USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 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 7 THR OG1 : rot 180:sc= 0.17 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.5 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.07) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -23:sc= 0.00332 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 22 THR OG1 : rot 109:sc= 1.26 USER MOD Single : A 25 ASN : amide:sc= -0.0522 X(o=-0.052,f=-0.52) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 1.85 (180deg=1.44) USER MOD Single : A 31 GLN : amide:sc= -0.441 K(o=-0.44,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.67) USER MOD Single : A 41 GLN : amide:sc= 1.26 K(o=1.3,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0122) USER MOD Single : A 49 GLN : amide:sc= 0.654 K(o=0.65,f=-6.2!) USER MOD Single : A 55 THR OG1 : rot -43:sc= 1.23 USER MOD Single : A 57 SER OG : rot 61:sc= 1.25 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.345 USER MOD Single : A 60 ASN : amide:sc= -0.0425 K(o=-0.043,f=-0.64) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 86:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.273 52.186 19.476 1.00 0.00 N ATOM 2 CA MET A 1 33.545 52.582 20.866 1.00 0.00 C ATOM 3 C MET A 1 35.041 52.817 21.090 1.00 0.00 C ATOM 4 O MET A 1 35.877 52.164 20.470 1.00 0.00 O ATOM 5 CB MET A 1 33.001 51.597 21.897 1.00 0.00 C ATOM 6 CG MET A 1 33.634 50.209 21.853 1.00 0.00 C ATOM 7 SD MET A 1 33.137 49.099 23.194 1.00 0.00 S ATOM 8 CE MET A 1 34.363 47.786 22.983 1.00 0.00 C ATOM 0 H1 MET A 1 32.250 52.230 19.296 1.00 0.00 H new ATOM 0 H2 MET A 1 33.767 52.832 18.828 1.00 0.00 H new ATOM 0 H3 MET A 1 33.610 51.215 19.319 1.00 0.00 H new ATOM 0 HA MET A 1 33.009 53.519 21.018 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.148 52.016 22.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.926 51.495 21.750 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.381 49.741 20.902 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.718 50.320 21.876 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.201 47.013 23.734 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.263 47.352 21.988 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.364 48.201 23.099 1.00 0.00 H new ATOM 20 N GLN A 2 35.373 53.684 22.042 1.00 0.00 N ATOM 21 CA GLN A 2 36.732 53.874 22.507 1.00 0.00 C ATOM 22 C GLN A 2 37.163 52.783 23.490 1.00 0.00 C ATOM 23 O GLN A 2 36.380 52.373 24.343 1.00 0.00 O ATOM 24 CB GLN A 2 36.868 55.235 23.185 1.00 0.00 C ATOM 25 CG GLN A 2 36.716 56.404 22.215 1.00 0.00 C ATOM 26 CD GLN A 2 36.837 57.741 22.949 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.886 58.377 23.012 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.779 58.213 23.602 1.00 0.00 N ATOM 0 H GLN A 2 34.693 54.279 22.515 1.00 0.00 H new ATOM 0 HA GLN A 2 37.380 53.820 21.632 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.116 55.321 23.969 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.842 55.297 23.670 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.479 56.340 21.439 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.749 56.345 21.716 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.893 57.709 23.570 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.853 59.079 24.135 1.00 0.00 H new ATOM 37 N ILE A 3 38.433 52.391 23.435 1.00 0.00 N ATOM 38 CA ILE A 3 39.146 51.735 24.512 1.00 0.00 C ATOM 39 C ILE A 3 40.517 52.384 24.715 1.00 0.00 C ATOM 40 O ILE A 3 41.105 52.905 23.770 1.00 0.00 O ATOM 41 CB ILE A 3 39.291 50.231 24.297 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.033 49.885 23.010 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.930 49.545 24.377 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.454 48.423 22.886 1.00 0.00 C ATOM 0 H ILE A 3 39.010 52.530 22.605 1.00 0.00 H new ATOM 0 HA ILE A 3 38.548 51.865 25.414 1.00 0.00 H new ATOM 0 HB ILE A 3 39.913 49.847 25.106 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.397 50.138 22.162 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.922 50.512 22.940 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.053 48.473 24.221 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.491 49.721 25.359 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.273 49.950 23.608 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.974 48.273 21.940 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.119 48.165 23.710 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.570 47.786 22.919 1.00 0.00 H new ATOM 56 N PHE A 4 41.054 52.308 25.929 1.00 0.00 N ATOM 57 CA PHE A 4 42.430 52.652 26.219 1.00 0.00 C ATOM 58 C PHE A 4 43.349 51.436 26.094 1.00 0.00 C ATOM 59 O PHE A 4 42.967 50.321 26.447 1.00 0.00 O ATOM 60 CB PHE A 4 42.560 53.271 27.609 1.00 0.00 C ATOM 61 CG PHE A 4 41.840 54.583 27.805 1.00 0.00 C ATOM 62 CD1 PHE A 4 42.376 55.758 27.264 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.662 54.636 28.559 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.737 56.984 27.478 1.00 0.00 C ATOM 65 CE2 PHE A 4 40.020 55.863 28.766 1.00 0.00 C ATOM 66 CZ PHE A 4 40.558 57.040 28.231 1.00 0.00 C ATOM 0 H PHE A 4 40.531 52.000 26.749 1.00 0.00 H new ATOM 0 HA PHE A 4 42.741 53.390 25.480 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.185 52.557 28.342 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.618 53.421 27.823 1.00 0.00 H new ATOM 0 HD1 PHE A 4 43.284 55.718 26.681 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.249 53.732 28.981 1.00 0.00 H new ATOM 0 HE1 PHE A 4 42.154 57.889 27.062 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.106 55.902 29.341 1.00 0.00 H new ATOM 0 HZ PHE A 4 40.066 57.987 28.398 1.00 0.00 H new ATOM 76 N VAL A 5 44.588 51.655 25.665 1.00 0.00 N ATOM 77 CA VAL A 5 45.666 50.688 25.723 1.00 0.00 C ATOM 78 C VAL A 5 46.896 51.368 26.327 1.00 0.00 C ATOM 79 O VAL A 5 47.269 52.448 25.874 1.00 0.00 O ATOM 80 CB VAL A 5 45.983 50.092 24.354 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.933 48.907 24.509 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.751 49.608 23.594 1.00 0.00 C ATOM 0 H VAL A 5 44.874 52.544 25.254 1.00 0.00 H new ATOM 0 HA VAL A 5 45.356 49.853 26.351 1.00 0.00 H new ATOM 0 HB VAL A 5 46.434 50.900 23.779 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.154 48.487 23.528 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.858 49.242 24.978 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.465 48.145 25.132 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.055 49.198 22.631 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.246 48.836 24.174 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.071 50.444 23.433 1.00 0.00 H new ATOM 92 N LYS A 6 47.526 50.769 27.333 1.00 0.00 N ATOM 93 CA LYS A 6 48.670 51.327 28.027 1.00 0.00 C ATOM 94 C LYS A 6 49.817 50.343 28.271 1.00 0.00 C ATOM 95 O LYS A 6 49.588 49.152 28.467 1.00 0.00 O ATOM 96 CB LYS A 6 48.227 52.028 29.308 1.00 0.00 C ATOM 97 CG LYS A 6 47.779 51.110 30.441 1.00 0.00 C ATOM 98 CD LYS A 6 47.157 51.890 31.595 1.00 0.00 C ATOM 99 CE LYS A 6 48.142 52.807 32.313 1.00 0.00 C ATOM 100 NZ LYS A 6 47.472 53.615 33.343 1.00 0.00 N ATOM 0 H LYS A 6 47.243 49.858 27.694 1.00 0.00 H new ATOM 0 HA LYS A 6 49.099 52.066 27.351 1.00 0.00 H new ATOM 0 HB2 LYS A 6 49.051 52.644 29.668 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.407 52.704 29.066 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.056 50.389 30.059 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.634 50.541 30.807 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.329 52.487 31.214 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.738 51.186 32.314 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.929 52.209 32.773 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.623 53.464 31.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.170 54.227 33.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.738 54.203 32.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.034 52.987 34.047 1.00 0.00 H new ATOM 114 N THR A 7 51.046 50.851 28.277 1.00 0.00 N ATOM 115 CA THR A 7 52.243 50.102 28.604 1.00 0.00 C ATOM 116 C THR A 7 52.579 50.162 30.095 1.00 0.00 C ATOM 117 O THR A 7 52.136 51.052 30.817 1.00 0.00 O ATOM 118 CB THR A 7 53.433 50.585 27.779 1.00 0.00 C ATOM 119 OG1 THR A 7 53.665 51.960 27.986 1.00 0.00 O ATOM 120 CG2 THR A 7 53.236 50.361 26.283 1.00 0.00 C ATOM 0 H THR A 7 51.236 51.826 28.046 1.00 0.00 H new ATOM 0 HA THR A 7 52.036 49.061 28.355 1.00 0.00 H new ATOM 0 HB THR A 7 54.287 49.997 28.116 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.433 52.247 27.449 1.00 0.00 H new ATOM 0 HG21 THR A 7 54.111 50.722 25.743 1.00 0.00 H new ATOM 0 HG22 THR A 7 53.103 49.297 26.089 1.00 0.00 H new ATOM 0 HG23 THR A 7 52.353 50.904 25.947 1.00 0.00 H new ATOM 128 N LEU A 8 53.399 49.235 30.582 1.00 0.00 N ATOM 129 CA LEU A 8 53.875 49.202 31.950 1.00 0.00 C ATOM 130 C LEU A 8 54.816 50.360 32.285 1.00 0.00 C ATOM 131 O LEU A 8 54.881 50.781 33.438 1.00 0.00 O ATOM 132 CB LEU A 8 54.535 47.855 32.231 1.00 0.00 C ATOM 133 CG LEU A 8 53.655 46.625 32.026 1.00 0.00 C ATOM 134 CD1 LEU A 8 54.431 45.372 32.424 1.00 0.00 C ATOM 135 CD2 LEU A 8 52.364 46.655 32.840 1.00 0.00 C ATOM 0 H LEU A 8 53.757 48.467 30.015 1.00 0.00 H new ATOM 0 HA LEU A 8 53.010 49.326 32.601 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.412 47.761 31.590 1.00 0.00 H new ATOM 0 HB3 LEU A 8 54.892 47.855 33.261 1.00 0.00 H new ATOM 0 HG LEU A 8 53.383 46.620 30.970 1.00 0.00 H new ATOM 0 HD11 LEU A 8 53.803 44.493 32.278 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.325 45.286 31.806 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.720 45.441 33.473 1.00 0.00 H new ATOM 0 HD21 LEU A 8 51.789 45.750 32.644 1.00 0.00 H new ATOM 0 HD22 LEU A 8 52.605 46.710 33.902 1.00 0.00 H new ATOM 0 HD23 LEU A 8 51.775 47.527 32.556 1.00 0.00 H new ATOM 147 N THR A 9 55.487 50.931 31.288 1.00 0.00 N ATOM 148 CA THR A 9 56.205 52.188 31.353 1.00 0.00 C ATOM 149 C THR A 9 55.313 53.426 31.238 1.00 0.00 C ATOM 150 O THR A 9 55.805 54.552 31.252 1.00 0.00 O ATOM 151 CB THR A 9 57.334 52.237 30.327 1.00 0.00 C ATOM 152 OG1 THR A 9 56.890 51.806 29.060 1.00 0.00 O ATOM 153 CG2 THR A 9 58.502 51.340 30.727 1.00 0.00 C ATOM 0 H THR A 9 55.544 50.500 30.365 1.00 0.00 H new ATOM 0 HA THR A 9 56.633 52.221 32.355 1.00 0.00 H new ATOM 0 HB THR A 9 57.659 53.277 30.287 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.632 51.849 28.421 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.285 51.403 29.971 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.899 51.666 31.688 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.158 50.309 30.808 1.00 0.00 H new ATOM 161 N GLY A 10 53.997 53.250 31.170 1.00 0.00 N ATOM 162 CA GLY A 10 53.012 54.274 31.447 1.00 0.00 C ATOM 163 C GLY A 10 52.425 55.011 30.241 1.00 0.00 C ATOM 164 O GLY A 10 51.569 55.869 30.442 1.00 0.00 O ATOM 0 H GLY A 10 53.579 52.356 30.911 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.191 53.815 31.998 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.466 55.012 32.108 1.00 0.00 H new ATOM 168 N LYS A 11 52.830 54.706 29.011 1.00 0.00 N ATOM 169 CA LYS A 11 52.359 55.402 27.831 1.00 0.00 C ATOM 170 C LYS A 11 50.987 54.883 27.393 1.00 0.00 C ATOM 171 O LYS A 11 50.887 53.755 26.915 1.00 0.00 O ATOM 172 CB LYS A 11 53.412 55.329 26.729 1.00 0.00 C ATOM 173 CG LYS A 11 53.118 56.288 25.579 1.00 0.00 C ATOM 174 CD LYS A 11 54.150 56.127 24.466 1.00 0.00 C ATOM 175 CE LYS A 11 53.902 57.114 23.330 1.00 0.00 C ATOM 176 NZ LYS A 11 54.712 56.776 22.150 1.00 0.00 N ATOM 0 H LYS A 11 53.499 53.963 28.810 1.00 0.00 H new ATOM 0 HA LYS A 11 52.214 56.456 28.067 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.391 55.560 27.150 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.462 54.310 26.345 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.119 56.098 25.186 1.00 0.00 H new ATOM 0 HG3 LYS A 11 53.126 57.315 25.944 1.00 0.00 H new ATOM 0 HD2 LYS A 11 55.151 56.280 24.871 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.114 55.108 24.079 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.845 57.109 23.063 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.142 58.124 23.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.602 57.518 21.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.713 56.705 22.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.395 55.866 21.760 1.00 0.00 H new ATOM 190 N THR A 12 49.953 55.709 27.520 1.00 0.00 N ATOM 191 CA THR A 12 48.580 55.383 27.193 1.00 0.00 C ATOM 192 C THR A 12 48.168 55.948 25.832 1.00 0.00 C ATOM 193 O THR A 12 48.572 57.047 25.457 1.00 0.00 O ATOM 194 CB THR A 12 47.633 55.847 28.296 1.00 0.00 C ATOM 195 OG1 THR A 12 47.996 55.218 29.505 1.00 0.00 O ATOM 196 CG2 THR A 12 46.169 55.499 28.051 1.00 0.00 C ATOM 0 H THR A 12 50.060 56.662 27.868 1.00 0.00 H new ATOM 0 HA THR A 12 48.510 54.298 27.122 1.00 0.00 H new ATOM 0 HB THR A 12 47.724 56.933 28.325 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.394 55.512 30.220 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.564 55.864 28.881 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.834 55.966 27.125 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.061 54.417 27.971 1.00 0.00 H new ATOM 204 N ILE A 13 47.333 55.216 25.100 1.00 0.00 N ATOM 205 CA ILE A 13 46.678 55.610 23.870 1.00 0.00 C ATOM 206 C ILE A 13 45.194 55.238 23.882 1.00 0.00 C ATOM 207 O ILE A 13 44.787 54.361 24.640 1.00 0.00 O ATOM 208 CB ILE A 13 47.362 55.003 22.647 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.516 53.489 22.749 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.703 55.689 22.403 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.741 52.772 21.420 1.00 0.00 C ATOM 0 H ILE A 13 47.083 54.266 25.376 1.00 0.00 H new ATOM 0 HA ILE A 13 46.761 56.695 23.803 1.00 0.00 H new ATOM 0 HB ILE A 13 46.716 55.180 21.787 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.354 53.268 23.410 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.622 53.079 23.219 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.183 55.249 21.529 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.541 56.753 22.231 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.344 55.555 23.274 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.838 51.701 21.596 1.00 0.00 H new ATOM 0 HD12 ILE A 13 46.893 52.955 20.760 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.652 53.147 20.954 1.00 0.00 H new ATOM 223 N THR A 14 44.401 55.852 23.009 1.00 0.00 N ATOM 224 CA THR A 14 43.040 55.469 22.689 1.00 0.00 C ATOM 225 C THR A 14 42.976 54.733 21.349 1.00 0.00 C ATOM 226 O THR A 14 43.727 55.041 20.426 1.00 0.00 O ATOM 227 CB THR A 14 42.120 56.687 22.686 1.00 0.00 C ATOM 228 OG1 THR A 14 41.971 57.162 24.006 1.00 0.00 O ATOM 229 CG2 THR A 14 40.714 56.442 22.148 1.00 0.00 C ATOM 0 H THR A 14 44.710 56.669 22.483 1.00 0.00 H new ATOM 0 HA THR A 14 42.693 54.784 23.463 1.00 0.00 H new ATOM 0 HB THR A 14 42.606 57.398 22.017 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.166 56.439 24.638 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.142 57.369 22.189 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.774 56.098 21.115 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.219 55.683 22.755 1.00 0.00 H new ATOM 237 N LEU A 15 42.062 53.773 21.238 1.00 0.00 N ATOM 238 CA LEU A 15 41.784 53.005 20.041 1.00 0.00 C ATOM 239 C LEU A 15 40.280 52.936 19.767 1.00 0.00 C ATOM 240 O LEU A 15 39.489 52.875 20.707 1.00 0.00 O ATOM 241 CB LEU A 15 42.380 51.615 20.233 1.00 0.00 C ATOM 242 CG LEU A 15 42.850 50.950 18.942 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.159 51.563 18.450 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.084 49.465 19.207 1.00 0.00 C ATOM 0 H LEU A 15 41.469 53.501 22.022 1.00 0.00 H new ATOM 0 HA LEU A 15 42.234 53.485 19.172 1.00 0.00 H new ATOM 0 HB2 LEU A 15 43.224 51.686 20.920 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.636 50.975 20.707 1.00 0.00 H new ATOM 0 HG LEU A 15 42.083 51.098 18.181 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.469 51.069 17.529 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.014 52.627 18.260 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.930 51.432 19.209 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.420 48.980 18.290 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.845 49.349 19.979 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.154 49.004 19.541 1.00 0.00 H new ATOM 256 N GLU A 16 39.885 52.896 18.498 1.00 0.00 N ATOM 257 CA GLU A 16 38.509 52.778 18.060 1.00 0.00 C ATOM 258 C GLU A 16 38.189 51.340 17.646 1.00 0.00 C ATOM 259 O GLU A 16 38.812 50.788 16.742 1.00 0.00 O ATOM 260 CB GLU A 16 38.268 53.801 16.952 1.00 0.00 C ATOM 261 CG GLU A 16 36.878 53.771 16.322 1.00 0.00 C ATOM 262 CD GLU A 16 35.776 54.207 17.289 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.666 55.420 17.569 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.981 53.342 17.714 1.00 0.00 O ATOM 0 H GLU A 16 40.544 52.947 17.721 1.00 0.00 H new ATOM 0 HA GLU A 16 37.823 53.000 18.877 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.443 54.798 17.357 1.00 0.00 H new ATOM 0 HB3 GLU A 16 39.007 53.642 16.167 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.867 54.423 15.448 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.666 52.762 15.969 1.00 0.00 H new ATOM 271 N VAL A 17 37.231 50.709 18.321 1.00 0.00 N ATOM 272 CA VAL A 17 36.902 49.304 18.198 1.00 0.00 C ATOM 273 C VAL A 17 35.396 49.045 18.289 1.00 0.00 C ATOM 274 O VAL A 17 34.658 49.845 18.859 1.00 0.00 O ATOM 275 CB VAL A 17 37.621 48.466 19.251 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.141 48.535 19.134 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.223 48.836 20.677 1.00 0.00 C ATOM 0 H VAL A 17 36.640 51.192 18.998 1.00 0.00 H new ATOM 0 HA VAL A 17 37.241 49.005 17.206 1.00 0.00 H new ATOM 0 HB VAL A 17 37.299 47.445 19.046 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.594 47.918 19.910 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.448 48.168 18.154 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.469 49.568 19.254 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.767 48.207 21.381 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.466 49.882 20.863 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.151 48.684 20.807 1.00 0.00 H new ATOM 287 N GLU A 18 34.939 47.891 17.812 1.00 0.00 N ATOM 288 CA GLU A 18 33.639 47.341 18.140 1.00 0.00 C ATOM 289 C GLU A 18 33.786 46.077 18.990 1.00 0.00 C ATOM 290 O GLU A 18 34.777 45.370 18.823 1.00 0.00 O ATOM 291 CB GLU A 18 32.823 47.057 16.881 1.00 0.00 C ATOM 292 CG GLU A 18 32.451 48.291 16.063 1.00 0.00 C ATOM 293 CD GLU A 18 31.589 49.286 16.842 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.405 48.999 17.121 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.087 50.374 17.202 1.00 0.00 O ATOM 0 H GLU A 18 35.477 47.305 17.174 1.00 0.00 H new ATOM 0 HA GLU A 18 33.099 48.086 18.724 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.388 46.375 16.246 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.907 46.540 17.168 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.362 48.789 15.732 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.915 47.978 15.167 1.00 0.00 H new ATOM 302 N PRO A 19 32.844 45.717 19.857 1.00 0.00 N ATOM 303 CA PRO A 19 32.968 44.563 20.723 1.00 0.00 C ATOM 304 C PRO A 19 33.148 43.201 20.048 1.00 0.00 C ATOM 305 O PRO A 19 33.439 42.216 20.721 1.00 0.00 O ATOM 306 CB PRO A 19 31.722 44.546 21.605 1.00 0.00 C ATOM 307 CG PRO A 19 31.289 46.009 21.629 1.00 0.00 C ATOM 308 CD PRO A 19 31.672 46.483 20.230 1.00 0.00 C ATOM 0 HA PRO A 19 33.901 44.687 21.272 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.945 43.903 21.191 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.943 44.175 22.606 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.220 46.114 21.816 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.805 46.573 22.405 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.857 46.318 19.525 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.886 47.552 20.225 1.00 0.00 H new ATOM 316 N SER A 20 32.969 43.129 18.732 1.00 0.00 N ATOM 317 CA SER A 20 33.180 41.960 17.903 1.00 0.00 C ATOM 318 C SER A 20 34.554 41.875 17.234 1.00 0.00 C ATOM 319 O SER A 20 34.825 40.878 16.570 1.00 0.00 O ATOM 320 CB SER A 20 32.063 41.864 16.867 1.00 0.00 C ATOM 321 OG SER A 20 31.833 43.105 16.240 1.00 0.00 O ATOM 0 H SER A 20 32.655 43.934 18.191 1.00 0.00 H new ATOM 0 HA SER A 20 33.155 41.105 18.578 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.325 41.119 16.116 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.147 41.523 17.349 1.00 0.00 H new ATOM 0 HG SER A 20 31.114 43.010 15.581 1.00 0.00 H new ATOM 327 N ASP A 21 35.429 42.864 17.390 1.00 0.00 N ATOM 328 CA ASP A 21 36.752 42.848 16.800 1.00 0.00 C ATOM 329 C ASP A 21 37.608 41.711 17.362 1.00 0.00 C ATOM 330 O ASP A 21 37.677 41.532 18.575 1.00 0.00 O ATOM 331 CB ASP A 21 37.452 44.188 17.005 1.00 0.00 C ATOM 332 CG ASP A 21 36.863 45.361 16.217 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.243 46.518 16.501 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.098 45.160 15.250 1.00 0.00 O ATOM 0 H ASP A 21 35.232 43.703 17.935 1.00 0.00 H new ATOM 0 HA ASP A 21 36.628 42.676 15.731 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.425 44.435 18.066 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.501 44.077 16.730 1.00 0.00 H new ATOM 339 N THR A 22 38.288 40.958 16.501 1.00 0.00 N ATOM 340 CA THR A 22 39.222 39.915 16.875 1.00 0.00 C ATOM 341 C THR A 22 40.610 40.452 17.228 1.00 0.00 C ATOM 342 O THR A 22 40.930 41.609 16.964 1.00 0.00 O ATOM 343 CB THR A 22 39.301 38.800 15.836 1.00 0.00 C ATOM 344 OG1 THR A 22 39.487 39.294 14.529 1.00 0.00 O ATOM 345 CG2 THR A 22 38.020 37.973 15.793 1.00 0.00 C ATOM 0 H THR A 22 38.196 41.066 15.491 1.00 0.00 H new ATOM 0 HA THR A 22 38.817 39.477 17.787 1.00 0.00 H new ATOM 0 HB THR A 22 40.154 38.195 16.144 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.395 39.083 14.226 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.117 37.190 15.041 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.847 37.519 16.769 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.179 38.618 15.539 1.00 0.00 H new ATOM 353 N ILE A 23 41.431 39.649 17.899 1.00 0.00 N ATOM 354 CA ILE A 23 42.628 40.120 18.567 1.00 0.00 C ATOM 355 C ILE A 23 43.678 40.629 17.577 1.00 0.00 C ATOM 356 O ILE A 23 44.261 41.691 17.779 1.00 0.00 O ATOM 357 CB ILE A 23 43.199 39.058 19.503 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.178 38.316 20.359 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.279 39.666 20.394 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.153 39.167 21.106 1.00 0.00 C ATOM 0 H ILE A 23 41.278 38.645 17.992 1.00 0.00 H new ATOM 0 HA ILE A 23 42.337 40.973 19.180 1.00 0.00 H new ATOM 0 HB ILE A 23 43.618 38.301 18.840 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.638 37.621 19.716 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.720 37.718 21.091 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.678 38.898 21.057 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.082 40.063 19.773 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.849 40.471 20.989 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.487 38.518 21.676 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.669 39.845 21.786 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.570 39.746 20.390 1.00 0.00 H new ATOM 372 N GLU A 24 43.903 39.922 16.473 1.00 0.00 N ATOM 373 CA GLU A 24 44.897 40.307 15.491 1.00 0.00 C ATOM 374 C GLU A 24 44.532 41.582 14.727 1.00 0.00 C ATOM 375 O GLU A 24 45.404 42.392 14.422 1.00 0.00 O ATOM 376 CB GLU A 24 45.248 39.128 14.588 1.00 0.00 C ATOM 377 CG GLU A 24 44.309 38.824 13.425 1.00 0.00 C ATOM 378 CD GLU A 24 42.896 38.440 13.868 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.016 39.326 13.919 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.636 37.248 14.144 1.00 0.00 O ATOM 0 H GLU A 24 43.398 39.067 16.239 1.00 0.00 H new ATOM 0 HA GLU A 24 45.805 40.575 16.031 1.00 0.00 H new ATOM 0 HB2 GLU A 24 46.243 39.303 14.179 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.311 38.235 15.211 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.253 39.697 12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.729 38.012 12.832 1.00 0.00 H new ATOM 387 N ASN A 25 43.242 41.804 14.494 1.00 0.00 N ATOM 388 CA ASN A 25 42.699 43.028 13.940 1.00 0.00 C ATOM 389 C ASN A 25 42.975 44.237 14.836 1.00 0.00 C ATOM 390 O ASN A 25 43.308 45.308 14.331 1.00 0.00 O ATOM 391 CB ASN A 25 41.205 42.822 13.709 1.00 0.00 C ATOM 392 CG ASN A 25 40.578 43.963 12.905 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.910 44.846 13.437 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.787 43.961 11.592 1.00 0.00 N ATOM 0 H ASN A 25 42.524 41.107 14.695 1.00 0.00 H new ATOM 0 HA ASN A 25 43.191 43.248 12.993 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.048 41.881 13.183 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.699 42.738 14.671 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.390 44.700 11.011 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.344 43.221 11.165 1.00 0.00 H new ATOM 401 N VAL A 26 42.908 44.067 16.153 1.00 0.00 N ATOM 402 CA VAL A 26 43.233 45.093 17.125 1.00 0.00 C ATOM 403 C VAL A 26 44.740 45.336 17.222 1.00 0.00 C ATOM 404 O VAL A 26 45.148 46.495 17.231 1.00 0.00 O ATOM 405 CB VAL A 26 42.583 44.796 18.473 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.114 45.668 19.607 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.083 45.052 18.366 1.00 0.00 C ATOM 0 H VAL A 26 42.618 43.187 16.580 1.00 0.00 H new ATOM 0 HA VAL A 26 42.809 46.034 16.775 1.00 0.00 H new ATOM 0 HB VAL A 26 42.816 43.757 18.707 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.609 45.404 20.536 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.186 45.507 19.718 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.927 46.717 19.378 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.609 44.842 19.325 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.910 46.094 18.096 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.657 44.403 17.601 1.00 0.00 H new ATOM 417 N LYS A 27 45.583 44.308 17.175 1.00 0.00 N ATOM 418 CA LYS A 27 47.016 44.500 17.082 1.00 0.00 C ATOM 419 C LYS A 27 47.420 45.295 15.840 1.00 0.00 C ATOM 420 O LYS A 27 48.299 46.151 15.914 1.00 0.00 O ATOM 421 CB LYS A 27 47.763 43.170 17.117 1.00 0.00 C ATOM 422 CG LYS A 27 47.688 42.460 18.467 1.00 0.00 C ATOM 423 CD LYS A 27 48.462 41.145 18.423 1.00 0.00 C ATOM 424 CE LYS A 27 48.343 40.403 19.751 1.00 0.00 C ATOM 425 NZ LYS A 27 48.846 39.026 19.624 1.00 0.00 N ATOM 0 H LYS A 27 45.290 43.331 17.200 1.00 0.00 H new ATOM 0 HA LYS A 27 47.300 45.084 17.957 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.355 42.514 16.348 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.809 43.344 16.865 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.097 43.103 19.246 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.647 42.268 18.726 1.00 0.00 H new ATOM 0 HD2 LYS A 27 48.080 40.520 17.616 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.511 41.342 18.204 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.906 40.932 20.520 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.302 40.387 20.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.756 38.538 20.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.292 38.519 18.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.846 39.047 19.339 1.00 0.00 H new ATOM 439 N ALA A 28 46.739 45.074 14.720 1.00 0.00 N ATOM 440 CA ALA A 28 46.930 45.842 13.505 1.00 0.00 C ATOM 441 C ALA A 28 46.480 47.299 13.635 1.00 0.00 C ATOM 442 O ALA A 28 47.210 48.194 13.212 1.00 0.00 O ATOM 443 CB ALA A 28 46.228 45.099 12.372 1.00 0.00 C ATOM 0 H ALA A 28 46.030 44.345 14.635 1.00 0.00 H new ATOM 0 HA ALA A 28 47.995 45.920 13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.353 45.652 11.441 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.663 44.105 12.264 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.166 45.008 12.600 1.00 0.00 H new ATOM 449 N LYS A 29 45.360 47.569 14.298 1.00 0.00 N ATOM 450 CA LYS A 29 44.938 48.910 14.649 1.00 0.00 C ATOM 451 C LYS A 29 45.967 49.626 15.527 1.00 0.00 C ATOM 452 O LYS A 29 46.195 50.820 15.349 1.00 0.00 O ATOM 453 CB LYS A 29 43.583 48.894 15.351 1.00 0.00 C ATOM 454 CG LYS A 29 42.385 48.594 14.457 1.00 0.00 C ATOM 455 CD LYS A 29 41.114 48.450 15.289 1.00 0.00 C ATOM 456 CE LYS A 29 39.901 48.276 14.379 1.00 0.00 C ATOM 457 NZ LYS A 29 38.630 48.401 15.108 1.00 0.00 N ATOM 0 H LYS A 29 44.712 46.845 14.610 1.00 0.00 H new ATOM 0 HA LYS A 29 44.849 49.463 13.714 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.615 48.151 16.148 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.427 49.863 15.825 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.260 49.394 13.728 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.564 47.677 13.896 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.203 47.592 15.955 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.982 49.330 15.918 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.936 49.022 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.947 47.298 13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.852 48.530 14.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.464 47.539 15.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.674 49.222 15.745 1.00 0.00 H new ATOM 471 N ILE A 30 46.619 48.914 16.442 1.00 0.00 N ATOM 472 CA ILE A 30 47.662 49.439 17.300 1.00 0.00 C ATOM 473 C ILE A 30 48.932 49.767 16.511 1.00 0.00 C ATOM 474 O ILE A 30 49.559 50.780 16.809 1.00 0.00 O ATOM 475 CB ILE A 30 47.906 48.508 18.484 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.697 48.532 19.414 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.169 48.870 19.262 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.672 47.402 20.441 1.00 0.00 C ATOM 0 H ILE A 30 46.426 47.926 16.607 1.00 0.00 H new ATOM 0 HA ILE A 30 47.324 50.388 17.715 1.00 0.00 H new ATOM 0 HB ILE A 30 48.052 47.504 18.085 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.677 49.486 19.940 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.789 48.481 18.812 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.295 48.177 20.093 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.034 48.806 18.602 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.081 49.886 19.647 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.780 47.494 21.061 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.658 46.442 19.925 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.560 47.463 21.071 1.00 0.00 H new ATOM 490 N GLN A 31 49.291 49.013 15.475 1.00 0.00 N ATOM 491 CA GLN A 31 50.390 49.399 14.613 1.00 0.00 C ATOM 492 C GLN A 31 50.091 50.688 13.845 1.00 0.00 C ATOM 493 O GLN A 31 50.976 51.533 13.726 1.00 0.00 O ATOM 494 CB GLN A 31 50.799 48.275 13.667 1.00 0.00 C ATOM 495 CG GLN A 31 52.094 48.650 12.951 1.00 0.00 C ATOM 496 CD GLN A 31 52.719 47.555 12.085 1.00 0.00 C ATOM 497 OE1 GLN A 31 52.130 46.522 11.773 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.969 47.752 11.678 1.00 0.00 N ATOM 0 H GLN A 31 48.836 48.137 15.218 1.00 0.00 H new ATOM 0 HA GLN A 31 51.239 49.598 15.266 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.936 47.349 14.225 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.009 48.094 12.938 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.900 49.518 12.321 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.825 48.956 13.699 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.460 48.608 11.935 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.437 47.047 11.108 1.00 0.00 H new ATOM 507 N ASP A 32 48.865 50.891 13.372 1.00 0.00 N ATOM 508 CA ASP A 32 48.468 52.135 12.743 1.00 0.00 C ATOM 509 C ASP A 32 48.473 53.320 13.712 1.00 0.00 C ATOM 510 O ASP A 32 48.822 54.428 13.313 1.00 0.00 O ATOM 511 CB ASP A 32 47.117 51.946 12.060 1.00 0.00 C ATOM 512 CG ASP A 32 46.671 53.212 11.326 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.241 53.542 10.263 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.752 53.890 11.832 1.00 0.00 O ATOM 0 H ASP A 32 48.122 50.194 13.417 1.00 0.00 H new ATOM 0 HA ASP A 32 49.211 52.389 11.987 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.179 51.119 11.353 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.368 51.674 12.804 1.00 0.00 H new ATOM 519 N LYS A 33 48.160 53.102 14.986 1.00 0.00 N ATOM 520 CA LYS A 33 48.197 54.118 16.018 1.00 0.00 C ATOM 521 C LYS A 33 49.612 54.478 16.477 1.00 0.00 C ATOM 522 O LYS A 33 49.925 55.663 16.574 1.00 0.00 O ATOM 523 CB LYS A 33 47.293 53.696 17.173 1.00 0.00 C ATOM 524 CG LYS A 33 47.060 54.749 18.252 1.00 0.00 C ATOM 525 CD LYS A 33 46.287 56.000 17.845 1.00 0.00 C ATOM 526 CE LYS A 33 44.849 55.688 17.441 1.00 0.00 C ATOM 527 NZ LYS A 33 44.072 56.917 17.222 1.00 0.00 N ATOM 0 H LYS A 33 47.867 52.188 15.332 1.00 0.00 H new ATOM 0 HA LYS A 33 47.815 55.044 15.589 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.326 53.402 16.764 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.723 52.811 17.642 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.528 54.276 19.077 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.031 55.061 18.636 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.283 56.708 18.674 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.798 56.486 17.014 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.848 55.088 16.531 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.373 55.089 18.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.100 56.669 16.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.053 57.477 18.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.513 57.476 16.464 1.00 0.00 H new ATOM 541 N GLU A 34 50.465 53.500 16.767 1.00 0.00 N ATOM 542 CA GLU A 34 51.718 53.670 17.476 1.00 0.00 C ATOM 543 C GLU A 34 52.969 53.106 16.800 1.00 0.00 C ATOM 544 O GLU A 34 54.065 53.320 17.314 1.00 0.00 O ATOM 545 CB GLU A 34 51.581 53.099 18.884 1.00 0.00 C ATOM 546 CG GLU A 34 51.222 54.156 19.925 1.00 0.00 C ATOM 547 CD GLU A 34 52.392 55.093 20.230 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.349 54.683 20.922 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.377 56.254 19.769 1.00 0.00 O ATOM 0 H GLU A 34 50.290 52.531 16.502 1.00 0.00 H new ATOM 0 HA GLU A 34 51.889 54.747 17.486 1.00 0.00 H new ATOM 0 HB2 GLU A 34 50.815 52.324 18.883 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.518 52.620 19.169 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.375 54.741 19.568 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.905 53.664 20.844 1.00 0.00 H new ATOM 556 N GLY A 35 52.869 52.417 15.667 1.00 0.00 N ATOM 557 CA GLY A 35 54.027 51.976 14.915 1.00 0.00 C ATOM 558 C GLY A 35 54.771 50.764 15.479 1.00 0.00 C ATOM 559 O GLY A 35 55.946 50.574 15.170 1.00 0.00 O ATOM 0 H GLY A 35 51.978 52.151 15.248 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.708 51.741 13.899 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.728 52.808 14.845 1.00 0.00 H new ATOM 563 N ILE A 36 54.114 49.954 16.304 1.00 0.00 N ATOM 564 CA ILE A 36 54.639 48.739 16.893 1.00 0.00 C ATOM 565 C ILE A 36 54.044 47.536 16.160 1.00 0.00 C ATOM 566 O ILE A 36 52.831 47.351 16.235 1.00 0.00 O ATOM 567 CB ILE A 36 54.351 48.692 18.391 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.940 49.891 19.128 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.893 47.400 18.996 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.489 50.023 20.580 1.00 0.00 C ATOM 0 H ILE A 36 53.153 50.142 16.590 1.00 0.00 H new ATOM 0 HA ILE A 36 55.723 48.715 16.783 1.00 0.00 H new ATOM 0 HB ILE A 36 53.268 48.727 18.510 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.027 49.819 19.103 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.669 50.801 18.592 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.680 47.381 20.065 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.416 46.545 18.516 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.971 47.349 18.840 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.955 50.901 21.027 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.405 50.130 20.616 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.785 49.133 21.135 1.00 0.00 H new ATOM 582 N PRO A 37 54.820 46.700 15.478 1.00 0.00 N ATOM 583 CA PRO A 37 54.309 45.555 14.750 1.00 0.00 C ATOM 584 C PRO A 37 53.620 44.504 15.623 1.00 0.00 C ATOM 585 O PRO A 37 54.073 44.270 16.741 1.00 0.00 O ATOM 586 CB PRO A 37 55.498 44.954 14.006 1.00 0.00 C ATOM 587 CG PRO A 37 56.456 46.131 13.850 1.00 0.00 C ATOM 588 CD PRO A 37 56.209 46.923 15.131 1.00 0.00 C ATOM 0 HA PRO A 37 53.522 45.891 14.074 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.953 44.139 14.569 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.202 44.547 13.039 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.492 45.804 13.768 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.236 46.719 12.959 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.869 46.587 15.931 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.407 47.984 14.978 1.00 0.00 H new ATOM 596 N PRO A 38 52.584 43.821 15.144 1.00 0.00 N ATOM 597 CA PRO A 38 51.847 42.827 15.898 1.00 0.00 C ATOM 598 C PRO A 38 52.687 41.707 16.517 1.00 0.00 C ATOM 599 O PRO A 38 52.376 41.262 17.620 1.00 0.00 O ATOM 600 CB PRO A 38 50.833 42.226 14.928 1.00 0.00 C ATOM 601 CG PRO A 38 50.535 43.400 13.999 1.00 0.00 C ATOM 602 CD PRO A 38 51.893 44.089 13.900 1.00 0.00 C ATOM 0 HA PRO A 38 51.398 43.328 16.756 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.244 41.374 14.387 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.937 41.876 15.441 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.176 43.067 13.025 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.773 44.061 14.411 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.460 43.707 13.051 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.773 45.161 13.746 1.00 0.00 H new ATOM 610 N ASP A 39 53.771 41.282 15.876 1.00 0.00 N ATOM 611 CA ASP A 39 54.635 40.240 16.392 1.00 0.00 C ATOM 612 C ASP A 39 55.443 40.644 17.627 1.00 0.00 C ATOM 613 O ASP A 39 56.090 39.797 18.236 1.00 0.00 O ATOM 614 CB ASP A 39 55.536 39.688 15.291 1.00 0.00 C ATOM 615 CG ASP A 39 56.708 40.595 14.914 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.472 41.613 14.227 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.863 40.264 15.259 1.00 0.00 O ATOM 0 H ASP A 39 54.072 41.658 14.977 1.00 0.00 H new ATOM 0 HA ASP A 39 53.970 39.448 16.737 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.929 38.723 15.611 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.932 39.508 14.402 1.00 0.00 H new ATOM 622 N GLN A 40 55.391 41.917 18.013 1.00 0.00 N ATOM 623 CA GLN A 40 55.995 42.477 19.204 1.00 0.00 C ATOM 624 C GLN A 40 54.978 42.744 20.316 1.00 0.00 C ATOM 625 O GLN A 40 55.389 43.098 21.419 1.00 0.00 O ATOM 626 CB GLN A 40 56.756 43.748 18.836 1.00 0.00 C ATOM 627 CG GLN A 40 57.804 43.574 17.740 1.00 0.00 C ATOM 628 CD GLN A 40 58.474 44.894 17.352 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.441 45.888 18.074 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.114 44.973 16.189 1.00 0.00 N ATOM 0 H GLN A 40 54.895 42.621 17.466 1.00 0.00 H new ATOM 0 HA GLN A 40 56.689 41.738 19.605 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.039 44.504 18.516 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.247 44.132 19.730 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.565 42.870 18.078 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.334 43.137 16.859 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.155 44.161 15.573 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.564 45.846 15.913 1.00 0.00 H new ATOM 639 N GLN A 41 53.678 42.587 20.084 1.00 0.00 N ATOM 640 CA GLN A 41 52.618 42.956 21.001 1.00 0.00 C ATOM 641 C GLN A 41 52.025 41.755 21.741 1.00 0.00 C ATOM 642 O GLN A 41 51.498 40.847 21.103 1.00 0.00 O ATOM 643 CB GLN A 41 51.483 43.642 20.246 1.00 0.00 C ATOM 644 CG GLN A 41 51.810 44.936 19.506 1.00 0.00 C ATOM 645 CD GLN A 41 50.573 45.467 18.778 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.443 45.331 19.243 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.702 46.070 17.600 1.00 0.00 N ATOM 0 H GLN A 41 53.326 42.183 19.216 1.00 0.00 H new ATOM 0 HA GLN A 41 53.072 43.625 21.732 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.083 42.932 19.522 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.685 43.854 20.958 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.172 45.683 20.212 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.612 44.759 18.790 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.628 46.196 17.190 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.875 46.406 17.106 1.00 0.00 H new ATOM 656 N ARG A 42 52.012 41.776 23.071 1.00 0.00 N ATOM 657 CA ARG A 42 51.144 40.968 23.903 1.00 0.00 C ATOM 658 C ARG A 42 50.024 41.850 24.461 1.00 0.00 C ATOM 659 O ARG A 42 50.325 42.866 25.083 1.00 0.00 O ATOM 660 CB ARG A 42 51.913 40.327 25.055 1.00 0.00 C ATOM 661 CG ARG A 42 53.065 39.409 24.658 1.00 0.00 C ATOM 662 CD ARG A 42 53.739 38.854 25.910 1.00 0.00 C ATOM 663 NE ARG A 42 54.737 37.826 25.612 1.00 0.00 N ATOM 664 CZ ARG A 42 54.483 36.565 25.238 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.233 36.111 25.075 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.489 35.710 25.006 1.00 0.00 N ATOM 0 H ARG A 42 52.630 42.380 23.612 1.00 0.00 H new ATOM 0 HA ARG A 42 50.727 40.167 23.292 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.308 41.121 25.689 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.211 39.755 25.661 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.694 38.591 24.041 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.790 39.959 24.057 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.217 39.671 26.452 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.979 38.435 26.570 1.00 0.00 H new ATOM 0 HE ARG A 42 55.717 38.095 25.697 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.440 36.732 25.237 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.075 35.145 24.789 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.455 36.018 25.114 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.288 34.751 24.722 1.00 0.00 H new ATOM 680 N LEU A 43 48.760 41.488 24.262 1.00 0.00 N ATOM 681 CA LEU A 43 47.614 42.224 24.753 1.00 0.00 C ATOM 682 C LEU A 43 46.934 41.500 25.916 1.00 0.00 C ATOM 683 O LEU A 43 46.646 40.309 25.817 1.00 0.00 O ATOM 684 CB LEU A 43 46.623 42.500 23.626 1.00 0.00 C ATOM 685 CG LEU A 43 47.148 43.306 22.440 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.004 43.535 21.456 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.706 44.668 22.841 1.00 0.00 C ATOM 0 H LEU A 43 48.504 40.650 23.739 1.00 0.00 H new ATOM 0 HA LEU A 43 47.975 43.180 25.132 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.255 41.544 23.253 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.767 43.029 24.046 1.00 0.00 H new ATOM 0 HG LEU A 43 47.961 42.730 21.999 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.367 44.110 20.604 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.624 42.574 21.110 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.203 44.085 21.951 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.063 45.191 21.953 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.922 45.256 23.318 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.533 44.532 23.538 1.00 0.00 H new ATOM 699 N ILE A 44 46.676 42.219 27.005 1.00 0.00 N ATOM 700 CA ILE A 44 46.123 41.715 28.245 1.00 0.00 C ATOM 701 C ILE A 44 44.884 42.511 28.661 1.00 0.00 C ATOM 702 O ILE A 44 44.869 43.737 28.568 1.00 0.00 O ATOM 703 CB ILE A 44 47.204 41.695 29.321 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.242 40.618 29.021 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.643 41.497 30.727 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.535 40.724 29.825 1.00 0.00 C ATOM 0 H ILE A 44 46.859 43.222 27.041 1.00 0.00 H new ATOM 0 HA ILE A 44 45.786 40.689 28.100 1.00 0.00 H new ATOM 0 HB ILE A 44 47.676 42.677 29.298 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.795 39.642 29.208 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.488 40.658 27.960 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.461 41.492 31.448 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.957 42.310 30.963 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.110 40.547 30.776 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.208 39.915 29.540 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.013 41.682 29.621 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.309 40.651 30.889 1.00 0.00 H new ATOM 718 N PHE A 45 43.863 41.833 29.177 1.00 0.00 N ATOM 719 CA PHE A 45 42.732 42.436 29.853 1.00 0.00 C ATOM 720 C PHE A 45 42.341 41.691 31.131 1.00 0.00 C ATOM 721 O PHE A 45 42.213 40.469 31.136 1.00 0.00 O ATOM 722 CB PHE A 45 41.530 42.531 28.919 1.00 0.00 C ATOM 723 CG PHE A 45 40.401 43.350 29.498 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.577 44.724 29.698 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.195 42.750 29.881 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.558 45.491 30.274 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.168 43.517 30.441 1.00 0.00 C ATOM 728 CZ PHE A 45 38.346 44.892 30.636 1.00 0.00 C ATOM 0 H PHE A 45 43.804 40.816 29.132 1.00 0.00 H new ATOM 0 HA PHE A 45 43.046 43.439 30.144 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.845 42.972 27.973 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.168 41.527 28.697 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.504 45.195 29.406 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.057 41.688 29.743 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.707 46.548 30.440 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.237 43.048 30.723 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.552 45.487 31.063 1.00 0.00 H new ATOM 738 N ALA A 46 42.151 42.427 32.222 1.00 0.00 N ATOM 739 CA ALA A 46 41.961 41.920 33.566 1.00 0.00 C ATOM 740 C ALA A 46 42.915 40.779 33.924 1.00 0.00 C ATOM 741 O ALA A 46 42.510 39.741 34.442 1.00 0.00 O ATOM 742 CB ALA A 46 40.480 41.645 33.806 1.00 0.00 C ATOM 0 H ALA A 46 42.125 43.446 32.184 1.00 0.00 H new ATOM 0 HA ALA A 46 42.250 42.689 34.282 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.340 41.264 34.818 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.914 42.569 33.685 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.126 40.906 33.087 1.00 0.00 H new ATOM 748 N GLY A 47 44.193 40.928 33.586 1.00 0.00 N ATOM 749 CA GLY A 47 45.248 39.973 33.858 1.00 0.00 C ATOM 750 C GLY A 47 45.372 38.772 32.917 1.00 0.00 C ATOM 751 O GLY A 47 46.344 38.032 33.047 1.00 0.00 O ATOM 0 H GLY A 47 44.530 41.756 33.094 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.197 40.508 33.848 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.107 39.594 34.870 1.00 0.00 H new ATOM 755 N LYS A 48 44.463 38.551 31.971 1.00 0.00 N ATOM 756 CA LYS A 48 44.536 37.477 31.002 1.00 0.00 C ATOM 757 C LYS A 48 45.059 37.971 29.652 1.00 0.00 C ATOM 758 O LYS A 48 44.587 38.996 29.168 1.00 0.00 O ATOM 759 CB LYS A 48 43.168 36.825 30.825 1.00 0.00 C ATOM 760 CG LYS A 48 42.785 35.954 32.019 1.00 0.00 C ATOM 761 CD LYS A 48 41.364 35.415 31.872 1.00 0.00 C ATOM 762 CE LYS A 48 40.993 34.418 32.966 1.00 0.00 C ATOM 763 NZ LYS A 48 41.050 35.013 34.311 1.00 0.00 N ATOM 0 H LYS A 48 43.634 39.135 31.860 1.00 0.00 H new ATOM 0 HA LYS A 48 45.239 36.737 31.385 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.414 37.599 30.686 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.172 36.217 29.920 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.485 35.123 32.107 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.864 36.536 32.938 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.661 36.248 31.892 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.262 34.934 30.899 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.988 34.038 32.782 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.669 33.564 32.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.757 34.307 35.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 42.022 35.321 34.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.411 35.832 34.356 1.00 0.00 H new ATOM 777 N GLN A 49 45.970 37.235 29.021 1.00 0.00 N ATOM 778 CA GLN A 49 46.392 37.496 27.660 1.00 0.00 C ATOM 779 C GLN A 49 45.284 37.094 26.685 1.00 0.00 C ATOM 780 O GLN A 49 44.694 36.024 26.817 1.00 0.00 O ATOM 781 CB GLN A 49 47.726 36.818 27.356 1.00 0.00 C ATOM 782 CG GLN A 49 48.391 37.360 26.094 1.00 0.00 C ATOM 783 CD GLN A 49 49.697 36.640 25.752 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.786 37.002 26.191 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.647 35.583 24.946 1.00 0.00 N ATOM 0 H GLN A 49 46.436 36.435 29.449 1.00 0.00 H new ATOM 0 HA GLN A 49 46.563 38.565 27.536 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.399 36.954 28.203 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.566 35.745 27.245 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.700 37.266 25.256 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.592 38.424 26.223 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.752 35.268 24.572 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.504 35.087 24.702 1.00 0.00 H new ATOM 794 N LEU A 50 44.991 37.938 25.699 1.00 0.00 N ATOM 795 CA LEU A 50 43.888 37.741 24.780 1.00 0.00 C ATOM 796 C LEU A 50 44.220 36.659 23.749 1.00 0.00 C ATOM 797 O LEU A 50 45.239 36.739 23.066 1.00 0.00 O ATOM 798 CB LEU A 50 43.518 39.075 24.137 1.00 0.00 C ATOM 799 CG LEU A 50 43.182 40.211 25.099 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.783 41.464 24.326 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.032 39.872 26.043 1.00 0.00 C ATOM 0 H LEU A 50 45.525 38.788 25.519 1.00 0.00 H new ATOM 0 HA LEU A 50 43.016 37.382 25.326 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.347 39.394 23.505 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.662 38.915 23.482 1.00 0.00 H new ATOM 0 HG LEU A 50 44.084 40.376 25.688 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.547 42.264 25.027 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.608 41.775 23.686 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.908 41.250 23.712 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.841 40.719 26.702 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.136 39.655 25.462 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.297 39.000 26.641 1.00 0.00 H new ATOM 813 N GLU A 51 43.388 35.627 23.654 1.00 0.00 N ATOM 814 CA GLU A 51 43.615 34.468 22.816 1.00 0.00 C ATOM 815 C GLU A 51 43.018 34.605 21.414 1.00 0.00 C ATOM 816 O GLU A 51 41.888 35.056 21.239 1.00 0.00 O ATOM 817 CB GLU A 51 43.167 33.186 23.514 1.00 0.00 C ATOM 818 CG GLU A 51 44.118 32.823 24.650 1.00 0.00 C ATOM 819 CD GLU A 51 43.655 31.619 25.473 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.694 31.717 26.719 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.309 30.562 24.903 1.00 0.00 O ATOM 0 H GLU A 51 42.513 35.578 24.176 1.00 0.00 H new ATOM 0 HA GLU A 51 44.692 34.404 22.663 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.158 33.314 23.906 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.127 32.370 22.793 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.103 32.612 24.235 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.228 33.683 25.310 1.00 0.00 H new ATOM 828 N ASP A 52 43.776 34.200 20.400 1.00 0.00 N ATOM 829 CA ASP A 52 43.453 34.464 19.011 1.00 0.00 C ATOM 830 C ASP A 52 42.208 33.737 18.501 1.00 0.00 C ATOM 831 O ASP A 52 41.893 32.618 18.899 1.00 0.00 O ATOM 832 CB ASP A 52 44.666 34.182 18.131 1.00 0.00 C ATOM 833 CG ASP A 52 45.712 35.296 18.221 1.00 0.00 C ATOM 834 OD1 ASP A 52 45.659 36.202 17.361 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.585 35.239 19.114 1.00 0.00 O ATOM 0 H ASP A 52 44.641 33.674 20.526 1.00 0.00 H new ATOM 0 HA ASP A 52 43.197 35.522 18.952 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.118 33.236 18.429 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.344 34.070 17.096 1.00 0.00 H new ATOM 840 N GLY A 53 41.477 34.415 17.621 1.00 0.00 N ATOM 841 CA GLY A 53 40.169 34.030 17.131 1.00 0.00 C ATOM 842 C GLY A 53 39.005 34.387 18.057 1.00 0.00 C ATOM 843 O GLY A 53 37.860 34.349 17.609 1.00 0.00 O ATOM 0 H GLY A 53 41.803 35.291 17.213 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.005 34.506 16.164 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.163 32.953 16.962 1.00 0.00 H new ATOM 847 N ARG A 54 39.269 34.777 19.300 1.00 0.00 N ATOM 848 CA ARG A 54 38.294 35.391 20.179 1.00 0.00 C ATOM 849 C ARG A 54 38.103 36.876 19.861 1.00 0.00 C ATOM 850 O ARG A 54 38.928 37.503 19.201 1.00 0.00 O ATOM 851 CB ARG A 54 38.668 35.190 21.644 1.00 0.00 C ATOM 852 CG ARG A 54 38.717 33.714 22.034 1.00 0.00 C ATOM 853 CD ARG A 54 38.828 33.555 23.548 1.00 0.00 C ATOM 854 NE ARG A 54 38.741 32.150 23.947 1.00 0.00 N ATOM 855 CZ ARG A 54 37.634 31.406 24.074 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.398 31.865 23.830 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.761 30.128 24.454 1.00 0.00 N ATOM 0 H ARG A 54 40.188 34.670 19.729 1.00 0.00 H new ATOM 0 HA ARG A 54 37.341 34.893 20.003 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.640 35.646 21.834 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.945 35.706 22.275 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.820 33.209 21.676 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.568 33.234 21.550 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.774 33.974 23.891 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.034 34.122 24.034 1.00 0.00 H new ATOM 0 HE ARG A 54 39.625 31.683 24.152 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.263 32.830 23.530 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.593 31.249 23.945 1.00 0.00 H new ATOM 0 HH21 ARG A 54 38.686 29.741 24.640 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.933 29.542 24.558 1.00 0.00 H new ATOM 871 N THR A 55 37.007 37.436 20.361 1.00 0.00 N ATOM 872 CA THR A 55 36.612 38.824 20.229 1.00 0.00 C ATOM 873 C THR A 55 36.723 39.579 21.556 1.00 0.00 C ATOM 874 O THR A 55 36.865 38.969 22.613 1.00 0.00 O ATOM 875 CB THR A 55 35.191 38.941 19.685 1.00 0.00 C ATOM 876 OG1 THR A 55 34.228 38.492 20.611 1.00 0.00 O ATOM 877 CG2 THR A 55 34.975 38.166 18.389 1.00 0.00 C ATOM 0 H THR A 55 36.332 36.895 20.902 1.00 0.00 H new ATOM 0 HA THR A 55 37.303 39.281 19.520 1.00 0.00 H new ATOM 0 HB THR A 55 35.066 40.006 19.492 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.535 37.658 21.023 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.944 38.292 18.057 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.652 38.543 17.622 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.174 37.108 18.560 1.00 0.00 H new ATOM 885 N LEU A 56 36.603 40.904 21.536 1.00 0.00 N ATOM 886 CA LEU A 56 36.516 41.704 22.740 1.00 0.00 C ATOM 887 C LEU A 56 35.384 41.258 23.669 1.00 0.00 C ATOM 888 O LEU A 56 35.554 41.259 24.886 1.00 0.00 O ATOM 889 CB LEU A 56 36.390 43.176 22.357 1.00 0.00 C ATOM 890 CG LEU A 56 37.563 43.788 21.595 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.314 45.277 21.379 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.894 43.652 22.327 1.00 0.00 C ATOM 0 H LEU A 56 36.564 41.450 20.675 1.00 0.00 H new ATOM 0 HA LEU A 56 37.432 41.559 23.312 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.492 43.295 21.751 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.238 43.753 23.269 1.00 0.00 H new ATOM 0 HG LEU A 56 37.629 43.242 20.654 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.153 45.711 20.835 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.399 45.413 20.803 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.212 45.773 22.344 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.685 44.107 21.731 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.831 44.155 23.292 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.118 42.597 22.482 1.00 0.00 H new ATOM 904 N SER A 57 34.262 40.797 23.124 1.00 0.00 N ATOM 905 CA SER A 57 33.142 40.264 23.873 1.00 0.00 C ATOM 906 C SER A 57 33.433 38.957 24.613 1.00 0.00 C ATOM 907 O SER A 57 32.759 38.670 25.600 1.00 0.00 O ATOM 908 CB SER A 57 31.937 40.059 22.959 1.00 0.00 C ATOM 909 OG SER A 57 31.503 41.275 22.394 1.00 0.00 O ATOM 0 H SER A 57 34.108 40.786 22.116 1.00 0.00 H new ATOM 0 HA SER A 57 32.932 41.014 24.636 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.197 39.360 22.164 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.122 39.609 23.526 1.00 0.00 H new ATOM 0 HG SER A 57 32.225 41.661 21.855 1.00 0.00 H new ATOM 915 N ASP A 58 34.431 38.168 24.225 1.00 0.00 N ATOM 916 CA ASP A 58 34.854 36.989 24.955 1.00 0.00 C ATOM 917 C ASP A 58 35.492 37.317 26.306 1.00 0.00 C ATOM 918 O ASP A 58 35.586 36.456 27.179 1.00 0.00 O ATOM 919 CB ASP A 58 35.878 36.190 24.153 1.00 0.00 C ATOM 920 CG ASP A 58 35.324 35.524 22.893 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.293 34.274 22.864 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.006 36.214 21.902 1.00 0.00 O ATOM 0 H ASP A 58 34.975 38.338 23.379 1.00 0.00 H new ATOM 0 HA ASP A 58 33.944 36.413 25.122 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.694 36.854 23.868 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.303 35.420 24.797 1.00 0.00 H new ATOM 927 N TYR A 59 35.917 38.563 26.493 1.00 0.00 N ATOM 928 CA TYR A 59 36.554 39.067 27.693 1.00 0.00 C ATOM 929 C TYR A 59 35.745 40.174 28.372 1.00 0.00 C ATOM 930 O TYR A 59 36.249 40.811 29.294 1.00 0.00 O ATOM 931 CB TYR A 59 37.987 39.470 27.357 1.00 0.00 C ATOM 932 CG TYR A 59 38.868 38.322 26.926 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.546 37.569 27.893 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.000 37.993 25.573 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.365 36.499 27.512 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.823 36.931 25.178 1.00 0.00 C ATOM 937 CZ TYR A 59 40.506 36.172 26.149 1.00 0.00 C ATOM 938 OH TYR A 59 41.287 35.119 25.772 1.00 0.00 O ATOM 0 H TYR A 59 35.819 39.279 25.773 1.00 0.00 H new ATOM 0 HA TYR A 59 36.590 38.275 28.441 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.966 40.215 26.562 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.432 39.947 28.230 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.436 37.815 28.939 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.464 38.562 24.828 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.888 35.925 28.262 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.934 36.694 24.130 1.00 0.00 H new ATOM 0 HH TYR A 59 40.791 34.283 25.895 1.00 0.00 H new ATOM 948 N ASN A 60 34.497 40.389 27.966 1.00 0.00 N ATOM 949 CA ASN A 60 33.608 41.397 28.507 1.00 0.00 C ATOM 950 C ASN A 60 34.199 42.808 28.477 1.00 0.00 C ATOM 951 O ASN A 60 34.114 43.560 29.444 1.00 0.00 O ATOM 952 CB ASN A 60 33.091 40.936 29.867 1.00 0.00 C ATOM 953 CG ASN A 60 31.901 41.742 30.392 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.239 42.509 29.694 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.575 41.580 31.671 1.00 0.00 N ATOM 0 H ASN A 60 34.066 39.841 27.221 1.00 0.00 H new ATOM 0 HA ASN A 60 32.741 41.496 27.854 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.802 39.887 29.797 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.903 40.995 30.591 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.783 42.089 32.064 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.117 40.947 32.259 1.00 0.00 H new ATOM 962 N ILE A 61 34.861 43.159 27.377 1.00 0.00 N ATOM 963 CA ILE A 61 35.429 44.470 27.134 1.00 0.00 C ATOM 964 C ILE A 61 34.343 45.369 26.540 1.00 0.00 C ATOM 965 O ILE A 61 33.735 45.032 25.526 1.00 0.00 O ATOM 966 CB ILE A 61 36.659 44.337 26.242 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.788 43.611 26.969 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.151 45.685 25.723 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.892 43.080 26.059 1.00 0.00 C ATOM 0 H ILE A 61 35.019 42.510 26.606 1.00 0.00 H new ATOM 0 HA ILE A 61 35.768 44.935 28.060 1.00 0.00 H new ATOM 0 HB ILE A 61 36.353 43.745 25.379 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.231 44.292 27.696 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.365 42.777 27.529 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.028 45.534 25.093 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.362 46.160 25.139 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.414 46.325 26.565 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.651 42.580 26.661 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.468 42.371 25.348 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.347 43.909 25.517 1.00 0.00 H new ATOM 981 N GLN A 62 34.108 46.513 27.178 1.00 0.00 N ATOM 982 CA GLN A 62 33.137 47.518 26.795 1.00 0.00 C ATOM 983 C GLN A 62 33.753 48.918 26.766 1.00 0.00 C ATOM 984 O GLN A 62 34.949 49.081 27.000 1.00 0.00 O ATOM 985 CB GLN A 62 31.937 47.422 27.732 1.00 0.00 C ATOM 986 CG GLN A 62 31.184 46.106 27.561 1.00 0.00 C ATOM 987 CD GLN A 62 29.815 46.097 28.245 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.627 46.616 29.343 1.00 0.00 O ATOM 989 NE2 GLN A 62 28.810 45.513 27.601 1.00 0.00 N ATOM 0 H GLN A 62 34.621 46.771 28.021 1.00 0.00 H new ATOM 0 HA GLN A 62 32.798 47.330 25.776 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.274 47.516 28.764 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.260 48.255 27.541 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.052 45.907 26.498 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.789 45.294 27.965 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.969 45.083 26.690 1.00 0.00 H new ATOM 0 HE22 GLN A 62 27.879 45.495 28.018 1.00 0.00 H new ATOM 998 N LYS A 63 32.968 49.945 26.454 1.00 0.00 N ATOM 999 CA LYS A 63 33.391 51.322 26.296 1.00 0.00 C ATOM 1000 C LYS A 63 34.294 51.827 27.422 1.00 0.00 C ATOM 1001 O LYS A 63 33.947 51.750 28.599 1.00 0.00 O ATOM 1002 CB LYS A 63 32.140 52.184 26.153 1.00 0.00 C ATOM 1003 CG LYS A 63 32.445 53.666 25.957 1.00 0.00 C ATOM 1004 CD LYS A 63 31.184 54.454 25.615 1.00 0.00 C ATOM 1005 CE LYS A 63 30.170 54.487 26.755 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.996 55.281 26.359 1.00 0.00 N ATOM 0 H LYS A 63 31.967 49.826 26.297 1.00 0.00 H new ATOM 0 HA LYS A 63 34.011 51.388 25.402 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.556 51.826 25.305 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.520 52.062 27.042 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.893 54.070 26.865 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.178 53.786 25.159 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.461 55.475 25.354 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.716 54.015 24.734 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.864 53.472 27.011 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.626 54.917 27.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.310 55.299 27.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.293 56.253 26.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.554 54.853 25.520 1.00 0.00 H new ATOM 1020 N GLU A 64 35.437 52.384 27.031 1.00 0.00 N ATOM 1021 CA GLU A 64 36.453 53.002 27.859 1.00 0.00 C ATOM 1022 C GLU A 64 37.117 52.064 28.870 1.00 0.00 C ATOM 1023 O GLU A 64 37.694 52.509 29.860 1.00 0.00 O ATOM 1024 CB GLU A 64 35.973 54.348 28.394 1.00 0.00 C ATOM 1025 CG GLU A 64 35.726 55.357 27.275 1.00 0.00 C ATOM 1026 CD GLU A 64 35.098 56.663 27.765 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.609 57.284 28.723 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.107 57.130 27.163 1.00 0.00 O ATOM 0 H GLU A 64 35.691 52.414 26.044 1.00 0.00 H new ATOM 0 HA GLU A 64 37.303 53.232 27.217 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.054 54.205 28.962 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.715 54.748 29.085 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.672 55.580 26.781 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.074 54.907 26.527 1.00 0.00 H new ATOM 1035 N SER A 65 37.121 50.766 28.582 1.00 0.00 N ATOM 1036 CA SER A 65 38.018 49.788 29.164 1.00 0.00 C ATOM 1037 C SER A 65 39.490 50.160 28.972 1.00 0.00 C ATOM 1038 O SER A 65 39.827 50.811 27.987 1.00 0.00 O ATOM 1039 CB SER A 65 37.855 48.433 28.479 1.00 0.00 C ATOM 1040 OG SER A 65 36.558 47.907 28.645 1.00 0.00 O ATOM 0 H SER A 65 36.472 50.356 27.910 1.00 0.00 H new ATOM 0 HA SER A 65 37.762 49.755 30.223 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.070 48.537 27.415 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.585 47.732 28.885 1.00 0.00 H new ATOM 0 HG SER A 65 35.971 48.256 27.942 1.00 0.00 H new ATOM 1046 N THR A 66 40.370 49.669 29.840 1.00 0.00 N ATOM 1047 CA THR A 66 41.808 49.768 29.696 1.00 0.00 C ATOM 1048 C THR A 66 42.440 48.385 29.525 1.00 0.00 C ATOM 1049 O THR A 66 42.367 47.527 30.402 1.00 0.00 O ATOM 1050 CB THR A 66 42.443 50.504 30.873 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.921 51.811 30.965 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.952 50.669 30.714 1.00 0.00 C ATOM 0 H THR A 66 40.087 49.177 30.687 1.00 0.00 H new ATOM 0 HA THR A 66 42.002 50.350 28.795 1.00 0.00 H new ATOM 0 HB THR A 66 42.222 49.902 31.755 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.333 52.275 31.724 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.353 51.199 31.578 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.420 49.687 30.641 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.162 51.239 29.809 1.00 0.00 H new ATOM 1060 N LEU A 67 43.093 48.186 28.384 1.00 0.00 N ATOM 1061 CA LEU A 67 43.908 47.030 28.068 1.00 0.00 C ATOM 1062 C LEU A 67 45.379 47.345 28.350 1.00 0.00 C ATOM 1063 O LEU A 67 45.820 48.487 28.248 1.00 0.00 O ATOM 1064 CB LEU A 67 43.696 46.605 26.618 1.00 0.00 C ATOM 1065 CG LEU A 67 42.399 45.861 26.309 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.138 46.696 26.510 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.427 45.403 24.853 1.00 0.00 C ATOM 0 H LEU A 67 43.063 48.863 27.621 1.00 0.00 H new ATOM 0 HA LEU A 67 43.608 46.194 28.700 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.735 47.496 25.992 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.532 45.971 26.323 1.00 0.00 H new ATOM 0 HG LEU A 67 42.352 45.029 27.011 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.261 46.095 26.269 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.080 47.023 27.548 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.171 47.568 25.856 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.505 44.870 24.621 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.518 46.271 24.200 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.278 44.740 24.696 1.00 0.00 H new ATOM 1079 N HIS A 68 46.160 46.315 28.665 1.00 0.00 N ATOM 1080 CA HIS A 68 47.577 46.431 28.948 1.00 0.00 C ATOM 1081 C HIS A 68 48.383 45.814 27.803 1.00 0.00 C ATOM 1082 O HIS A 68 48.092 44.707 27.354 1.00 0.00 O ATOM 1083 CB HIS A 68 47.895 45.816 30.308 1.00 0.00 C ATOM 1084 CG HIS A 68 47.210 46.504 31.457 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.825 47.341 32.387 1.00 0.00 N ATOM 1086 CD2 HIS A 68 45.883 46.393 31.781 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.866 47.732 33.231 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.688 47.177 32.902 1.00 0.00 N ATOM 0 H HIS A 68 45.812 45.358 28.730 1.00 0.00 H new ATOM 0 HA HIS A 68 47.864 47.481 29.010 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.604 44.766 30.299 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.973 45.847 30.468 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.137 45.808 31.263 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.017 48.403 34.064 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.804 47.311 33.394 1.00 0.00 H new ATOM 1096 N LEU A 69 49.391 46.539 27.327 1.00 0.00 N ATOM 1097 CA LEU A 69 50.298 46.138 26.270 1.00 0.00 C ATOM 1098 C LEU A 69 51.661 45.799 26.877 1.00 0.00 C ATOM 1099 O LEU A 69 52.305 46.664 27.468 1.00 0.00 O ATOM 1100 CB LEU A 69 50.365 47.255 25.232 1.00 0.00 C ATOM 1101 CG LEU A 69 51.472 47.143 24.187 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.378 45.889 23.323 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.426 48.350 23.254 1.00 0.00 C ATOM 0 H LEU A 69 49.603 47.468 27.690 1.00 0.00 H new ATOM 0 HA LEU A 69 49.946 45.241 25.761 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.408 47.297 24.713 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.485 48.203 25.757 1.00 0.00 H new ATOM 0 HG LEU A 69 52.404 47.095 24.750 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.198 45.880 22.605 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.441 45.005 23.957 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.428 45.885 22.789 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.218 48.265 22.510 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.459 48.385 22.752 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.568 49.263 23.833 1.00 0.00 H new ATOM 1115 N VAL A 70 52.116 44.563 26.693 1.00 0.00 N ATOM 1116 CA VAL A 70 53.438 44.104 27.066 1.00 0.00 C ATOM 1117 C VAL A 70 54.237 43.791 25.798 1.00 0.00 C ATOM 1118 O VAL A 70 53.710 43.193 24.863 1.00 0.00 O ATOM 1119 CB VAL A 70 53.361 42.929 28.037 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.735 42.369 28.396 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.684 43.338 29.342 1.00 0.00 C ATOM 0 H VAL A 70 51.549 43.832 26.264 1.00 0.00 H new ATOM 0 HA VAL A 70 53.966 44.891 27.604 1.00 0.00 H new ATOM 0 HB VAL A 70 52.783 42.164 27.519 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.619 41.536 29.089 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.234 42.021 27.491 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.335 43.149 28.864 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.643 42.481 30.015 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.253 44.141 29.811 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.672 43.685 29.134 1.00 0.00 H new ATOM 1131 N LEU A 71 55.500 44.203 25.737 1.00 0.00 N ATOM 1132 CA LEU A 71 56.349 43.945 24.591 1.00 0.00 C ATOM 1133 C LEU A 71 56.849 42.500 24.635 1.00 0.00 C ATOM 1134 O LEU A 71 57.364 42.059 25.662 1.00 0.00 O ATOM 1135 CB LEU A 71 57.509 44.936 24.544 1.00 0.00 C ATOM 1136 CG LEU A 71 57.234 46.319 23.961 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.918 46.274 22.468 1.00 0.00 C ATOM 1138 CD2 LEU A 71 56.125 47.087 24.672 1.00 0.00 C ATOM 0 H LEU A 71 55.959 44.725 26.484 1.00 0.00 H new ATOM 0 HA LEU A 71 55.769 44.081 23.678 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.880 45.068 25.561 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.315 44.483 23.967 1.00 0.00 H new ATOM 0 HG LEU A 71 58.169 46.855 24.122 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.731 47.285 22.105 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.764 45.846 21.930 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.034 45.659 22.302 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.993 48.059 24.196 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.194 46.523 24.610 1.00 0.00 H new ATOM 0 HD23 LEU A 71 56.394 47.229 25.719 1.00 0.00 H new ATOM 1150 N ARG A 72 56.761 41.768 23.529 1.00 0.00 N ATOM 1151 CA ARG A 72 57.357 40.456 23.379 1.00 0.00 C ATOM 1152 C ARG A 72 58.858 40.526 23.088 1.00 0.00 C ATOM 1153 O ARG A 72 59.586 39.594 23.424 1.00 0.00 O ATOM 1154 CB ARG A 72 56.583 39.645 22.344 1.00 0.00 C ATOM 1155 CG ARG A 72 57.045 38.191 22.311 1.00 0.00 C ATOM 1156 CD ARG A 72 56.069 37.237 21.630 1.00 0.00 C ATOM 1157 NE ARG A 72 55.925 37.500 20.198 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.621 36.604 19.249 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.443 35.299 19.494 1.00 0.00 N ATOM 1160 NH2 ARG A 72 55.459 37.001 17.980 1.00 0.00 N ATOM 0 H ARG A 72 56.261 42.082 22.697 1.00 0.00 H new ATOM 0 HA ARG A 72 57.280 39.933 24.332 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.518 39.684 22.572 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.714 40.092 21.358 1.00 0.00 H new ATOM 0 HG2 ARG A 72 58.005 38.139 21.797 1.00 0.00 H new ATOM 0 HG3 ARG A 72 57.212 37.852 23.333 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.410 36.212 21.774 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.094 37.319 22.110 1.00 0.00 H new ATOM 0 HE ARG A 72 56.071 38.462 19.891 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.538 34.941 20.444 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.213 34.663 18.730 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.567 37.985 17.736 1.00 0.00 H new ATOM 0 HH22 ARG A 72 55.228 36.319 17.258 1.00 0.00 H new ATOM 1174 N LEU A 73 59.329 41.632 22.519 1.00 0.00 N ATOM 1175 CA LEU A 73 60.731 41.978 22.396 1.00 0.00 C ATOM 1176 C LEU A 73 60.883 43.499 22.336 1.00 0.00 C ATOM 1177 O LEU A 73 60.148 44.161 21.606 1.00 0.00 O ATOM 1178 CB LEU A 73 61.307 41.284 21.165 1.00 0.00 C ATOM 1179 CG LEU A 73 62.820 41.420 21.007 1.00 0.00 C ATOM 1180 CD1 LEU A 73 63.399 40.158 20.375 1.00 0.00 C ATOM 1181 CD2 LEU A 73 63.207 42.588 20.105 1.00 0.00 C ATOM 0 H LEU A 73 58.713 42.338 22.116 1.00 0.00 H new ATOM 0 HA LEU A 73 61.291 41.634 23.265 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.053 40.225 21.210 1.00 0.00 H new ATOM 0 HB3 LEU A 73 60.824 41.690 20.276 1.00 0.00 H new ATOM 0 HG LEU A 73 63.217 41.587 22.008 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.478 40.267 20.268 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.183 39.300 21.012 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.950 40.004 19.394 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.293 42.642 20.025 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.777 42.441 19.114 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.828 43.517 20.530 1.00 0.00 H new ATOM 1193 N ARG A 74 61.847 44.043 23.074 1.00 0.00 N ATOM 1194 CA ARG A 74 62.335 45.404 22.976 1.00 0.00 C ATOM 1195 C ARG A 74 63.834 45.449 23.276 1.00 0.00 C ATOM 1196 O ARG A 74 64.315 44.694 24.121 1.00 0.00 O ATOM 1197 CB ARG A 74 61.509 46.308 23.887 1.00 0.00 C ATOM 1198 CG ARG A 74 61.974 47.760 23.920 1.00 0.00 C ATOM 1199 CD ARG A 74 60.937 48.697 24.535 1.00 0.00 C ATOM 1200 NE ARG A 74 59.913 49.084 23.565 1.00 0.00 N ATOM 1201 CZ ARG A 74 58.805 49.805 23.786 1.00 0.00 C ATOM 1202 NH1 ARG A 74 58.430 50.255 24.991 1.00 0.00 N ATOM 1203 NH2 ARG A 74 58.009 50.113 22.754 1.00 0.00 N ATOM 0 H ARG A 74 62.332 43.510 23.796 1.00 0.00 H new ATOM 0 HA ARG A 74 62.214 45.779 21.960 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.469 46.279 23.562 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.537 45.907 24.900 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.901 47.827 24.489 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.198 48.089 22.905 1.00 0.00 H new ATOM 0 HD2 ARG A 74 60.465 48.208 25.387 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.434 49.590 24.915 1.00 0.00 H new ATOM 0 HE ARG A 74 60.060 48.768 22.606 1.00 0.00 H new ATOM 0 HH11 ARG A 74 59.002 50.053 25.811 1.00 0.00 H new ATOM 0 HH12 ARG A 74 57.573 50.799 25.088 1.00 0.00 H new ATOM 0 HH21 ARG A 74 58.249 49.799 21.814 1.00 0.00 H new ATOM 0 HH22 ARG A 74 57.163 50.661 22.908 1.00 0.00 H new ATOM 1217 N GLY A 75 64.566 46.306 22.571 1.00 0.00 N ATOM 1218 CA GLY A 75 66.009 46.388 22.675 1.00 0.00 C ATOM 1219 C GLY A 75 66.732 45.180 22.074 1.00 0.00 C ATOM 1220 O GLY A 75 66.114 44.326 21.443 1.00 0.00 O ATOM 0 H GLY A 75 64.165 46.967 21.906 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.351 47.293 22.173 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.285 46.482 23.725 1.00 0.00 H new ATOM 1224 N GLY A 76 68.046 45.116 22.270 1.00 0.00 N ATOM 1225 CA GLY A 76 68.930 44.097 21.742 1.00 0.00 C ATOM 1226 C GLY A 76 69.167 44.194 20.234 1.00 0.00 C ATOM 1227 O GLY A 76 68.649 43.334 19.491 1.00 0.00 O ATOM 1228 OXT GLY A 76 69.897 45.117 19.810 1.00 0.00 O ATOM 0 H GLY A 76 68.541 45.810 22.830 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.890 44.163 22.254 1.00 0.00 H new ATOM 0 HA3 GLY A 76 68.513 43.116 21.971 1.00 0.00 H new TER 1232 GLY A 76