USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot -91:sc= 1.27 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 1 MET CE :methyl -121:sc= -0.137 (180deg=-0.577) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.28 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= 0.138 K(o=0.14,f=-4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= 0.0662 (180deg=2.22e-05) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -66:sc= 1.35 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.08 K(o=1.1,f=-0.37) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 2.06 (180deg=1.76) USER MOD Single : A 29 LYS NZ :NH3+ -128:sc= 1.15 (180deg=-0.951!) USER MOD Single : A 31 GLN : amide:sc= -0.0268 K(o=-0.027,f=-0.92) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.39) USER MOD Single : A 41 GLN : amide:sc= -0.62 K(o=-0.62,f=-4.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -160:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.00426 USER MOD Single : A 60 ASN : amide:sc= -0.0398 X(o=-0.04,f=-0.2) USER MOD Single : A 62 GLN : amide:sc= -0.39 K(o=-0.39,f=-2.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 76:sc= 0.803 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.544 30.958 15.686 1.00 0.00 N ATOM 2 CA MET A 1 14.285 30.758 17.125 1.00 0.00 C ATOM 3 C MET A 1 15.540 31.241 17.855 1.00 0.00 C ATOM 4 O MET A 1 16.613 30.945 17.326 1.00 0.00 O ATOM 5 CB MET A 1 13.972 29.308 17.466 1.00 0.00 C ATOM 6 CG MET A 1 13.621 28.954 18.913 1.00 0.00 C ATOM 7 SD MET A 1 13.238 27.184 19.021 1.00 0.00 S ATOM 8 CE MET A 1 14.953 26.620 19.008 1.00 0.00 C ATOM 0 H1 MET A 1 13.641 31.076 15.184 1.00 0.00 H new ATOM 0 H2 MET A 1 15.128 31.808 15.553 1.00 0.00 H new ATOM 0 H3 MET A 1 15.046 30.131 15.305 1.00 0.00 H new ATOM 0 HA MET A 1 13.402 31.319 17.431 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.140 28.993 16.837 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.835 28.707 17.178 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.454 29.198 19.572 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.767 29.544 19.247 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.111 25.956 18.158 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.618 27.480 18.925 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.167 26.084 19.932 1.00 0.00 H new ATOM 20 N GLN A 2 15.430 31.896 19.012 1.00 0.00 N ATOM 21 CA GLN A 2 16.601 32.451 19.662 1.00 0.00 C ATOM 22 C GLN A 2 17.024 31.421 20.708 1.00 0.00 C ATOM 23 O GLN A 2 16.245 30.905 21.514 1.00 0.00 O ATOM 24 CB GLN A 2 16.153 33.682 20.450 1.00 0.00 C ATOM 25 CG GLN A 2 15.482 34.784 19.630 1.00 0.00 C ATOM 26 CD GLN A 2 13.981 34.807 19.428 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.279 33.810 19.604 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.379 35.972 19.174 1.00 0.00 N ATOM 0 H GLN A 2 14.551 32.050 19.507 1.00 0.00 H new ATOM 0 HA GLN A 2 17.386 32.691 18.945 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.461 33.361 21.228 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.023 34.106 20.952 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.756 35.734 20.089 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.936 34.765 18.639 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.937 36.813 19.024 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.361 36.021 19.130 1.00 0.00 H new ATOM 37 N ILE A 3 18.292 31.044 20.773 1.00 0.00 N ATOM 38 CA ILE A 3 18.971 30.439 21.903 1.00 0.00 C ATOM 39 C ILE A 3 20.020 31.457 22.344 1.00 0.00 C ATOM 40 O ILE A 3 20.219 32.491 21.701 1.00 0.00 O ATOM 41 CB ILE A 3 19.553 29.059 21.590 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.768 29.154 20.670 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.553 28.071 20.996 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.459 27.842 20.276 1.00 0.00 C ATOM 0 H ILE A 3 18.918 31.163 19.976 1.00 0.00 H new ATOM 0 HA ILE A 3 18.273 30.227 22.713 1.00 0.00 H new ATOM 0 HB ILE A 3 19.850 28.667 22.563 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.459 29.660 19.755 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.508 29.792 21.153 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.050 27.120 20.805 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.733 27.917 21.697 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.160 28.469 20.060 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.304 28.058 19.622 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.815 27.335 21.173 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.750 27.200 19.753 1.00 0.00 H new ATOM 56 N PHE A 4 20.770 31.187 23.403 1.00 0.00 N ATOM 57 CA PHE A 4 21.876 31.894 24.011 1.00 0.00 C ATOM 58 C PHE A 4 23.048 30.928 24.155 1.00 0.00 C ATOM 59 O PHE A 4 22.862 29.753 24.478 1.00 0.00 O ATOM 60 CB PHE A 4 21.403 32.455 25.350 1.00 0.00 C ATOM 61 CG PHE A 4 20.702 33.787 25.221 1.00 0.00 C ATOM 62 CD1 PHE A 4 19.333 33.845 24.929 1.00 0.00 C ATOM 63 CD2 PHE A 4 21.404 34.968 25.472 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.709 35.093 25.015 1.00 0.00 C ATOM 65 CE2 PHE A 4 20.800 36.221 25.343 1.00 0.00 C ATOM 66 CZ PHE A 4 19.410 36.291 25.200 1.00 0.00 C ATOM 0 H PHE A 4 20.581 30.335 23.930 1.00 0.00 H new ATOM 0 HA PHE A 4 22.215 32.730 23.400 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.727 31.740 25.818 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.260 32.565 26.014 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.781 32.960 24.648 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.440 34.911 25.773 1.00 0.00 H new ATOM 0 HE1 PHE A 4 17.633 35.135 24.935 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.396 37.121 25.353 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.894 37.239 25.231 1.00 0.00 H new ATOM 76 N VAL A 5 24.220 31.496 23.914 1.00 0.00 N ATOM 77 CA VAL A 5 25.502 30.805 23.944 1.00 0.00 C ATOM 78 C VAL A 5 26.301 31.586 24.986 1.00 0.00 C ATOM 79 O VAL A 5 26.742 32.712 24.733 1.00 0.00 O ATOM 80 CB VAL A 5 26.128 30.687 22.546 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.465 29.949 22.491 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.119 30.178 21.518 1.00 0.00 C ATOM 0 H VAL A 5 24.309 32.486 23.684 1.00 0.00 H new ATOM 0 HA VAL A 5 25.444 29.755 24.231 1.00 0.00 H new ATOM 0 HB VAL A 5 26.394 31.707 22.269 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.822 29.920 21.462 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.193 30.469 23.114 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.334 28.931 22.859 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.598 30.108 20.542 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.760 29.194 21.818 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.278 30.869 21.460 1.00 0.00 H new ATOM 92 N LYS A 6 26.538 31.086 26.192 1.00 0.00 N ATOM 93 CA LYS A 6 27.497 31.616 27.135 1.00 0.00 C ATOM 94 C LYS A 6 28.801 30.889 26.804 1.00 0.00 C ATOM 95 O LYS A 6 28.898 29.873 26.114 1.00 0.00 O ATOM 96 CB LYS A 6 26.909 31.292 28.519 1.00 0.00 C ATOM 97 CG LYS A 6 25.564 31.981 28.727 1.00 0.00 C ATOM 98 CD LYS A 6 24.976 31.958 30.131 1.00 0.00 C ATOM 99 CE LYS A 6 25.296 33.188 30.995 1.00 0.00 C ATOM 100 NZ LYS A 6 24.422 33.202 32.181 1.00 0.00 N ATOM 0 H LYS A 6 26.044 30.267 26.548 1.00 0.00 H new ATOM 0 HA LYS A 6 27.693 32.688 27.103 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.787 30.214 28.621 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.606 31.609 29.295 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.668 33.022 28.422 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.842 31.522 28.052 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.893 31.861 30.053 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.339 31.068 30.645 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.342 33.167 31.302 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.153 34.099 30.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.641 34.035 32.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.428 33.242 31.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.580 32.339 32.739 1.00 0.00 H new ATOM 114 N THR A 7 29.812 31.501 27.408 1.00 0.00 N ATOM 115 CA THR A 7 31.202 31.085 27.417 1.00 0.00 C ATOM 116 C THR A 7 31.573 31.059 28.905 1.00 0.00 C ATOM 117 O THR A 7 31.012 31.808 29.705 1.00 0.00 O ATOM 118 CB THR A 7 32.047 31.954 26.484 1.00 0.00 C ATOM 119 OG1 THR A 7 31.942 33.312 26.864 1.00 0.00 O ATOM 120 CG2 THR A 7 31.573 31.943 25.030 1.00 0.00 C ATOM 0 H THR A 7 29.669 32.359 27.940 1.00 0.00 H new ATOM 0 HA THR A 7 31.395 30.097 27.000 1.00 0.00 H new ATOM 0 HB THR A 7 33.053 31.541 26.561 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.201 33.731 26.378 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.222 32.582 24.431 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.609 30.925 24.643 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.550 32.315 24.978 1.00 0.00 H new ATOM 128 N LEU A 8 32.494 30.139 29.156 1.00 0.00 N ATOM 129 CA LEU A 8 33.080 29.989 30.465 1.00 0.00 C ATOM 130 C LEU A 8 34.149 31.046 30.756 1.00 0.00 C ATOM 131 O LEU A 8 34.756 31.090 31.820 1.00 0.00 O ATOM 132 CB LEU A 8 33.665 28.599 30.723 1.00 0.00 C ATOM 133 CG LEU A 8 32.711 27.405 30.685 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.462 26.103 30.950 1.00 0.00 C ATOM 135 CD2 LEU A 8 31.477 27.491 31.595 1.00 0.00 C ATOM 0 H LEU A 8 32.849 29.484 28.459 1.00 0.00 H new ATOM 0 HA LEU A 8 32.242 30.131 31.148 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.450 28.424 29.987 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.144 28.614 31.702 1.00 0.00 H new ATOM 0 HG LEU A 8 32.311 27.426 29.671 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.763 25.267 30.918 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.229 25.964 30.188 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.931 26.147 31.933 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.877 26.588 31.481 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.796 27.586 32.633 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.880 28.360 31.318 1.00 0.00 H new ATOM 147 N THR A 9 34.349 31.950 29.790 1.00 0.00 N ATOM 148 CA THR A 9 35.091 33.189 29.879 1.00 0.00 C ATOM 149 C THR A 9 34.267 34.479 29.998 1.00 0.00 C ATOM 150 O THR A 9 34.709 35.496 30.523 1.00 0.00 O ATOM 151 CB THR A 9 35.937 33.428 28.634 1.00 0.00 C ATOM 152 OG1 THR A 9 35.137 33.229 27.491 1.00 0.00 O ATOM 153 CG2 THR A 9 37.026 32.386 28.389 1.00 0.00 C ATOM 0 H THR A 9 33.961 31.812 28.857 1.00 0.00 H new ATOM 0 HA THR A 9 35.657 33.028 30.796 1.00 0.00 H new ATOM 0 HB THR A 9 36.353 34.423 28.791 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.674 33.383 26.685 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.575 32.640 27.482 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.712 32.371 29.236 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.570 31.403 28.274 1.00 0.00 H new ATOM 161 N GLY A 10 32.998 34.486 29.597 1.00 0.00 N ATOM 162 CA GLY A 10 31.920 35.341 30.059 1.00 0.00 C ATOM 163 C GLY A 10 31.425 36.240 28.937 1.00 0.00 C ATOM 164 O GLY A 10 30.604 37.082 29.306 1.00 0.00 O ATOM 0 H GLY A 10 32.676 33.837 28.880 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.098 34.729 30.430 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.266 35.951 30.894 1.00 0.00 H new ATOM 168 N LYS A 11 31.747 36.055 27.651 1.00 0.00 N ATOM 169 CA LYS A 11 30.919 36.530 26.557 1.00 0.00 C ATOM 170 C LYS A 11 29.635 35.719 26.398 1.00 0.00 C ATOM 171 O LYS A 11 29.612 34.490 26.303 1.00 0.00 O ATOM 172 CB LYS A 11 31.745 36.689 25.275 1.00 0.00 C ATOM 173 CG LYS A 11 31.110 37.587 24.214 1.00 0.00 C ATOM 174 CD LYS A 11 32.144 38.203 23.270 1.00 0.00 C ATOM 175 CE LYS A 11 31.400 38.897 22.132 1.00 0.00 C ATOM 176 NZ LYS A 11 32.327 39.435 21.126 1.00 0.00 N ATOM 0 H LYS A 11 32.592 35.570 27.349 1.00 0.00 H new ATOM 0 HA LYS A 11 30.564 37.530 26.805 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.723 37.094 25.537 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.914 35.703 24.843 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.394 37.006 23.633 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.551 38.384 24.705 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.770 38.917 23.806 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.806 37.432 22.876 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.719 38.190 21.658 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.791 39.706 22.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.881 40.237 20.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.198 39.757 21.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.559 38.693 20.435 1.00 0.00 H new ATOM 190 N THR A 12 28.535 36.439 26.286 1.00 0.00 N ATOM 191 CA THR A 12 27.213 35.922 25.977 1.00 0.00 C ATOM 192 C THR A 12 26.910 36.371 24.545 1.00 0.00 C ATOM 193 O THR A 12 27.031 37.536 24.184 1.00 0.00 O ATOM 194 CB THR A 12 26.122 36.408 26.918 1.00 0.00 C ATOM 195 OG1 THR A 12 26.420 36.092 28.259 1.00 0.00 O ATOM 196 CG2 THR A 12 24.764 35.884 26.440 1.00 0.00 C ATOM 0 H THR A 12 28.538 37.451 26.414 1.00 0.00 H new ATOM 0 HA THR A 12 27.219 34.838 26.093 1.00 0.00 H new ATOM 0 HB THR A 12 26.070 37.496 26.893 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.701 36.419 28.840 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.982 36.232 27.114 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.566 36.252 25.433 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.777 34.794 26.432 1.00 0.00 H new ATOM 204 N ILE A 13 26.424 35.451 23.715 1.00 0.00 N ATOM 205 CA ILE A 13 25.828 35.620 22.400 1.00 0.00 C ATOM 206 C ILE A 13 24.361 35.180 22.518 1.00 0.00 C ATOM 207 O ILE A 13 24.011 34.358 23.361 1.00 0.00 O ATOM 208 CB ILE A 13 26.626 34.773 21.398 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.041 35.291 21.173 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.025 34.499 20.021 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.042 34.255 20.686 1.00 0.00 C ATOM 0 H ILE A 13 26.442 34.466 23.979 1.00 0.00 H new ATOM 0 HA ILE A 13 25.855 36.650 22.045 1.00 0.00 H new ATOM 0 HB ILE A 13 26.605 33.821 21.928 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.002 36.104 20.447 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.408 35.716 22.108 1.00 0.00 H new ATOM 0 HG21 ILE A 13 26.714 33.888 19.438 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.079 33.970 20.136 1.00 0.00 H new ATOM 0 HG23 ILE A 13 25.852 35.443 19.505 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.017 34.724 20.557 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.120 33.452 21.419 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.707 33.846 19.733 1.00 0.00 H new ATOM 223 N THR A 14 23.531 35.905 21.774 1.00 0.00 N ATOM 224 CA THR A 14 22.173 35.517 21.453 1.00 0.00 C ATOM 225 C THR A 14 22.409 35.167 19.982 1.00 0.00 C ATOM 226 O THR A 14 23.050 35.921 19.259 1.00 0.00 O ATOM 227 CB THR A 14 21.247 36.735 21.397 1.00 0.00 C ATOM 228 OG1 THR A 14 21.380 37.476 22.583 1.00 0.00 O ATOM 229 CG2 THR A 14 19.797 36.263 21.266 1.00 0.00 C ATOM 0 H THR A 14 23.798 36.803 21.369 1.00 0.00 H new ATOM 0 HA THR A 14 21.745 34.783 22.136 1.00 0.00 H new ATOM 0 HB THR A 14 21.514 37.355 20.541 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.047 36.947 23.338 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.135 37.128 21.226 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.686 35.678 20.353 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.536 35.646 22.126 1.00 0.00 H new ATOM 237 N LEU A 15 21.926 33.987 19.610 1.00 0.00 N ATOM 238 CA LEU A 15 22.013 33.445 18.270 1.00 0.00 C ATOM 239 C LEU A 15 20.656 32.939 17.778 1.00 0.00 C ATOM 240 O LEU A 15 19.892 32.450 18.612 1.00 0.00 O ATOM 241 CB LEU A 15 23.016 32.283 18.337 1.00 0.00 C ATOM 242 CG LEU A 15 23.669 31.857 17.028 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.921 32.562 16.512 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.047 30.377 16.994 1.00 0.00 C ATOM 0 H LEU A 15 21.447 33.364 20.260 1.00 0.00 H new ATOM 0 HA LEU A 15 22.332 34.217 17.569 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.806 32.557 19.036 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.504 31.417 18.758 1.00 0.00 H new ATOM 0 HG LEU A 15 22.842 32.151 16.382 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.229 32.112 15.568 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.705 33.619 16.357 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.724 32.459 17.242 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.507 30.141 16.034 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.752 30.163 17.797 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.152 29.770 17.126 1.00 0.00 H new ATOM 256 N GLU A 16 20.270 33.178 16.522 1.00 0.00 N ATOM 257 CA GLU A 16 18.956 32.870 15.995 1.00 0.00 C ATOM 258 C GLU A 16 19.203 31.557 15.235 1.00 0.00 C ATOM 259 O GLU A 16 20.013 31.495 14.307 1.00 0.00 O ATOM 260 CB GLU A 16 18.515 33.982 15.043 1.00 0.00 C ATOM 261 CG GLU A 16 17.824 35.117 15.804 1.00 0.00 C ATOM 262 CD GLU A 16 18.486 36.469 15.619 1.00 0.00 C ATOM 263 OE1 GLU A 16 19.475 36.581 14.857 1.00 0.00 O ATOM 264 OE2 GLU A 16 17.990 37.501 16.112 1.00 0.00 O ATOM 0 H GLU A 16 20.888 33.604 15.831 1.00 0.00 H new ATOM 0 HA GLU A 16 18.175 32.784 16.750 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.381 34.373 14.509 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.835 33.576 14.294 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.787 35.183 15.476 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.808 34.873 16.866 1.00 0.00 H new ATOM 271 N VAL A 17 18.543 30.480 15.651 1.00 0.00 N ATOM 272 CA VAL A 17 18.743 29.166 15.080 1.00 0.00 C ATOM 273 C VAL A 17 17.417 28.645 14.513 1.00 0.00 C ATOM 274 O VAL A 17 16.342 29.200 14.729 1.00 0.00 O ATOM 275 CB VAL A 17 19.540 28.254 16.003 1.00 0.00 C ATOM 276 CG1 VAL A 17 21.001 28.697 16.142 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.879 28.142 17.383 1.00 0.00 C ATOM 0 H VAL A 17 17.851 30.502 16.400 1.00 0.00 H new ATOM 0 HA VAL A 17 19.402 29.208 14.213 1.00 0.00 H new ATOM 0 HB VAL A 17 19.541 27.268 15.538 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.526 28.014 16.810 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.479 28.686 15.163 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.038 29.706 16.552 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.472 27.484 18.018 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.820 29.130 17.839 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.875 27.732 17.273 1.00 0.00 H new ATOM 287 N GLU A 18 17.608 27.665 13.643 1.00 0.00 N ATOM 288 CA GLU A 18 16.472 26.951 13.105 1.00 0.00 C ATOM 289 C GLU A 18 16.176 25.647 13.841 1.00 0.00 C ATOM 290 O GLU A 18 17.176 24.948 14.016 1.00 0.00 O ATOM 291 CB GLU A 18 16.901 26.731 11.645 1.00 0.00 C ATOM 292 CG GLU A 18 15.857 26.247 10.638 1.00 0.00 C ATOM 293 CD GLU A 18 14.709 27.227 10.464 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.826 28.446 10.690 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.589 26.773 10.131 1.00 0.00 O ATOM 0 H GLU A 18 18.518 27.355 13.304 1.00 0.00 H new ATOM 0 HA GLU A 18 15.533 27.494 13.208 1.00 0.00 H new ATOM 0 HB2 GLU A 18 17.306 27.672 11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.719 26.010 11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.338 26.083 9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.462 25.285 10.965 1.00 0.00 H new ATOM 302 N PRO A 19 14.953 25.187 14.113 1.00 0.00 N ATOM 303 CA PRO A 19 14.497 23.907 14.603 1.00 0.00 C ATOM 304 C PRO A 19 15.228 22.811 13.830 1.00 0.00 C ATOM 305 O PRO A 19 15.529 21.786 14.443 1.00 0.00 O ATOM 306 CB PRO A 19 12.983 23.849 14.458 1.00 0.00 C ATOM 307 CG PRO A 19 12.515 25.315 14.491 1.00 0.00 C ATOM 308 CD PRO A 19 13.742 25.948 13.831 1.00 0.00 C ATOM 0 HA PRO A 19 14.722 23.760 15.659 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.696 23.365 13.524 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.532 23.274 15.267 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.597 25.481 13.928 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.339 25.682 15.502 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.589 26.003 12.753 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.862 26.971 14.189 1.00 0.00 H new ATOM 316 N SER A 20 15.216 22.892 12.498 1.00 0.00 N ATOM 317 CA SER A 20 15.827 21.963 11.568 1.00 0.00 C ATOM 318 C SER A 20 17.343 21.859 11.769 1.00 0.00 C ATOM 319 O SER A 20 17.931 21.008 11.108 1.00 0.00 O ATOM 320 CB SER A 20 15.423 22.263 10.121 1.00 0.00 C ATOM 321 OG SER A 20 14.164 21.667 9.910 1.00 0.00 O ATOM 0 H SER A 20 14.747 23.660 12.018 1.00 0.00 H new ATOM 0 HA SER A 20 15.435 20.970 11.790 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.374 23.338 9.950 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.160 21.863 9.425 1.00 0.00 H new ATOM 0 HG SER A 20 13.870 21.840 8.991 1.00 0.00 H new ATOM 327 N ASP A 21 18.030 22.748 12.471 1.00 0.00 N ATOM 328 CA ASP A 21 19.480 22.756 12.442 1.00 0.00 C ATOM 329 C ASP A 21 20.136 21.552 13.126 1.00 0.00 C ATOM 330 O ASP A 21 19.804 21.255 14.264 1.00 0.00 O ATOM 331 CB ASP A 21 20.064 24.025 13.069 1.00 0.00 C ATOM 332 CG ASP A 21 20.154 25.333 12.290 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.418 25.264 11.074 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.195 26.385 12.984 1.00 0.00 O ATOM 0 H ASP A 21 17.609 23.466 13.061 1.00 0.00 H new ATOM 0 HA ASP A 21 19.711 22.710 11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.481 24.231 13.967 1.00 0.00 H new ATOM 0 HB3 ASP A 21 21.075 23.780 13.394 1.00 0.00 H new ATOM 339 N THR A 22 21.037 20.899 12.388 1.00 0.00 N ATOM 340 CA THR A 22 22.032 20.020 12.962 1.00 0.00 C ATOM 341 C THR A 22 23.002 20.896 13.751 1.00 0.00 C ATOM 342 O THR A 22 23.354 21.951 13.231 1.00 0.00 O ATOM 343 CB THR A 22 22.672 19.179 11.862 1.00 0.00 C ATOM 344 OG1 THR A 22 23.351 19.979 10.918 1.00 0.00 O ATOM 345 CG2 THR A 22 21.639 18.203 11.281 1.00 0.00 C ATOM 0 H THR A 22 21.089 20.972 11.372 1.00 0.00 H new ATOM 0 HA THR A 22 21.609 19.293 13.655 1.00 0.00 H new ATOM 0 HB THR A 22 23.461 18.556 12.283 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.749 19.406 10.230 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.104 17.606 10.496 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.276 17.545 12.070 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.803 18.764 10.863 1.00 0.00 H new ATOM 353 N ILE A 23 23.447 20.492 14.947 1.00 0.00 N ATOM 354 CA ILE A 23 24.319 21.332 15.729 1.00 0.00 C ATOM 355 C ILE A 23 25.574 21.818 15.001 1.00 0.00 C ATOM 356 O ILE A 23 26.133 22.824 15.411 1.00 0.00 O ATOM 357 CB ILE A 23 24.642 20.716 17.096 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.371 20.223 17.793 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.435 21.611 18.051 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.288 21.299 17.908 1.00 0.00 C ATOM 0 H ILE A 23 23.213 19.597 15.378 1.00 0.00 H new ATOM 0 HA ILE A 23 23.740 22.239 15.902 1.00 0.00 H new ATOM 0 HB ILE A 23 25.300 19.880 16.859 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.970 19.371 17.243 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.627 19.867 18.791 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.609 21.080 18.987 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.392 21.870 17.597 1.00 0.00 H new ATOM 0 HG23 ILE A 23 24.870 22.521 18.250 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.415 20.884 18.411 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.672 22.142 18.483 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.005 21.639 16.912 1.00 0.00 H new ATOM 372 N GLU A 24 26.046 21.208 13.910 1.00 0.00 N ATOM 373 CA GLU A 24 27.041 21.739 12.999 1.00 0.00 C ATOM 374 C GLU A 24 26.591 23.031 12.317 1.00 0.00 C ATOM 375 O GLU A 24 27.396 23.964 12.305 1.00 0.00 O ATOM 376 CB GLU A 24 27.209 20.596 11.994 1.00 0.00 C ATOM 377 CG GLU A 24 28.068 20.804 10.748 1.00 0.00 C ATOM 378 CD GLU A 24 28.011 19.614 9.792 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.939 18.473 10.301 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.971 19.776 8.553 1.00 0.00 O ATOM 0 H GLU A 24 25.721 20.282 13.632 1.00 0.00 H new ATOM 0 HA GLU A 24 27.965 22.023 13.502 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.621 19.744 12.535 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.213 20.308 11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.734 21.701 10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.102 20.976 11.048 1.00 0.00 H new ATOM 387 N ASN A 25 25.335 23.260 11.944 1.00 0.00 N ATOM 388 CA ASN A 25 24.791 24.419 11.276 1.00 0.00 C ATOM 389 C ASN A 25 24.592 25.560 12.276 1.00 0.00 C ATOM 390 O ASN A 25 24.363 26.699 11.897 1.00 0.00 O ATOM 391 CB ASN A 25 23.498 24.011 10.566 1.00 0.00 C ATOM 392 CG ASN A 25 23.371 24.839 9.298 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.227 24.912 8.420 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.249 25.537 9.135 1.00 0.00 N ATOM 0 H ASN A 25 24.610 22.566 12.123 1.00 0.00 H new ATOM 0 HA ASN A 25 25.483 24.793 10.522 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.515 22.948 10.326 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.639 24.177 11.216 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.121 26.109 8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.517 25.499 9.845 1.00 0.00 H new ATOM 401 N VAL A 26 24.716 25.345 13.590 1.00 0.00 N ATOM 402 CA VAL A 26 24.664 26.362 14.608 1.00 0.00 C ATOM 403 C VAL A 26 26.109 26.798 14.859 1.00 0.00 C ATOM 404 O VAL A 26 26.461 27.969 15.017 1.00 0.00 O ATOM 405 CB VAL A 26 24.092 25.717 15.876 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.117 26.582 17.134 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.658 25.320 15.525 1.00 0.00 C ATOM 0 H VAL A 26 24.861 24.411 13.974 1.00 0.00 H new ATOM 0 HA VAL A 26 24.049 27.215 14.320 1.00 0.00 H new ATOM 0 HB VAL A 26 24.728 24.874 16.146 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.689 26.025 17.967 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.146 26.852 17.369 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.534 27.487 16.965 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.188 24.851 16.390 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.093 26.208 15.242 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.669 24.617 14.692 1.00 0.00 H new ATOM 417 N LYS A 27 27.099 25.937 14.664 1.00 0.00 N ATOM 418 CA LYS A 27 28.501 26.284 14.835 1.00 0.00 C ATOM 419 C LYS A 27 29.044 26.935 13.551 1.00 0.00 C ATOM 420 O LYS A 27 29.904 27.799 13.685 1.00 0.00 O ATOM 421 CB LYS A 27 29.287 24.981 14.992 1.00 0.00 C ATOM 422 CG LYS A 27 29.121 24.294 16.341 1.00 0.00 C ATOM 423 CD LYS A 27 30.230 23.254 16.532 1.00 0.00 C ATOM 424 CE LYS A 27 29.977 21.984 15.708 1.00 0.00 C ATOM 425 NZ LYS A 27 31.178 21.150 15.797 1.00 0.00 N ATOM 0 H LYS A 27 26.948 24.969 14.380 1.00 0.00 H new ATOM 0 HA LYS A 27 28.599 26.955 15.689 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.978 24.290 14.208 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.345 25.190 14.834 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.159 25.032 17.143 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.145 23.813 16.397 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.187 23.688 16.244 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.303 22.992 17.588 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.109 21.447 16.090 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.763 22.238 14.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.007 20.243 15.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.974 21.638 15.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.407 20.976 16.797 1.00 0.00 H new ATOM 439 N ALA A 28 28.385 26.722 12.421 1.00 0.00 N ATOM 440 CA ALA A 28 28.575 27.634 11.307 1.00 0.00 C ATOM 441 C ALA A 28 27.870 28.983 11.494 1.00 0.00 C ATOM 442 O ALA A 28 28.296 29.942 10.850 1.00 0.00 O ATOM 443 CB ALA A 28 28.119 26.953 10.018 1.00 0.00 C ATOM 0 H ALA A 28 27.736 25.953 12.255 1.00 0.00 H new ATOM 0 HA ALA A 28 29.639 27.866 11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.259 27.633 9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.707 26.050 9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.064 26.689 10.099 1.00 0.00 H new ATOM 449 N LYS A 29 26.799 29.016 12.275 1.00 0.00 N ATOM 450 CA LYS A 29 26.229 30.308 12.608 1.00 0.00 C ATOM 451 C LYS A 29 26.971 31.077 13.695 1.00 0.00 C ATOM 452 O LYS A 29 26.979 32.313 13.684 1.00 0.00 O ATOM 453 CB LYS A 29 24.756 30.075 12.971 1.00 0.00 C ATOM 454 CG LYS A 29 23.797 29.904 11.797 1.00 0.00 C ATOM 455 CD LYS A 29 22.379 29.372 12.045 1.00 0.00 C ATOM 456 CE LYS A 29 21.619 28.945 10.790 1.00 0.00 C ATOM 457 NZ LYS A 29 20.407 28.155 11.051 1.00 0.00 N ATOM 0 H LYS A 29 26.328 28.204 12.672 1.00 0.00 H new ATOM 0 HA LYS A 29 26.326 30.958 11.738 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.693 29.186 13.598 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.414 30.916 13.575 1.00 0.00 H new ATOM 0 HG2 LYS A 29 23.700 30.875 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.275 29.236 11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.440 28.520 12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 29 21.802 30.143 12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.342 29.836 10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.288 28.363 10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.434 27.281 10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.360 27.914 12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.568 28.710 10.788 1.00 0.00 H new ATOM 471 N ILE A 30 27.816 30.399 14.463 1.00 0.00 N ATOM 472 CA ILE A 30 28.849 30.988 15.291 1.00 0.00 C ATOM 473 C ILE A 30 30.076 31.346 14.451 1.00 0.00 C ATOM 474 O ILE A 30 30.624 32.396 14.778 1.00 0.00 O ATOM 475 CB ILE A 30 29.191 30.039 16.442 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.978 29.806 17.340 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.293 30.497 17.412 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.966 28.539 18.205 1.00 0.00 C ATOM 0 H ILE A 30 27.795 29.381 14.525 1.00 0.00 H new ATOM 0 HA ILE A 30 28.482 31.919 15.724 1.00 0.00 H new ATOM 0 HB ILE A 30 29.538 29.157 15.904 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.881 30.666 18.003 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.090 29.789 16.708 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.440 29.738 18.180 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.223 30.643 16.863 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.998 31.436 17.881 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.046 28.506 18.789 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.020 27.660 17.563 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.823 28.550 18.878 1.00 0.00 H new ATOM 490 N GLN A 31 30.479 30.622 13.405 1.00 0.00 N ATOM 491 CA GLN A 31 31.483 31.064 12.462 1.00 0.00 C ATOM 492 C GLN A 31 31.278 32.454 11.869 1.00 0.00 C ATOM 493 O GLN A 31 32.178 33.271 11.730 1.00 0.00 O ATOM 494 CB GLN A 31 31.597 30.130 11.250 1.00 0.00 C ATOM 495 CG GLN A 31 32.925 30.288 10.509 1.00 0.00 C ATOM 496 CD GLN A 31 33.366 29.029 9.778 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.585 28.105 9.544 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.629 28.980 9.371 1.00 0.00 N ATOM 0 H GLN A 31 30.104 29.697 13.194 1.00 0.00 H new ATOM 0 HA GLN A 31 32.377 31.067 13.086 1.00 0.00 H new ATOM 0 HB2 GLN A 31 31.490 29.097 11.581 1.00 0.00 H new ATOM 0 HB3 GLN A 31 30.775 30.331 10.563 1.00 0.00 H new ATOM 0 HG2 GLN A 31 32.836 31.103 9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.698 30.574 11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.261 29.755 9.574 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.967 28.168 8.855 1.00 0.00 H new ATOM 507 N ASP A 32 30.025 32.825 11.631 1.00 0.00 N ATOM 508 CA ASP A 32 29.694 34.045 10.931 1.00 0.00 C ATOM 509 C ASP A 32 29.497 35.211 11.906 1.00 0.00 C ATOM 510 O ASP A 32 29.344 36.355 11.487 1.00 0.00 O ATOM 511 CB ASP A 32 28.330 33.786 10.304 1.00 0.00 C ATOM 512 CG ASP A 32 27.649 34.920 9.537 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.237 35.447 8.575 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.447 35.096 9.814 1.00 0.00 O ATOM 0 H ASP A 32 29.213 32.281 11.922 1.00 0.00 H new ATOM 0 HA ASP A 32 30.485 34.297 10.225 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.434 32.942 9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.654 33.472 11.100 1.00 0.00 H new ATOM 519 N LYS A 33 29.551 34.876 13.193 1.00 0.00 N ATOM 520 CA LYS A 33 29.193 35.719 14.305 1.00 0.00 C ATOM 521 C LYS A 33 30.373 35.893 15.274 1.00 0.00 C ATOM 522 O LYS A 33 30.357 36.961 15.863 1.00 0.00 O ATOM 523 CB LYS A 33 28.057 35.090 15.112 1.00 0.00 C ATOM 524 CG LYS A 33 26.608 35.219 14.637 1.00 0.00 C ATOM 525 CD LYS A 33 25.944 36.588 14.816 1.00 0.00 C ATOM 526 CE LYS A 33 24.475 36.566 14.401 1.00 0.00 C ATOM 527 NZ LYS A 33 23.767 37.757 14.900 1.00 0.00 N ATOM 0 H LYS A 33 29.865 33.953 13.493 1.00 0.00 H new ATOM 0 HA LYS A 33 28.896 36.680 13.885 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.274 34.025 15.199 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.105 35.509 16.117 1.00 0.00 H new ATOM 0 HG2 LYS A 33 26.573 34.959 13.579 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.009 34.479 15.167 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.022 36.896 15.859 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.478 37.331 14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.401 36.524 13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.998 35.666 14.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.771 37.718 14.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.819 37.782 15.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.210 38.613 14.510 1.00 0.00 H new ATOM 541 N GLU A 34 31.242 34.927 15.558 1.00 0.00 N ATOM 542 CA GLU A 34 32.382 35.150 16.428 1.00 0.00 C ATOM 543 C GLU A 34 33.662 34.735 15.697 1.00 0.00 C ATOM 544 O GLU A 34 34.777 35.190 15.988 1.00 0.00 O ATOM 545 CB GLU A 34 32.125 34.328 17.688 1.00 0.00 C ATOM 546 CG GLU A 34 33.126 34.324 18.854 1.00 0.00 C ATOM 547 CD GLU A 34 32.896 35.526 19.764 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.614 36.686 19.394 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.018 35.365 20.994 1.00 0.00 O ATOM 0 H GLU A 34 31.173 33.977 15.193 1.00 0.00 H new ATOM 0 HA GLU A 34 32.510 36.197 16.701 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.167 34.656 18.092 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.000 33.292 17.372 1.00 0.00 H new ATOM 0 HG2 GLU A 34 33.022 33.402 19.427 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.144 34.345 18.466 1.00 0.00 H new ATOM 556 N GLY A 35 33.617 33.822 14.746 1.00 0.00 N ATOM 557 CA GLY A 35 34.703 33.394 13.886 1.00 0.00 C ATOM 558 C GLY A 35 35.233 32.005 14.249 1.00 0.00 C ATOM 559 O GLY A 35 36.309 31.644 13.796 1.00 0.00 O ATOM 0 H GLY A 35 32.753 33.322 14.539 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.361 33.388 12.851 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.517 34.116 13.949 1.00 0.00 H new ATOM 563 N ILE A 36 34.477 31.205 15.016 1.00 0.00 N ATOM 564 CA ILE A 36 35.012 29.931 15.438 1.00 0.00 C ATOM 565 C ILE A 36 34.624 29.050 14.252 1.00 0.00 C ATOM 566 O ILE A 36 33.467 29.011 13.858 1.00 0.00 O ATOM 567 CB ILE A 36 34.462 29.523 16.804 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.771 30.513 17.934 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.068 28.219 17.316 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.826 30.352 19.126 1.00 0.00 C ATOM 0 H ILE A 36 33.533 31.417 15.339 1.00 0.00 H new ATOM 0 HA ILE A 36 36.084 29.890 15.628 1.00 0.00 H new ATOM 0 HB ILE A 36 33.392 29.458 16.605 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.799 30.370 18.267 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.698 31.531 17.551 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.642 27.977 18.290 1.00 0.00 H new ATOM 0 HG22 ILE A 36 34.848 27.415 16.614 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.148 28.332 17.411 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.087 31.076 19.898 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.799 30.522 18.802 1.00 0.00 H new ATOM 0 HD13 ILE A 36 33.917 29.343 19.529 1.00 0.00 H new ATOM 582 N PRO A 37 35.588 28.357 13.656 1.00 0.00 N ATOM 583 CA PRO A 37 35.266 27.280 12.739 1.00 0.00 C ATOM 584 C PRO A 37 34.819 26.008 13.456 1.00 0.00 C ATOM 585 O PRO A 37 35.370 25.787 14.537 1.00 0.00 O ATOM 586 CB PRO A 37 36.545 27.015 11.946 1.00 0.00 C ATOM 587 CG PRO A 37 37.686 27.350 12.906 1.00 0.00 C ATOM 588 CD PRO A 37 37.029 28.388 13.828 1.00 0.00 C ATOM 0 HA PRO A 37 34.429 27.568 12.103 1.00 0.00 H new ATOM 0 HB2 PRO A 37 36.598 25.977 11.618 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.589 27.635 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.028 26.473 13.456 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.552 27.757 12.385 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.285 28.179 14.867 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.410 29.383 13.600 1.00 0.00 H new ATOM 596 N PRO A 38 33.872 25.261 12.881 1.00 0.00 N ATOM 597 CA PRO A 38 33.100 24.249 13.566 1.00 0.00 C ATOM 598 C PRO A 38 33.888 23.009 13.968 1.00 0.00 C ATOM 599 O PRO A 38 33.298 22.228 14.704 1.00 0.00 O ATOM 600 CB PRO A 38 31.986 23.822 12.598 1.00 0.00 C ATOM 601 CG PRO A 38 32.558 24.190 11.233 1.00 0.00 C ATOM 602 CD PRO A 38 33.526 25.337 11.479 1.00 0.00 C ATOM 0 HA PRO A 38 32.738 24.684 14.498 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.774 22.755 12.672 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.053 24.348 12.800 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.068 23.339 10.782 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.766 24.488 10.546 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.412 25.243 10.851 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.066 26.296 11.240 1.00 0.00 H new ATOM 610 N ASP A 39 35.134 22.765 13.558 1.00 0.00 N ATOM 611 CA ASP A 39 35.983 21.719 14.093 1.00 0.00 C ATOM 612 C ASP A 39 36.460 21.872 15.539 1.00 0.00 C ATOM 613 O ASP A 39 36.901 20.900 16.141 1.00 0.00 O ATOM 614 CB ASP A 39 37.101 21.453 13.079 1.00 0.00 C ATOM 615 CG ASP A 39 38.172 20.442 13.455 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.926 19.230 13.281 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.359 20.808 13.558 1.00 0.00 O ATOM 0 H ASP A 39 35.586 23.310 12.823 1.00 0.00 H new ATOM 0 HA ASP A 39 35.360 20.832 14.210 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.638 21.121 12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.595 22.402 12.868 1.00 0.00 H new ATOM 622 N GLN A 40 36.419 23.026 16.198 1.00 0.00 N ATOM 623 CA GLN A 40 37.165 23.327 17.395 1.00 0.00 C ATOM 624 C GLN A 40 36.344 23.681 18.632 1.00 0.00 C ATOM 625 O GLN A 40 36.756 24.487 19.465 1.00 0.00 O ATOM 626 CB GLN A 40 38.301 24.300 17.094 1.00 0.00 C ATOM 627 CG GLN A 40 38.058 25.677 16.488 1.00 0.00 C ATOM 628 CD GLN A 40 39.322 26.520 16.564 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.200 27.749 16.534 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.511 25.946 16.483 1.00 0.00 N ATOM 0 H GLN A 40 35.836 23.805 15.891 1.00 0.00 H new ATOM 0 HA GLN A 40 37.609 22.381 17.705 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.831 24.461 18.033 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.988 23.781 16.425 1.00 0.00 H new ATOM 0 HG2 GLN A 40 37.744 25.574 15.449 1.00 0.00 H new ATOM 0 HG3 GLN A 40 37.247 26.177 17.018 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.589 24.929 16.510 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.349 26.520 16.394 1.00 0.00 H new ATOM 639 N GLN A 41 35.106 23.184 18.734 1.00 0.00 N ATOM 640 CA GLN A 41 34.157 23.356 19.814 1.00 0.00 C ATOM 641 C GLN A 41 33.882 22.042 20.546 1.00 0.00 C ATOM 642 O GLN A 41 33.951 20.981 19.933 1.00 0.00 O ATOM 643 CB GLN A 41 32.847 23.909 19.241 1.00 0.00 C ATOM 644 CG GLN A 41 32.799 25.393 18.869 1.00 0.00 C ATOM 645 CD GLN A 41 32.993 25.483 17.360 1.00 0.00 C ATOM 646 OE1 GLN A 41 33.721 24.826 16.628 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.284 26.511 16.912 1.00 0.00 N ATOM 0 H GLN A 41 34.719 22.601 17.992 1.00 0.00 H new ATOM 0 HA GLN A 41 34.584 24.052 20.536 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.602 23.332 18.349 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.058 23.721 19.969 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.846 25.833 19.162 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.579 25.947 19.391 1.00 0.00 H new ATOM 0 HE21 GLN A 41 31.687 27.036 17.551 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.335 26.776 15.928 1.00 0.00 H new ATOM 656 N ARG A 42 33.266 22.192 21.712 1.00 0.00 N ATOM 657 CA ARG A 42 32.234 21.398 22.353 1.00 0.00 C ATOM 658 C ARG A 42 31.153 22.438 22.682 1.00 0.00 C ATOM 659 O ARG A 42 31.399 23.587 23.035 1.00 0.00 O ATOM 660 CB ARG A 42 32.728 20.622 23.573 1.00 0.00 C ATOM 661 CG ARG A 42 33.801 19.587 23.221 1.00 0.00 C ATOM 662 CD ARG A 42 34.009 18.527 24.302 1.00 0.00 C ATOM 663 NE ARG A 42 35.409 18.139 24.442 1.00 0.00 N ATOM 664 CZ ARG A 42 35.926 16.906 24.532 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.307 15.799 24.093 1.00 0.00 N ATOM 666 NH2 ARG A 42 37.118 16.870 25.145 1.00 0.00 N ATOM 0 H ARG A 42 33.516 22.982 22.307 1.00 0.00 H new ATOM 0 HA ARG A 42 31.864 20.596 21.714 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.131 21.322 24.305 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.884 20.118 24.044 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.526 19.094 22.289 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.745 20.102 23.043 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.644 18.909 25.256 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.413 17.646 24.062 1.00 0.00 H new ATOM 0 HE ARG A 42 36.081 18.906 24.476 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.386 15.867 23.660 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.758 14.889 24.193 1.00 0.00 H new ATOM 0 HH21 ARG A 42 37.541 17.732 25.489 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.602 15.980 25.267 1.00 0.00 H new ATOM 680 N LEU A 43 29.930 21.911 22.690 1.00 0.00 N ATOM 681 CA LEU A 43 28.741 22.539 23.255 1.00 0.00 C ATOM 682 C LEU A 43 28.160 21.690 24.389 1.00 0.00 C ATOM 683 O LEU A 43 27.497 20.685 24.139 1.00 0.00 O ATOM 684 CB LEU A 43 27.775 22.771 22.099 1.00 0.00 C ATOM 685 CG LEU A 43 28.056 23.864 21.053 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.531 25.193 21.641 1.00 0.00 C ATOM 687 CD2 LEU A 43 29.052 23.380 19.995 1.00 0.00 C ATOM 0 H LEU A 43 29.734 20.995 22.285 1.00 0.00 H new ATOM 0 HA LEU A 43 28.969 23.498 23.721 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.684 21.827 21.561 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.799 22.985 22.534 1.00 0.00 H new ATOM 0 HG LEU A 43 27.089 24.059 20.589 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.705 25.906 20.835 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.769 25.586 22.314 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.457 25.036 22.193 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.229 24.175 19.271 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.992 23.112 20.476 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.644 22.508 19.484 1.00 0.00 H new ATOM 699 N ILE A 44 28.315 22.070 25.655 1.00 0.00 N ATOM 700 CA ILE A 44 27.741 21.459 26.844 1.00 0.00 C ATOM 701 C ILE A 44 26.381 22.131 27.023 1.00 0.00 C ATOM 702 O ILE A 44 26.135 23.318 26.818 1.00 0.00 O ATOM 703 CB ILE A 44 28.674 21.703 28.030 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.122 21.492 27.602 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.293 20.920 29.294 1.00 0.00 C ATOM 706 CD1 ILE A 44 31.071 21.634 28.791 1.00 0.00 C ATOM 0 H ILE A 44 28.892 22.878 25.891 1.00 0.00 H new ATOM 0 HA ILE A 44 27.620 20.379 26.764 1.00 0.00 H new ATOM 0 HB ILE A 44 28.557 22.744 28.330 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.234 20.502 27.159 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.387 22.217 26.832 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.002 21.147 30.090 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.290 21.205 29.610 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.316 19.851 29.081 1.00 0.00 H new ATOM 0 HD11 ILE A 44 32.097 21.479 28.458 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.975 22.633 29.216 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.819 20.892 29.548 1.00 0.00 H new ATOM 718 N PHE A 45 25.471 21.188 27.290 1.00 0.00 N ATOM 719 CA PHE A 45 24.095 21.545 27.574 1.00 0.00 C ATOM 720 C PHE A 45 23.486 20.691 28.684 1.00 0.00 C ATOM 721 O PHE A 45 23.290 19.482 28.517 1.00 0.00 O ATOM 722 CB PHE A 45 23.302 21.433 26.268 1.00 0.00 C ATOM 723 CG PHE A 45 21.796 21.497 26.305 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.204 22.730 26.606 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.986 20.364 26.152 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.800 22.833 26.619 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.598 20.501 26.036 1.00 0.00 C ATOM 728 CZ PHE A 45 19.001 21.736 26.295 1.00 0.00 C ATOM 0 H PHE A 45 25.668 20.187 27.313 1.00 0.00 H new ATOM 0 HA PHE A 45 24.057 22.568 27.948 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.646 22.229 25.608 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.577 20.488 25.799 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.817 23.592 26.826 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.434 19.382 26.123 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.336 23.772 26.883 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.992 19.655 25.747 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.927 21.842 26.245 1.00 0.00 H new ATOM 738 N ALA A 46 23.121 21.235 29.837 1.00 0.00 N ATOM 739 CA ALA A 46 22.620 20.577 31.036 1.00 0.00 C ATOM 740 C ALA A 46 23.406 19.316 31.390 1.00 0.00 C ATOM 741 O ALA A 46 22.904 18.410 32.052 1.00 0.00 O ATOM 742 CB ALA A 46 21.109 20.347 30.947 1.00 0.00 C ATOM 0 H ALA A 46 23.173 22.245 29.969 1.00 0.00 H new ATOM 0 HA ALA A 46 22.786 21.253 31.874 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.762 19.854 31.855 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.601 21.305 30.837 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.887 19.718 30.085 1.00 0.00 H new ATOM 748 N GLY A 47 24.716 19.374 31.184 1.00 0.00 N ATOM 749 CA GLY A 47 25.616 18.334 31.643 1.00 0.00 C ATOM 750 C GLY A 47 26.238 17.534 30.501 1.00 0.00 C ATOM 751 O GLY A 47 27.371 17.074 30.626 1.00 0.00 O ATOM 0 H GLY A 47 25.179 20.141 30.696 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.410 18.785 32.237 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.072 17.655 32.300 1.00 0.00 H new ATOM 755 N LYS A 48 25.480 17.311 29.431 1.00 0.00 N ATOM 756 CA LYS A 48 25.762 16.496 28.271 1.00 0.00 C ATOM 757 C LYS A 48 26.592 17.348 27.309 1.00 0.00 C ATOM 758 O LYS A 48 26.581 18.577 27.358 1.00 0.00 O ATOM 759 CB LYS A 48 24.482 16.282 27.461 1.00 0.00 C ATOM 760 CG LYS A 48 23.480 15.324 28.100 1.00 0.00 C ATOM 761 CD LYS A 48 22.156 15.203 27.345 1.00 0.00 C ATOM 762 CE LYS A 48 21.189 14.268 28.088 1.00 0.00 C ATOM 763 NZ LYS A 48 19.891 14.197 27.420 1.00 0.00 N ATOM 0 H LYS A 48 24.560 17.745 29.356 1.00 0.00 H new ATOM 0 HA LYS A 48 26.225 15.568 28.608 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.997 17.247 27.310 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.750 15.902 26.475 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.935 14.336 28.173 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.275 15.656 29.118 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.704 16.188 27.235 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.338 14.822 26.340 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.622 13.270 28.150 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.054 14.621 29.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.263 13.558 27.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.467 15.146 27.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.018 13.837 26.453 1.00 0.00 H new ATOM 777 N GLN A 49 27.223 16.724 26.317 1.00 0.00 N ATOM 778 CA GLN A 49 28.022 17.319 25.259 1.00 0.00 C ATOM 779 C GLN A 49 27.346 17.039 23.914 1.00 0.00 C ATOM 780 O GLN A 49 27.224 15.897 23.475 1.00 0.00 O ATOM 781 CB GLN A 49 29.463 16.854 25.504 1.00 0.00 C ATOM 782 CG GLN A 49 30.179 17.331 26.762 1.00 0.00 C ATOM 783 CD GLN A 49 31.698 17.176 26.819 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.373 17.768 27.665 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.316 16.299 26.034 1.00 0.00 N ATOM 0 H GLN A 49 27.183 15.709 26.229 1.00 0.00 H new ATOM 0 HA GLN A 49 28.085 18.407 25.248 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.462 15.764 25.517 1.00 0.00 H new ATOM 0 HB3 GLN A 49 30.061 17.162 24.646 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.945 18.386 26.901 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.756 16.796 27.612 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.789 15.791 25.323 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.317 16.134 26.142 1.00 0.00 H new ATOM 794 N LEU A 50 26.977 18.092 23.202 1.00 0.00 N ATOM 795 CA LEU A 50 25.989 17.985 22.134 1.00 0.00 C ATOM 796 C LEU A 50 26.672 17.448 20.873 1.00 0.00 C ATOM 797 O LEU A 50 27.652 17.972 20.364 1.00 0.00 O ATOM 798 CB LEU A 50 25.241 19.282 21.850 1.00 0.00 C ATOM 799 CG LEU A 50 24.255 19.804 22.892 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.989 21.280 22.561 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.006 18.923 22.878 1.00 0.00 C ATOM 0 H LEU A 50 27.346 19.033 23.343 1.00 0.00 H new ATOM 0 HA LEU A 50 25.221 17.289 22.471 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.984 20.061 21.679 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.695 19.151 20.916 1.00 0.00 H new ATOM 0 HG LEU A 50 24.642 19.756 23.910 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.286 21.694 23.284 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.925 21.837 22.604 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.567 21.358 21.559 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.295 19.288 23.619 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.548 18.956 21.889 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.283 17.896 23.115 1.00 0.00 H new ATOM 813 N GLU A 51 26.135 16.344 20.343 1.00 0.00 N ATOM 814 CA GLU A 51 26.689 15.610 19.228 1.00 0.00 C ATOM 815 C GLU A 51 26.289 16.392 17.979 1.00 0.00 C ATOM 816 O GLU A 51 25.086 16.606 17.813 1.00 0.00 O ATOM 817 CB GLU A 51 26.189 14.169 19.167 1.00 0.00 C ATOM 818 CG GLU A 51 27.183 13.156 19.738 1.00 0.00 C ATOM 819 CD GLU A 51 28.264 12.893 18.697 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.559 13.715 17.814 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.905 11.844 18.912 1.00 0.00 O ATOM 0 H GLU A 51 25.273 15.932 20.700 1.00 0.00 H new ATOM 0 HA GLU A 51 27.771 15.525 19.324 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.250 14.095 19.716 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.974 13.911 18.130 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.628 13.539 20.656 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.672 12.228 19.995 1.00 0.00 H new ATOM 828 N ASP A 52 27.283 16.639 17.128 1.00 0.00 N ATOM 829 CA ASP A 52 27.208 17.513 15.971 1.00 0.00 C ATOM 830 C ASP A 52 26.050 17.338 14.995 1.00 0.00 C ATOM 831 O ASP A 52 25.481 18.256 14.395 1.00 0.00 O ATOM 832 CB ASP A 52 28.525 17.601 15.192 1.00 0.00 C ATOM 833 CG ASP A 52 29.758 18.114 15.922 1.00 0.00 C ATOM 834 OD1 ASP A 52 30.008 17.792 17.102 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.547 18.803 15.256 1.00 0.00 O ATOM 0 H ASP A 52 28.203 16.213 17.236 1.00 0.00 H new ATOM 0 HA ASP A 52 26.992 18.456 16.474 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.754 16.606 14.811 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.358 18.243 14.327 1.00 0.00 H new ATOM 840 N GLY A 53 25.615 16.112 14.733 1.00 0.00 N ATOM 841 CA GLY A 53 24.667 15.795 13.685 1.00 0.00 C ATOM 842 C GLY A 53 23.254 15.477 14.167 1.00 0.00 C ATOM 843 O GLY A 53 22.466 14.926 13.389 1.00 0.00 O ATOM 0 H GLY A 53 25.922 15.294 15.259 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.618 16.636 12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.043 14.941 13.122 1.00 0.00 H new ATOM 847 N ARG A 54 22.860 15.573 15.430 1.00 0.00 N ATOM 848 CA ARG A 54 21.480 15.472 15.872 1.00 0.00 C ATOM 849 C ARG A 54 20.886 16.884 15.815 1.00 0.00 C ATOM 850 O ARG A 54 21.670 17.819 15.954 1.00 0.00 O ATOM 851 CB ARG A 54 21.522 14.966 17.318 1.00 0.00 C ATOM 852 CG ARG A 54 21.653 13.463 17.541 1.00 0.00 C ATOM 853 CD ARG A 54 20.309 12.745 17.488 1.00 0.00 C ATOM 854 NE ARG A 54 19.606 12.906 18.763 1.00 0.00 N ATOM 855 CZ ARG A 54 18.301 13.141 18.949 1.00 0.00 C ATOM 856 NH1 ARG A 54 17.527 13.554 17.939 1.00 0.00 N ATOM 857 NH2 ARG A 54 17.792 13.024 20.188 1.00 0.00 N ATOM 0 H ARG A 54 23.514 15.728 16.197 1.00 0.00 H new ATOM 0 HA ARG A 54 20.880 14.800 15.259 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.358 15.453 17.819 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.612 15.301 17.817 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.316 13.043 16.784 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.120 13.282 18.509 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.704 13.148 16.676 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.461 11.686 17.278 1.00 0.00 H new ATOM 0 HE ARG A 54 20.176 12.830 19.606 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.929 13.694 17.012 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.534 13.729 18.096 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.398 12.760 20.965 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.800 13.199 20.351 1.00 0.00 H new ATOM 871 N THR A 55 19.601 16.941 15.504 1.00 0.00 N ATOM 872 CA THR A 55 18.937 18.213 15.280 1.00 0.00 C ATOM 873 C THR A 55 18.426 18.816 16.584 1.00 0.00 C ATOM 874 O THR A 55 17.933 18.160 17.505 1.00 0.00 O ATOM 875 CB THR A 55 17.843 17.984 14.232 1.00 0.00 C ATOM 876 OG1 THR A 55 16.800 17.191 14.737 1.00 0.00 O ATOM 877 CG2 THR A 55 18.258 17.418 12.875 1.00 0.00 C ATOM 0 H THR A 55 18.999 16.124 15.401 1.00 0.00 H new ATOM 0 HA THR A 55 19.636 18.956 14.896 1.00 0.00 H new ATOM 0 HB THR A 55 17.527 19.007 14.030 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.119 17.066 14.044 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.378 17.311 12.241 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.968 18.095 12.400 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.725 16.443 13.015 1.00 0.00 H new ATOM 885 N LEU A 56 18.708 20.106 16.685 1.00 0.00 N ATOM 886 CA LEU A 56 18.417 21.129 17.675 1.00 0.00 C ATOM 887 C LEU A 56 17.210 20.821 18.559 1.00 0.00 C ATOM 888 O LEU A 56 17.329 20.603 19.760 1.00 0.00 O ATOM 889 CB LEU A 56 18.483 22.539 17.088 1.00 0.00 C ATOM 890 CG LEU A 56 18.374 23.764 17.991 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.654 24.240 18.685 1.00 0.00 C ATOM 892 CD2 LEU A 56 17.896 24.936 17.134 1.00 0.00 C ATOM 0 H LEU A 56 19.247 20.531 15.930 1.00 0.00 H new ATOM 0 HA LEU A 56 19.231 21.104 18.399 1.00 0.00 H new ATOM 0 HB2 LEU A 56 19.428 22.619 16.551 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.688 22.615 16.346 1.00 0.00 H new ATOM 0 HG LEU A 56 17.698 23.452 18.787 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.433 25.117 19.294 1.00 0.00 H new ATOM 0 HD12 LEU A 56 20.040 23.444 19.321 1.00 0.00 H new ATOM 0 HD13 LEU A 56 20.400 24.499 17.934 1.00 0.00 H new ATOM 0 HD21 LEU A 56 17.808 25.828 17.754 1.00 0.00 H new ATOM 0 HD22 LEU A 56 18.614 25.119 16.335 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.924 24.698 16.701 1.00 0.00 H new ATOM 904 N SER A 57 16.063 21.026 17.918 1.00 0.00 N ATOM 905 CA SER A 57 14.752 21.019 18.547 1.00 0.00 C ATOM 906 C SER A 57 14.422 19.625 19.059 1.00 0.00 C ATOM 907 O SER A 57 13.893 19.370 20.138 1.00 0.00 O ATOM 908 CB SER A 57 13.688 21.619 17.639 1.00 0.00 C ATOM 909 OG SER A 57 13.408 22.977 17.899 1.00 0.00 O ATOM 0 H SER A 57 16.022 21.207 16.915 1.00 0.00 H new ATOM 0 HA SER A 57 14.770 21.671 19.420 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.011 21.518 16.603 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.769 21.043 17.744 1.00 0.00 H new ATOM 0 HG SER A 57 12.532 23.208 17.525 1.00 0.00 H new ATOM 915 N ASP A 58 14.785 18.546 18.371 1.00 0.00 N ATOM 916 CA ASP A 58 14.520 17.194 18.832 1.00 0.00 C ATOM 917 C ASP A 58 15.527 16.705 19.884 1.00 0.00 C ATOM 918 O ASP A 58 15.136 15.943 20.771 1.00 0.00 O ATOM 919 CB ASP A 58 14.666 16.298 17.597 1.00 0.00 C ATOM 920 CG ASP A 58 14.138 14.881 17.795 1.00 0.00 C ATOM 921 OD1 ASP A 58 14.896 13.978 18.194 1.00 0.00 O ATOM 922 OD2 ASP A 58 12.970 14.624 17.434 1.00 0.00 O ATOM 0 H ASP A 58 15.272 18.589 17.476 1.00 0.00 H new ATOM 0 HA ASP A 58 13.534 17.165 19.295 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.138 16.758 16.762 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.719 16.247 17.320 1.00 0.00 H new ATOM 927 N TYR A 59 16.722 17.276 19.987 1.00 0.00 N ATOM 928 CA TYR A 59 17.581 17.141 21.138 1.00 0.00 C ATOM 929 C TYR A 59 17.068 17.719 22.467 1.00 0.00 C ATOM 930 O TYR A 59 17.477 17.321 23.553 1.00 0.00 O ATOM 931 CB TYR A 59 18.910 17.819 20.814 1.00 0.00 C ATOM 932 CG TYR A 59 20.166 17.047 21.137 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.204 16.204 22.250 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.205 16.871 20.216 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.365 15.459 22.522 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.407 16.215 20.516 1.00 0.00 C ATOM 937 CZ TYR A 59 22.521 15.531 21.742 1.00 0.00 C ATOM 938 OH TYR A 59 23.684 14.948 22.145 1.00 0.00 O ATOM 0 H TYR A 59 17.122 17.857 19.250 1.00 0.00 H new ATOM 0 HA TYR A 59 17.650 16.067 21.309 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.920 18.054 19.750 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.947 18.767 21.350 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.345 16.125 22.899 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.073 17.263 19.218 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.363 14.798 23.376 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.232 16.234 19.819 1.00 0.00 H new ATOM 0 HH TYR A 59 23.961 14.279 21.484 1.00 0.00 H new ATOM 948 N ASN A 60 16.137 18.671 22.414 1.00 0.00 N ATOM 949 CA ASN A 60 15.422 19.321 23.491 1.00 0.00 C ATOM 950 C ASN A 60 15.811 20.761 23.846 1.00 0.00 C ATOM 951 O ASN A 60 15.686 21.207 24.983 1.00 0.00 O ATOM 952 CB ASN A 60 14.794 18.362 24.496 1.00 0.00 C ATOM 953 CG ASN A 60 13.662 18.974 25.311 1.00 0.00 C ATOM 954 OD1 ASN A 60 13.915 19.510 26.384 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.434 18.663 24.901 1.00 0.00 N ATOM 0 H ASN A 60 15.839 19.040 21.511 1.00 0.00 H new ATOM 0 HA ASN A 60 14.488 19.708 23.084 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.414 17.490 23.963 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.568 18.007 25.177 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.630 18.871 25.494 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.297 18.217 23.994 1.00 0.00 H new ATOM 962 N ILE A 61 16.382 21.436 22.860 1.00 0.00 N ATOM 963 CA ILE A 61 16.898 22.796 22.921 1.00 0.00 C ATOM 964 C ILE A 61 15.881 23.759 22.315 1.00 0.00 C ATOM 965 O ILE A 61 15.954 23.993 21.109 1.00 0.00 O ATOM 966 CB ILE A 61 18.251 22.932 22.219 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.348 22.003 22.737 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.860 24.333 22.316 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.524 21.832 21.774 1.00 0.00 C ATOM 0 H ILE A 61 16.505 21.022 21.936 1.00 0.00 H new ATOM 0 HA ILE A 61 17.058 23.046 23.970 1.00 0.00 H new ATOM 0 HB ILE A 61 17.976 22.673 21.197 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.721 22.391 23.685 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.914 21.024 22.942 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.817 24.350 21.795 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.185 25.056 21.858 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.012 24.592 23.364 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.260 21.159 22.214 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.166 21.414 20.833 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.986 22.802 21.587 1.00 0.00 H new ATOM 981 N GLN A 62 14.778 24.046 22.996 1.00 0.00 N ATOM 982 CA GLN A 62 13.724 24.930 22.546 1.00 0.00 C ATOM 983 C GLN A 62 14.106 26.328 23.043 1.00 0.00 C ATOM 984 O GLN A 62 15.049 26.571 23.796 1.00 0.00 O ATOM 985 CB GLN A 62 12.380 24.448 23.115 1.00 0.00 C ATOM 986 CG GLN A 62 11.035 25.111 22.823 1.00 0.00 C ATOM 987 CD GLN A 62 10.873 25.231 21.316 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.378 24.359 20.616 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.198 26.274 20.839 1.00 0.00 N ATOM 0 H GLN A 62 14.591 23.648 23.917 1.00 0.00 H new ATOM 0 HA GLN A 62 13.613 24.943 21.462 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.277 23.407 22.809 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.491 24.452 24.199 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.222 24.520 23.245 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.989 26.096 23.288 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.804 26.963 21.480 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.075 26.385 19.833 1.00 0.00 H new ATOM 998 N LYS A 63 13.342 27.276 22.521 1.00 0.00 N ATOM 999 CA LYS A 63 13.468 28.713 22.660 1.00 0.00 C ATOM 1000 C LYS A 63 14.042 29.267 23.964 1.00 0.00 C ATOM 1001 O LYS A 63 13.460 29.070 25.033 1.00 0.00 O ATOM 1002 CB LYS A 63 12.076 29.299 22.449 1.00 0.00 C ATOM 1003 CG LYS A 63 11.849 30.693 21.873 1.00 0.00 C ATOM 1004 CD LYS A 63 11.711 31.835 22.872 1.00 0.00 C ATOM 1005 CE LYS A 63 11.144 33.139 22.304 1.00 0.00 C ATOM 1006 NZ LYS A 63 11.542 34.338 23.062 1.00 0.00 N ATOM 0 H LYS A 63 12.544 27.032 21.935 1.00 0.00 H new ATOM 0 HA LYS A 63 14.214 29.006 21.921 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.541 28.604 21.802 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.579 29.278 23.419 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.679 30.924 21.205 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.947 30.665 21.262 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.069 31.505 23.689 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.692 32.041 23.300 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.473 33.248 21.270 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.056 33.075 22.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.123 35.182 22.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.206 34.256 24.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.578 34.424 23.057 1.00 0.00 H new ATOM 1020 N GLU A 64 15.199 29.917 23.868 1.00 0.00 N ATOM 1021 CA GLU A 64 15.933 30.631 24.893 1.00 0.00 C ATOM 1022 C GLU A 64 16.697 29.713 25.843 1.00 0.00 C ATOM 1023 O GLU A 64 17.097 30.208 26.895 1.00 0.00 O ATOM 1024 CB GLU A 64 15.040 31.625 25.643 1.00 0.00 C ATOM 1025 CG GLU A 64 15.013 32.957 24.893 1.00 0.00 C ATOM 1026 CD GLU A 64 14.456 34.116 25.701 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.932 33.869 26.810 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.562 35.244 25.169 1.00 0.00 O ATOM 0 H GLU A 64 15.691 29.957 22.975 1.00 0.00 H new ATOM 0 HA GLU A 64 16.695 31.208 24.369 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.030 31.226 25.732 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.415 31.774 26.656 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.027 33.203 24.577 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.416 32.840 23.988 1.00 0.00 H new ATOM 1035 N SER A 65 17.121 28.553 25.336 1.00 0.00 N ATOM 1036 CA SER A 65 18.030 27.665 26.023 1.00 0.00 C ATOM 1037 C SER A 65 19.478 28.173 26.084 1.00 0.00 C ATOM 1038 O SER A 65 20.099 28.711 25.166 1.00 0.00 O ATOM 1039 CB SER A 65 18.111 26.232 25.490 1.00 0.00 C ATOM 1040 OG SER A 65 16.889 25.568 25.765 1.00 0.00 O ATOM 0 H SER A 65 16.831 28.209 24.421 1.00 0.00 H new ATOM 0 HA SER A 65 17.568 27.653 27.010 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.302 26.240 24.417 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.941 25.703 25.958 1.00 0.00 H new ATOM 0 HG SER A 65 16.201 25.875 25.138 1.00 0.00 H new ATOM 1046 N THR A 66 20.170 27.821 27.152 1.00 0.00 N ATOM 1047 CA THR A 66 21.503 28.317 27.457 1.00 0.00 C ATOM 1048 C THR A 66 22.458 27.171 27.131 1.00 0.00 C ATOM 1049 O THR A 66 22.457 26.225 27.919 1.00 0.00 O ATOM 1050 CB THR A 66 21.557 28.718 28.930 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.442 29.479 29.345 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.778 29.554 29.312 1.00 0.00 C ATOM 0 H THR A 66 19.814 27.167 27.849 1.00 0.00 H new ATOM 0 HA THR A 66 21.776 29.201 26.880 1.00 0.00 H new ATOM 0 HB THR A 66 21.588 27.748 29.426 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.534 29.703 30.295 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.736 29.794 30.374 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.686 28.988 29.103 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.784 30.476 28.731 1.00 0.00 H new ATOM 1060 N LEU A 67 23.197 27.327 26.042 1.00 0.00 N ATOM 1061 CA LEU A 67 24.375 26.515 25.855 1.00 0.00 C ATOM 1062 C LEU A 67 25.551 27.193 26.553 1.00 0.00 C ATOM 1063 O LEU A 67 25.647 28.417 26.567 1.00 0.00 O ATOM 1064 CB LEU A 67 24.781 26.528 24.385 1.00 0.00 C ATOM 1065 CG LEU A 67 23.853 25.931 23.316 1.00 0.00 C ATOM 1066 CD1 LEU A 67 24.527 25.983 21.941 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.477 24.491 23.666 1.00 0.00 C ATOM 0 H LEU A 67 23.003 27.994 25.295 1.00 0.00 H new ATOM 0 HA LEU A 67 24.158 25.514 26.227 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.962 27.567 24.110 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.736 26.007 24.310 1.00 0.00 H new ATOM 0 HG LEU A 67 22.940 26.525 23.285 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.859 25.557 21.192 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.748 27.019 21.683 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.454 25.410 21.968 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.820 24.089 22.895 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.380 23.883 23.726 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.963 24.472 24.627 1.00 0.00 H new ATOM 1079 N HIS A 68 26.434 26.293 27.000 1.00 0.00 N ATOM 1080 CA HIS A 68 27.829 26.611 27.228 1.00 0.00 C ATOM 1081 C HIS A 68 28.798 26.010 26.200 1.00 0.00 C ATOM 1082 O HIS A 68 28.959 24.806 26.003 1.00 0.00 O ATOM 1083 CB HIS A 68 28.357 26.152 28.583 1.00 0.00 C ATOM 1084 CG HIS A 68 27.698 26.888 29.722 1.00 0.00 C ATOM 1085 ND1 HIS A 68 26.611 26.319 30.369 1.00 0.00 N ATOM 1086 CD2 HIS A 68 28.039 28.020 30.414 1.00 0.00 C ATOM 1087 CE1 HIS A 68 26.282 27.182 31.336 1.00 0.00 C ATOM 1088 NE2 HIS A 68 27.099 28.245 31.401 1.00 0.00 N ATOM 0 H HIS A 68 26.191 25.325 27.211 1.00 0.00 H new ATOM 0 HA HIS A 68 27.812 27.698 27.155 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.186 25.081 28.695 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.435 26.309 28.625 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.904 28.637 30.219 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.442 27.038 31.999 1.00 0.00 H new ATOM 0 HE2 HIS A 68 27.039 29.041 32.037 1.00 0.00 H new ATOM 1096 N LEU A 69 29.371 26.898 25.397 1.00 0.00 N ATOM 1097 CA LEU A 69 30.482 26.628 24.507 1.00 0.00 C ATOM 1098 C LEU A 69 31.746 26.505 25.366 1.00 0.00 C ATOM 1099 O LEU A 69 32.056 27.366 26.182 1.00 0.00 O ATOM 1100 CB LEU A 69 30.758 27.866 23.658 1.00 0.00 C ATOM 1101 CG LEU A 69 31.715 27.804 22.473 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.157 28.644 21.323 1.00 0.00 C ATOM 1103 CD2 LEU A 69 33.079 28.367 22.892 1.00 0.00 C ATOM 0 H LEU A 69 29.057 27.867 25.350 1.00 0.00 H new ATOM 0 HA LEU A 69 30.252 25.744 23.911 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.798 28.213 23.276 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.131 28.638 24.330 1.00 0.00 H new ATOM 0 HG LEU A 69 31.827 26.769 22.150 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.841 28.600 20.475 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.184 28.253 21.025 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.048 29.679 21.648 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.766 28.324 22.047 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.962 29.402 23.212 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.480 27.775 23.715 1.00 0.00 H new ATOM 1115 N VAL A 70 32.575 25.529 24.995 1.00 0.00 N ATOM 1116 CA VAL A 70 33.951 25.387 25.420 1.00 0.00 C ATOM 1117 C VAL A 70 34.728 25.261 24.108 1.00 0.00 C ATOM 1118 O VAL A 70 34.198 24.803 23.101 1.00 0.00 O ATOM 1119 CB VAL A 70 34.268 24.205 26.348 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.755 23.907 26.554 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.682 24.297 27.758 1.00 0.00 C ATOM 0 H VAL A 70 32.283 24.786 24.360 1.00 0.00 H new ATOM 0 HA VAL A 70 34.219 26.242 26.040 1.00 0.00 H new ATOM 0 HB VAL A 70 33.788 23.408 25.780 1.00 0.00 H new ATOM 0 HG11 VAL A 70 35.866 23.055 27.225 1.00 0.00 H new ATOM 0 HG12 VAL A 70 36.216 23.675 25.594 1.00 0.00 H new ATOM 0 HG13 VAL A 70 36.244 24.778 26.990 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.966 23.413 28.328 1.00 0.00 H new ATOM 0 HG22 VAL A 70 34.066 25.188 28.254 1.00 0.00 H new ATOM 0 HG23 VAL A 70 32.595 24.356 27.697 1.00 0.00 H new ATOM 1131 N LEU A 71 35.935 25.806 24.135 1.00 0.00 N ATOM 1132 CA LEU A 71 36.812 25.840 22.980 1.00 0.00 C ATOM 1133 C LEU A 71 37.743 24.649 23.207 1.00 0.00 C ATOM 1134 O LEU A 71 38.319 24.510 24.285 1.00 0.00 O ATOM 1135 CB LEU A 71 37.660 27.113 23.016 1.00 0.00 C ATOM 1136 CG LEU A 71 36.802 28.369 22.889 1.00 0.00 C ATOM 1137 CD1 LEU A 71 36.350 28.731 24.304 1.00 0.00 C ATOM 1138 CD2 LEU A 71 37.649 29.513 22.332 1.00 0.00 C ATOM 0 H LEU A 71 36.334 26.240 24.967 1.00 0.00 H new ATOM 0 HA LEU A 71 36.267 25.811 22.036 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.222 27.149 23.949 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.389 27.087 22.206 1.00 0.00 H new ATOM 0 HG LEU A 71 35.955 28.201 22.224 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.730 29.627 24.270 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.774 27.907 24.724 1.00 0.00 H new ATOM 0 HD13 LEU A 71 37.224 28.918 24.928 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.035 30.409 22.242 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.483 29.710 23.006 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.034 29.236 21.350 1.00 0.00 H new