USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 764 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 32 GLN : amide:sc= 0.551 K(o=1.1,f=-1.1) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.505 K(o=1.1,f=-1.9) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00497 USER MOD Single : A 7 GLN : amide:sc=-0.00155 X(o=-0.0016,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -176:sc= 0.566 (180deg=0.554) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0833 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0.0915 (180deg=0.0867) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0482 X(o=-0.048,f=-0.032) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 173:sc= 0 (180deg=-0.0388) USER MOD Single : A 44 THR OG1 : rot -160:sc= -0.0235 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 46 HIS : no HD1:sc= -0.643 X(o=-0.64,f=-0.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00662) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.053) USER MOD Single : A 53 SER OG : rot 69:sc= 0.426 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -29:sc= 0.688 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc=-0.00219 K(o=-0.0022,f=-2.5!) USER MOD Single : A 64 SER OG : rot -140:sc= -0.136 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0.0948 K(o=0.095,f=-2.9!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0927 K(o=-0.093,f=-0.82) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= 0.184 (180deg=0.118) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0.52 K(o=0.52,f=-5.5!) USER MOD Single : A 98 THR OG1 : rot 1:sc= 0.561 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 43.862 20.364 13.557 1.00 25.00 N ATOM 2 CA MET A 4 42.751 21.185 13.003 1.00 25.00 C ATOM 3 C MET A 4 42.741 21.163 11.476 1.00 25.00 C ATOM 4 O MET A 4 41.664 21.112 10.882 1.00 25.00 O ATOM 5 CB MET A 4 42.858 22.634 13.494 1.00 25.00 C ATOM 6 CG MET A 4 41.649 23.503 13.163 1.00 25.00 C ATOM 7 SD MET A 4 41.882 25.215 13.691 1.00 25.00 S ATOM 8 CE MET A 4 42.976 25.882 12.396 1.00 25.00 C ATOM 0 HA MET A 4 41.817 20.748 13.358 1.00 25.00 H new ATOM 0 HB2 MET A 4 43.001 22.629 14.575 1.00 25.00 H new ATOM 0 HB3 MET A 4 43.747 23.088 13.057 1.00 25.00 H new ATOM 0 HG2 MET A 4 41.467 23.476 12.089 1.00 25.00 H new ATOM 0 HG3 MET A 4 40.763 23.092 13.647 1.00 25.00 H new ATOM 0 HE1 MET A 4 43.193 26.929 12.607 1.00 25.00 H new ATOM 0 HE2 MET A 4 43.907 25.315 12.378 1.00 25.00 H new ATOM 0 HE3 MET A 4 42.484 25.802 11.427 1.00 25.00 H new ATOM 18 N SER A 5 43.888 21.236 10.809 1.00 25.00 N ATOM 19 CA SER A 5 43.943 21.399 9.350 1.00 25.00 C ATOM 20 C SER A 5 43.286 20.321 8.485 1.00 25.00 C ATOM 21 O SER A 5 42.885 20.597 7.354 1.00 25.00 O ATOM 22 CB SER A 5 45.407 21.490 8.933 1.00 25.00 C ATOM 23 OG SER A 5 46.088 22.430 9.746 1.00 25.00 O ATOM 0 H SER A 5 44.804 21.185 11.256 1.00 25.00 H new ATOM 0 HA SER A 5 43.356 22.299 9.166 1.00 25.00 H new ATOM 0 HB2 SER A 5 45.880 20.512 9.021 1.00 25.00 H new ATOM 0 HB3 SER A 5 45.477 21.785 7.886 1.00 25.00 H new ATOM 0 HG SER A 5 47.027 22.480 9.472 1.00 25.00 H new ATOM 29 N ASP A 6 43.150 19.101 8.985 1.00 25.00 N ATOM 30 CA ASP A 6 42.492 18.048 8.203 1.00 25.00 C ATOM 31 C ASP A 6 40.968 18.174 8.219 1.00 25.00 C ATOM 32 O ASP A 6 40.283 17.680 7.320 1.00 25.00 O ATOM 33 CB ASP A 6 42.855 16.663 8.736 1.00 25.00 C ATOM 34 CG ASP A 6 42.350 15.554 7.832 1.00 25.00 C ATOM 35 OD1 ASP A 6 42.762 15.476 6.652 1.00 25.00 O ATOM 36 OD2 ASP A 6 41.517 14.738 8.286 1.00 25.00 O ATOM 0 H ASP A 6 43.476 18.813 9.908 1.00 25.00 H new ATOM 0 HA ASP A 6 42.848 18.170 7.180 1.00 25.00 H new ATOM 0 HB2 ASP A 6 43.938 16.585 8.835 1.00 25.00 H new ATOM 0 HB3 ASP A 6 42.434 16.537 9.734 1.00 25.00 H new ATOM 41 N GLN A 7 40.428 18.844 9.228 1.00 25.00 N ATOM 42 CA GLN A 7 38.978 18.996 9.355 1.00 25.00 C ATOM 43 C GLN A 7 38.452 19.928 8.267 1.00 25.00 C ATOM 44 O GLN A 7 39.183 20.795 7.783 1.00 25.00 O ATOM 45 CB GLN A 7 38.600 19.561 10.726 1.00 25.00 C ATOM 46 CG GLN A 7 39.060 18.696 11.885 1.00 25.00 C ATOM 47 CD GLN A 7 38.375 19.050 13.185 1.00 25.00 C ATOM 48 OE1 GLN A 7 38.612 20.104 13.773 1.00 25.00 O ATOM 49 NE2 GLN A 7 37.531 18.174 13.654 1.00 25.00 N ATOM 0 H GLN A 7 40.967 19.291 9.970 1.00 25.00 H new ATOM 0 HA GLN A 7 38.528 18.009 9.247 1.00 25.00 H new ATOM 0 HB2 GLN A 7 39.032 20.556 10.832 1.00 25.00 H new ATOM 0 HB3 GLN A 7 37.517 19.677 10.777 1.00 25.00 H new ATOM 0 HG2 GLN A 7 38.867 17.649 11.651 1.00 25.00 H new ATOM 0 HG3 GLN A 7 40.138 18.802 12.007 1.00 25.00 H new ATOM 0 HE21 GLN A 7 37.356 17.309 13.142 1.00 25.00 H new ATOM 0 HE22 GLN A 7 37.045 18.353 14.533 1.00 25.00 H new ATOM 58 N GLU A 8 37.194 19.770 7.889 1.00 25.00 N ATOM 59 CA GLU A 8 36.606 20.559 6.806 1.00 25.00 C ATOM 60 C GLU A 8 35.205 21.042 7.172 1.00 25.00 C ATOM 61 O GLU A 8 34.558 20.491 8.071 1.00 25.00 O ATOM 62 CB GLU A 8 36.552 19.726 5.516 1.00 25.00 C ATOM 63 CG GLU A 8 35.607 18.528 5.579 1.00 25.00 C ATOM 64 CD GLU A 8 35.493 17.782 4.264 1.00 25.00 C ATOM 65 OE1 GLU A 8 36.337 17.948 3.351 1.00 25.00 O ATOM 66 OE2 GLU A 8 34.509 17.019 4.120 1.00 25.00 O ATOM 0 H GLU A 8 36.553 19.100 8.315 1.00 25.00 H new ATOM 0 HA GLU A 8 37.236 21.434 6.646 1.00 25.00 H new ATOM 0 HB2 GLU A 8 36.246 20.372 4.693 1.00 25.00 H new ATOM 0 HB3 GLU A 8 37.556 19.370 5.285 1.00 25.00 H new ATOM 0 HG2 GLU A 8 35.955 17.840 6.350 1.00 25.00 H new ATOM 0 HG3 GLU A 8 34.617 18.871 5.881 1.00 25.00 H new ATOM 73 N ALA A 9 34.737 22.060 6.464 1.00 25.00 N ATOM 74 CA ALA A 9 33.389 22.576 6.646 1.00 25.00 C ATOM 75 C ALA A 9 32.365 21.533 6.186 1.00 25.00 C ATOM 76 O ALA A 9 32.608 20.748 5.259 1.00 25.00 O ATOM 77 CB ALA A 9 33.223 23.877 5.854 1.00 25.00 C ATOM 0 H ALA A 9 35.278 22.549 5.751 1.00 25.00 H new ATOM 0 HA ALA A 9 33.221 22.785 7.703 1.00 25.00 H new ATOM 0 HB1 ALA A 9 32.212 24.261 5.992 1.00 25.00 H new ATOM 0 HB2 ALA A 9 33.943 24.614 6.210 1.00 25.00 H new ATOM 0 HB3 ALA A 9 33.396 23.683 4.795 1.00 25.00 H new ATOM 83 N LYS A 10 31.197 21.569 6.809 1.00 25.00 N ATOM 84 CA LYS A 10 30.099 20.645 6.514 1.00 25.00 C ATOM 85 C LYS A 10 28.891 21.546 6.299 1.00 25.00 C ATOM 86 O LYS A 10 28.890 22.656 6.844 1.00 25.00 O ATOM 87 CB LYS A 10 29.866 19.705 7.708 1.00 25.00 C ATOM 88 CG LYS A 10 31.072 18.864 8.154 1.00 25.00 C ATOM 89 CD LYS A 10 31.556 17.876 7.102 1.00 25.00 C ATOM 90 CE LYS A 10 32.691 17.029 7.649 1.00 25.00 C ATOM 91 NZ LYS A 10 33.196 16.048 6.634 1.00 25.00 N ATOM 0 H LYS A 10 30.977 22.244 7.541 1.00 25.00 H new ATOM 0 HA LYS A 10 30.301 20.013 5.649 1.00 25.00 H new ATOM 0 HB2 LYS A 10 29.534 20.304 8.556 1.00 25.00 H new ATOM 0 HB3 LYS A 10 29.050 19.028 7.457 1.00 25.00 H new ATOM 0 HG2 LYS A 10 31.892 19.533 8.416 1.00 25.00 H new ATOM 0 HG3 LYS A 10 30.806 18.316 9.058 1.00 25.00 H new ATOM 0 HD2 LYS A 10 30.732 17.233 6.792 1.00 25.00 H new ATOM 0 HD3 LYS A 10 31.891 18.415 6.216 1.00 25.00 H new ATOM 0 HE2 LYS A 10 33.508 17.677 7.965 1.00 25.00 H new ATOM 0 HE3 LYS A 10 32.349 16.492 8.534 1.00 25.00 H new ATOM 0 HZ1 LYS A 10 33.923 15.444 7.067 1.00 25.00 H new ATOM 0 HZ2 LYS A 10 32.408 15.457 6.301 1.00 25.00 H new ATOM 0 HZ3 LYS A 10 33.608 16.562 5.829 1.00 25.00 H new ATOM 105 N PRO A 11 27.870 21.112 5.539 1.00 25.00 N ATOM 106 CA PRO A 11 26.728 22.026 5.408 1.00 25.00 C ATOM 107 C PRO A 11 25.948 22.168 6.716 1.00 25.00 C ATOM 108 O PRO A 11 26.030 21.310 7.601 1.00 25.00 O ATOM 109 CB PRO A 11 25.887 21.362 4.314 1.00 25.00 C ATOM 110 CG PRO A 11 26.166 19.918 4.477 1.00 25.00 C ATOM 111 CD PRO A 11 27.642 19.865 4.782 1.00 25.00 C ATOM 0 HA PRO A 11 27.026 23.046 5.165 1.00 25.00 H new ATOM 0 HB2 PRO A 11 24.826 21.580 4.438 1.00 25.00 H new ATOM 0 HB3 PRO A 11 26.171 21.714 3.322 1.00 25.00 H new ATOM 0 HG2 PRO A 11 25.576 19.486 5.285 1.00 25.00 H new ATOM 0 HG3 PRO A 11 25.925 19.360 3.572 1.00 25.00 H new ATOM 0 HD2 PRO A 11 27.901 18.984 5.369 1.00 25.00 H new ATOM 0 HD3 PRO A 11 28.241 19.830 3.872 1.00 25.00 H new ATOM 119 N SER A 12 25.200 23.252 6.851 1.00 25.00 N ATOM 120 CA SER A 12 24.427 23.499 8.067 1.00 25.00 C ATOM 121 C SER A 12 23.287 22.491 8.171 1.00 25.00 C ATOM 122 O SER A 12 22.665 22.136 7.165 1.00 25.00 O ATOM 123 CB SER A 12 23.860 24.921 8.064 1.00 25.00 C ATOM 124 OG SER A 12 24.902 25.888 8.027 1.00 25.00 O ATOM 0 H SER A 12 25.109 23.976 6.138 1.00 25.00 H new ATOM 0 HA SER A 12 25.088 23.388 8.926 1.00 25.00 H new ATOM 0 HB2 SER A 12 23.206 25.053 7.202 1.00 25.00 H new ATOM 0 HB3 SER A 12 23.249 25.074 8.954 1.00 25.00 H new ATOM 0 HG SER A 12 24.513 26.788 8.024 1.00 25.00 H new ATOM 130 N THR A 13 23.023 22.020 9.380 1.00 25.00 N ATOM 131 CA THR A 13 21.976 21.034 9.643 1.00 25.00 C ATOM 132 C THR A 13 21.480 21.219 11.070 1.00 25.00 C ATOM 133 O THR A 13 22.179 21.798 11.908 1.00 25.00 O ATOM 134 CB THR A 13 22.510 19.586 9.444 1.00 25.00 C ATOM 135 OG1 THR A 13 21.438 18.648 9.560 1.00 25.00 O ATOM 136 CG2 THR A 13 23.573 19.188 10.455 1.00 25.00 C ATOM 0 H THR A 13 23.531 22.311 10.215 1.00 25.00 H new ATOM 0 HA THR A 13 21.157 21.184 8.940 1.00 25.00 H new ATOM 0 HB THR A 13 22.958 19.572 8.450 1.00 25.00 H new ATOM 0 HG1 THR A 13 21.783 17.740 9.432 1.00 25.00 H new ATOM 0 HG21 THR A 13 23.900 18.167 10.257 1.00 25.00 H new ATOM 0 HG22 THR A 13 24.424 19.864 10.373 1.00 25.00 H new ATOM 0 HG23 THR A 13 23.158 19.247 11.461 1.00 25.00 H new ATOM 144 N GLU A 14 20.278 20.748 11.359 1.00 25.00 N ATOM 145 CA GLU A 14 19.738 20.778 12.717 1.00 25.00 C ATOM 146 C GLU A 14 19.990 19.436 13.408 1.00 25.00 C ATOM 147 O GLU A 14 19.834 19.315 14.625 1.00 25.00 O ATOM 148 CB GLU A 14 18.244 21.094 12.667 1.00 25.00 C ATOM 149 CG GLU A 14 17.936 22.475 12.113 1.00 25.00 C ATOM 150 CD GLU A 14 16.447 22.757 12.080 1.00 25.00 C ATOM 151 OE1 GLU A 14 15.757 22.312 11.142 1.00 25.00 O ATOM 152 OE2 GLU A 14 15.934 23.445 12.995 1.00 25.00 O ATOM 0 H GLU A 14 19.650 20.336 10.668 1.00 25.00 H new ATOM 0 HA GLU A 14 20.238 21.557 13.292 1.00 25.00 H new ATOM 0 HB2 GLU A 14 17.742 20.345 12.054 1.00 25.00 H new ATOM 0 HB3 GLU A 14 17.830 21.013 13.672 1.00 25.00 H new ATOM 0 HG2 GLU A 14 18.434 23.229 12.723 1.00 25.00 H new ATOM 0 HG3 GLU A 14 18.343 22.560 11.105 1.00 25.00 H new ATOM 159 N ASP A 15 20.414 18.452 12.621 1.00 25.00 N ATOM 160 CA ASP A 15 20.734 17.092 13.083 1.00 25.00 C ATOM 161 C ASP A 15 19.558 16.423 13.805 1.00 25.00 C ATOM 162 O ASP A 15 19.689 15.864 14.896 1.00 25.00 O ATOM 163 CB ASP A 15 22.002 17.071 13.946 1.00 25.00 C ATOM 164 CG ASP A 15 22.530 15.663 14.170 1.00 25.00 C ATOM 165 OD1 ASP A 15 22.286 14.769 13.328 1.00 25.00 O ATOM 166 OD2 ASP A 15 23.231 15.433 15.181 1.00 25.00 O ATOM 0 H ASP A 15 20.550 18.574 11.618 1.00 25.00 H new ATOM 0 HA ASP A 15 20.930 16.502 12.188 1.00 25.00 H new ATOM 0 HB2 ASP A 15 22.774 17.673 13.467 1.00 25.00 H new ATOM 0 HB3 ASP A 15 21.789 17.534 14.910 1.00 25.00 H new ATOM 171 N LEU A 16 18.389 16.510 13.188 1.00 25.00 N ATOM 172 CA LEU A 16 17.153 15.946 13.730 1.00 25.00 C ATOM 173 C LEU A 16 16.258 15.537 12.563 1.00 25.00 C ATOM 174 O LEU A 16 16.543 15.884 11.416 1.00 25.00 O ATOM 175 CB LEU A 16 16.470 16.955 14.673 1.00 25.00 C ATOM 176 CG LEU A 16 16.098 18.379 14.219 1.00 25.00 C ATOM 177 CD1 LEU A 16 14.945 18.480 13.220 1.00 50.00 C ATOM 178 CD2 LEU A 16 15.745 19.215 15.452 1.00 50.00 C ATOM 0 H LEU A 16 18.266 16.977 12.290 1.00 25.00 H new ATOM 0 HA LEU A 16 17.365 15.061 14.329 1.00 25.00 H new ATOM 0 HB2 LEU A 16 15.549 16.486 15.020 1.00 25.00 H new ATOM 0 HB3 LEU A 16 17.120 17.062 15.541 1.00 25.00 H new ATOM 0 HG LEU A 16 16.977 18.748 13.691 1.00 25.00 H new ATOM 0 HD11 LEU A 16 14.770 19.527 12.971 1.00 50.00 H new ATOM 0 HD12 LEU A 16 15.199 17.929 12.314 1.00 50.00 H new ATOM 0 HD13 LEU A 16 14.043 18.056 13.662 1.00 50.00 H new ATOM 0 HD21 LEU A 16 15.480 20.226 15.142 1.00 50.00 H new ATOM 0 HD22 LEU A 16 14.900 18.761 15.970 1.00 50.00 H new ATOM 0 HD23 LEU A 16 16.603 19.254 16.123 1.00 50.00 H new ATOM 190 N GLY A 17 15.181 14.819 12.846 1.00 25.00 N ATOM 191 CA GLY A 17 14.238 14.398 11.819 1.00 25.00 C ATOM 192 C GLY A 17 13.862 12.936 11.932 1.00 25.00 C ATOM 193 O GLY A 17 12.835 12.507 11.409 1.00 25.00 O ATOM 0 H GLY A 17 14.937 14.513 13.788 1.00 25.00 H new ATOM 0 HA2 GLY A 17 13.336 15.007 11.888 1.00 25.00 H new ATOM 0 HA3 GLY A 17 14.672 14.582 10.836 1.00 25.00 H new ATOM 197 N ASP A 18 14.682 12.172 12.642 1.00 25.00 N ATOM 198 CA ASP A 18 14.452 10.738 12.843 1.00 25.00 C ATOM 199 C ASP A 18 13.267 10.425 13.751 1.00 25.00 C ATOM 200 O ASP A 18 12.626 9.385 13.606 1.00 25.00 O ATOM 201 CB ASP A 18 15.685 10.109 13.487 1.00 25.00 C ATOM 202 CG ASP A 18 15.599 8.602 13.531 1.00 25.00 C ATOM 203 OD1 ASP A 18 15.836 7.966 12.480 1.00 25.00 O ATOM 204 OD2 ASP A 18 15.312 8.022 14.604 1.00 25.00 O ATOM 0 H ASP A 18 15.525 12.523 13.096 1.00 25.00 H new ATOM 0 HA ASP A 18 14.241 10.332 11.854 1.00 25.00 H new ATOM 0 HB2 ASP A 18 16.574 10.404 12.930 1.00 25.00 H new ATOM 0 HB3 ASP A 18 15.800 10.494 14.500 1.00 25.00 H new ATOM 209 N LYS A 19 13.006 11.335 14.686 1.00 25.00 N ATOM 210 CA LYS A 19 11.923 11.270 15.684 1.00 25.00 C ATOM 211 C LYS A 19 11.974 10.144 16.724 1.00 25.00 C ATOM 212 O LYS A 19 11.638 10.394 17.883 1.00 25.00 O ATOM 213 CB LYS A 19 10.541 11.312 15.009 1.00 25.00 C ATOM 214 CG LYS A 19 10.296 12.574 14.179 1.00 25.00 C ATOM 215 CD LYS A 19 8.932 12.549 13.498 1.00 25.00 C ATOM 216 CE LYS A 19 8.713 13.814 12.666 1.00 25.00 C ATOM 217 NZ LYS A 19 7.398 13.793 11.936 1.00 25.00 N ATOM 0 H LYS A 19 13.567 12.182 14.779 1.00 25.00 H new ATOM 0 HA LYS A 19 12.099 12.168 16.277 1.00 25.00 H new ATOM 0 HB2 LYS A 19 10.435 10.439 14.365 1.00 25.00 H new ATOM 0 HB3 LYS A 19 9.770 11.238 15.776 1.00 25.00 H new ATOM 0 HG2 LYS A 19 10.365 13.451 14.823 1.00 25.00 H new ATOM 0 HG3 LYS A 19 11.077 12.670 13.425 1.00 25.00 H new ATOM 0 HD2 LYS A 19 8.857 11.670 12.857 1.00 25.00 H new ATOM 0 HD3 LYS A 19 8.147 12.463 14.250 1.00 25.00 H new ATOM 0 HE2 LYS A 19 8.751 14.687 13.318 1.00 25.00 H new ATOM 0 HE3 LYS A 19 9.525 13.918 11.946 1.00 25.00 H new ATOM 0 HZ1 LYS A 19 7.292 14.669 11.386 1.00 25.00 H new ATOM 0 HZ2 LYS A 19 7.370 12.975 11.294 1.00 25.00 H new ATOM 0 HZ3 LYS A 19 6.621 13.720 12.623 1.00 25.00 H new ATOM 231 N LYS A 20 12.420 8.942 16.377 1.00 25.00 N ATOM 232 CA LYS A 20 12.578 7.875 17.375 1.00 25.00 C ATOM 233 C LYS A 20 13.834 8.118 18.198 1.00 25.00 C ATOM 234 O LYS A 20 13.767 8.134 19.428 1.00 25.00 O ATOM 235 CB LYS A 20 12.644 6.489 16.725 1.00 25.00 C ATOM 236 CG LYS A 20 12.706 5.352 17.749 1.00 25.00 C ATOM 237 CD LYS A 20 12.795 3.992 17.077 1.00 25.00 C ATOM 238 CE LYS A 20 12.816 2.853 18.097 1.00 25.00 C ATOM 239 NZ LYS A 20 11.505 2.605 18.787 1.00 25.00 N ATOM 0 H LYS A 20 12.677 8.678 15.426 1.00 25.00 H new ATOM 0 HA LYS A 20 11.701 7.897 18.023 1.00 25.00 H new ATOM 0 HB2 LYS A 20 11.770 6.350 16.088 1.00 25.00 H new ATOM 0 HB3 LYS A 20 13.521 6.438 16.079 1.00 25.00 H new ATOM 0 HG2 LYS A 20 13.570 5.494 18.398 1.00 25.00 H new ATOM 0 HG3 LYS A 20 11.821 5.386 18.384 1.00 25.00 H new ATOM 0 HD2 LYS A 20 11.946 3.863 16.405 1.00 25.00 H new ATOM 0 HD3 LYS A 20 13.696 3.948 16.465 1.00 25.00 H new ATOM 0 HE2 LYS A 20 13.125 1.937 17.593 1.00 25.00 H new ATOM 0 HE3 LYS A 20 13.572 3.072 18.851 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 11.610 1.818 19.459 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 11.215 3.462 19.300 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 10.781 2.362 18.081 1.00 25.00 H new ATOM 253 N GLU A 21 14.946 8.341 17.505 1.00 25.00 N ATOM 254 CA GLU A 21 16.252 8.646 18.103 1.00 25.00 C ATOM 255 C GLU A 21 16.747 7.581 19.104 1.00 25.00 C ATOM 256 O GLU A 21 16.273 6.436 19.085 1.00 25.00 O ATOM 257 CB GLU A 21 16.228 10.058 18.707 1.00 25.00 C ATOM 258 CG GLU A 21 15.753 11.110 17.712 1.00 25.00 C ATOM 259 CD GLU A 21 16.075 12.528 18.141 1.00 25.00 C ATOM 260 OE1 GLU A 21 15.962 12.887 19.335 1.00 25.00 O ATOM 261 OE2 GLU A 21 16.447 13.333 17.256 1.00 25.00 O ATOM 0 H GLU A 21 14.970 8.315 16.486 1.00 25.00 H new ATOM 0 HA GLU A 21 16.990 8.619 17.301 1.00 25.00 H new ATOM 0 HB2 GLU A 21 15.574 10.066 19.579 1.00 25.00 H new ATOM 0 HB3 GLU A 21 17.227 10.318 19.056 1.00 25.00 H new ATOM 0 HG2 GLU A 21 16.213 10.918 16.743 1.00 25.00 H new ATOM 0 HG3 GLU A 21 14.676 11.014 17.578 1.00 25.00 H new ATOM 268 N GLY A 22 17.716 7.918 19.950 1.00 25.00 N ATOM 269 CA GLY A 22 18.248 6.970 20.920 1.00 25.00 C ATOM 270 C GLY A 22 19.014 7.647 22.041 1.00 25.00 C ATOM 271 O GLY A 22 19.237 8.856 21.993 1.00 25.00 O ATOM 0 H GLY A 22 18.148 8.841 19.982 1.00 25.00 H new ATOM 0 HA2 GLY A 22 17.427 6.391 21.344 1.00 25.00 H new ATOM 0 HA3 GLY A 22 18.905 6.265 20.410 1.00 25.00 H new ATOM 275 N GLU A 23 19.382 6.901 23.072 1.00 25.00 N ATOM 276 CA GLU A 23 19.978 7.471 24.288 1.00 25.00 C ATOM 277 C GLU A 23 21.383 8.053 24.128 1.00 25.00 C ATOM 278 O GLU A 23 22.215 7.523 23.384 1.00 25.00 O ATOM 279 CB GLU A 23 20.019 6.404 25.384 1.00 25.00 C ATOM 280 CG GLU A 23 18.636 5.985 25.843 1.00 25.00 C ATOM 281 CD GLU A 23 18.666 4.957 26.961 1.00 25.00 C ATOM 282 OE1 GLU A 23 19.138 3.819 26.730 1.00 25.00 O ATOM 283 OE2 GLU A 23 18.174 5.249 28.076 1.00 25.00 O ATOM 0 H GLU A 23 19.280 5.886 23.097 1.00 25.00 H new ATOM 0 HA GLU A 23 19.334 8.312 24.546 1.00 25.00 H new ATOM 0 HB2 GLU A 23 20.555 5.530 25.015 1.00 25.00 H new ATOM 0 HB3 GLU A 23 20.580 6.786 26.237 1.00 25.00 H new ATOM 0 HG2 GLU A 23 18.090 6.865 26.181 1.00 25.00 H new ATOM 0 HG3 GLU A 23 18.087 5.575 24.995 1.00 25.00 H new ATOM 290 N TYR A 24 21.646 9.120 24.871 1.00 25.00 N ATOM 291 CA TYR A 24 22.902 9.870 24.818 1.00 25.00 C ATOM 292 C TYR A 24 23.459 10.110 26.223 1.00 25.00 C ATOM 293 O TYR A 24 22.727 9.993 27.213 1.00 25.00 O ATOM 294 CB TYR A 24 22.665 11.224 24.136 1.00 25.00 C ATOM 295 CG TYR A 24 21.677 12.102 24.879 1.00 25.00 C ATOM 296 CD1 TYR A 24 22.100 12.933 25.940 1.00 25.00 C ATOM 297 CD2 TYR A 24 20.310 12.095 24.537 1.00 25.00 C ATOM 298 CE1 TYR A 24 21.164 13.703 26.676 1.00 25.00 C ATOM 299 CE2 TYR A 24 19.373 12.877 25.264 1.00 25.00 C ATOM 300 CZ TYR A 24 19.809 13.668 26.331 1.00 25.00 C ATOM 301 OH TYR A 24 18.911 14.426 27.036 1.00 25.00 O ATOM 0 H TYR A 24 20.980 9.500 25.543 1.00 25.00 H new ATOM 0 HA TYR A 24 23.624 9.283 24.250 1.00 25.00 H new ATOM 0 HB2 TYR A 24 23.615 11.751 24.049 1.00 25.00 H new ATOM 0 HB3 TYR A 24 22.300 11.054 23.123 1.00 25.00 H new ATOM 0 HD1 TYR A 24 23.149 12.982 26.194 1.00 25.00 H new ATOM 0 HD2 TYR A 24 19.970 11.487 23.711 1.00 25.00 H new ATOM 0 HE1 TYR A 24 21.497 14.315 27.501 1.00 25.00 H new ATOM 0 HE2 TYR A 24 18.328 12.860 24.993 1.00 25.00 H new ATOM 0 HH TYR A 24 18.011 14.291 26.671 1.00 25.00 H new ATOM 311 N ILE A 25 24.735 10.456 26.316 1.00 25.00 N ATOM 312 CA ILE A 25 25.388 10.773 27.587 1.00 25.00 C ATOM 313 C ILE A 25 26.515 11.764 27.279 1.00 25.00 C ATOM 314 O ILE A 25 26.985 11.803 26.136 1.00 25.00 O ATOM 315 CB ILE A 25 25.897 9.455 28.254 1.00 25.00 C ATOM 316 CG1 ILE A 25 26.155 9.663 29.752 1.00 25.00 C ATOM 317 CG2 ILE A 25 27.122 8.855 27.514 1.00 25.00 C ATOM 318 CD1 ILE A 25 26.220 8.371 30.559 1.00 25.00 C ATOM 0 H ILE A 25 25.354 10.526 25.509 1.00 25.00 H new ATOM 0 HA ILE A 25 24.704 11.232 28.301 1.00 25.00 H new ATOM 0 HB ILE A 25 25.105 8.712 28.163 1.00 25.00 H new ATOM 0 HG12 ILE A 25 27.093 10.204 29.876 1.00 25.00 H new ATOM 0 HG13 ILE A 25 25.366 10.295 30.161 1.00 25.00 H new ATOM 0 HG21 ILE A 25 27.438 7.940 28.016 1.00 25.00 H new ATOM 0 HG22 ILE A 25 26.849 8.628 26.483 1.00 25.00 H new ATOM 0 HG23 ILE A 25 27.940 9.575 27.522 1.00 25.00 H new ATOM 0 HD11 ILE A 25 26.405 8.606 31.607 1.00 25.00 H new ATOM 0 HD12 ILE A 25 25.274 7.837 30.468 1.00 25.00 H new ATOM 0 HD13 ILE A 25 27.027 7.745 30.179 1.00 25.00 H new ATOM 330 N LYS A 26 26.963 12.560 28.246 1.00 25.00 N ATOM 331 CA LYS A 26 28.120 13.440 28.039 1.00 25.00 C ATOM 332 C LYS A 26 29.379 12.599 28.224 1.00 25.00 C ATOM 333 O LYS A 26 29.929 12.471 29.319 1.00 25.00 O ATOM 334 CB LYS A 26 28.083 14.652 28.978 1.00 25.00 C ATOM 335 CG LYS A 26 29.139 15.694 28.639 1.00 25.00 C ATOM 336 CD LYS A 26 29.131 16.858 29.617 1.00 25.00 C ATOM 337 CE LYS A 26 30.218 17.862 29.249 1.00 25.00 C ATOM 338 NZ LYS A 26 30.256 19.016 30.198 1.00 25.00 N ATOM 0 H LYS A 26 26.549 12.617 29.176 1.00 25.00 H new ATOM 0 HA LYS A 26 28.105 13.855 27.031 1.00 25.00 H new ATOM 0 HB2 LYS A 26 27.096 15.113 28.930 1.00 25.00 H new ATOM 0 HB3 LYS A 26 28.228 14.315 30.004 1.00 25.00 H new ATOM 0 HG2 LYS A 26 30.123 15.226 28.642 1.00 25.00 H new ATOM 0 HG3 LYS A 26 28.967 16.068 27.630 1.00 25.00 H new ATOM 0 HD2 LYS A 26 28.156 17.346 29.605 1.00 25.00 H new ATOM 0 HD3 LYS A 26 29.292 16.492 30.631 1.00 25.00 H new ATOM 0 HE2 LYS A 26 31.187 17.363 29.246 1.00 25.00 H new ATOM 0 HE3 LYS A 26 30.045 18.229 28.237 1.00 25.00 H new ATOM 0 HZ1 LYS A 26 31.008 19.675 29.913 1.00 25.00 H new ATOM 0 HZ2 LYS A 26 29.340 19.508 30.183 1.00 25.00 H new ATOM 0 HZ3 LYS A 26 30.446 18.669 31.160 1.00 25.00 H new ATOM 352 N LEU A 27 29.753 11.932 27.145 1.00 25.00 N ATOM 353 CA LEU A 27 30.837 10.957 27.133 1.00 25.00 C ATOM 354 C LEU A 27 32.180 11.670 27.023 1.00 25.00 C ATOM 355 O LEU A 27 32.260 12.704 26.359 1.00 25.00 O ATOM 356 CB LEU A 27 30.639 10.063 25.903 1.00 25.00 C ATOM 357 CG LEU A 27 31.467 8.783 25.726 1.00 25.00 C ATOM 358 CD1 LEU A 27 31.197 7.777 26.831 1.00 50.00 C ATOM 359 CD2 LEU A 27 31.143 8.145 24.375 1.00 50.00 C ATOM 0 H LEU A 27 29.306 12.053 26.236 1.00 25.00 H new ATOM 0 HA LEU A 27 30.828 10.370 28.051 1.00 25.00 H new ATOM 0 HB2 LEU A 27 29.589 9.771 25.884 1.00 25.00 H new ATOM 0 HB3 LEU A 27 30.814 10.683 25.024 1.00 25.00 H new ATOM 0 HG LEU A 27 32.520 9.061 25.772 1.00 25.00 H new ATOM 0 HD11 LEU A 27 31.803 6.886 26.668 1.00 50.00 H new ATOM 0 HD12 LEU A 27 31.452 8.218 27.795 1.00 50.00 H new ATOM 0 HD13 LEU A 27 30.142 7.504 26.825 1.00 50.00 H new ATOM 0 HD21 LEU A 27 31.732 7.236 24.251 1.00 50.00 H new ATOM 0 HD22 LEU A 27 30.082 7.898 24.334 1.00 50.00 H new ATOM 0 HD23 LEU A 27 31.384 8.845 23.575 1.00 50.00 H new ATOM 371 N LYS A 28 33.238 11.128 27.610 1.00 25.00 N ATOM 372 CA LYS A 28 34.593 11.599 27.303 1.00 25.00 C ATOM 373 C LYS A 28 35.234 10.608 26.346 1.00 25.00 C ATOM 374 O LYS A 28 35.235 9.412 26.620 1.00 25.00 O ATOM 375 CB LYS A 28 35.461 11.724 28.558 1.00 25.00 C ATOM 376 CG LYS A 28 36.866 12.246 28.242 1.00 25.00 C ATOM 377 CD LYS A 28 37.728 12.344 29.475 1.00 25.00 C ATOM 378 CE LYS A 28 39.139 12.793 29.122 1.00 25.00 C ATOM 379 NZ LYS A 28 40.039 12.635 30.306 1.00 25.00 N ATOM 0 H LYS A 28 33.193 10.372 28.293 1.00 25.00 H new ATOM 0 HA LYS A 28 34.520 12.592 26.859 1.00 25.00 H new ATOM 0 HB2 LYS A 28 34.977 12.396 29.267 1.00 25.00 H new ATOM 0 HB3 LYS A 28 35.538 10.751 29.043 1.00 25.00 H new ATOM 0 HG2 LYS A 28 37.343 11.585 27.519 1.00 25.00 H new ATOM 0 HG3 LYS A 28 36.790 13.228 27.775 1.00 25.00 H new ATOM 0 HD2 LYS A 28 37.284 13.049 30.178 1.00 25.00 H new ATOM 0 HD3 LYS A 28 37.765 11.376 29.975 1.00 25.00 H new ATOM 0 HE2 LYS A 28 39.518 12.205 28.286 1.00 25.00 H new ATOM 0 HE3 LYS A 28 39.128 13.834 28.800 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 41.013 12.880 30.037 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 39.722 13.266 31.070 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 40.008 11.649 30.636 1.00 25.00 H new ATOM 393 N VAL A 29 35.802 11.107 25.259 1.00 25.00 N ATOM 394 CA VAL A 29 36.586 10.296 24.325 1.00 25.00 C ATOM 395 C VAL A 29 37.852 11.105 24.074 1.00 25.00 C ATOM 396 O VAL A 29 37.775 12.322 23.931 1.00 25.00 O ATOM 397 CB VAL A 29 35.825 10.054 22.981 1.00 25.00 C ATOM 398 CG1 VAL A 29 36.651 9.193 22.007 1.00 50.00 C ATOM 399 CG2 VAL A 29 34.480 9.363 23.230 1.00 50.00 C ATOM 0 H VAL A 29 35.735 12.090 24.994 1.00 25.00 H new ATOM 0 HA VAL A 29 36.789 9.307 24.736 1.00 25.00 H new ATOM 0 HB VAL A 29 35.658 11.034 22.534 1.00 25.00 H new ATOM 0 HG11 VAL A 29 36.089 9.047 21.085 1.00 50.00 H new ATOM 0 HG12 VAL A 29 37.591 9.697 21.783 1.00 50.00 H new ATOM 0 HG13 VAL A 29 36.858 8.225 22.463 1.00 50.00 H new ATOM 0 HG21 VAL A 29 33.970 9.206 22.279 1.00 50.00 H new ATOM 0 HG22 VAL A 29 34.649 8.401 23.714 1.00 50.00 H new ATOM 0 HG23 VAL A 29 33.863 9.990 23.874 1.00 50.00 H new ATOM 409 N ILE A 30 39.014 10.476 24.026 1.00 25.00 N ATOM 410 CA ILE A 30 40.225 11.163 23.571 1.00 25.00 C ATOM 411 C ILE A 30 40.370 10.793 22.091 1.00 25.00 C ATOM 412 O ILE A 30 40.299 9.622 21.722 1.00 25.00 O ATOM 413 CB ILE A 30 41.463 10.780 24.431 1.00 25.00 C ATOM 414 CG1 ILE A 30 41.190 11.165 25.903 1.00 25.00 C ATOM 415 CG2 ILE A 30 42.738 11.489 23.901 1.00 25.00 C ATOM 416 CD1 ILE A 30 42.233 10.711 26.921 1.00 25.00 C ATOM 0 H ILE A 30 39.151 9.501 24.292 1.00 25.00 H new ATOM 0 HA ILE A 30 40.153 12.244 23.687 1.00 25.00 H new ATOM 0 HB ILE A 30 41.634 9.705 24.366 1.00 25.00 H new ATOM 0 HG12 ILE A 30 41.102 12.250 25.963 1.00 25.00 H new ATOM 0 HG13 ILE A 30 40.225 10.750 26.193 1.00 25.00 H new ATOM 0 HG21 ILE A 30 43.593 11.208 24.516 1.00 25.00 H new ATOM 0 HG22 ILE A 30 42.919 11.188 22.869 1.00 25.00 H new ATOM 0 HG23 ILE A 30 42.599 12.569 23.945 1.00 25.00 H new ATOM 0 HD11 ILE A 30 41.935 11.038 27.917 1.00 25.00 H new ATOM 0 HD12 ILE A 30 42.310 9.624 26.903 1.00 25.00 H new ATOM 0 HD13 ILE A 30 43.200 11.147 26.670 1.00 25.00 H new ATOM 428 N GLY A 31 40.517 11.785 21.228 1.00 25.00 N ATOM 429 CA GLY A 31 40.630 11.534 19.801 1.00 25.00 C ATOM 430 C GLY A 31 42.002 11.025 19.403 1.00 25.00 C ATOM 431 O GLY A 31 42.942 11.012 20.199 1.00 25.00 O ATOM 0 H GLY A 31 40.561 12.770 21.490 1.00 25.00 H new ATOM 0 HA2 GLY A 31 39.876 10.805 19.504 1.00 25.00 H new ATOM 0 HA3 GLY A 31 40.416 12.454 19.256 1.00 25.00 H new ATOM 435 N GLN A 32 42.145 10.608 18.153 1.00 25.00 N ATOM 436 CA GLN A 32 43.394 9.997 17.683 1.00 25.00 C ATOM 437 C GLN A 32 44.542 10.987 17.449 1.00 25.00 C ATOM 438 O GLN A 32 45.695 10.584 17.270 1.00 25.00 O ATOM 439 CB GLN A 32 43.105 9.154 16.437 1.00 25.00 C ATOM 440 CG GLN A 32 42.748 9.927 15.177 1.00 25.00 C ATOM 441 CD GLN A 32 42.174 9.017 14.111 1.00 25.00 C ATOM 442 OE1 GLN A 32 42.840 8.130 13.594 1.00 25.00 O ATOM 443 NE2 GLN A 32 40.923 9.210 13.797 1.00 25.00 N ATOM 0 H GLN A 32 41.417 10.679 17.442 1.00 25.00 H new ATOM 0 HA GLN A 32 43.757 9.359 18.489 1.00 25.00 H new ATOM 0 HB2 GLN A 32 43.981 8.540 16.227 1.00 25.00 H new ATOM 0 HB3 GLN A 32 42.286 8.473 16.666 1.00 25.00 H new ATOM 0 HG2 GLN A 32 42.025 10.706 15.419 1.00 25.00 H new ATOM 0 HG3 GLN A 32 43.637 10.426 14.791 1.00 25.00 H new ATOM 0 HE21 GLN A 32 40.394 9.958 14.246 1.00 25.00 H new ATOM 0 HE22 GLN A 32 40.473 8.613 13.103 1.00 25.00 H new ATOM 452 N ASP A 33 44.239 12.277 17.532 1.00 25.00 N ATOM 453 CA ASP A 33 45.245 13.347 17.492 1.00 25.00 C ATOM 454 C ASP A 33 45.310 14.011 18.870 1.00 25.00 C ATOM 455 O ASP A 33 45.648 15.185 19.021 1.00 25.00 O ATOM 456 CB ASP A 33 44.914 14.371 16.403 1.00 25.00 C ATOM 457 CG ASP A 33 46.064 15.328 16.131 1.00 25.00 C ATOM 458 OD1 ASP A 33 47.249 14.970 16.330 1.00 25.00 O ATOM 459 OD2 ASP A 33 45.801 16.467 15.696 1.00 25.00 O ATOM 0 H ASP A 33 43.283 12.619 17.630 1.00 25.00 H new ATOM 0 HA ASP A 33 46.219 12.923 17.247 1.00 25.00 H new ATOM 0 HB2 ASP A 33 44.657 13.847 15.483 1.00 25.00 H new ATOM 0 HB3 ASP A 33 44.034 14.941 16.701 1.00 25.00 H new ATOM 464 N SER A 34 44.928 13.225 19.869 1.00 25.00 N ATOM 465 CA SER A 34 44.940 13.586 21.290 1.00 25.00 C ATOM 466 C SER A 34 44.078 14.769 21.732 1.00 25.00 C ATOM 467 O SER A 34 44.207 15.229 22.867 1.00 25.00 O ATOM 468 CB SER A 34 46.384 13.781 21.763 1.00 25.00 C ATOM 469 OG SER A 34 47.147 12.621 21.471 1.00 25.00 O ATOM 0 H SER A 34 44.586 12.277 19.709 1.00 25.00 H new ATOM 0 HA SER A 34 44.459 12.735 21.772 1.00 25.00 H new ATOM 0 HB2 SER A 34 46.823 14.649 21.272 1.00 25.00 H new ATOM 0 HB3 SER A 34 46.402 13.979 22.835 1.00 25.00 H new ATOM 0 HG SER A 34 48.070 12.752 21.774 1.00 25.00 H new ATOM 475 N SER A 35 43.177 15.248 20.886 1.00 25.00 N ATOM 476 CA SER A 35 42.248 16.293 21.308 1.00 25.00 C ATOM 477 C SER A 35 41.192 15.633 22.191 1.00 25.00 C ATOM 478 O SER A 35 40.751 14.520 21.915 1.00 25.00 O ATOM 479 CB SER A 35 41.599 16.968 20.099 1.00 25.00 C ATOM 480 OG SER A 35 42.590 17.615 19.310 1.00 25.00 O ATOM 0 H SER A 35 43.068 14.939 19.920 1.00 25.00 H new ATOM 0 HA SER A 35 42.776 17.071 21.860 1.00 25.00 H new ATOM 0 HB2 SER A 35 41.072 16.227 19.498 1.00 25.00 H new ATOM 0 HB3 SER A 35 40.858 17.694 20.433 1.00 25.00 H new ATOM 0 HG SER A 35 42.165 18.043 18.537 1.00 25.00 H new ATOM 486 N GLU A 36 40.818 16.282 23.280 1.00 25.00 N ATOM 487 CA GLU A 36 39.864 15.705 24.226 1.00 25.00 C ATOM 488 C GLU A 36 38.447 16.135 23.838 1.00 25.00 C ATOM 489 O GLU A 36 38.208 17.312 23.537 1.00 25.00 O ATOM 490 CB GLU A 36 40.215 16.162 25.644 1.00 25.00 C ATOM 491 CG GLU A 36 41.604 15.710 26.102 1.00 25.00 C ATOM 492 CD GLU A 36 41.968 16.254 27.473 1.00 25.00 C ATOM 493 OE1 GLU A 36 41.266 15.955 28.465 1.00 25.00 O ATOM 494 OE2 GLU A 36 42.963 17.011 27.587 1.00 25.00 O ATOM 0 H GLU A 36 41.157 17.209 23.536 1.00 25.00 H new ATOM 0 HA GLU A 36 39.913 14.616 24.197 1.00 25.00 H new ATOM 0 HB2 GLU A 36 40.161 17.250 25.691 1.00 25.00 H new ATOM 0 HB3 GLU A 36 39.468 15.776 26.338 1.00 25.00 H new ATOM 0 HG2 GLU A 36 41.639 14.621 26.125 1.00 25.00 H new ATOM 0 HG3 GLU A 36 42.347 16.037 25.375 1.00 25.00 H new ATOM 501 N ILE A 37 37.522 15.186 23.798 1.00 25.00 N ATOM 502 CA ILE A 37 36.162 15.405 23.304 1.00 25.00 C ATOM 503 C ILE A 37 35.200 15.109 24.454 1.00 25.00 C ATOM 504 O ILE A 37 35.282 14.046 25.069 1.00 25.00 O ATOM 505 CB ILE A 37 35.856 14.463 22.091 1.00 25.00 C ATOM 506 CG1 ILE A 37 36.927 14.632 20.989 1.00 25.00 C ATOM 507 CG2 ILE A 37 34.437 14.732 21.528 1.00 25.00 C ATOM 508 CD1 ILE A 37 36.892 13.584 19.872 1.00 25.00 C ATOM 0 H ILE A 37 37.693 14.230 24.110 1.00 25.00 H new ATOM 0 HA ILE A 37 36.048 16.433 22.961 1.00 25.00 H new ATOM 0 HB ILE A 37 35.888 13.432 22.443 1.00 25.00 H new ATOM 0 HG12 ILE A 37 36.811 15.619 20.542 1.00 25.00 H new ATOM 0 HG13 ILE A 37 37.912 14.608 21.456 1.00 25.00 H new ATOM 0 HG21 ILE A 37 34.247 14.066 20.686 1.00 25.00 H new ATOM 0 HG22 ILE A 37 33.696 14.552 22.307 1.00 25.00 H new ATOM 0 HG23 ILE A 37 34.368 15.767 21.194 1.00 25.00 H new ATOM 0 HD11 ILE A 37 37.683 13.793 19.152 1.00 25.00 H new ATOM 0 HD12 ILE A 37 37.043 12.592 20.299 1.00 25.00 H new ATOM 0 HD13 ILE A 37 35.925 13.620 19.370 1.00 25.00 H new ATOM 520 N HIS A 38 34.318 16.053 24.757 1.00 25.00 N ATOM 521 CA HIS A 38 33.394 15.958 25.891 1.00 25.00 C ATOM 522 C HIS A 38 31.945 16.291 25.505 1.00 25.00 C ATOM 523 O HIS A 38 31.201 16.874 26.290 1.00 25.00 O ATOM 524 CB HIS A 38 33.843 16.901 27.015 1.00 25.00 C ATOM 525 CG HIS A 38 35.199 16.593 27.571 1.00 25.00 C ATOM 526 ND1 HIS A 38 36.364 17.196 27.165 1.00 25.00 N ATOM 527 CD2 HIS A 38 35.572 15.746 28.564 1.00 25.00 C ATOM 528 CE1 HIS A 38 37.359 16.729 27.922 1.00 25.00 C ATOM 529 NE2 HIS A 38 36.926 15.845 28.799 1.00 25.00 N ATOM 0 H HIS A 38 34.219 16.915 24.221 1.00 25.00 H new ATOM 0 HA HIS A 38 33.418 14.922 26.229 1.00 25.00 H new ATOM 0 HB2 HIS A 38 33.841 17.924 26.638 1.00 25.00 H new ATOM 0 HB3 HIS A 38 33.113 16.858 27.823 1.00 25.00 H new ATOM 0 HD2 HIS A 38 34.901 15.087 29.095 1.00 25.00 H new ATOM 0 HE1 HIS A 38 38.390 17.037 27.828 1.00 25.00 H new ATOM 0 HE2 HIS A 38 37.474 15.344 29.499 1.00 25.00 H new ATOM 537 N PHE A 39 31.538 15.998 24.280 1.00 25.00 N ATOM 538 CA PHE A 39 30.169 16.305 23.848 1.00 25.00 C ATOM 539 C PHE A 39 29.141 15.304 24.379 1.00 25.00 C ATOM 540 O PHE A 39 29.466 14.136 24.625 1.00 25.00 O ATOM 541 CB PHE A 39 30.069 16.279 22.321 1.00 25.00 C ATOM 542 CG PHE A 39 30.847 17.362 21.631 1.00 25.00 C ATOM 543 CD1 PHE A 39 30.678 18.713 21.988 1.00 25.00 C ATOM 544 CD2 PHE A 39 31.718 17.036 20.576 1.00 25.00 C ATOM 545 CE1 PHE A 39 31.378 19.735 21.303 1.00 25.00 C ATOM 546 CE2 PHE A 39 32.418 18.048 19.873 1.00 25.00 C ATOM 547 CZ PHE A 39 32.240 19.401 20.236 1.00 25.00 C ATOM 0 H PHE A 39 32.121 15.554 23.570 1.00 25.00 H new ATOM 0 HA PHE A 39 29.949 17.295 24.249 1.00 25.00 H new ATOM 0 HB2 PHE A 39 30.420 15.311 21.962 1.00 25.00 H new ATOM 0 HB3 PHE A 39 29.020 16.364 22.036 1.00 25.00 H new ATOM 0 HD1 PHE A 39 30.007 18.973 22.793 1.00 25.00 H new ATOM 0 HD2 PHE A 39 31.855 16.001 20.298 1.00 25.00 H new ATOM 0 HE1 PHE A 39 31.253 20.767 21.596 1.00 25.00 H new ATOM 0 HE2 PHE A 39 33.084 17.786 19.064 1.00 25.00 H new ATOM 0 HZ PHE A 39 32.762 20.179 19.698 1.00 25.00 H new ATOM 557 N LYS A 40 27.880 15.722 24.439 1.00 25.00 N ATOM 558 CA LYS A 40 26.768 14.775 24.560 1.00 25.00 C ATOM 559 C LYS A 40 26.616 14.074 23.218 1.00 25.00 C ATOM 560 O LYS A 40 26.374 14.716 22.189 1.00 25.00 O ATOM 561 CB LYS A 40 25.449 15.455 24.937 1.00 25.00 C ATOM 562 CG LYS A 40 25.369 15.890 26.393 1.00 25.00 C ATOM 563 CD LYS A 40 24.001 16.480 26.701 1.00 25.00 C ATOM 564 CE LYS A 40 23.850 16.827 28.180 1.00 25.00 C ATOM 565 NZ LYS A 40 22.503 17.423 28.479 1.00 25.00 N ATOM 0 H LYS A 40 27.600 16.702 24.406 1.00 25.00 H new ATOM 0 HA LYS A 40 26.994 14.072 25.362 1.00 25.00 H new ATOM 0 HB2 LYS A 40 25.307 16.328 24.300 1.00 25.00 H new ATOM 0 HB3 LYS A 40 24.627 14.771 24.728 1.00 25.00 H new ATOM 0 HG2 LYS A 40 25.558 15.036 27.044 1.00 25.00 H new ATOM 0 HG3 LYS A 40 26.144 16.627 26.601 1.00 25.00 H new ATOM 0 HD2 LYS A 40 23.849 17.377 26.100 1.00 25.00 H new ATOM 0 HD3 LYS A 40 23.226 15.769 26.414 1.00 25.00 H new ATOM 0 HE2 LYS A 40 23.991 15.928 28.780 1.00 25.00 H new ATOM 0 HE3 LYS A 40 24.631 17.530 28.470 1.00 25.00 H new ATOM 0 HZ1 LYS A 40 22.439 17.645 29.493 1.00 25.00 H new ATOM 0 HZ2 LYS A 40 22.378 18.294 27.925 1.00 25.00 H new ATOM 0 HZ3 LYS A 40 21.758 16.742 28.226 1.00 25.00 H new ATOM 579 N VAL A 41 26.806 12.767 23.247 1.00 25.00 N ATOM 580 CA VAL A 41 26.795 11.901 22.066 1.00 25.00 C ATOM 581 C VAL A 41 26.078 10.626 22.478 1.00 25.00 C ATOM 582 O VAL A 41 25.859 10.411 23.673 1.00 25.00 O ATOM 583 CB VAL A 41 28.240 11.542 21.594 1.00 25.00 C ATOM 584 CG1 VAL A 41 28.952 12.770 21.027 1.00 50.00 C ATOM 585 CG2 VAL A 41 29.072 10.947 22.735 1.00 50.00 C ATOM 0 H VAL A 41 26.978 12.258 24.114 1.00 25.00 H new ATOM 0 HA VAL A 41 26.303 12.411 21.238 1.00 25.00 H new ATOM 0 HB VAL A 41 28.143 10.792 20.809 1.00 25.00 H new ATOM 0 HG11 VAL A 41 29.956 12.492 20.706 1.00 50.00 H new ATOM 0 HG12 VAL A 41 28.392 13.154 20.175 1.00 50.00 H new ATOM 0 HG13 VAL A 41 29.017 13.540 21.796 1.00 50.00 H new ATOM 0 HG21 VAL A 41 30.071 10.709 22.371 1.00 50.00 H new ATOM 0 HG22 VAL A 41 29.144 11.670 23.548 1.00 50.00 H new ATOM 0 HG23 VAL A 41 28.593 10.038 23.099 1.00 50.00 H new ATOM 595 N LYS A 42 25.754 9.773 21.517 1.00 25.00 N ATOM 596 CA LYS A 42 25.108 8.484 21.767 1.00 25.00 C ATOM 597 C LYS A 42 25.892 7.670 22.793 1.00 25.00 C ATOM 598 O LYS A 42 27.127 7.657 22.777 1.00 25.00 O ATOM 599 CB LYS A 42 25.024 7.736 20.433 1.00 25.00 C ATOM 600 CG LYS A 42 24.223 6.447 20.457 1.00 25.00 C ATOM 601 CD LYS A 42 24.182 5.833 19.074 1.00 25.00 C ATOM 602 CE LYS A 42 23.381 4.544 19.066 1.00 25.00 C ATOM 603 NZ LYS A 42 23.278 4.011 17.669 1.00 25.00 N ATOM 0 H LYS A 42 25.933 9.955 20.529 1.00 25.00 H new ATOM 0 HA LYS A 42 24.110 8.640 22.177 1.00 25.00 H new ATOM 0 HB2 LYS A 42 24.586 8.402 19.690 1.00 25.00 H new ATOM 0 HB3 LYS A 42 26.036 7.508 20.099 1.00 25.00 H new ATOM 0 HG2 LYS A 42 24.670 5.745 21.162 1.00 25.00 H new ATOM 0 HG3 LYS A 42 23.209 6.646 20.805 1.00 25.00 H new ATOM 0 HD2 LYS A 42 23.742 6.541 18.372 1.00 25.00 H new ATOM 0 HD3 LYS A 42 25.198 5.635 18.732 1.00 25.00 H new ATOM 0 HE2 LYS A 42 23.858 3.806 19.711 1.00 25.00 H new ATOM 0 HE3 LYS A 42 22.385 4.723 19.470 1.00 25.00 H new ATOM 0 HZ1 LYS A 42 22.728 3.128 17.674 1.00 25.00 H new ATOM 0 HZ2 LYS A 42 22.803 4.711 17.064 1.00 25.00 H new ATOM 0 HZ3 LYS A 42 24.231 3.823 17.298 1.00 25.00 H new ATOM 617 N MET A 43 25.175 6.985 23.676 1.00 25.00 N ATOM 618 CA MET A 43 25.803 6.134 24.689 1.00 25.00 C ATOM 619 C MET A 43 26.631 5.042 24.022 1.00 25.00 C ATOM 620 O MET A 43 26.336 4.628 22.898 1.00 25.00 O ATOM 621 CB MET A 43 24.753 5.472 25.583 1.00 25.00 C ATOM 622 CG MET A 43 24.018 6.442 26.477 1.00 25.00 C ATOM 623 SD MET A 43 23.012 5.565 27.680 1.00 25.00 S ATOM 624 CE MET A 43 22.341 6.901 28.655 1.00 25.00 C ATOM 0 H MET A 43 24.156 7.000 23.714 1.00 25.00 H new ATOM 0 HA MET A 43 26.444 6.770 25.299 1.00 25.00 H new ATOM 0 HB2 MET A 43 24.030 4.951 24.955 1.00 25.00 H new ATOM 0 HB3 MET A 43 25.239 4.718 26.202 1.00 25.00 H new ATOM 0 HG2 MET A 43 24.734 7.082 26.993 1.00 25.00 H new ATOM 0 HG3 MET A 43 23.386 7.093 25.873 1.00 25.00 H new ATOM 0 HE1 MET A 43 21.604 6.506 29.355 1.00 25.00 H new ATOM 0 HE2 MET A 43 23.144 7.386 29.209 1.00 25.00 H new ATOM 0 HE3 MET A 43 21.864 7.627 27.997 1.00 25.00 H new ATOM 634 N THR A 44 27.656 4.572 24.716 1.00 25.00 N ATOM 635 CA THR A 44 28.580 3.587 24.157 1.00 25.00 C ATOM 636 C THR A 44 27.894 2.274 23.812 1.00 25.00 C ATOM 637 O THR A 44 26.831 1.946 24.332 1.00 25.00 O ATOM 638 CB THR A 44 29.732 3.262 25.132 1.00 25.00 C ATOM 639 OG1 THR A 44 29.208 2.881 26.410 1.00 25.00 O ATOM 640 CG2 THR A 44 30.630 4.457 25.346 1.00 25.00 C ATOM 0 H THR A 44 27.873 4.856 25.671 1.00 25.00 H new ATOM 0 HA THR A 44 28.969 4.048 23.249 1.00 25.00 H new ATOM 0 HB THR A 44 30.304 2.448 24.687 1.00 25.00 H new ATOM 0 HG1 THR A 44 29.903 2.985 27.093 1.00 25.00 H new ATOM 0 HG21 THR A 44 31.430 4.192 26.038 1.00 25.00 H new ATOM 0 HG22 THR A 44 31.061 4.763 24.393 1.00 25.00 H new ATOM 0 HG23 THR A 44 30.048 5.279 25.762 1.00 25.00 H new ATOM 648 N THR A 45 28.513 1.531 22.913 1.00 25.00 N ATOM 649 CA THR A 45 28.013 0.247 22.452 1.00 25.00 C ATOM 650 C THR A 45 29.153 -0.730 22.686 1.00 25.00 C ATOM 651 O THR A 45 30.275 -0.315 23.015 1.00 25.00 O ATOM 652 CB THR A 45 27.672 0.320 20.949 1.00 25.00 C ATOM 653 OG1 THR A 45 28.815 0.803 20.243 1.00 25.00 O ATOM 654 CG2 THR A 45 26.543 1.300 20.679 1.00 25.00 C ATOM 0 H THR A 45 29.392 1.807 22.475 1.00 25.00 H new ATOM 0 HA THR A 45 27.105 -0.053 22.975 1.00 25.00 H new ATOM 0 HB THR A 45 27.375 -0.678 20.627 1.00 25.00 H new ATOM 0 HG1 THR A 45 28.611 0.852 19.286 1.00 25.00 H new ATOM 0 HG21 THR A 45 26.331 1.325 19.610 1.00 25.00 H new ATOM 0 HG22 THR A 45 25.650 0.985 21.219 1.00 25.00 H new ATOM 0 HG23 THR A 45 26.837 2.295 21.014 1.00 25.00 H new ATOM 662 N HIS A 46 28.878 -2.014 22.529 1.00 25.00 N ATOM 663 CA HIS A 46 29.918 -3.034 22.578 1.00 25.00 C ATOM 664 C HIS A 46 30.962 -2.750 21.491 1.00 25.00 C ATOM 665 O HIS A 46 30.652 -2.226 20.416 1.00 25.00 O ATOM 666 CB HIS A 46 29.296 -4.429 22.430 1.00 25.00 C ATOM 667 CG HIS A 46 28.570 -4.639 21.136 1.00 25.00 C ATOM 668 ND1 HIS A 46 27.290 -4.206 20.873 1.00 25.00 N ATOM 669 CD2 HIS A 46 28.957 -5.280 20.004 1.00 25.00 C ATOM 670 CE1 HIS A 46 26.982 -4.551 19.621 1.00 25.00 C ATOM 671 NE2 HIS A 46 27.968 -5.213 19.047 1.00 25.00 N ATOM 0 H HIS A 46 27.939 -2.378 22.366 1.00 25.00 H new ATOM 0 HA HIS A 46 30.422 -3.006 23.544 1.00 25.00 H new ATOM 0 HB2 HIS A 46 30.083 -5.178 22.519 1.00 25.00 H new ATOM 0 HB3 HIS A 46 28.603 -4.596 23.255 1.00 25.00 H new ATOM 0 HD2 HIS A 46 29.908 -5.774 19.872 1.00 25.00 H new ATOM 0 HE1 HIS A 46 26.044 -4.318 19.139 1.00 25.00 H new ATOM 0 HE2 HIS A 46 27.993 -5.593 18.101 1.00 25.00 H new ATOM 679 N LEU A 47 32.214 -3.059 21.799 1.00 25.00 N ATOM 680 CA LEU A 47 33.368 -2.617 21.012 1.00 25.00 C ATOM 681 C LEU A 47 33.320 -3.036 19.548 1.00 25.00 C ATOM 682 O LEU A 47 33.697 -2.255 18.676 1.00 25.00 O ATOM 683 CB LEU A 47 34.640 -3.127 21.702 1.00 25.00 C ATOM 684 CG LEU A 47 36.062 -2.702 21.291 1.00 25.00 C ATOM 685 CD1 LEU A 47 36.611 -3.416 20.057 1.00 50.00 C ATOM 686 CD2 LEU A 47 36.177 -1.189 21.110 1.00 50.00 C ATOM 0 H LEU A 47 32.464 -3.628 22.608 1.00 25.00 H new ATOM 0 HA LEU A 47 33.356 -1.528 20.981 1.00 25.00 H new ATOM 0 HB2 LEU A 47 34.538 -2.875 22.757 1.00 25.00 H new ATOM 0 HB3 LEU A 47 34.612 -4.214 21.630 1.00 25.00 H new ATOM 0 HG LEU A 47 36.684 -3.016 22.130 1.00 25.00 H new ATOM 0 HD11 LEU A 47 37.616 -3.053 19.844 1.00 50.00 H new ATOM 0 HD12 LEU A 47 36.645 -4.490 20.243 1.00 50.00 H new ATOM 0 HD13 LEU A 47 35.964 -3.216 19.203 1.00 50.00 H new ATOM 0 HD21 LEU A 47 37.196 -0.934 20.820 1.00 50.00 H new ATOM 0 HD22 LEU A 47 35.486 -0.862 20.333 1.00 50.00 H new ATOM 0 HD23 LEU A 47 35.931 -0.691 22.048 1.00 50.00 H new ATOM 698 N LYS A 48 32.786 -4.219 19.267 1.00 25.00 N ATOM 699 CA LYS A 48 32.626 -4.698 17.888 1.00 25.00 C ATOM 700 C LYS A 48 31.885 -3.692 17.017 1.00 25.00 C ATOM 701 O LYS A 48 32.268 -3.454 15.867 1.00 25.00 O ATOM 702 CB LYS A 48 31.851 -6.021 17.892 1.00 25.00 C ATOM 703 CG LYS A 48 31.829 -6.765 16.570 1.00 25.00 C ATOM 704 CD LYS A 48 30.950 -7.997 16.682 1.00 25.00 C ATOM 705 CE LYS A 48 30.969 -8.818 15.398 1.00 25.00 C ATOM 706 NZ LYS A 48 30.121 -10.043 15.541 1.00 25.00 N ATOM 0 H LYS A 48 32.453 -4.872 19.977 1.00 25.00 H new ATOM 0 HA LYS A 48 33.623 -4.838 17.470 1.00 25.00 H new ATOM 0 HB2 LYS A 48 32.284 -6.674 18.650 1.00 25.00 H new ATOM 0 HB3 LYS A 48 30.823 -5.820 18.194 1.00 25.00 H new ATOM 0 HG2 LYS A 48 31.455 -6.112 15.782 1.00 25.00 H new ATOM 0 HG3 LYS A 48 32.842 -7.055 16.290 1.00 25.00 H new ATOM 0 HD2 LYS A 48 31.291 -8.613 17.514 1.00 25.00 H new ATOM 0 HD3 LYS A 48 29.927 -7.696 16.907 1.00 25.00 H new ATOM 0 HE2 LYS A 48 30.605 -8.213 14.568 1.00 25.00 H new ATOM 0 HE3 LYS A 48 31.993 -9.104 15.159 1.00 25.00 H new ATOM 0 HZ1 LYS A 48 30.147 -10.589 14.656 1.00 25.00 H new ATOM 0 HZ2 LYS A 48 30.485 -10.628 16.320 1.00 25.00 H new ATOM 0 HZ3 LYS A 48 29.140 -9.764 15.747 1.00 25.00 H new ATOM 720 N LYS A 49 30.846 -3.076 17.567 1.00 25.00 N ATOM 721 CA LYS A 49 30.093 -2.063 16.834 1.00 25.00 C ATOM 722 C LYS A 49 30.781 -0.714 16.944 1.00 25.00 C ATOM 723 O LYS A 49 30.922 -0.015 15.954 1.00 25.00 O ATOM 724 CB LYS A 49 28.663 -1.965 17.375 1.00 25.00 C ATOM 725 CG LYS A 49 27.726 -1.194 16.459 1.00 25.00 C ATOM 726 CD LYS A 49 26.351 -1.031 17.089 1.00 25.00 C ATOM 727 CE LYS A 49 25.363 -0.384 16.124 1.00 25.00 C ATOM 728 NZ LYS A 49 25.763 0.991 15.675 1.00 25.00 N ATOM 0 H LYS A 49 30.506 -3.257 18.512 1.00 25.00 H new ATOM 0 HA LYS A 49 30.053 -2.355 15.785 1.00 25.00 H new ATOM 0 HB2 LYS A 49 28.269 -2.970 17.524 1.00 25.00 H new ATOM 0 HB3 LYS A 49 28.684 -1.482 18.352 1.00 25.00 H new ATOM 0 HG2 LYS A 49 28.149 -0.213 16.244 1.00 25.00 H new ATOM 0 HG3 LYS A 49 27.633 -1.716 15.507 1.00 25.00 H new ATOM 0 HD2 LYS A 49 25.974 -2.006 17.397 1.00 25.00 H new ATOM 0 HD3 LYS A 49 26.433 -0.422 17.989 1.00 25.00 H new ATOM 0 HE2 LYS A 49 25.253 -1.024 15.248 1.00 25.00 H new ATOM 0 HE3 LYS A 49 24.385 -0.329 16.603 1.00 25.00 H new ATOM 0 HZ1 LYS A 49 25.028 1.379 15.050 1.00 25.00 H new ATOM 0 HZ2 LYS A 49 25.873 1.609 16.504 1.00 25.00 H new ATOM 0 HZ3 LYS A 49 26.665 0.939 15.159 1.00 25.00 H new ATOM 742 N LEU A 50 31.243 -0.354 18.133 1.00 25.00 N ATOM 743 CA LEU A 50 31.818 0.975 18.359 1.00 25.00 C ATOM 744 C LEU A 50 33.044 1.270 17.496 1.00 25.00 C ATOM 745 O LEU A 50 33.157 2.337 16.894 1.00 25.00 O ATOM 746 CB LEU A 50 32.184 1.123 19.842 1.00 25.00 C ATOM 747 CG LEU A 50 32.580 2.516 20.357 1.00 25.00 C ATOM 748 CD1 LEU A 50 31.469 3.553 20.158 1.00 50.00 C ATOM 749 CD2 LEU A 50 32.928 2.427 21.838 1.00 50.00 C ATOM 0 H LEU A 50 31.234 -0.957 18.956 1.00 25.00 H new ATOM 0 HA LEU A 50 31.057 1.699 18.069 1.00 25.00 H new ATOM 0 HB2 LEU A 50 31.333 0.780 20.431 1.00 25.00 H new ATOM 0 HB3 LEU A 50 33.011 0.444 20.050 1.00 25.00 H new ATOM 0 HG LEU A 50 33.442 2.845 19.777 1.00 25.00 H new ATOM 0 HD11 LEU A 50 31.801 4.519 20.539 1.00 50.00 H new ATOM 0 HD12 LEU A 50 31.239 3.641 19.096 1.00 50.00 H new ATOM 0 HD13 LEU A 50 30.576 3.238 20.697 1.00 50.00 H new ATOM 0 HD21 LEU A 50 33.209 3.414 22.206 1.00 50.00 H new ATOM 0 HD22 LEU A 50 32.063 2.066 22.394 1.00 50.00 H new ATOM 0 HD23 LEU A 50 33.761 1.738 21.975 1.00 50.00 H new ATOM 761 N LYS A 51 33.952 0.309 17.392 1.00 25.00 N ATOM 762 CA LYS A 51 35.164 0.478 16.589 1.00 25.00 C ATOM 763 C LYS A 51 34.810 0.558 15.105 1.00 25.00 C ATOM 764 O LYS A 51 35.443 1.289 14.337 1.00 25.00 O ATOM 765 CB LYS A 51 36.114 -0.689 16.881 1.00 25.00 C ATOM 766 CG LYS A 51 37.456 -0.611 16.177 1.00 25.00 C ATOM 767 CD LYS A 51 38.304 -1.841 16.461 1.00 25.00 C ATOM 768 CE LYS A 51 39.597 -1.837 15.648 1.00 25.00 C ATOM 769 NZ LYS A 51 39.380 -1.990 14.164 1.00 25.00 N ATOM 0 H LYS A 51 33.876 -0.598 17.853 1.00 25.00 H new ATOM 0 HA LYS A 51 35.662 1.411 16.852 1.00 25.00 H new ATOM 0 HB2 LYS A 51 36.286 -0.738 17.956 1.00 25.00 H new ATOM 0 HB3 LYS A 51 35.623 -1.619 16.594 1.00 25.00 H new ATOM 0 HG2 LYS A 51 37.300 -0.515 15.103 1.00 25.00 H new ATOM 0 HG3 LYS A 51 37.988 0.283 16.503 1.00 25.00 H new ATOM 0 HD2 LYS A 51 38.543 -1.881 17.524 1.00 25.00 H new ATOM 0 HD3 LYS A 51 37.731 -2.739 16.229 1.00 25.00 H new ATOM 0 HE2 LYS A 51 40.130 -0.905 15.834 1.00 25.00 H new ATOM 0 HE3 LYS A 51 40.238 -2.646 15.998 1.00 25.00 H new ATOM 0 HZ1 LYS A 51 40.297 -2.115 13.690 1.00 25.00 H new ATOM 0 HZ2 LYS A 51 38.782 -2.821 13.985 1.00 25.00 H new ATOM 0 HZ3 LYS A 51 38.911 -1.139 13.792 1.00 25.00 H new ATOM 783 N GLU A 52 33.768 -0.152 14.697 1.00 25.00 N ATOM 784 CA GLU A 52 33.303 -0.065 13.316 1.00 25.00 C ATOM 785 C GLU A 52 32.675 1.304 13.056 1.00 25.00 C ATOM 786 O GLU A 52 32.953 1.918 12.033 1.00 25.00 O ATOM 787 CB GLU A 52 32.312 -1.185 12.982 1.00 25.00 C ATOM 788 CG GLU A 52 31.939 -1.215 11.505 1.00 25.00 C ATOM 789 CD GLU A 52 31.069 -2.401 11.140 1.00 25.00 C ATOM 790 OE1 GLU A 52 31.519 -3.555 11.312 1.00 25.00 O ATOM 791 OE2 GLU A 52 29.924 -2.210 10.656 1.00 25.00 O ATOM 0 H GLU A 52 33.234 -0.786 15.291 1.00 25.00 H new ATOM 0 HA GLU A 52 34.167 -0.188 12.663 1.00 25.00 H new ATOM 0 HB2 GLU A 52 32.746 -2.145 13.263 1.00 25.00 H new ATOM 0 HB3 GLU A 52 31.409 -1.056 13.579 1.00 25.00 H new ATOM 0 HG2 GLU A 52 31.415 -0.294 11.249 1.00 25.00 H new ATOM 0 HG3 GLU A 52 32.849 -1.241 10.906 1.00 25.00 H new ATOM 798 N SER A 53 31.893 1.834 13.986 1.00 25.00 N ATOM 799 CA SER A 53 31.302 3.161 13.804 1.00 25.00 C ATOM 800 C SER A 53 32.386 4.218 13.615 1.00 25.00 C ATOM 801 O SER A 53 32.265 5.105 12.771 1.00 25.00 O ATOM 802 CB SER A 53 30.440 3.542 15.009 1.00 25.00 C ATOM 803 OG SER A 53 29.524 2.511 15.339 1.00 25.00 O ATOM 0 H SER A 53 31.653 1.376 14.865 1.00 25.00 H new ATOM 0 HA SER A 53 30.678 3.121 12.911 1.00 25.00 H new ATOM 0 HB2 SER A 53 31.081 3.748 15.866 1.00 25.00 H new ATOM 0 HB3 SER A 53 29.894 4.460 14.791 1.00 25.00 H new ATOM 0 HG SER A 53 30.014 1.738 15.689 1.00 25.00 H new ATOM 809 N TYR A 54 33.484 4.094 14.350 1.00 25.00 N ATOM 810 CA TYR A 54 34.602 5.014 14.170 1.00 25.00 C ATOM 811 C TYR A 54 35.288 4.907 12.808 1.00 25.00 C ATOM 812 O TYR A 54 35.690 5.937 12.259 1.00 25.00 O ATOM 813 CB TYR A 54 35.622 4.882 15.304 1.00 25.00 C ATOM 814 CG TYR A 54 35.211 5.709 16.507 1.00 25.00 C ATOM 815 CD1 TYR A 54 35.331 7.112 16.464 1.00 25.00 C ATOM 816 CD2 TYR A 54 34.674 5.119 17.669 1.00 25.00 C ATOM 817 CE1 TYR A 54 34.877 7.919 17.537 1.00 25.00 C ATOM 818 CE2 TYR A 54 34.213 5.927 18.749 1.00 25.00 C ATOM 819 CZ TYR A 54 34.313 7.319 18.664 1.00 25.00 C ATOM 820 OH TYR A 54 33.858 8.121 19.679 1.00 25.00 O ATOM 0 H TYR A 54 33.625 3.379 15.064 1.00 25.00 H new ATOM 0 HA TYR A 54 34.161 6.010 14.204 1.00 25.00 H new ATOM 0 HB2 TYR A 54 35.715 3.835 15.593 1.00 25.00 H new ATOM 0 HB3 TYR A 54 36.603 5.205 14.955 1.00 25.00 H new ATOM 0 HD1 TYR A 54 35.776 7.580 15.599 1.00 25.00 H new ATOM 0 HD2 TYR A 54 34.611 4.043 17.742 1.00 25.00 H new ATOM 0 HE1 TYR A 54 34.967 8.994 17.483 1.00 25.00 H new ATOM 0 HE2 TYR A 54 33.789 5.466 19.629 1.00 25.00 H new ATOM 0 HH TYR A 54 33.491 7.564 20.397 1.00 25.00 H new ATOM 830 N CYS A 55 35.405 3.725 12.215 1.00 25.00 N ATOM 831 CA CYS A 55 36.009 3.655 10.883 1.00 25.00 C ATOM 832 C CYS A 55 35.014 4.109 9.812 1.00 25.00 C ATOM 833 O CYS A 55 35.388 4.825 8.880 1.00 25.00 O ATOM 834 CB CYS A 55 36.587 2.266 10.583 1.00 25.00 C ATOM 835 SG CYS A 55 35.416 0.916 10.288 1.00 25.00 S ATOM 0 H CYS A 55 35.105 2.834 12.611 1.00 25.00 H new ATOM 0 HA CYS A 55 36.853 4.345 10.865 1.00 25.00 H new ATOM 0 HB2 CYS A 55 37.229 2.351 9.706 1.00 25.00 H new ATOM 0 HB3 CYS A 55 37.226 1.980 11.419 1.00 25.00 H new ATOM 0 HG CYS A 55 34.314 1.148 10.938 1.00 25.00 H new ATOM 840 N GLN A 56 33.742 3.767 9.986 1.00 25.00 N ATOM 841 CA GLN A 56 32.691 4.154 9.042 1.00 25.00 C ATOM 842 C GLN A 56 32.549 5.668 8.952 1.00 25.00 C ATOM 843 O GLN A 56 32.523 6.217 7.849 1.00 25.00 O ATOM 844 CB GLN A 56 31.335 3.576 9.473 1.00 25.00 C ATOM 845 CG GLN A 56 31.149 2.072 9.268 1.00 25.00 C ATOM 846 CD GLN A 56 31.000 1.678 7.814 1.00 25.00 C ATOM 847 OE1 GLN A 56 30.212 2.262 7.071 1.00 25.00 O ATOM 848 NE2 GLN A 56 31.723 0.675 7.401 1.00 25.00 N ATOM 0 H GLN A 56 33.408 3.218 10.778 1.00 25.00 H new ATOM 0 HA GLN A 56 32.982 3.757 8.069 1.00 25.00 H new ATOM 0 HB2 GLN A 56 31.187 3.799 10.530 1.00 25.00 H new ATOM 0 HB3 GLN A 56 30.550 4.097 8.924 1.00 25.00 H new ATOM 0 HG2 GLN A 56 32.004 1.546 9.694 1.00 25.00 H new ATOM 0 HG3 GLN A 56 30.267 1.744 9.818 1.00 25.00 H new ATOM 0 HE21 GLN A 56 32.367 0.212 8.042 1.00 25.00 H new ATOM 0 HE22 GLN A 56 31.645 0.353 6.436 1.00 25.00 H new ATOM 857 N ARG A 57 32.489 6.360 10.085 1.00 25.00 N ATOM 858 CA ARG A 57 32.305 7.815 10.064 1.00 25.00 C ATOM 859 C ARG A 57 33.484 8.558 9.446 1.00 25.00 C ATOM 860 O ARG A 57 33.307 9.607 8.839 1.00 25.00 O ATOM 861 CB ARG A 57 31.962 8.351 11.464 1.00 25.00 C ATOM 862 CG ARG A 57 33.099 8.363 12.487 1.00 25.00 C ATOM 863 CD ARG A 57 32.577 8.532 13.914 1.00 25.00 C ATOM 864 NE ARG A 57 31.757 9.738 14.082 1.00 25.00 N ATOM 865 CZ ARG A 57 32.177 10.959 14.376 1.00 25.00 C ATOM 866 NH1 ARG A 57 33.417 11.270 14.648 1.00 25.00 N ATOM 867 NH2 ARG A 57 31.290 11.911 14.410 1.00 25.00 N ATOM 0 H ARG A 57 32.563 5.950 11.016 1.00 25.00 H new ATOM 0 HA ARG A 57 31.455 8.011 9.411 1.00 25.00 H new ATOM 0 HB2 ARG A 57 31.588 9.369 11.357 1.00 25.00 H new ATOM 0 HB3 ARG A 57 31.146 7.752 11.868 1.00 25.00 H new ATOM 0 HG2 ARG A 57 33.663 7.433 12.414 1.00 25.00 H new ATOM 0 HG3 ARG A 57 33.789 9.174 12.254 1.00 25.00 H new ATOM 0 HD2 ARG A 57 31.987 7.657 14.186 1.00 25.00 H new ATOM 0 HD3 ARG A 57 33.421 8.574 14.602 1.00 25.00 H new ATOM 0 HE ARG A 57 30.751 9.623 13.958 1.00 25.00 H new ATOM 0 HH11 ARG A 57 34.137 10.547 14.643 1.00 25.00 H new ATOM 0 HH12 ARG A 57 33.665 12.235 14.866 1.00 25.00 H new ATOM 0 HH21 ARG A 57 30.311 11.703 14.214 1.00 25.00 H new ATOM 0 HH22 ARG A 57 31.574 12.865 14.633 1.00 25.00 H new ATOM 881 N GLN A 58 34.680 7.993 9.547 1.00 25.00 N ATOM 882 CA GLN A 58 35.864 8.615 8.958 1.00 25.00 C ATOM 883 C GLN A 58 36.047 8.219 7.490 1.00 25.00 C ATOM 884 O GLN A 58 36.795 8.855 6.745 1.00 25.00 O ATOM 885 CB GLN A 58 37.082 8.200 9.784 1.00 25.00 C ATOM 886 CG GLN A 58 38.324 9.075 9.613 1.00 25.00 C ATOM 887 CD GLN A 58 39.444 8.676 10.552 1.00 25.00 C ATOM 888 OE1 GLN A 58 39.210 8.151 11.637 1.00 25.00 O ATOM 889 NE2 GLN A 58 40.664 8.907 10.148 1.00 25.00 N ATOM 0 H GLN A 58 34.858 7.111 10.027 1.00 25.00 H new ATOM 0 HA GLN A 58 35.744 9.698 8.975 1.00 25.00 H new ATOM 0 HB2 GLN A 58 36.802 8.200 10.837 1.00 25.00 H new ATOM 0 HB3 GLN A 58 37.343 7.174 9.524 1.00 25.00 H new ATOM 0 HG2 GLN A 58 38.675 9.006 8.583 1.00 25.00 H new ATOM 0 HG3 GLN A 58 38.058 10.117 9.790 1.00 25.00 H new ATOM 0 HE21 GLN A 58 40.827 9.345 9.241 1.00 25.00 H new ATOM 0 HE22 GLN A 58 41.454 8.650 10.739 1.00 25.00 H new ATOM 898 N GLY A 59 35.363 7.168 7.061 1.00 25.00 N ATOM 899 CA GLY A 59 35.502 6.683 5.698 1.00 25.00 C ATOM 900 C GLY A 59 36.770 5.882 5.479 1.00 25.00 C ATOM 901 O GLY A 59 37.327 5.889 4.375 1.00 25.00 O ATOM 0 H GLY A 59 34.709 6.637 7.636 1.00 25.00 H new ATOM 0 HA2 GLY A 59 34.640 6.063 5.449 1.00 25.00 H new ATOM 0 HA3 GLY A 59 35.492 7.532 5.014 1.00 25.00 H new ATOM 905 N VAL A 60 37.254 5.204 6.511 1.00 25.00 N ATOM 906 CA VAL A 60 38.510 4.452 6.425 1.00 25.00 C ATOM 907 C VAL A 60 38.203 2.968 6.623 1.00 25.00 C ATOM 908 O VAL A 60 37.183 2.635 7.233 1.00 25.00 O ATOM 909 CB VAL A 60 39.580 4.964 7.446 1.00 25.00 C ATOM 910 CG1 VAL A 60 39.896 6.441 7.184 1.00 50.00 C ATOM 911 CG2 VAL A 60 39.146 4.768 8.904 1.00 50.00 C ATOM 0 H VAL A 60 36.798 5.156 7.422 1.00 25.00 H new ATOM 0 HA VAL A 60 38.948 4.606 5.439 1.00 25.00 H new ATOM 0 HB VAL A 60 40.477 4.364 7.296 1.00 25.00 H new ATOM 0 HG11 VAL A 60 40.642 6.786 7.900 1.00 50.00 H new ATOM 0 HG12 VAL A 60 40.284 6.556 6.172 1.00 50.00 H new ATOM 0 HG13 VAL A 60 38.987 7.032 7.293 1.00 50.00 H new ATOM 0 HG21 VAL A 60 39.925 5.140 9.569 1.00 50.00 H new ATOM 0 HG22 VAL A 60 38.222 5.317 9.085 1.00 50.00 H new ATOM 0 HG23 VAL A 60 38.982 3.708 9.095 1.00 50.00 H new ATOM 921 N PRO A 61 39.039 2.061 6.088 1.00 25.00 N ATOM 922 CA PRO A 61 38.773 0.631 6.289 1.00 25.00 C ATOM 923 C PRO A 61 38.759 0.143 7.737 1.00 25.00 C ATOM 924 O PRO A 61 39.275 0.786 8.656 1.00 25.00 O ATOM 925 CB PRO A 61 39.943 -0.039 5.563 1.00 25.00 C ATOM 926 CG PRO A 61 40.372 0.933 4.566 1.00 25.00 C ATOM 927 CD PRO A 61 40.245 2.249 5.261 1.00 25.00 C ATOM 0 HA PRO A 61 37.771 0.399 5.929 1.00 25.00 H new ATOM 0 HB2 PRO A 61 40.751 -0.279 6.254 1.00 25.00 H new ATOM 0 HB3 PRO A 61 39.635 -0.974 5.096 1.00 25.00 H new ATOM 0 HG2 PRO A 61 41.397 0.749 4.245 1.00 25.00 H new ATOM 0 HG3 PRO A 61 39.747 0.891 3.674 1.00 25.00 H new ATOM 0 HD2 PRO A 61 41.122 2.473 5.868 1.00 25.00 H new ATOM 0 HD3 PRO A 61 40.128 3.071 4.555 1.00 25.00 H new ATOM 935 N MET A 62 38.210 -1.050 7.923 1.00 25.00 N ATOM 936 CA MET A 62 38.076 -1.686 9.241 1.00 25.00 C ATOM 937 C MET A 62 39.390 -2.077 9.928 1.00 25.00 C ATOM 938 O MET A 62 39.389 -2.486 11.090 1.00 25.00 O ATOM 939 CB MET A 62 37.192 -2.934 9.109 1.00 25.00 C ATOM 940 CG MET A 62 37.836 -4.099 8.351 1.00 25.00 C ATOM 941 SD MET A 62 36.717 -5.507 8.156 1.00 25.00 S ATOM 942 CE MET A 62 35.681 -5.009 6.759 1.00 25.00 C ATOM 0 H MET A 62 37.839 -1.615 7.159 1.00 25.00 H new ATOM 0 HA MET A 62 37.630 -0.925 9.882 1.00 25.00 H new ATOM 0 HB2 MET A 62 36.918 -3.275 10.107 1.00 25.00 H new ATOM 0 HB3 MET A 62 36.268 -2.656 8.602 1.00 25.00 H new ATOM 0 HG2 MET A 62 38.156 -3.755 7.367 1.00 25.00 H new ATOM 0 HG3 MET A 62 38.731 -4.422 8.882 1.00 25.00 H new ATOM 0 HE1 MET A 62 34.955 -5.794 6.546 1.00 25.00 H new ATOM 0 HE2 MET A 62 35.156 -4.087 7.006 1.00 25.00 H new ATOM 0 HE3 MET A 62 36.307 -4.846 5.882 1.00 25.00 H new ATOM 952 N ASN A 63 40.509 -1.958 9.225 1.00 25.00 N ATOM 953 CA ASN A 63 41.828 -2.287 9.772 1.00 25.00 C ATOM 954 C ASN A 63 42.749 -1.072 9.883 1.00 25.00 C ATOM 955 O ASN A 63 43.959 -1.228 10.002 1.00 25.00 O ATOM 956 CB ASN A 63 42.499 -3.368 8.911 1.00 25.00 C ATOM 957 CG ASN A 63 42.994 -2.848 7.580 1.00 25.00 C ATOM 958 OD1 ASN A 63 42.266 -2.214 6.825 1.00 25.00 O ATOM 959 ND2 ASN A 63 44.229 -3.124 7.266 1.00 25.00 N ATOM 0 H ASN A 63 40.533 -1.631 8.259 1.00 25.00 H new ATOM 0 HA ASN A 63 41.665 -2.658 10.784 1.00 25.00 H new ATOM 0 HB2 ASN A 63 43.338 -3.793 9.462 1.00 25.00 H new ATOM 0 HB3 ASN A 63 41.789 -4.177 8.737 1.00 25.00 H new ATOM 0 HD21 ASN A 63 44.611 -2.810 6.374 1.00 25.00 H new ATOM 0 HD22 ASN A 63 44.814 -3.653 7.913 1.00 25.00 H new ATOM 966 N SER A 64 42.191 0.128 9.791 1.00 25.00 N ATOM 967 CA SER A 64 42.988 1.358 9.737 1.00 25.00 C ATOM 968 C SER A 64 42.970 2.256 10.974 1.00 25.00 C ATOM 969 O SER A 64 43.680 3.265 11.004 1.00 25.00 O ATOM 970 CB SER A 64 42.558 2.161 8.514 1.00 25.00 C ATOM 971 OG SER A 64 42.699 1.341 7.366 1.00 25.00 O ATOM 0 H SER A 64 41.183 0.282 9.752 1.00 25.00 H new ATOM 0 HA SER A 64 44.022 1.018 9.683 1.00 25.00 H new ATOM 0 HB2 SER A 64 41.524 2.489 8.621 1.00 25.00 H new ATOM 0 HB3 SER A 64 43.169 3.058 8.416 1.00 25.00 H new ATOM 0 HG SER A 64 43.053 1.875 6.624 1.00 25.00 H new ATOM 977 N LEU A 65 42.210 1.897 12.001 1.00 25.00 N ATOM 978 CA LEU A 65 42.260 2.579 13.298 1.00 25.00 C ATOM 979 C LEU A 65 42.013 1.567 14.415 1.00 25.00 C ATOM 980 O LEU A 65 41.573 0.439 14.161 1.00 25.00 O ATOM 981 CB LEU A 65 41.271 3.759 13.358 1.00 25.00 C ATOM 982 CG LEU A 65 39.745 3.620 13.177 1.00 25.00 C ATOM 983 CD1 LEU A 65 39.009 2.847 14.280 1.00 50.00 C ATOM 984 CD2 LEU A 65 39.164 5.029 13.103 1.00 50.00 C ATOM 0 H LEU A 65 41.542 1.127 11.964 1.00 25.00 H new ATOM 0 HA LEU A 65 43.253 3.008 13.433 1.00 25.00 H new ATOM 0 HB2 LEU A 65 41.420 4.231 14.329 1.00 25.00 H new ATOM 0 HB3 LEU A 65 41.603 4.472 12.603 1.00 25.00 H new ATOM 0 HG LEU A 65 39.597 3.033 12.271 1.00 25.00 H new ATOM 0 HD11 LEU A 65 37.944 2.811 14.051 1.00 50.00 H new ATOM 0 HD12 LEU A 65 39.402 1.832 14.337 1.00 50.00 H new ATOM 0 HD13 LEU A 65 39.157 3.348 15.237 1.00 50.00 H new ATOM 0 HD21 LEU A 65 38.083 4.971 12.975 1.00 50.00 H new ATOM 0 HD22 LEU A 65 39.392 5.565 14.024 1.00 50.00 H new ATOM 0 HD23 LEU A 65 39.602 5.559 12.257 1.00 50.00 H new ATOM 996 N ARG A 66 42.303 1.971 15.644 1.00 25.00 N ATOM 997 CA ARG A 66 42.087 1.175 16.854 1.00 25.00 C ATOM 998 C ARG A 66 41.154 1.977 17.747 1.00 25.00 C ATOM 999 O ARG A 66 41.048 3.193 17.587 1.00 25.00 O ATOM 1000 CB ARG A 66 43.413 0.945 17.589 1.00 25.00 C ATOM 1001 CG ARG A 66 44.422 0.136 16.801 1.00 25.00 C ATOM 1002 CD ARG A 66 45.717 -0.095 17.568 1.00 25.00 C ATOM 1003 NE ARG A 66 46.655 -0.843 16.720 1.00 25.00 N ATOM 1004 CZ ARG A 66 47.890 -1.214 17.025 1.00 25.00 C ATOM 1005 NH1 ARG A 66 48.462 -1.027 18.184 1.00 25.00 N ATOM 1006 NH2 ARG A 66 48.591 -1.793 16.098 1.00 25.00 N ATOM 0 H ARG A 66 42.707 2.888 15.837 1.00 25.00 H new ATOM 0 HA ARG A 66 41.666 0.202 16.600 1.00 25.00 H new ATOM 0 HB2 ARG A 66 43.852 1.912 17.837 1.00 25.00 H new ATOM 0 HB3 ARG A 66 43.211 0.436 18.531 1.00 25.00 H new ATOM 0 HG2 ARG A 66 43.984 -0.827 16.538 1.00 25.00 H new ATOM 0 HG3 ARG A 66 44.645 0.651 15.867 1.00 25.00 H new ATOM 0 HD2 ARG A 66 46.155 0.859 17.861 1.00 25.00 H new ATOM 0 HD3 ARG A 66 45.516 -0.649 18.485 1.00 25.00 H new ATOM 0 HE ARG A 66 46.318 -1.106 15.794 1.00 25.00 H new ATOM 0 HH11 ARG A 66 47.951 -0.564 18.936 1.00 25.00 H new ATOM 0 HH12 ARG A 66 49.419 -1.344 18.337 1.00 25.00 H new ATOM 0 HH21 ARG A 66 48.187 -1.947 15.174 1.00 25.00 H new ATOM 0 HH22 ARG A 66 49.546 -2.093 16.293 1.00 25.00 H new ATOM 1020 N PHE A 67 40.527 1.319 18.708 1.00 25.00 N ATOM 1021 CA PHE A 67 39.764 2.009 19.744 1.00 25.00 C ATOM 1022 C PHE A 67 40.074 1.296 21.054 1.00 25.00 C ATOM 1023 O PHE A 67 39.879 0.083 21.165 1.00 25.00 O ATOM 1024 CB PHE A 67 38.263 2.019 19.453 1.00 25.00 C ATOM 1025 CG PHE A 67 37.504 2.954 20.351 1.00 25.00 C ATOM 1026 CD1 PHE A 67 37.034 2.528 21.607 1.00 25.00 C ATOM 1027 CD2 PHE A 67 37.314 4.291 19.968 1.00 25.00 C ATOM 1028 CE1 PHE A 67 36.396 3.438 22.485 1.00 25.00 C ATOM 1029 CE2 PHE A 67 36.686 5.213 20.839 1.00 25.00 C ATOM 1030 CZ PHE A 67 36.231 4.788 22.097 1.00 25.00 C ATOM 0 H PHE A 67 40.530 0.303 18.795 1.00 25.00 H new ATOM 0 HA PHE A 67 40.051 3.059 19.789 1.00 25.00 H new ATOM 0 HB2 PHE A 67 38.100 2.307 18.415 1.00 25.00 H new ATOM 0 HB3 PHE A 67 37.868 1.010 19.569 1.00 25.00 H new ATOM 0 HD1 PHE A 67 37.161 1.498 21.904 1.00 25.00 H new ATOM 0 HD2 PHE A 67 37.651 4.620 18.996 1.00 25.00 H new ATOM 0 HE1 PHE A 67 36.037 3.102 23.447 1.00 25.00 H new ATOM 0 HE2 PHE A 67 36.557 6.242 20.536 1.00 25.00 H new ATOM 0 HZ PHE A 67 35.756 5.490 22.767 1.00 25.00 H new ATOM 1040 N LEU A 68 40.673 2.019 21.987 1.00 25.00 N ATOM 1041 CA LEU A 68 41.361 1.420 23.129 1.00 25.00 C ATOM 1042 C LEU A 68 40.805 1.978 24.434 1.00 25.00 C ATOM 1043 O LEU A 68 40.108 2.992 24.446 1.00 25.00 O ATOM 1044 CB LEU A 68 42.864 1.732 23.046 1.00 25.00 C ATOM 1045 CG LEU A 68 43.652 1.347 21.784 1.00 25.00 C ATOM 1046 CD1 LEU A 68 45.073 1.893 21.900 1.00 50.00 C ATOM 1047 CD2 LEU A 68 43.708 -0.155 21.547 1.00 50.00 C ATOM 0 H LEU A 68 40.698 3.039 21.977 1.00 25.00 H new ATOM 0 HA LEU A 68 41.204 0.342 23.106 1.00 25.00 H new ATOM 0 HB2 LEU A 68 42.982 2.806 23.189 1.00 25.00 H new ATOM 0 HB3 LEU A 68 43.346 1.243 23.893 1.00 25.00 H new ATOM 0 HG LEU A 68 43.129 1.782 20.932 1.00 25.00 H new ATOM 0 HD11 LEU A 68 45.640 1.625 21.009 1.00 50.00 H new ATOM 0 HD12 LEU A 68 45.039 2.978 21.995 1.00 50.00 H new ATOM 0 HD13 LEU A 68 45.556 1.467 22.779 1.00 50.00 H new ATOM 0 HD21 LEU A 68 44.278 -0.359 20.641 1.00 50.00 H new ATOM 0 HD22 LEU A 68 44.190 -0.640 22.396 1.00 50.00 H new ATOM 0 HD23 LEU A 68 42.696 -0.543 21.434 1.00 50.00 H new ATOM 1059 N PHE A 69 41.161 1.336 25.533 1.00 25.00 N ATOM 1060 CA PHE A 69 40.814 1.793 26.877 1.00 25.00 C ATOM 1061 C PHE A 69 42.137 2.023 27.593 1.00 25.00 C ATOM 1062 O PHE A 69 42.840 1.057 27.861 1.00 25.00 O ATOM 1063 CB PHE A 69 39.999 0.695 27.567 1.00 25.00 C ATOM 1064 CG PHE A 69 39.698 0.965 29.015 1.00 25.00 C ATOM 1065 CD1 PHE A 69 40.611 0.577 30.016 1.00 25.00 C ATOM 1066 CD2 PHE A 69 38.490 1.573 29.396 1.00 25.00 C ATOM 1067 CE1 PHE A 69 40.336 0.805 31.377 1.00 25.00 C ATOM 1068 CE2 PHE A 69 38.204 1.809 30.762 1.00 25.00 C ATOM 1069 CZ PHE A 69 39.128 1.421 31.750 1.00 25.00 C ATOM 0 H PHE A 69 41.705 0.473 25.522 1.00 25.00 H new ATOM 0 HA PHE A 69 40.217 2.705 26.876 1.00 25.00 H new ATOM 0 HB2 PHE A 69 39.059 0.565 27.031 1.00 25.00 H new ATOM 0 HB3 PHE A 69 40.542 -0.247 27.490 1.00 25.00 H new ATOM 0 HD1 PHE A 69 41.536 0.097 29.734 1.00 25.00 H new ATOM 0 HD2 PHE A 69 37.774 1.862 28.641 1.00 25.00 H new ATOM 0 HE1 PHE A 69 41.049 0.508 32.132 1.00 25.00 H new ATOM 0 HE2 PHE A 69 37.278 2.286 31.046 1.00 25.00 H new ATOM 0 HZ PHE A 69 38.910 1.596 32.793 1.00 25.00 H new ATOM 1079 N GLU A 70 42.507 3.273 27.857 1.00 25.00 N ATOM 1080 CA GLU A 70 43.762 3.604 28.556 1.00 25.00 C ATOM 1081 C GLU A 70 45.001 2.976 27.885 1.00 25.00 C ATOM 1082 O GLU A 70 45.967 2.542 28.524 1.00 25.00 O ATOM 1083 CB GLU A 70 43.628 3.225 30.040 1.00 25.00 C ATOM 1084 CG GLU A 70 44.489 4.042 30.993 1.00 25.00 C ATOM 1085 CD GLU A 70 44.148 3.775 32.450 1.00 25.00 C ATOM 1086 OE1 GLU A 70 44.081 2.597 32.881 1.00 25.00 O ATOM 1087 OE2 GLU A 70 43.948 4.753 33.204 1.00 25.00 O ATOM 0 H GLU A 70 41.953 4.089 27.597 1.00 25.00 H new ATOM 0 HA GLU A 70 43.928 4.679 28.487 1.00 25.00 H new ATOM 0 HB2 GLU A 70 42.584 3.333 30.334 1.00 25.00 H new ATOM 0 HB3 GLU A 70 43.884 2.172 30.155 1.00 25.00 H new ATOM 0 HG2 GLU A 70 45.540 3.810 30.820 1.00 25.00 H new ATOM 0 HG3 GLU A 70 44.357 5.103 30.780 1.00 25.00 H new ATOM 1094 N GLY A 71 44.936 2.881 26.563 1.00 25.00 N ATOM 1095 CA GLY A 71 45.982 2.251 25.769 1.00 25.00 C ATOM 1096 C GLY A 71 45.955 0.736 25.670 1.00 25.00 C ATOM 1097 O GLY A 71 46.741 0.146 24.928 1.00 25.00 O ATOM 0 H GLY A 71 44.156 3.239 26.011 1.00 25.00 H new ATOM 0 HA2 GLY A 71 45.931 2.657 24.759 1.00 25.00 H new ATOM 0 HA3 GLY A 71 46.946 2.546 26.183 1.00 25.00 H new ATOM 1101 N GLN A 72 45.060 0.084 26.397 1.00 25.00 N ATOM 1102 CA GLN A 72 44.925 -1.368 26.338 1.00 25.00 C ATOM 1103 C GLN A 72 43.920 -1.732 25.252 1.00 25.00 C ATOM 1104 O GLN A 72 42.860 -1.103 25.136 1.00 25.00 O ATOM 1105 CB GLN A 72 44.413 -1.924 27.670 1.00 25.00 C ATOM 1106 CG GLN A 72 45.312 -1.629 28.865 1.00 25.00 C ATOM 1107 CD GLN A 72 44.869 -2.384 30.102 1.00 25.00 C ATOM 1108 OE1 GLN A 72 44.061 -1.906 30.899 1.00 25.00 O ATOM 1109 NE2 GLN A 72 45.365 -3.579 30.259 1.00 25.00 N ATOM 0 H GLN A 72 44.411 0.539 27.039 1.00 25.00 H new ATOM 0 HA GLN A 72 45.905 -1.795 26.123 1.00 25.00 H new ATOM 0 HB2 GLN A 72 43.423 -1.511 27.865 1.00 25.00 H new ATOM 0 HB3 GLN A 72 44.295 -3.004 27.577 1.00 25.00 H new ATOM 0 HG2 GLN A 72 46.340 -1.900 28.622 1.00 25.00 H new ATOM 0 HG3 GLN A 72 45.304 -0.559 29.070 1.00 25.00 H new ATOM 0 HE21 GLN A 72 46.033 -3.947 29.581 1.00 25.00 H new ATOM 0 HE22 GLN A 72 45.086 -4.146 31.060 1.00 25.00 H new ATOM 1118 N ARG A 73 44.227 -2.770 24.486 1.00 25.00 N ATOM 1119 CA ARG A 73 43.274 -3.327 23.527 1.00 25.00 C ATOM 1120 C ARG A 73 42.244 -4.085 24.346 1.00 25.00 C ATOM 1121 O ARG A 73 42.598 -4.774 25.307 1.00 25.00 O ATOM 1122 CB ARG A 73 43.997 -4.259 22.555 1.00 25.00 C ATOM 1123 CG ARG A 73 43.153 -4.765 21.397 1.00 25.00 C ATOM 1124 CD ARG A 73 43.996 -5.688 20.547 1.00 25.00 C ATOM 1125 NE ARG A 73 43.309 -6.155 19.335 1.00 25.00 N ATOM 1126 CZ ARG A 73 43.842 -6.929 18.399 1.00 25.00 C ATOM 1127 NH1 ARG A 73 45.056 -7.411 18.464 1.00 25.00 N ATOM 1128 NH2 ARG A 73 43.152 -7.234 17.340 1.00 25.00 N ATOM 0 H ARG A 73 45.129 -3.246 24.508 1.00 25.00 H new ATOM 0 HA ARG A 73 42.797 -2.550 22.930 1.00 25.00 H new ATOM 0 HB2 ARG A 73 44.863 -3.736 22.151 1.00 25.00 H new ATOM 0 HB3 ARG A 73 44.374 -5.117 23.111 1.00 25.00 H new ATOM 0 HG2 ARG A 73 42.276 -5.293 21.772 1.00 25.00 H new ATOM 0 HG3 ARG A 73 42.791 -3.928 20.800 1.00 25.00 H new ATOM 0 HD2 ARG A 73 44.912 -5.171 20.260 1.00 25.00 H new ATOM 0 HD3 ARG A 73 44.291 -6.551 21.144 1.00 25.00 H new ATOM 0 HE ARG A 73 42.342 -5.859 19.202 1.00 25.00 H new ATOM 0 HH11 ARG A 73 45.648 -7.196 19.267 1.00 25.00 H new ATOM 0 HH12 ARG A 73 45.411 -8.002 17.712 1.00 25.00 H new ATOM 0 HH21 ARG A 73 42.202 -6.878 17.230 1.00 25.00 H new ATOM 0 HH22 ARG A 73 43.560 -7.829 16.619 1.00 25.00 H new ATOM 1142 N ILE A 74 40.986 -3.946 23.971 1.00 25.00 N ATOM 1143 CA ILE A 74 39.862 -4.524 24.702 1.00 25.00 C ATOM 1144 C ILE A 74 39.058 -5.413 23.759 1.00 25.00 C ATOM 1145 O ILE A 74 39.153 -5.282 22.532 1.00 25.00 O ATOM 1146 CB ILE A 74 38.983 -3.411 25.341 1.00 25.00 C ATOM 1147 CG1 ILE A 74 38.755 -2.257 24.340 1.00 25.00 C ATOM 1148 CG2 ILE A 74 39.658 -2.905 26.635 1.00 25.00 C ATOM 1149 CD1 ILE A 74 37.656 -1.258 24.693 1.00 25.00 C ATOM 0 H ILE A 74 40.707 -3.423 23.141 1.00 25.00 H new ATOM 0 HA ILE A 74 40.236 -5.136 25.523 1.00 25.00 H new ATOM 0 HB ILE A 74 38.006 -3.822 25.594 1.00 25.00 H new ATOM 0 HG12 ILE A 74 39.691 -1.710 24.231 1.00 25.00 H new ATOM 0 HG13 ILE A 74 38.523 -2.690 23.367 1.00 25.00 H new ATOM 0 HG21 ILE A 74 39.044 -2.125 27.085 1.00 25.00 H new ATOM 0 HG22 ILE A 74 39.765 -3.732 27.337 1.00 25.00 H new ATOM 0 HG23 ILE A 74 40.642 -2.501 26.398 1.00 25.00 H new ATOM 0 HD11 ILE A 74 37.593 -0.497 23.915 1.00 25.00 H new ATOM 0 HD12 ILE A 74 36.702 -1.779 24.770 1.00 25.00 H new ATOM 0 HD13 ILE A 74 37.888 -0.784 25.647 1.00 25.00 H new ATOM 1161 N ALA A 75 38.334 -6.356 24.344 1.00 25.00 N ATOM 1162 CA ALA A 75 37.631 -7.389 23.592 1.00 25.00 C ATOM 1163 C ALA A 75 36.399 -6.841 22.867 1.00 25.00 C ATOM 1164 O ALA A 75 35.859 -5.801 23.229 1.00 25.00 O ATOM 1165 CB ALA A 75 37.232 -8.511 24.548 1.00 25.00 C ATOM 0 H ALA A 75 38.216 -6.428 25.355 1.00 25.00 H new ATOM 0 HA ALA A 75 38.303 -7.771 22.823 1.00 25.00 H new ATOM 0 HB1 ALA A 75 36.705 -9.289 23.996 1.00 25.00 H new ATOM 0 HB2 ALA A 75 38.126 -8.933 25.007 1.00 25.00 H new ATOM 0 HB3 ALA A 75 36.579 -8.112 25.325 1.00 25.00 H new ATOM 1171 N ASP A 76 35.914 -7.583 21.882 1.00 25.00 N ATOM 1172 CA ASP A 76 34.784 -7.165 21.047 1.00 25.00 C ATOM 1173 C ASP A 76 33.465 -6.966 21.807 1.00 25.00 C ATOM 1174 O ASP A 76 32.578 -6.223 21.375 1.00 25.00 O ATOM 1175 CB ASP A 76 34.572 -8.181 19.919 1.00 25.00 C ATOM 1176 CG ASP A 76 33.676 -9.343 20.328 1.00 25.00 C ATOM 1177 OD1 ASP A 76 34.037 -10.134 21.226 1.00 25.00 O ATOM 1178 OD2 ASP A 76 32.570 -9.465 19.762 1.00 25.00 O ATOM 0 H ASP A 76 36.291 -8.498 21.634 1.00 25.00 H new ATOM 0 HA ASP A 76 35.055 -6.185 20.653 1.00 25.00 H new ATOM 0 HB2 ASP A 76 34.133 -7.675 19.059 1.00 25.00 H new ATOM 0 HB3 ASP A 76 35.539 -8.569 19.600 1.00 25.00 H new ATOM 1183 N ASN A 77 33.341 -7.609 22.959 1.00 25.00 N ATOM 1184 CA ASN A 77 32.159 -7.493 23.814 1.00 25.00 C ATOM 1185 C ASN A 77 32.315 -6.454 24.926 1.00 25.00 C ATOM 1186 O ASN A 77 31.420 -6.311 25.749 1.00 25.00 O ATOM 1187 CB ASN A 77 31.826 -8.848 24.456 1.00 25.00 C ATOM 1188 CG ASN A 77 32.808 -9.246 25.536 1.00 25.00 C ATOM 1189 OD1 ASN A 77 34.018 -9.139 25.364 1.00 25.00 O ATOM 1190 ND2 ASN A 77 32.315 -9.714 26.644 1.00 25.00 N ATOM 0 H ASN A 77 34.059 -8.230 23.333 1.00 25.00 H new ATOM 0 HA ASN A 77 31.351 -7.164 23.160 1.00 25.00 H new ATOM 0 HB2 ASN A 77 30.823 -8.806 24.881 1.00 25.00 H new ATOM 0 HB3 ASN A 77 31.812 -9.617 23.683 1.00 25.00 H new ATOM 0 HD21 ASN A 77 32.939 -10.003 27.398 1.00 25.00 H new ATOM 0 HD22 ASN A 77 31.305 -9.792 26.760 1.00 25.00 H new ATOM 1197 N HIS A 78 33.431 -5.742 24.984 1.00 25.00 N ATOM 1198 CA HIS A 78 33.630 -4.733 26.028 1.00 25.00 C ATOM 1199 C HIS A 78 32.659 -3.574 25.806 1.00 25.00 C ATOM 1200 O HIS A 78 32.624 -3.004 24.716 1.00 25.00 O ATOM 1201 CB HIS A 78 35.067 -4.205 25.974 1.00 25.00 C ATOM 1202 CG HIS A 78 35.385 -3.170 27.011 1.00 25.00 C ATOM 1203 ND1 HIS A 78 35.004 -1.848 26.943 1.00 25.00 N ATOM 1204 CD2 HIS A 78 36.107 -3.266 28.158 1.00 25.00 C ATOM 1205 CE1 HIS A 78 35.481 -1.222 28.025 1.00 25.00 C ATOM 1206 NE2 HIS A 78 36.180 -2.041 28.785 1.00 25.00 N ATOM 0 H HIS A 78 34.208 -5.838 24.331 1.00 25.00 H new ATOM 0 HA HIS A 78 33.448 -5.186 27.003 1.00 25.00 H new ATOM 0 HB2 HIS A 78 35.754 -5.043 26.092 1.00 25.00 H new ATOM 0 HB3 HIS A 78 35.248 -3.780 24.987 1.00 25.00 H new ATOM 0 HD2 HIS A 78 36.560 -4.175 28.526 1.00 25.00 H new ATOM 0 HE1 HIS A 78 35.314 -0.178 28.247 1.00 25.00 H new ATOM 0 HE2 HIS A 78 36.670 -1.816 29.651 1.00 25.00 H new ATOM 1214 N THR A 79 31.915 -3.183 26.833 1.00 25.00 N ATOM 1215 CA THR A 79 31.100 -1.965 26.795 1.00 25.00 C ATOM 1216 C THR A 79 31.260 -1.221 28.131 1.00 25.00 C ATOM 1217 O THR A 79 31.058 -1.801 29.207 1.00 25.00 O ATOM 1218 CB THR A 79 29.592 -2.237 26.494 1.00 25.00 C ATOM 1219 OG1 THR A 79 28.767 -1.610 27.479 1.00 25.00 O ATOM 1220 CG2 THR A 79 29.237 -3.715 26.480 1.00 25.00 C ATOM 0 H THR A 79 31.856 -3.695 27.713 1.00 25.00 H new ATOM 0 HA THR A 79 31.460 -1.352 25.969 1.00 25.00 H new ATOM 0 HB THR A 79 29.415 -1.827 25.500 1.00 25.00 H new ATOM 0 HG1 THR A 79 27.825 -1.787 27.277 1.00 25.00 H new ATOM 0 HG21 THR A 79 28.175 -3.832 26.265 1.00 25.00 H new ATOM 0 HG22 THR A 79 29.821 -4.222 25.712 1.00 25.00 H new ATOM 0 HG23 THR A 79 29.461 -4.152 27.453 1.00 25.00 H new ATOM 1228 N PRO A 80 31.666 0.064 28.104 1.00 25.00 N ATOM 1229 CA PRO A 80 31.763 0.777 29.385 1.00 25.00 C ATOM 1230 C PRO A 80 30.465 0.912 30.172 1.00 25.00 C ATOM 1231 O PRO A 80 30.478 0.934 31.403 1.00 25.00 O ATOM 1232 CB PRO A 80 32.224 2.174 28.966 1.00 25.00 C ATOM 1233 CG PRO A 80 32.927 1.964 27.691 1.00 25.00 C ATOM 1234 CD PRO A 80 32.089 0.938 26.994 1.00 25.00 C ATOM 0 HA PRO A 80 32.421 0.226 30.057 1.00 25.00 H new ATOM 0 HB2 PRO A 80 31.379 2.851 28.846 1.00 25.00 H new ATOM 0 HB3 PRO A 80 32.882 2.615 29.714 1.00 25.00 H new ATOM 0 HG2 PRO A 80 32.995 2.886 27.114 1.00 25.00 H new ATOM 0 HG3 PRO A 80 33.946 1.610 27.848 1.00 25.00 H new ATOM 0 HD2 PRO A 80 31.237 1.388 26.484 1.00 25.00 H new ATOM 0 HD3 PRO A 80 32.658 0.392 26.242 1.00 25.00 H new ATOM 1242 N LYS A 81 29.323 1.013 29.503 1.00 25.00 N ATOM 1243 CA LYS A 81 28.060 1.141 30.232 1.00 25.00 C ATOM 1244 C LYS A 81 27.691 -0.150 30.959 1.00 25.00 C ATOM 1245 O LYS A 81 27.096 -0.090 32.031 1.00 25.00 O ATOM 1246 CB LYS A 81 26.933 1.646 29.322 1.00 25.00 C ATOM 1247 CG LYS A 81 26.512 0.704 28.216 1.00 25.00 C ATOM 1248 CD LYS A 81 25.451 1.314 27.326 1.00 25.00 C ATOM 1249 CE LYS A 81 25.006 0.288 26.294 1.00 25.00 C ATOM 1250 NZ LYS A 81 24.146 0.892 25.234 1.00 25.00 N ATOM 0 H LYS A 81 29.240 1.010 28.486 1.00 25.00 H new ATOM 0 HA LYS A 81 28.202 1.898 31.003 1.00 25.00 H new ATOM 0 HB2 LYS A 81 26.062 1.864 29.940 1.00 25.00 H new ATOM 0 HB3 LYS A 81 27.248 2.587 28.872 1.00 25.00 H new ATOM 0 HG2 LYS A 81 27.382 0.439 27.614 1.00 25.00 H new ATOM 0 HG3 LYS A 81 26.132 -0.220 28.652 1.00 25.00 H new ATOM 0 HD2 LYS A 81 24.599 1.636 27.925 1.00 25.00 H new ATOM 0 HD3 LYS A 81 25.844 2.200 26.828 1.00 25.00 H new ATOM 0 HE2 LYS A 81 25.883 -0.166 25.833 1.00 25.00 H new ATOM 0 HE3 LYS A 81 24.458 -0.512 26.792 1.00 25.00 H new ATOM 0 HZ1 LYS A 81 23.676 0.136 24.696 1.00 25.00 H new ATOM 0 HZ2 LYS A 81 23.428 1.501 25.675 1.00 25.00 H new ATOM 0 HZ3 LYS A 81 24.734 1.460 24.591 1.00 25.00 H new ATOM 1264 N GLU A 82 28.120 -1.299 30.451 1.00 25.00 N ATOM 1265 CA GLU A 82 27.912 -2.578 31.135 1.00 25.00 C ATOM 1266 C GLU A 82 28.711 -2.635 32.437 1.00 25.00 C ATOM 1267 O GLU A 82 28.272 -3.216 33.433 1.00 25.00 O ATOM 1268 CB GLU A 82 28.332 -3.736 30.216 1.00 25.00 C ATOM 1269 CG GLU A 82 28.157 -5.134 30.809 1.00 25.00 C ATOM 1270 CD GLU A 82 26.715 -5.427 31.177 1.00 25.00 C ATOM 1271 OE1 GLU A 82 25.865 -5.523 30.265 1.00 25.00 O ATOM 1272 OE2 GLU A 82 26.394 -5.552 32.385 1.00 25.00 O ATOM 0 H GLU A 82 28.617 -1.375 29.564 1.00 25.00 H new ATOM 0 HA GLU A 82 26.853 -2.671 31.376 1.00 25.00 H new ATOM 0 HB2 GLU A 82 27.754 -3.675 29.294 1.00 25.00 H new ATOM 0 HB3 GLU A 82 29.379 -3.602 29.945 1.00 25.00 H new ATOM 0 HG2 GLU A 82 28.505 -5.877 30.091 1.00 25.00 H new ATOM 0 HG3 GLU A 82 28.783 -5.231 31.696 1.00 25.00 H new ATOM 1279 N LEU A 83 29.875 -2.000 32.426 1.00 25.00 N ATOM 1280 CA LEU A 83 30.764 -1.939 33.588 1.00 25.00 C ATOM 1281 C LEU A 83 30.348 -0.850 34.576 1.00 25.00 C ATOM 1282 O LEU A 83 30.996 -0.630 35.603 1.00 25.00 O ATOM 1283 CB LEU A 83 32.194 -1.659 33.109 1.00 25.00 C ATOM 1284 CG LEU A 83 32.880 -2.731 32.253 1.00 25.00 C ATOM 1285 CD1 LEU A 83 34.190 -2.191 31.713 1.00 50.00 C ATOM 1286 CD2 LEU A 83 33.141 -4.002 33.058 1.00 50.00 C ATOM 0 H LEU A 83 30.235 -1.508 31.608 1.00 25.00 H new ATOM 0 HA LEU A 83 30.705 -2.897 34.104 1.00 25.00 H new ATOM 0 HB2 LEU A 83 32.181 -0.731 32.538 1.00 25.00 H new ATOM 0 HB3 LEU A 83 32.814 -1.484 33.988 1.00 25.00 H new ATOM 0 HG LEU A 83 32.215 -2.983 31.427 1.00 25.00 H new ATOM 0 HD11 LEU A 83 34.675 -2.955 31.105 1.00 50.00 H new ATOM 0 HD12 LEU A 83 33.996 -1.310 31.102 1.00 50.00 H new ATOM 0 HD13 LEU A 83 34.842 -1.920 32.544 1.00 50.00 H new ATOM 0 HD21 LEU A 83 33.628 -4.742 32.422 1.00 50.00 H new ATOM 0 HD22 LEU A 83 33.787 -3.770 33.905 1.00 50.00 H new ATOM 0 HD23 LEU A 83 32.195 -4.403 33.422 1.00 50.00 H new ATOM 1298 N GLY A 84 29.293 -0.124 34.233 1.00 25.00 N ATOM 1299 CA GLY A 84 28.826 0.978 35.056 1.00 25.00 C ATOM 1300 C GLY A 84 29.678 2.225 34.924 1.00 25.00 C ATOM 1301 O GLY A 84 29.475 3.201 35.645 1.00 25.00 O ATOM 0 H GLY A 84 28.744 -0.281 33.388 1.00 25.00 H new ATOM 0 HA2 GLY A 84 27.798 1.217 34.782 1.00 25.00 H new ATOM 0 HA3 GLY A 84 28.813 0.664 36.100 1.00 25.00 H new ATOM 1305 N MET A 85 30.646 2.207 34.017 1.00 25.00 N ATOM 1306 CA MET A 85 31.559 3.336 33.840 1.00 25.00 C ATOM 1307 C MET A 85 30.932 4.401 32.950 1.00 25.00 C ATOM 1308 O MET A 85 31.340 5.550 32.993 1.00 25.00 O ATOM 1309 CB MET A 85 32.893 2.878 33.243 1.00 25.00 C ATOM 1310 CG MET A 85 33.611 1.817 34.073 1.00 25.00 C ATOM 1311 SD MET A 85 33.851 2.259 35.817 1.00 25.00 S ATOM 1312 CE MET A 85 35.079 3.570 35.750 1.00 25.00 C ATOM 0 H MET A 85 30.822 1.422 33.390 1.00 25.00 H new ATOM 0 HA MET A 85 31.749 3.765 34.824 1.00 25.00 H new ATOM 0 HB2 MET A 85 32.716 2.484 32.242 1.00 25.00 H new ATOM 0 HB3 MET A 85 33.547 3.743 33.133 1.00 25.00 H new ATOM 0 HG2 MET A 85 33.043 0.888 34.022 1.00 25.00 H new ATOM 0 HG3 MET A 85 34.585 1.620 33.624 1.00 25.00 H new ATOM 0 HE1 MET A 85 35.300 3.914 36.761 1.00 25.00 H new ATOM 0 HE2 MET A 85 35.991 3.191 35.288 1.00 25.00 H new ATOM 0 HE3 MET A 85 34.692 4.401 35.160 1.00 25.00 H new ATOM 1322 N GLU A 86 29.923 3.989 32.192 1.00 25.00 N ATOM 1323 CA GLU A 86 28.997 4.844 31.426 1.00 25.00 C ATOM 1324 C GLU A 86 29.514 6.100 30.701 1.00 25.00 C ATOM 1325 O GLU A 86 29.696 6.062 29.487 1.00 25.00 O ATOM 1326 CB GLU A 86 27.804 5.217 32.321 1.00 25.00 C ATOM 1327 CG GLU A 86 27.007 4.007 32.815 1.00 25.00 C ATOM 1328 CD GLU A 86 25.761 4.372 33.620 1.00 25.00 C ATOM 1329 OE1 GLU A 86 25.394 5.566 33.740 1.00 25.00 O ATOM 1330 OE2 GLU A 86 25.126 3.437 34.164 1.00 25.00 O ATOM 0 H GLU A 86 29.709 2.998 32.083 1.00 25.00 H new ATOM 0 HA GLU A 86 28.746 4.203 30.581 1.00 25.00 H new ATOM 0 HB2 GLU A 86 28.168 5.778 33.182 1.00 25.00 H new ATOM 0 HB3 GLU A 86 27.138 5.879 31.767 1.00 25.00 H new ATOM 0 HG2 GLU A 86 26.709 3.406 31.956 1.00 25.00 H new ATOM 0 HG3 GLU A 86 27.656 3.384 33.431 1.00 25.00 H new ATOM 1337 N GLU A 87 29.716 7.210 31.402 1.00 25.00 N ATOM 1338 CA GLU A 87 30.172 8.467 30.798 1.00 25.00 C ATOM 1339 C GLU A 87 31.683 8.514 30.543 1.00 25.00 C ATOM 1340 O GLU A 87 32.179 9.393 29.832 1.00 25.00 O ATOM 1341 CB GLU A 87 29.751 9.656 31.673 1.00 25.00 C ATOM 1342 CG GLU A 87 30.542 9.901 32.965 1.00 25.00 C ATOM 1343 CD GLU A 87 30.404 8.816 34.025 1.00 25.00 C ATOM 1344 OE1 GLU A 87 29.334 8.173 34.161 1.00 25.00 O ATOM 1345 OE2 GLU A 87 31.380 8.621 34.783 1.00 25.00 O ATOM 0 H GLU A 87 29.569 7.269 32.410 1.00 25.00 H new ATOM 0 HA GLU A 87 29.692 8.529 29.821 1.00 25.00 H new ATOM 0 HB2 GLU A 87 29.812 10.559 31.065 1.00 25.00 H new ATOM 0 HB3 GLU A 87 28.703 9.522 31.941 1.00 25.00 H new ATOM 0 HG2 GLU A 87 31.597 10.007 32.712 1.00 25.00 H new ATOM 0 HG3 GLU A 87 30.220 10.850 33.395 1.00 25.00 H new ATOM 1352 N GLU A 88 32.382 7.536 31.107 1.00 25.00 N ATOM 1353 CA GLU A 88 33.817 7.295 30.912 1.00 25.00 C ATOM 1354 C GLU A 88 34.836 8.398 31.223 1.00 25.00 C ATOM 1355 O GLU A 88 34.504 9.541 31.549 1.00 25.00 O ATOM 1356 CB GLU A 88 34.061 6.743 29.499 1.00 25.00 C ATOM 1357 CG GLU A 88 34.227 5.234 29.480 1.00 25.00 C ATOM 1358 CD GLU A 88 35.434 4.745 30.272 1.00 25.00 C ATOM 1359 OE1 GLU A 88 36.510 5.397 30.267 1.00 25.00 O ATOM 1360 OE2 GLU A 88 35.301 3.715 30.961 1.00 25.00 O ATOM 0 H GLU A 88 31.953 6.860 31.738 1.00 25.00 H new ATOM 0 HA GLU A 88 34.027 6.581 31.708 1.00 25.00 H new ATOM 0 HB2 GLU A 88 33.226 7.021 28.856 1.00 25.00 H new ATOM 0 HB3 GLU A 88 34.954 7.208 29.081 1.00 25.00 H new ATOM 0 HG2 GLU A 88 33.326 4.772 29.884 1.00 25.00 H new ATOM 0 HG3 GLU A 88 34.321 4.900 28.447 1.00 25.00 H new ATOM 1367 N ASP A 89 36.104 8.011 31.178 1.00 25.00 N ATOM 1368 CA ASP A 89 37.226 8.898 31.473 1.00 25.00 C ATOM 1369 C ASP A 89 38.513 8.615 30.685 1.00 25.00 C ATOM 1370 O ASP A 89 39.355 9.507 30.564 1.00 25.00 O ATOM 1371 CB ASP A 89 37.541 8.799 32.967 1.00 25.00 C ATOM 1372 CG ASP A 89 38.358 9.969 33.476 1.00 25.00 C ATOM 1373 OD1 ASP A 89 37.936 11.135 33.288 1.00 25.00 O ATOM 1374 OD2 ASP A 89 39.401 9.747 34.130 1.00 25.00 O ATOM 0 H ASP A 89 36.388 7.062 30.933 1.00 25.00 H new ATOM 0 HA ASP A 89 36.905 9.894 31.169 1.00 25.00 H new ATOM 0 HB2 ASP A 89 36.608 8.743 33.527 1.00 25.00 H new ATOM 0 HB3 ASP A 89 38.083 7.873 33.158 1.00 25.00 H new ATOM 1379 N VAL A 90 38.701 7.397 30.179 1.00 25.00 N ATOM 1380 CA VAL A 90 39.983 7.000 29.560 1.00 25.00 C ATOM 1381 C VAL A 90 39.914 6.328 28.181 1.00 25.00 C ATOM 1382 O VAL A 90 40.951 5.940 27.631 1.00 25.00 O ATOM 1383 CB VAL A 90 40.782 6.046 30.510 1.00 25.00 C ATOM 1384 CG1 VAL A 90 41.072 6.710 31.866 1.00 50.00 C ATOM 1385 CG2 VAL A 90 40.036 4.733 30.740 1.00 50.00 C ATOM 0 H VAL A 90 37.991 6.665 30.181 1.00 25.00 H new ATOM 0 HA VAL A 90 40.478 7.958 29.403 1.00 25.00 H new ATOM 0 HB VAL A 90 41.728 5.834 30.013 1.00 25.00 H new ATOM 0 HG11 VAL A 90 41.628 6.018 32.499 1.00 50.00 H new ATOM 0 HG12 VAL A 90 41.662 7.613 31.710 1.00 50.00 H new ATOM 0 HG13 VAL A 90 40.132 6.970 32.352 1.00 50.00 H new ATOM 0 HG21 VAL A 90 40.619 4.095 31.404 1.00 50.00 H new ATOM 0 HG22 VAL A 90 39.067 4.940 31.194 1.00 50.00 H new ATOM 0 HG23 VAL A 90 39.889 4.226 29.786 1.00 50.00 H new ATOM 1395 N ILE A 91 38.727 6.155 27.613 1.00 25.00 N ATOM 1396 CA ILE A 91 38.619 5.557 26.276 1.00 25.00 C ATOM 1397 C ILE A 91 39.148 6.497 25.189 1.00 25.00 C ATOM 1398 O ILE A 91 39.056 7.727 25.290 1.00 25.00 O ATOM 1399 CB ILE A 91 37.174 5.081 25.945 1.00 25.00 C ATOM 1400 CG1 ILE A 91 36.164 6.242 26.055 1.00 25.00 C ATOM 1401 CG2 ILE A 91 36.814 3.884 26.853 1.00 25.00 C ATOM 1402 CD1 ILE A 91 34.725 5.939 25.598 1.00 25.00 C ATOM 0 H ILE A 91 37.838 6.412 28.042 1.00 25.00 H new ATOM 0 HA ILE A 91 39.251 4.669 26.291 1.00 25.00 H new ATOM 0 HB ILE A 91 37.126 4.744 24.909 1.00 25.00 H new ATOM 0 HG12 ILE A 91 36.131 6.570 27.094 1.00 25.00 H new ATOM 0 HG13 ILE A 91 36.540 7.080 25.468 1.00 25.00 H new ATOM 0 HG21 ILE A 91 35.803 3.546 26.626 1.00 25.00 H new ATOM 0 HG22 ILE A 91 37.517 3.070 26.677 1.00 25.00 H new ATOM 0 HG23 ILE A 91 36.868 4.191 27.898 1.00 25.00 H new ATOM 0 HD11 ILE A 91 34.109 6.829 25.722 1.00 25.00 H new ATOM 0 HD12 ILE A 91 34.731 5.645 24.548 1.00 25.00 H new ATOM 0 HD13 ILE A 91 34.315 5.128 26.200 1.00 25.00 H new ATOM 1414 N GLU A 92 39.750 5.913 24.164 1.00 25.00 N ATOM 1415 CA GLU A 92 40.433 6.681 23.128 1.00 25.00 C ATOM 1416 C GLU A 92 40.311 6.059 21.735 1.00 25.00 C ATOM 1417 O GLU A 92 40.250 4.838 21.582 1.00 25.00 O ATOM 1418 CB GLU A 92 41.916 6.828 23.514 1.00 25.00 C ATOM 1419 CG GLU A 92 42.707 5.522 23.502 1.00 25.00 C ATOM 1420 CD GLU A 92 44.044 5.620 24.208 1.00 25.00 C ATOM 1421 OE1 GLU A 92 44.074 5.545 25.458 1.00 25.00 O ATOM 1422 OE2 GLU A 92 45.098 5.744 23.545 1.00 25.00 O ATOM 0 H GLU A 92 39.781 4.903 24.025 1.00 25.00 H new ATOM 0 HA GLU A 92 39.949 7.656 23.069 1.00 25.00 H new ATOM 0 HB2 GLU A 92 42.389 7.530 22.828 1.00 25.00 H new ATOM 0 HB3 GLU A 92 41.977 7.266 24.510 1.00 25.00 H new ATOM 0 HG2 GLU A 92 42.111 4.741 23.975 1.00 25.00 H new ATOM 0 HG3 GLU A 92 42.872 5.216 22.469 1.00 25.00 H new ATOM 1429 N VAL A 93 40.322 6.906 20.716 1.00 25.00 N ATOM 1430 CA VAL A 93 40.456 6.465 19.327 1.00 25.00 C ATOM 1431 C VAL A 93 41.973 6.491 19.159 1.00 25.00 C ATOM 1432 O VAL A 93 42.612 7.399 19.697 1.00 25.00 O ATOM 1433 CB VAL A 93 39.803 7.453 18.313 1.00 25.00 C ATOM 1434 CG1 VAL A 93 39.814 6.875 16.884 1.00 50.00 C ATOM 1435 CG2 VAL A 93 38.359 7.790 18.699 1.00 50.00 C ATOM 0 H VAL A 93 40.239 7.917 20.824 1.00 25.00 H new ATOM 0 HA VAL A 93 39.970 5.508 19.137 1.00 25.00 H new ATOM 0 HB VAL A 93 40.400 8.365 18.342 1.00 25.00 H new ATOM 0 HG11 VAL A 93 39.352 7.587 16.200 1.00 50.00 H new ATOM 0 HG12 VAL A 93 40.843 6.689 16.574 1.00 50.00 H new ATOM 0 HG13 VAL A 93 39.255 5.939 16.866 1.00 50.00 H new ATOM 0 HG21 VAL A 93 37.939 8.481 17.968 1.00 50.00 H new ATOM 0 HG22 VAL A 93 37.765 6.876 18.718 1.00 50.00 H new ATOM 0 HG23 VAL A 93 38.345 8.253 19.686 1.00 50.00 H new ATOM 1445 N TYR A 94 42.573 5.540 18.458 1.00 25.00 N ATOM 1446 CA TYR A 94 44.028 5.516 18.322 1.00 25.00 C ATOM 1447 C TYR A 94 44.462 5.098 16.914 1.00 25.00 C ATOM 1448 O TYR A 94 43.801 4.281 16.276 1.00 25.00 O ATOM 1449 CB TYR A 94 44.594 4.584 19.396 1.00 25.00 C ATOM 1450 CG TYR A 94 46.070 4.778 19.643 1.00 25.00 C ATOM 1451 CD1 TYR A 94 46.523 5.803 20.496 1.00 25.00 C ATOM 1452 CD2 TYR A 94 47.024 3.950 19.023 1.00 25.00 C ATOM 1453 CE1 TYR A 94 47.910 6.024 20.693 1.00 25.00 C ATOM 1454 CE2 TYR A 94 48.413 4.169 19.220 1.00 25.00 C ATOM 1455 CZ TYR A 94 48.841 5.215 20.040 1.00 25.00 C ATOM 1456 OH TYR A 94 50.180 5.458 20.217 1.00 25.00 O ATOM 0 H TYR A 94 42.086 4.783 17.979 1.00 25.00 H new ATOM 0 HA TYR A 94 44.425 6.521 18.467 1.00 25.00 H new ATOM 0 HB2 TYR A 94 44.053 4.746 20.328 1.00 25.00 H new ATOM 0 HB3 TYR A 94 44.416 3.550 19.100 1.00 25.00 H new ATOM 0 HD1 TYR A 94 45.805 6.428 21.006 1.00 25.00 H new ATOM 0 HD2 TYR A 94 46.696 3.139 18.390 1.00 25.00 H new ATOM 0 HE1 TYR A 94 48.245 6.816 21.346 1.00 25.00 H new ATOM 0 HE2 TYR A 94 49.136 3.529 18.737 1.00 25.00 H new ATOM 0 HH TYR A 94 50.701 4.810 19.698 1.00 25.00 H new ATOM 1466 N GLN A 95 45.534 5.687 16.403 1.00 25.00 N ATOM 1467 CA GLN A 95 46.007 5.392 15.048 1.00 25.00 C ATOM 1468 C GLN A 95 46.698 4.026 14.963 1.00 25.00 C ATOM 1469 O GLN A 95 47.273 3.529 15.929 1.00 25.00 O ATOM 1470 CB GLN A 95 46.986 6.479 14.592 1.00 25.00 C ATOM 1471 CG GLN A 95 46.355 7.859 14.438 1.00 25.00 C ATOM 1472 CD GLN A 95 47.360 8.924 14.062 1.00 25.00 C ATOM 1473 OE1 GLN A 95 48.300 9.194 14.802 1.00 25.00 O ATOM 1474 NE2 GLN A 95 47.172 9.547 12.932 1.00 25.00 N ATOM 0 H GLN A 95 46.097 6.374 16.904 1.00 25.00 H new ATOM 0 HA GLN A 95 45.133 5.369 14.397 1.00 25.00 H new ATOM 0 HB2 GLN A 95 47.803 6.543 15.311 1.00 25.00 H new ATOM 0 HB3 GLN A 95 47.423 6.183 13.639 1.00 25.00 H new ATOM 0 HG2 GLN A 95 45.577 7.815 13.676 1.00 25.00 H new ATOM 0 HG3 GLN A 95 45.870 8.138 15.373 1.00 25.00 H new ATOM 0 HE21 GLN A 95 46.380 9.299 12.339 1.00 25.00 H new ATOM 0 HE22 GLN A 95 47.817 10.282 12.642 1.00 25.00 H new ATOM 1483 N GLU A 96 46.659 3.411 13.792 1.00 25.00 N ATOM 1484 CA GLU A 96 47.296 2.110 13.589 1.00 25.00 C ATOM 1485 C GLU A 96 48.807 2.205 13.398 1.00 25.00 C ATOM 1486 O GLU A 96 49.319 3.235 12.957 1.00 25.00 O ATOM 1487 CB GLU A 96 46.692 1.410 12.369 1.00 25.00 C ATOM 1488 CG GLU A 96 45.571 0.449 12.728 1.00 25.00 C ATOM 1489 CD GLU A 96 46.048 -0.759 13.528 1.00 25.00 C ATOM 1490 OE1 GLU A 96 47.272 -0.975 13.682 1.00 25.00 O ATOM 1491 OE2 GLU A 96 45.199 -1.488 14.078 1.00 25.00 O ATOM 0 H GLU A 96 46.195 3.787 12.965 1.00 25.00 H new ATOM 0 HA GLU A 96 47.110 1.537 14.497 1.00 25.00 H new ATOM 0 HB2 GLU A 96 46.311 2.162 11.678 1.00 25.00 H new ATOM 0 HB3 GLU A 96 47.477 0.864 11.845 1.00 25.00 H new ATOM 0 HG2 GLU A 96 44.815 0.982 13.304 1.00 25.00 H new ATOM 0 HG3 GLU A 96 45.090 0.104 11.813 1.00 25.00 H new ATOM 1498 N GLN A 97 49.517 1.131 13.718 1.00 25.00 N ATOM 1499 CA GLN A 97 50.980 1.107 13.619 1.00 25.00 C ATOM 1500 C GLN A 97 51.495 0.708 12.235 1.00 25.00 C ATOM 1501 O GLN A 97 52.637 1.028 11.885 1.00 25.00 O ATOM 1502 CB GLN A 97 51.557 0.111 14.628 1.00 25.00 C ATOM 1503 CG GLN A 97 51.387 0.499 16.085 1.00 25.00 C ATOM 1504 CD GLN A 97 51.897 -0.587 17.006 1.00 25.00 C ATOM 1505 OE1 GLN A 97 51.336 -1.677 17.072 1.00 25.00 O ATOM 1506 NE2 GLN A 97 52.957 -0.315 17.709 1.00 25.00 N ATOM 0 H GLN A 97 49.106 0.259 14.050 1.00 25.00 H new ATOM 0 HA GLN A 97 51.304 2.128 13.822 1.00 25.00 H new ATOM 0 HB2 GLN A 97 51.085 -0.858 14.469 1.00 25.00 H new ATOM 0 HB3 GLN A 97 52.620 -0.015 14.423 1.00 25.00 H new ATOM 0 HG2 GLN A 97 51.924 1.427 16.281 1.00 25.00 H new ATOM 0 HG3 GLN A 97 50.334 0.690 16.292 1.00 25.00 H new ATOM 0 HE21 GLN A 97 53.400 0.601 17.631 1.00 25.00 H new ATOM 0 HE22 GLN A 97 53.346 -1.017 18.338 1.00 25.00 H new ATOM 1515 N THR A 98 50.672 0.004 11.465 1.00 25.00 N ATOM 1516 CA THR A 98 51.014 -0.503 10.124 1.00 25.00 C ATOM 1517 C THR A 98 52.360 -1.238 10.050 1.00 25.00 C ATOM 1518 O THR A 98 53.152 -1.051 9.123 1.00 25.00 O ATOM 1519 CB THR A 98 50.909 0.607 9.039 1.00 25.00 C ATOM 1520 OG1 THR A 98 51.783 1.697 9.349 1.00 25.00 O ATOM 1521 CG2 THR A 98 49.504 1.186 8.980 1.00 25.00 C ATOM 0 H THR A 98 49.725 -0.240 11.755 1.00 25.00 H new ATOM 0 HA THR A 98 50.259 -1.260 9.909 1.00 25.00 H new ATOM 0 HB THR A 98 51.175 0.142 8.090 1.00 25.00 H new ATOM 0 HG1 THR A 98 52.277 1.496 10.171 1.00 25.00 H new ATOM 0 HG21 THR A 98 49.461 1.959 8.213 1.00 25.00 H new ATOM 0 HG22 THR A 98 48.794 0.395 8.738 1.00 25.00 H new ATOM 0 HG23 THR A 98 49.248 1.620 9.947 1.00 25.00 H new ATOM 1529 N GLY A 99 52.634 -2.065 11.049 1.00 25.00 N ATOM 1530 CA GLY A 99 53.880 -2.815 11.092 1.00 25.00 C ATOM 1531 C GLY A 99 53.803 -4.101 10.291 1.00 25.00 C ATOM 1532 O GLY A 99 52.727 -4.479 9.811 1.00 25.00 O ATOM 0 H GLY A 99 52.011 -2.233 11.839 1.00 25.00 H new ATOM 0 HA2 GLY A 99 54.689 -2.195 10.704 1.00 25.00 H new ATOM 0 HA3 GLY A 99 54.126 -3.048 12.128 1.00 25.00 H new ATOM 1536 N GLY A 100 54.927 -4.793 10.155 1.00 25.00 N ATOM 1537 CA GLY A 100 54.954 -6.057 9.432 1.00 25.00 C ATOM 1538 C GLY A 100 54.361 -7.171 10.260 1.00 25.00 C ATOM 1539 O GLY A 100 53.648 -8.030 9.707 1.00 25.00 O ATOM 0 H GLY A 100 55.828 -4.502 10.534 1.00 25.00 H new ATOM 0 HA2 GLY A 100 54.398 -5.958 8.500 1.00 25.00 H new ATOM 0 HA3 GLY A 100 55.981 -6.305 9.166 1.00 25.00 H new TER 1543 GLY A 100