 1.00 0.00 N ATOM 0 H GLN A 40 36.684 23.903 15.966 1.00 0.00 H new ATOM 0 HA GLN A 40 38.287 22.972 18.194 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.069 25.704 17.488 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.238 25.411 18.761 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.744 24.376 16.895 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.641 25.123 15.755 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.214 25.894 15.596 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.429 27.526 16.235 1.00 0.00 H new ATOM 639 N GLN A 41 34.995 23.518 18.347 1.00 0.00 N ATOM 640 CA GLN A 41 33.881 23.878 19.196 1.00 0.00 C ATOM 641 C GLN A 41 33.214 22.656 19.828 1.00 0.00 C ATOM 642 O GLN A 41 32.830 21.732 19.106 1.00 0.00 O ATOM 643 CB GLN A 41 32.895 24.483 18.200 1.00 0.00 C ATOM 644 CG GLN A 41 33.381 25.687 17.397 1.00 0.00 C ATOM 645 CD GLN A 41 33.501 26.885 18.328 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.221 26.806 19.317 1.00 0.00 O ATOM 647 NE2 GLN A 41 33.005 28.065 17.960 1.00 0.00 N ATOM 0 H GLN A 41 34.722 23.228 17.408 1.00 0.00 H new ATOM 0 HA GLN A 41 34.191 24.525 20.016 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.599 23.703 17.498 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.998 24.778 18.745 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.345 25.469 16.937 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.684 25.907 16.588 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.406 28.132 17.137 1.00 0.00 H new ATOM 0 HE22 GLN A 41 33.224 28.902 18.501 1.00 0.00 H new ATOM 656 N ARG A 42 33.060 22.554 21.148 1.00 0.00 N ATOM 657 CA ARG A 42 32.443 21.357 21.693 1.00 0.00 C ATOM 658 C ARG A 42 31.358 21.976 22.577 1.00 0.00 C ATOM 659 O ARG A 42 31.660 22.796 23.439 1.00 0.00 O ATOM 660 CB ARG A 42 33.452 20.447 22.384 1.00 0.00 C ATOM 661 CG ARG A 42 32.958 19.037 22.745 1.00 0.00 C ATOM 662 CD ARG A 42 32.128 19.025 24.021 1.00 0.00 C ATOM 663 NE ARG A 42 32.817 18.360 25.129 1.00 0.00 N ATOM 664 CZ ARG A 42 32.794 17.030 25.239 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.301 16.132 24.362 1.00 0.00 N ATOM 666 NH2 ARG A 42 33.463 16.527 26.283 1.00 0.00 N ATOM 0 H ARG A 42 33.342 23.257 21.831 1.00 0.00 H new ATOM 0 HA ARG A 42 32.025 20.659 20.968 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.324 20.349 21.738 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.786 20.938 23.298 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.362 18.642 21.923 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.815 18.374 22.865 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.891 20.050 24.307 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.181 18.520 23.830 1.00 0.00 H new ATOM 0 HE ARG A 42 33.318 18.917 25.821 1.00 0.00 H new ATOM 0 HH11 ARG A 42 31.881 16.450 23.488 1.00 0.00 H new ATOM 0 HH12 ARG A 42 32.348 15.135 24.572 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.945 17.152 26.929 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.491 15.518 26.433 1.00 0.00 H new ATOM 680 N LEU A 43 30.096 21.571 22.435 1.00 0.00 N ATOM 681 CA LEU A 43 28.923 22.005 23.155 1.00 0.00 C ATOM 682 C LEU A 43 28.442 21.048 24.251 1.00 0.00 C ATOM 683 O LEU A 43 28.427 19.828 24.087 1.00 0.00 O ATOM 684 CB LEU A 43 27.727 22.121 22.201 1.00 0.00 C ATOM 685 CG LEU A 43 27.965 23.136 21.084 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.689 23.243 20.246 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.275 24.568 21.526 1.00 0.00 C ATOM 0 H LEU A 43 29.858 20.861 21.742 1.00 0.00 H new ATOM 0 HA LEU A 43 29.234 22.948 23.605 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.520 21.145 21.762 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.842 22.410 22.767 1.00 0.00 H new ATOM 0 HG LEU A 43 28.841 22.756 20.558 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.841 23.964 19.443 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.451 22.269 19.819 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.865 23.573 20.879 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.425 25.196 20.647 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.442 24.956 22.112 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.180 24.573 22.134 1.00 0.00 H new ATOM 699 N ILE A 44 28.128 21.624 25.397 1.00 0.00 N ATOM 700 CA ILE A 44 27.419 21.008 26.509 1.00 0.00 C ATOM 701 C ILE A 44 26.257 21.946 26.884 1.00 0.00 C ATOM 702 O ILE A 44 26.200 23.114 26.530 1.00 0.00 O ATOM 703 CB ILE A 44 28.362 20.641 27.646 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.729 20.122 27.204 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.757 19.765 28.740 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.729 19.674 28.269 1.00 0.00 C ATOM 0 H ILE A 44 28.376 22.594 25.590 1.00 0.00 H new ATOM 0 HA ILE A 44 26.990 20.045 26.233 1.00 0.00 H new ATOM 0 HB ILE A 44 28.537 21.613 28.108 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.560 19.278 26.535 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.204 20.906 26.615 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.510 19.561 29.501 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.912 20.282 29.195 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.416 18.825 28.306 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.646 19.335 27.787 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.955 20.510 28.931 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.301 18.857 28.850 1.00 0.00 H new ATOM 718 N PHE A 45 25.304 21.254 27.507 1.00 0.00 N ATOM 719 CA PHE A 45 23.906 21.626 27.618 1.00 0.00 C ATOM 720 C PHE A 45 23.527 21.598 29.100 1.00 0.00 C ATOM 721 O PHE A 45 24.316 22.006 29.958 1.00 0.00 O ATOM 722 CB PHE A 45 23.051 20.949 26.553 1.00 0.00 C ATOM 723 CG PHE A 45 21.567 21.135 26.680 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.940 22.302 27.137 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.720 20.093 26.278 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.562 22.302 27.351 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.330 20.119 26.462 1.00 0.00 C ATOM 728 CZ PHE A 45 18.715 21.234 27.047 1.00 0.00 C ATOM 0 H PHE A 45 25.505 20.369 27.972 1.00 0.00 H new ATOM 0 HA PHE A 45 23.684 22.656 27.341 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.361 21.321 25.577 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.265 19.880 26.569 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.519 23.194 27.322 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.159 19.228 25.803 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.120 23.188 27.781 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.731 19.276 26.151 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.655 21.265 27.250 1.00 0.00 H new ATOM 738 N ALA A 46 22.488 20.898 29.527 1.00 0.00 N ATOM 739 CA ALA A 46 22.028 20.549 30.857 1.00 0.00 C ATOM 740 C ALA A 46 22.738 19.300 31.364 1.00 0.00 C ATOM 741 O ALA A 46 22.075 18.366 31.820 1.00 0.00 O ATOM 742 CB ALA A 46 20.507 20.374 30.813 1.00 0.00 C ATOM 0 H ALA A 46 21.852 20.502 28.835 1.00 0.00 H new ATOM 0 HA ALA A 46 22.269 21.345 31.561 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.142 20.111 31.806 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.043 21.306 30.491 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.252 19.580 30.111 1.00 0.00 H new ATOM 748 N GLY A 47 24.048 19.274 31.155 1.00 0.00 N ATOM 749 CA GLY A 47 24.987 18.220 31.474 1.00 0.00 C ATOM 750 C GLY A 47 25.463 17.404 30.264 1.00 0.00 C ATOM 751 O GLY A 47 26.577 16.903 30.311 1.00 0.00 O ATOM 0 H GLY A 47 24.518 20.066 30.717 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.856 18.660 31.964 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.524 17.544 32.193 1.00 0.00 H new ATOM 755 N LYS A 48 24.653 17.437 29.208 1.00 0.00 N ATOM 756 CA LYS A 48 24.833 16.595 28.051 1.00 0.00 C ATOM 757 C LYS A 48 25.768 17.126 26.957 1.00 0.00 C ATOM 758 O LYS A 48 25.587 18.293 26.597 1.00 0.00 O ATOM 759 CB LYS A 48 23.492 16.367 27.363 1.00 0.00 C ATOM 760 CG LYS A 48 22.320 15.927 28.237 1.00 0.00 C ATOM 761 CD LYS A 48 21.098 15.366 27.508 1.00 0.00 C ATOM 762 CE LYS A 48 20.129 14.815 28.548 1.00 0.00 C ATOM 763 NZ LYS A 48 18.950 14.230 27.870 1.00 0.00 N ATOM 0 H LYS A 48 23.848 18.059 29.141 1.00 0.00 H new ATOM 0 HA LYS A 48 25.288 15.697 28.468 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.209 17.292 26.861 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.635 15.615 26.587 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.679 15.169 28.933 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.999 16.781 28.833 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.617 16.146 26.917 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.398 14.580 26.815 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.624 14.058 29.156 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.815 15.610 29.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.291 13.855 28.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.473 14.964 27.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.257 13.459 27.243 1.00 0.00 H new ATOM 777 N GLN A 49 26.779 16.370 26.543 1.00 0.00 N ATOM 778 CA GLN A 49 27.609 16.712 25.404 1.00 0.00 C ATOM 779 C GLN A 49 26.833 16.412 24.122 1.00 0.00 C ATOM 780 O GLN A 49 26.484 15.278 23.823 1.00 0.00 O ATOM 781 CB GLN A 49 28.856 15.820 25.448 1.00 0.00 C ATOM 782 CG GLN A 49 29.581 15.738 26.788 1.00 0.00 C ATOM 783 CD GLN A 49 29.189 14.549 27.657 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.006 14.279 27.837 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.207 13.808 28.096 1.00 0.00 N ATOM 0 H GLN A 49 27.044 15.495 26.996 1.00 0.00 H new ATOM 0 HA GLN A 49 27.887 17.766 25.430 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.566 14.811 25.154 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.561 16.180 24.699 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.654 15.696 26.602 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.390 16.655 27.345 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.167 14.097 27.907 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.026 12.952 28.621 1.00 0.00 H new ATOM 794 N LEU A 50 26.609 17.443 23.310 1.00 0.00 N ATOM 795 CA LEU A 50 25.702 17.318 22.180 1.00 0.00 C ATOM 796 C LEU A 50 26.513 16.909 20.950 1.00 0.00 C ATOM 797 O LEU A 50 27.387 17.657 20.536 1.00 0.00 O ATOM 798 CB LEU A 50 25.118 18.715 21.949 1.00 0.00 C ATOM 799 CG LEU A 50 24.501 19.452 23.136 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.735 20.683 22.636 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.602 18.606 24.035 1.00 0.00 C ATOM 0 H LEU A 50 27.039 18.362 23.414 1.00 0.00 H new ATOM 0 HA LEU A 50 24.921 16.580 22.360 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.912 19.343 21.545 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.353 18.631 21.177 1.00 0.00 H new ATOM 0 HG LEU A 50 25.341 19.739 23.768 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.296 21.207 23.484 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.420 21.350 22.112 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.944 20.368 21.955 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.215 19.223 24.846 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.771 18.212 23.451 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.178 17.779 24.451 1.00 0.00 H new ATOM 813 N GLU A 51 26.115 15.843 20.261 1.00 0.00 N ATOM 814 CA GLU A 51 26.703 15.406 19.008 1.00 0.00 C ATOM 815 C GLU A 51 26.268 16.205 17.781 1.00 0.00 C ATOM 816 O GLU A 51 25.144 16.693 17.653 1.00 0.00 O ATOM 817 CB GLU A 51 26.205 13.969 18.845 1.00 0.00 C ATOM 818 CG GLU A 51 26.929 13.180 17.761 1.00 0.00 C ATOM 819 CD GLU A 51 28.440 13.122 17.943 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.826 12.200 18.699 1.00 0.00 O ATOM 821 OE2 GLU A 51 29.181 13.924 17.344 1.00 0.00 O ATOM 0 H GLU A 51 25.350 15.244 20.573 1.00 0.00 H new ATOM 0 HA GLU A 51 27.785 15.529 19.058 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.316 13.447 19.795 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.140 13.989 18.615 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.536 12.163 17.742 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.707 13.626 16.791 1.00 0.00 H new ATOM 828 N ASP A 52 27.223 16.247 16.854 1.00 0.00 N ATOM 829 CA ASP A 52 27.210 16.860 15.541 1.00 0.00 C ATOM 830 C ASP A 52 26.177 16.162 14.655 1.00 0.00 C ATOM 831 O ASP A 52 26.073 14.941 14.656 1.00 0.00 O ATOM 832 CB ASP A 52 28.607 16.696 14.928 1.00 0.00 C ATOM 833 CG ASP A 52 29.764 17.579 15.380 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.516 18.672 15.924 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.904 17.167 15.071 1.00 0.00 O ATOM 0 H ASP A 52 28.122 15.800 17.032 1.00 0.00 H new ATOM 0 HA ASP A 52 26.949 17.915 15.619 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.910 15.662 15.092 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.503 16.831 13.851 1.00 0.00 H new ATOM 840 N GLY A 53 25.294 16.972 14.086 1.00 0.00 N ATOM 841 CA GLY A 53 24.404 16.380 13.103 1.00 0.00 C ATOM 842 C GLY A 53 23.011 16.025 13.628 1.00 0.00 C ATOM 843 O GLY A 53 22.099 16.065 12.807 1.00 0.00 O ATOM 0 H GLY A 53 25.178 17.969 14.270 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.296 17.072 12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.870 15.476 12.710 1.00 0.00 H new ATOM 847 N ARG A 54 22.839 15.887 14.935 1.00 0.00 N ATOM 848 CA ARG A 54 21.539 15.986 15.570 1.00 0.00 C ATOM 849 C ARG A 54 21.080 17.440 15.600 1.00 0.00 C ATOM 850 O ARG A 54 21.828 18.373 15.329 1.00 0.00 O ATOM 851 CB ARG A 54 21.611 15.474 17.012 1.00 0.00 C ATOM 852 CG ARG A 54 22.085 14.019 17.103 1.00 0.00 C ATOM 853 CD ARG A 54 21.041 12.927 16.938 1.00 0.00 C ATOM 854 NE ARG A 54 21.239 12.307 15.623 1.00 0.00 N ATOM 855 CZ ARG A 54 20.276 12.034 14.743 1.00 0.00 C ATOM 856 NH1 ARG A 54 19.006 12.400 14.962 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.553 11.427 13.583 1.00 0.00 N ATOM 0 H ARG A 54 23.603 15.702 15.585 1.00 0.00 H new ATOM 0 HA ARG A 54 20.835 15.382 14.997 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.288 16.108 17.584 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.627 15.560 17.473 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.852 13.868 16.344 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.564 13.882 18.072 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.139 12.183 17.729 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.037 13.344 17.015 1.00 0.00 H new ATOM 0 HE ARG A 54 22.194 12.064 15.360 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.759 12.899 15.817 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.286 12.180 14.274 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.514 11.166 13.361 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.804 11.226 12.921 1.00 0.00 H new ATOM 871 N THR A 55 19.770 17.659 15.688 1.00 0.00 N ATOM 872 CA THR A 55 19.136 18.964 15.640 1.00 0.00 C ATOM 873 C THR A 55 19.078 19.545 17.051 1.00 0.00 C ATOM 874 O THR A 55 19.429 18.855 18.008 1.00 0.00 O ATOM 875 CB THR A 55 17.752 18.951 14.981 1.00 0.00 C ATOM 876 OG1 THR A 55 16.934 18.172 15.827 1.00 0.00 O ATOM 877 CG2 THR A 55 17.745 18.481 13.522 1.00 0.00 C ATOM 0 H THR A 55 19.099 16.899 15.799 1.00 0.00 H new ATOM 0 HA THR A 55 19.747 19.602 15.001 1.00 0.00 H new ATOM 0 HB THR A 55 17.371 19.968 14.888 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.159 17.225 15.718 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.725 18.504 13.137 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.373 19.141 12.924 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.131 17.463 13.466 1.00 0.00 H new ATOM 885 N LEU A 56 18.516 20.750 17.163 1.00 0.00 N ATOM 886 CA LEU A 56 18.103 21.320 18.433 1.00 0.00 C ATOM 887 C LEU A 56 16.791 20.692 18.898 1.00 0.00 C ATOM 888 O LEU A 56 16.637 20.567 20.107 1.00 0.00 O ATOM 889 CB LEU A 56 18.006 22.835 18.275 1.00 0.00 C ATOM 890 CG LEU A 56 19.118 23.512 17.460 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.907 25.015 17.275 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.560 23.390 17.935 1.00 0.00 C ATOM 0 H LEU A 56 18.336 21.358 16.364 1.00 0.00 H new ATOM 0 HA LEU A 56 18.838 21.103 19.208 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.050 23.069 17.807 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.992 23.281 19.269 1.00 0.00 H new ATOM 0 HG LEU A 56 19.011 22.927 16.547 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.729 25.429 16.691 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.967 25.189 16.752 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.875 25.501 18.250 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.216 23.924 17.248 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.652 23.820 18.932 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.845 22.338 17.965 1.00 0.00 H new ATOM 904 N SER A 57 15.974 20.118 18.011 1.00 0.00 N ATOM 905 CA SER A 57 14.836 19.292 18.366 1.00 0.00 C ATOM 906 C SER A 57 15.117 17.964 19.085 1.00 0.00 C ATOM 907 O SER A 57 14.503 17.551 20.062 1.00 0.00 O ATOM 908 CB SER A 57 13.922 18.954 17.194 1.00 0.00 C ATOM 909 OG SER A 57 12.635 18.542 17.582 1.00 0.00 O ATOM 0 H SER A 57 16.096 20.222 17.004 1.00 0.00 H new ATOM 0 HA SER A 57 14.357 19.965 19.077 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.835 19.828 16.549 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.383 18.164 16.601 1.00 0.00 H new ATOM 0 HG SER A 57 12.101 18.343 16.785 1.00 0.00 H new ATOM 915 N ASP A 58 16.171 17.328 18.579 1.00 0.00 N ATOM 916 CA ASP A 58 16.670 16.041 19.011 1.00 0.00 C ATOM 917 C ASP A 58 16.873 16.049 20.528 1.00 0.00 C ATOM 918 O ASP A 58 16.429 15.187 21.290 1.00 0.00 O ATOM 919 CB ASP A 58 17.956 15.568 18.317 1.00 0.00 C ATOM 920 CG ASP A 58 17.671 15.025 16.929 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.382 13.826 16.790 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.840 15.770 15.934 1.00 0.00 O ATOM 0 H ASP A 58 16.723 17.724 17.818 1.00 0.00 H new ATOM 0 HA ASP A 58 15.905 15.322 18.716 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.659 16.398 18.247 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.433 14.796 18.920 1.00 0.00 H new ATOM 927 N TYR A 59 17.636 17.046 20.963 1.00 0.00 N ATOM 928 CA TYR A 59 18.153 17.218 22.304 1.00 0.00 C ATOM 929 C TYR A 59 17.231 18.121 23.132 1.00 0.00 C ATOM 930 O TYR A 59 17.549 18.373 24.296 1.00 0.00 O ATOM 931 CB TYR A 59 19.548 17.818 22.133 1.00 0.00 C ATOM 932 CG TYR A 59 20.587 16.788 21.716 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.748 15.668 22.539 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.443 16.946 20.629 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.824 14.797 22.384 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.507 16.061 20.432 1.00 0.00 C ATOM 937 CZ TYR A 59 22.687 14.985 21.299 1.00 0.00 C ATOM 938 OH TYR A 59 23.715 14.093 21.169 1.00 0.00 O ATOM 0 H TYR A 59 17.925 17.802 20.342 1.00 0.00 H new ATOM 0 HA TYR A 59 18.203 16.275 22.849 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.508 18.610 21.385 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.857 18.280 23.071 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.020 15.474 23.313 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.284 17.757 19.934 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.989 13.993 23.087 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.189 16.211 19.608 1.00 0.00 H new ATOM 0 HH TYR A 59 23.443 13.225 21.535 1.00 0.00 H new ATOM 948 N ASN A 60 16.096 18.575 22.621 1.00 0.00 N ATOM 949 CA ASN A 60 15.068 19.350 23.286 1.00 0.00 C ATOM 950 C ASN A 60 15.412 20.760 23.779 1.00 0.00 C ATOM 951 O ASN A 60 14.833 21.309 24.708 1.00 0.00 O ATOM 952 CB ASN A 60 14.131 18.612 24.238 1.00 0.00 C ATOM 953 CG ASN A 60 14.770 18.071 25.509 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.029 16.882 25.603 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.943 18.900 26.535 1.00 0.00 N ATOM 0 H ASN A 60 15.854 18.393 21.647 1.00 0.00 H new ATOM 0 HA ASN A 60 14.478 19.532 22.388 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.323 19.288 24.519 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.678 17.780 23.699 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.299 18.545 27.423 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.720 19.890 26.434 1.00 0.00 H new ATOM 962 N ILE A 61 16.358 21.366 23.071 1.00 0.00 N ATOM 963 CA ILE A 61 16.672 22.764 23.242 1.00 0.00 C ATOM 964 C ILE A 61 15.591 23.636 22.594 1.00 0.00 C ATOM 965 O ILE A 61 15.146 23.338 21.491 1.00 0.00 O ATOM 966 CB ILE A 61 18.006 23.011 22.537 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.035 21.961 22.951 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.542 24.411 22.820 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.301 21.977 22.090 1.00 0.00 C ATOM 0 H ILE A 61 16.924 20.895 22.365 1.00 0.00 H new ATOM 0 HA ILE A 61 16.725 23.016 24.301 1.00 0.00 H new ATOM 0 HB ILE A 61 17.828 22.931 21.465 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.311 22.125 23.993 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.578 20.973 22.894 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.491 24.549 22.302 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.825 25.153 22.468 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.693 24.533 23.893 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.988 21.206 22.439 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.037 21.783 21.050 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.781 22.953 22.167 1.00 0.00 H new ATOM 981 N GLN A 62 15.141 24.616 23.382 1.00 0.00 N ATOM 982 CA GLN A 62 13.978 25.439 23.150 1.00 0.00 C ATOM 983 C GLN A 62 14.400 26.914 23.169 1.00 0.00 C ATOM 984 O GLN A 62 15.580 27.193 23.330 1.00 0.00 O ATOM 985 CB GLN A 62 12.944 25.271 24.256 1.00 0.00 C ATOM 986 CG GLN A 62 12.246 23.929 24.449 1.00 0.00 C ATOM 987 CD GLN A 62 11.264 23.817 25.612 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.364 24.510 26.616 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.400 22.802 25.501 1.00 0.00 N ATOM 0 H GLN A 62 15.617 24.861 24.250 1.00 0.00 H new ATOM 0 HA GLN A 62 13.550 25.140 22.193 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.433 25.521 25.198 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.169 26.019 24.091 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.710 23.691 23.530 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.012 23.165 24.578 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.360 22.258 24.639 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.781 22.572 26.278 1.00 0.00 H new ATOM 998 N LYS A 63 13.452 27.812 22.902 1.00 0.00 N ATOM 999 CA LYS A 63 13.616 29.252 22.966 1.00 0.00 C ATOM 1000 C LYS A 63 14.178 29.617 24.340 1.00 0.00 C ATOM 1001 O LYS A 63 13.683 29.152 25.362 1.00 0.00 O ATOM 1002 CB LYS A 63 12.260 29.921 22.785 1.00 0.00 C ATOM 1003 CG LYS A 63 11.140 29.676 23.792 1.00 0.00 C ATOM 1004 CD LYS A 63 9.861 30.414 23.388 1.00 0.00 C ATOM 1005 CE LYS A 63 8.850 30.392 24.534 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.491 30.846 24.191 1.00 0.00 N ATOM 0 H LYS A 63 12.510 27.537 22.624 1.00 0.00 H new ATOM 0 HA LYS A 63 14.294 29.587 22.181 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.433 30.997 22.750 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.883 29.627 21.805 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.939 28.607 23.863 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.457 30.007 24.781 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.097 31.444 23.122 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.428 29.947 22.503 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.787 29.375 24.920 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.230 31.017 25.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.884 30.793 25.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.528 31.829 23.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.100 30.237 23.444 1.00 0.00 H new ATOM 1020 N GLU A 64 15.271 30.368 24.360 1.00 0.00 N ATOM 1021 CA GLU A 64 16.066 30.682 25.534 1.00 0.00 C ATOM 1022 C GLU A 64 16.776 29.569 26.308 1.00 0.00 C ATOM 1023 O GLU A 64 17.270 29.731 27.417 1.00 0.00 O ATOM 1024 CB GLU A 64 15.379 31.536 26.593 1.00 0.00 C ATOM 1025 CG GLU A 64 16.109 32.794 27.080 1.00 0.00 C ATOM 1026 CD GLU A 64 15.213 33.920 27.570 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.133 34.209 27.013 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.532 34.506 28.631 1.00 0.00 O ATOM 0 H GLU A 64 15.644 30.796 23.512 1.00 0.00 H new ATOM 0 HA GLU A 64 16.827 31.228 24.976 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.410 31.842 26.200 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.186 30.904 27.460 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.784 32.512 27.888 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.727 33.173 26.266 1.00 0.00 H new ATOM 1035 N SER A 65 16.928 28.376 25.753 1.00 0.00 N ATOM 1036 CA SER A 65 17.778 27.329 26.278 1.00 0.00 C ATOM 1037 C SER A 65 19.213 27.716 25.917 1.00 0.00 C ATOM 1038 O SER A 65 19.520 28.017 24.766 1.00 0.00 O ATOM 1039 CB SER A 65 17.407 25.962 25.695 1.00 0.00 C ATOM 1040 OG SER A 65 16.122 25.567 26.114 1.00 0.00 O ATOM 0 H SER A 65 16.445 28.106 24.896 1.00 0.00 H new ATOM 0 HA SER A 65 17.658 27.236 27.357 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.441 26.005 24.606 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.140 25.218 26.007 1.00 0.00 H new ATOM 0 HG SER A 65 16.080 24.589 26.162 1.00 0.00 H new ATOM 1046 N THR A 66 20.032 27.805 26.970 1.00 0.00 N ATOM 1047 CA THR A 66 21.435 28.133 26.995 1.00 0.00 C ATOM 1048 C THR A 66 22.239 26.846 26.793 1.00 0.00 C ATOM 1049 O THR A 66 21.958 25.813 27.396 1.00 0.00 O ATOM 1050 CB THR A 66 21.842 28.786 28.316 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.063 29.949 28.433 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.310 29.238 28.251 1.00 0.00 C ATOM 0 H THR A 66 19.680 27.629 27.911 1.00 0.00 H new ATOM 0 HA THR A 66 21.638 28.848 26.198 1.00 0.00 H new ATOM 0 HB THR A 66 21.707 28.088 29.143 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.285 30.408 29.270 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.590 29.702 29.197 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.949 28.374 28.067 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.433 29.959 27.443 1.00 0.00 H new ATOM 1060 N LEU A 67 23.169 26.906 25.845 1.00 0.00 N ATOM 1061 CA LEU A 67 24.280 26.000 25.640 1.00 0.00 C ATOM 1062 C LEU A 67 25.558 26.631 26.195 1.00 0.00 C ATOM 1063 O LEU A 67 25.874 27.780 25.911 1.00 0.00 O ATOM 1064 CB LEU A 67 24.467 25.817 24.136 1.00 0.00 C ATOM 1065 CG LEU A 67 23.390 25.006 23.402 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.887 23.750 24.111 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.247 25.846 22.830 1.00 0.00 C ATOM 0 H LEU A 67 23.159 27.651 25.148 1.00 0.00 H new ATOM 0 HA LEU A 67 24.083 25.050 26.137 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.522 26.804 23.677 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.430 25.334 23.969 1.00 0.00 H new ATOM 0 HG LEU A 67 23.952 24.623 22.550 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.130 23.263 23.496 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.719 23.065 24.272 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.452 24.024 25.072 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.532 25.194 22.329 1.00 0.00 H new ATOM 0 HD22 LEU A 67 21.747 26.379 23.639 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.646 26.565 22.114 1.00 0.00 H new ATOM 1079 N HIS A 68 26.370 25.898 26.945 1.00 0.00 N ATOM 1080 CA HIS A 68 27.743 26.202 27.298 1.00 0.00 C ATOM 1081 C HIS A 68 28.547 25.647 26.121 1.00 0.00 C ATOM 1082 O HIS A 68 28.140 24.716 25.438 1.00 0.00 O ATOM 1083 CB HIS A 68 28.286 25.509 28.546 1.00 0.00 C ATOM 1084 CG HIS A 68 29.675 25.820 29.051 1.00 0.00 C ATOM 1085 ND1 HIS A 68 30.274 27.066 28.938 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.590 24.963 29.589 1.00 0.00 C ATOM 1087 CE1 HIS A 68 31.492 26.920 29.470 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.685 25.708 30.000 1.00 0.00 N ATOM 0 H HIS A 68 26.061 25.014 27.349 1.00 0.00 H new ATOM 0 HA HIS A 68 27.812 27.271 27.502 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.593 25.721 29.360 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.243 24.435 28.363 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.481 23.892 29.679 1.00 0.00 H new ATOM 0 HE1 HIS A 68 32.240 27.699 29.471 1.00 0.00 H new ATOM 0 HE2 HIS A 68 32.466 25.399 30.579 1.00 0.00 H new ATOM 1096 N LEU A 69 29.703 26.267 25.866 1.00 0.00 N ATOM 1097 CA LEU A 69 30.605 26.046 24.752 1.00 0.00 C ATOM 1098 C LEU A 69 32.044 25.963 25.259 1.00 0.00 C ATOM 1099 O LEU A 69 32.564 26.880 25.897 1.00 0.00 O ATOM 1100 CB LEU A 69 30.395 27.082 23.651 1.00 0.00 C ATOM 1101 CG LEU A 69 31.528 27.344 22.664 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.776 26.107 21.802 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.203 28.481 21.702 1.00 0.00 C ATOM 0 H LEU A 69 30.053 26.994 26.490 1.00 0.00 H new ATOM 0 HA LEU A 69 30.380 25.087 24.285 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.520 26.780 23.076 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.150 28.029 24.131 1.00 0.00 H new ATOM 0 HG LEU A 69 32.399 27.603 23.266 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.587 26.308 21.102 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.048 25.267 22.441 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.870 25.863 21.247 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.039 28.630 21.019 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.309 28.230 21.131 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.028 29.397 22.267 1.00 0.00 H new ATOM 1115 N VAL A 70 32.619 24.766 25.139 1.00 0.00 N ATOM 1116 CA VAL A 70 33.946 24.366 25.553 1.00 0.00 C ATOM 1117 C VAL A 70 34.801 23.976 24.347 1.00 0.00 C ATOM 1118 O VAL A 70 34.380 24.159 23.200 1.00 0.00 O ATOM 1119 CB VAL A 70 33.747 23.284 26.599 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.057 23.733 27.888 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.241 21.958 26.031 1.00 0.00 C ATOM 0 H VAL A 70 32.115 23.990 24.710 1.00 0.00 H new ATOM 0 HA VAL A 70 34.519 25.176 26.005 1.00 0.00 H new ATOM 0 HB VAL A 70 34.760 23.068 26.938 1.00 0.00 H new ATOM 0 HG11 VAL A 70 32.965 22.884 28.566 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.649 24.515 28.364 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.065 24.120 27.654 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.124 21.237 26.840 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.279 22.115 25.543 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.958 21.576 25.305 1.00 0.00 H new ATOM 1131 N LEU A 71 36.046 23.529 24.504 1.00 0.00 N ATOM 1132 CA LEU A 71 36.968 23.187 23.445 1.00 0.00 C ATOM 1133 C LEU A 71 36.783 21.724 23.018 1.00 0.00 C ATOM 1134 O LEU A 71 36.492 20.971 23.945 1.00 0.00 O ATOM 1135 CB LEU A 71 38.440 23.302 23.804 1.00 0.00 C ATOM 1136 CG LEU A 71 38.843 24.725 24.211 1.00 0.00 C ATOM 1137 CD1 LEU A 71 40.308 24.692 24.642 1.00 0.00 C ATOM 1138 CD2 LEU A 71 38.633 25.762 23.100 1.00 0.00 C ATOM 0 H LEU A 71 36.452 23.391 25.429 1.00 0.00 H new ATOM 0 HA LEU A 71 36.731 23.910 22.665 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.664 22.618 24.622 1.00 0.00 H new ATOM 0 HB3 LEU A 71 39.043 22.988 22.952 1.00 0.00 H new ATOM 0 HG LEU A 71 38.196 25.041 25.029 1.00 0.00 H new ATOM 0 HD11 LEU A 71 40.623 25.693 24.938 1.00 0.00 H new ATOM 0 HD12 LEU A 71 40.424 24.011 25.485 1.00 0.00 H new ATOM 0 HD13 LEU A 71 40.924 24.348 23.811 1.00 0.00 H new ATOM 0 HD21 LEU A 71 38.939 26.745 23.458 1.00 0.00 H new ATOM 0 HD22 LEU A 71 39.231 25.490 22.230 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.579 25.789 22.822 1.00 0.00 H new ATOM 1150 N ARG A 72 36.818 21.377 21.738 1.00 0.00 N ATOM 1151 CA ARG A 72 36.759 19.975 21.351 1.00 0.00 C ATOM 1152 C ARG A 72 38.144 19.356 21.607 1.00 0.00 C ATOM 1153 O ARG A 72 39.090 19.802 20.981 1.00 0.00 O ATOM 1154 CB ARG A 72 36.315 19.958 19.891 1.00 0.00 C ATOM 1155 CG ARG A 72 36.034 18.580 19.302 1.00 0.00 C ATOM 1156 CD ARG A 72 35.322 18.670 17.953 1.00 0.00 C ATOM 1157 NE ARG A 72 35.073 17.345 17.389 1.00 0.00 N ATOM 1158 CZ ARG A 72 33.957 16.914 16.803 1.00 0.00 C ATOM 1159 NH1 ARG A 72 32.915 17.728 16.597 1.00 0.00 N ATOM 1160 NH2 ARG A 72 33.913 15.620 16.443 1.00 0.00 N ATOM 0 H ARG A 72 36.886 22.035 20.962 1.00 0.00 H new ATOM 0 HA ARG A 72 36.050 19.376 21.923 1.00 0.00 H new ATOM 0 HB2 ARG A 72 35.414 20.564 19.797 1.00 0.00 H new ATOM 0 HB3 ARG A 72 37.086 20.439 19.290 1.00 0.00 H new ATOM 0 HG2 ARG A 72 36.972 18.039 19.182 1.00 0.00 H new ATOM 0 HG3 ARG A 72 35.422 18.006 19.998 1.00 0.00 H new ATOM 0 HD2 ARG A 72 34.376 19.199 18.074 1.00 0.00 H new ATOM 0 HD3 ARG A 72 35.927 19.254 17.259 1.00 0.00 H new ATOM 0 HE ARG A 72 35.840 16.675 17.451 1.00 0.00 H new ATOM 0 HH11 ARG A 72 32.964 18.703 16.891 1.00 0.00 H new ATOM 0 HH12 ARG A 72 32.072 17.373 16.146 1.00 0.00 H new ATOM 0 HH21 ARG A 72 34.713 15.013 16.622 1.00 0.00 H new ATOM 0 HH22 ARG A 72 33.079 15.244 15.991 1.00 0.00 H new ATOM 1174 N LEU A 73 38.245 18.273 22.379 1.00 0.00 N ATOM 1175 CA LEU A 73 39.527 17.721 22.763 1.00 0.00 C ATOM 1176 C LEU A 73 39.629 16.227 22.420 1.00 0.00 C ATOM 1177 O LEU A 73 39.162 15.343 23.140 1.00 0.00 O ATOM 1178 CB LEU A 73 39.692 18.039 24.242 1.00 0.00 C ATOM 1179 CG LEU A 73 39.854 19.522 24.599 1.00 0.00 C ATOM 1180 CD1 LEU A 73 39.997 19.451 26.118 1.00 0.00 C ATOM 1181 CD2 LEU A 73 41.138 20.152 24.052 1.00 0.00 C ATOM 0 H LEU A 73 37.442 17.764 22.749 1.00 0.00 H new ATOM 0 HA LEU A 73 40.351 18.164 22.203 1.00 0.00 H new ATOM 0 HB2 LEU A 73 38.824 17.650 24.775 1.00 0.00 H new ATOM 0 HB3 LEU A 73 40.563 17.499 24.614 1.00 0.00 H new ATOM 0 HG LEU A 73 39.035 20.119 24.198 1.00 0.00 H new ATOM 0 HD11 LEU A 73 40.122 20.457 26.519 1.00 0.00 H new ATOM 0 HD12 LEU A 73 39.103 18.998 26.547 1.00 0.00 H new ATOM 0 HD13 LEU A 73 40.868 18.847 26.374 1.00 0.00 H new ATOM 0 HD21 LEU A 73 41.182 21.201 24.345 1.00 0.00 H new ATOM 0 HD22 LEU A 73 42.003 19.626 24.457 1.00 0.00 H new ATOM 0 HD23 LEU A 73 41.145 20.079 22.965 1.00 0.00 H new ATOM 1193 N ARG A 74 40.149 15.987 21.223 1.00 0.00 N ATOM 1194 CA ARG A 74 40.306 14.707 20.564 1.00 0.00 C ATOM 1195 C ARG A 74 39.038 14.377 19.774 1.00 0.00 C ATOM 1196 O ARG A 74 38.995 14.538 18.556 1.00 0.00 O ATOM 1197 CB ARG A 74 40.742 13.547 21.471 1.00 0.00 C ATOM 1198 CG ARG A 74 41.287 12.394 20.629 1.00 0.00 C ATOM 1199 CD ARG A 74 41.614 11.151 21.465 1.00 0.00 C ATOM 1200 NE ARG A 74 42.043 10.068 20.591 1.00 0.00 N ATOM 1201 CZ ARG A 74 41.787 8.744 20.658 1.00 0.00 C ATOM 1202 NH1 ARG A 74 41.158 8.196 21.708 1.00 0.00 N ATOM 1203 NH2 ARG A 74 42.120 8.080 19.549 1.00 0.00 N ATOM 0 H ARG A 74 40.500 16.750 20.644 1.00 0.00 H new ATOM 0 HA ARG A 74 41.148 14.819 19.881 1.00 0.00 H new ATOM 0 HB2 ARG A 74 41.506 13.889 22.170 1.00 0.00 H new ATOM 0 HB3 ARG A 74 39.896 13.204 22.067 1.00 0.00 H new ATOM 0 HG2 ARG A 74 40.555 12.130 19.865 1.00 0.00 H new ATOM 0 HG3 ARG A 74 42.186 12.723 20.109 1.00 0.00 H new ATOM 0 HD2 ARG A 74 42.399 11.382 22.185 1.00 0.00 H new ATOM 0 HD3 ARG A 74 40.738 10.844 22.036 1.00 0.00 H new ATOM 0 HE ARG A 74 42.628 10.354 19.806 1.00 0.00 H new ATOM 0 HH11 ARG A 74 40.858 8.783 22.486 1.00 0.00 H new ATOM 0 HH12 ARG A 74 40.979 7.192 21.728 1.00 0.00 H new ATOM 0 HH21 ARG A 74 42.526 8.580 18.758 1.00 0.00 H new ATOM 0 HH22 ARG A 74 41.969 7.073 19.493 1.00 0.00 H new ATOM 1217 N GLY A 75 37.989 13.990 20.487 1.00 0.00 N ATOM 1218 CA GLY A 75 36.735 13.582 19.885 1.00 0.00 C ATOM 1219 C GLY A 75 35.555 14.423 20.384 1.00 0.00 C ATOM 1220 O GLY A 75 35.772 15.351 21.166 1.00 0.00 O ATOM 0 H GLY A 75 37.988 13.951 21.506 1.00 0.00 H new ATOM 0 HA2 GLY A 75 36.809 13.669 18.801 1.00 0.00 H new ATOM 0 HA3 GLY A 75 36.551 12.531 20.109 1.00 0.00 H new ATOM 1224 N GLY A 76 34.352 14.119 19.900 1.00 0.00 N ATOM 1225 CA GLY A 76 33.174 14.761 20.449 1.00 0.00 C ATOM 1226 C GLY A 76 32.386 13.760 21.286 1.00 0.00 C ATOM 1227 O GLY A 76 32.570 12.547 21.072 1.00 0.00 O ATOM 1228 OXT GLY A 76 31.569 14.121 22.161 1.00 0.00 O ATOM 0 H GLY A 76 34.176 13.451 19.150 1.00 0.00 H new ATOM 0 HA2 GLY A 76 33.465 15.613 21.063 1.00 0.00 H new ATOM 0 HA3 GLY A 76 32.550 15.147 19.643 1.00 0.00 H new TER 1232 GLY A 76