USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 680 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 69 SER OG : rot 180:sc= 0.0785 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= -0.102 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= -0.0147 USER MOD Set 2.2: A 39 LYS NZ :NH3+ -162:sc=-0.00621 (180deg=-0.122) USER MOD Set 3.1: A 13 THR OG1 : rot -170:sc= 0.102 USER MOD Set 3.2: A 16 GLN : amide:sc= -0.501 X(o=-0.4,f=-0.41) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.067 (180deg=-0.292) USER MOD Single : A 11 GLN : amide:sc= 0.525 K(o=0.52,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= 0.411 (180deg=0.296) USER MOD Single : A 18 ASN : amide:sc= 0.799 K(o=0.8,f=-0.015) USER MOD Single : A 21 LYS NZ :NH3+ 146:sc= 0.674 (180deg=-0.322) USER MOD Single : A 35 CYS SG : rot 30:sc= -1.4 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.474 (180deg=-0.79) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.422 K(o=0.42,f=-4.4!) USER MOD Single : A 51 ASN : amide:sc= -1.63 K(o=-1.6,f=-7.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0321 USER MOD Single : A 58 GLN : amide:sc= -0.703 K(o=-0.7,f=-5.4!) USER MOD Single : A 60 MET CE :methyl 167:sc= -0.481 (180deg=-1.12) USER MOD Single : A 80 MET CE :methyl -134:sc= -2.6 (180deg=-6.17!) USER MOD Single : A 81 MET CE :methyl -109:sc= -0.0314 (180deg=-0.709) USER MOD Single : A 84 CYS SG : rot 85:sc= 0.208 USER MOD Single : A 85 MET CE :methyl -108:sc= -0.793 (180deg=-3.31!) USER MOD Single : B 149 SER OG : rot 128:sc= 0.258 USER MOD Single : B 153 MET CE :methyl 147:sc= 0 (180deg=-0.0802) USER MOD Single : B 154 MET CE :methyl 144:sc= -0.0982 (180deg=-1.18) USER MOD Single : B 155 GLN : amide:sc=-0.00465 X(o=-0.0046,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 71.361 10.074 9.942 1.00 0.00 N ATOM 45 CA ILE A 4 70.073 10.789 10.242 1.00 0.00 C ATOM 46 C ILE A 4 68.879 9.835 10.061 1.00 0.00 C ATOM 47 O ILE A 4 68.077 9.663 10.960 1.00 0.00 O ATOM 48 CB ILE A 4 70.007 11.946 9.235 1.00 0.00 C ATOM 49 CG1 ILE A 4 71.092 12.977 9.568 1.00 0.00 C ATOM 50 CG2 ILE A 4 68.633 12.620 9.306 1.00 0.00 C ATOM 51 CD1 ILE A 4 71.629 13.591 8.274 1.00 0.00 C ATOM 0 HA ILE A 4 70.033 11.150 11.270 1.00 0.00 H new ATOM 0 HB ILE A 4 70.167 11.554 8.231 1.00 0.00 H new ATOM 0 HG12 ILE A 4 70.682 13.757 10.210 1.00 0.00 H new ATOM 0 HG13 ILE A 4 71.902 12.502 10.121 1.00 0.00 H new ATOM 0 HG21 ILE A 4 68.593 13.440 8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 4 67.858 11.892 9.068 1.00 0.00 H new ATOM 0 HG23 ILE A 4 68.470 13.008 10.311 1.00 0.00 H new ATOM 0 HD11 ILE A 4 72.400 14.324 8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 4 72.054 12.806 7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 4 70.816 14.081 7.739 1.00 0.00 H new ATOM 63 N TYR A 5 68.765 9.204 8.916 1.00 0.00 N ATOM 64 CA TYR A 5 67.629 8.249 8.698 1.00 0.00 C ATOM 65 C TYR A 5 67.870 6.957 9.493 1.00 0.00 C ATOM 66 O TYR A 5 66.942 6.346 9.988 1.00 0.00 O ATOM 67 CB TYR A 5 67.611 7.949 7.195 1.00 0.00 C ATOM 68 CG TYR A 5 66.743 8.957 6.476 1.00 0.00 C ATOM 69 CD1 TYR A 5 65.416 9.157 6.877 1.00 0.00 C ATOM 70 CD2 TYR A 5 67.265 9.684 5.400 1.00 0.00 C ATOM 71 CE1 TYR A 5 64.614 10.086 6.205 1.00 0.00 C ATOM 72 CE2 TYR A 5 66.463 10.614 4.729 1.00 0.00 C ATOM 73 CZ TYR A 5 65.137 10.813 5.130 1.00 0.00 C ATOM 74 OH TYR A 5 64.347 11.727 4.464 1.00 0.00 O ATOM 0 H TYR A 5 69.404 9.307 8.128 1.00 0.00 H new ATOM 0 HA TYR A 5 66.680 8.670 9.032 1.00 0.00 H new ATOM 0 HB2 TYR A 5 68.625 7.981 6.797 1.00 0.00 H new ATOM 0 HB3 TYR A 5 67.232 6.942 7.022 1.00 0.00 H new ATOM 0 HD1 TYR A 5 65.012 8.594 7.705 1.00 0.00 H new ATOM 0 HD2 TYR A 5 68.287 9.527 5.088 1.00 0.00 H new ATOM 0 HE1 TYR A 5 63.592 10.242 6.516 1.00 0.00 H new ATOM 0 HE2 TYR A 5 66.867 11.178 3.902 1.00 0.00 H new ATOM 0 HH TYR A 5 64.865 12.145 3.745 1.00 0.00 H new ATOM 84 N LYS A 6 69.112 6.543 9.624 1.00 0.00 N ATOM 85 CA LYS A 6 69.417 5.296 10.395 1.00 0.00 C ATOM 86 C LYS A 6 68.932 5.437 11.846 1.00 0.00 C ATOM 87 O LYS A 6 68.515 4.476 12.462 1.00 0.00 O ATOM 88 CB LYS A 6 70.940 5.147 10.338 1.00 0.00 C ATOM 89 CG LYS A 6 71.310 3.660 10.374 1.00 0.00 C ATOM 90 CD LYS A 6 71.769 3.281 11.784 1.00 0.00 C ATOM 91 CE LYS A 6 73.144 3.897 12.057 1.00 0.00 C ATOM 92 NZ LYS A 6 72.976 4.684 13.313 1.00 0.00 N ATOM 0 H LYS A 6 69.925 7.016 9.230 1.00 0.00 H new ATOM 0 HA LYS A 6 68.915 4.422 9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.327 5.607 9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 6 71.399 5.667 11.179 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.452 3.054 10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 6 72.103 3.454 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 6 71.047 3.635 12.520 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.819 2.197 11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 6 73.905 3.126 12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 6 73.461 4.535 11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 73.791 5.319 13.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 72.104 5.247 13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.916 4.035 14.124 1.00 0.00 H new ATOM 106 N ALA A 7 68.964 6.633 12.388 1.00 0.00 N ATOM 107 CA ALA A 7 68.481 6.840 13.790 1.00 0.00 C ATOM 108 C ALA A 7 67.033 6.337 13.919 1.00 0.00 C ATOM 109 O ALA A 7 66.637 5.813 14.943 1.00 0.00 O ATOM 110 CB ALA A 7 68.550 8.354 14.015 1.00 0.00 C ATOM 0 H ALA A 7 69.304 7.473 11.920 1.00 0.00 H new ATOM 0 HA ALA A 7 69.077 6.297 14.523 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.211 8.588 15.024 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.578 8.694 13.890 1.00 0.00 H new ATOM 0 HB3 ALA A 7 67.910 8.859 13.291 1.00 0.00 H new ATOM 116 N ALA A 8 66.249 6.483 12.874 1.00 0.00 N ATOM 117 CA ALA A 8 64.830 6.008 12.911 1.00 0.00 C ATOM 118 C ALA A 8 64.780 4.472 12.880 1.00 0.00 C ATOM 119 O ALA A 8 64.061 3.856 13.644 1.00 0.00 O ATOM 120 CB ALA A 8 64.176 6.597 11.656 1.00 0.00 C ATOM 0 H ALA A 8 66.535 6.913 11.994 1.00 0.00 H new ATOM 0 HA ALA A 8 64.316 6.321 13.820 1.00 0.00 H new ATOM 0 HB1 ALA A 8 63.131 6.292 11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.235 7.685 11.691 1.00 0.00 H new ATOM 0 HB3 ALA A 8 64.697 6.234 10.770 1.00 0.00 H new ATOM 126 N VAL A 9 65.547 3.846 12.013 1.00 0.00 N ATOM 127 CA VAL A 9 65.546 2.347 11.951 1.00 0.00 C ATOM 128 C VAL A 9 66.070 1.765 13.276 1.00 0.00 C ATOM 129 O VAL A 9 65.693 0.682 13.681 1.00 0.00 O ATOM 130 CB VAL A 9 66.457 1.984 10.759 1.00 0.00 C ATOM 131 CG1 VAL A 9 67.892 1.701 11.226 1.00 0.00 C ATOM 132 CG2 VAL A 9 65.904 0.738 10.062 1.00 0.00 C ATOM 0 H VAL A 9 66.170 4.307 11.350 1.00 0.00 H new ATOM 0 HA VAL A 9 64.547 1.933 11.812 1.00 0.00 H new ATOM 0 HB VAL A 9 66.476 2.829 10.071 1.00 0.00 H new ATOM 0 HG11 VAL A 9 68.511 1.448 10.366 1.00 0.00 H new ATOM 0 HG12 VAL A 9 68.296 2.587 11.716 1.00 0.00 H new ATOM 0 HG13 VAL A 9 67.888 0.867 11.928 1.00 0.00 H new ATOM 0 HG21 VAL A 9 66.545 0.478 9.219 1.00 0.00 H new ATOM 0 HG22 VAL A 9 65.878 -0.092 10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.895 0.940 9.702 1.00 0.00 H new ATOM 142 N GLU A 10 66.928 2.491 13.952 1.00 0.00 N ATOM 143 CA GLU A 10 67.477 2.013 15.255 1.00 0.00 C ATOM 144 C GLU A 10 66.406 2.108 16.354 1.00 0.00 C ATOM 145 O GLU A 10 66.380 1.313 17.275 1.00 0.00 O ATOM 146 CB GLU A 10 68.637 2.965 15.556 1.00 0.00 C ATOM 147 CG GLU A 10 69.881 2.160 15.931 1.00 0.00 C ATOM 148 CD GLU A 10 71.128 2.832 15.349 1.00 0.00 C ATOM 149 OE1 GLU A 10 71.331 4.005 15.618 1.00 0.00 O ATOM 150 OE2 GLU A 10 71.861 2.162 14.642 1.00 0.00 O ATOM 0 H GLU A 10 67.273 3.403 13.651 1.00 0.00 H new ATOM 0 HA GLU A 10 67.795 0.971 15.215 1.00 0.00 H new ATOM 0 HB2 GLU A 10 68.844 3.588 14.686 1.00 0.00 H new ATOM 0 HB3 GLU A 10 68.367 3.636 16.371 1.00 0.00 H new ATOM 0 HG2 GLU A 10 69.967 2.090 17.015 1.00 0.00 H new ATOM 0 HG3 GLU A 10 69.795 1.142 15.552 1.00 0.00 H new ATOM 157 N GLN A 11 65.525 3.078 16.264 1.00 0.00 N ATOM 158 CA GLN A 11 64.456 3.230 17.304 1.00 0.00 C ATOM 159 C GLN A 11 63.235 2.341 16.996 1.00 0.00 C ATOM 160 O GLN A 11 62.251 2.374 17.711 1.00 0.00 O ATOM 161 CB GLN A 11 64.063 4.709 17.251 1.00 0.00 C ATOM 162 CG GLN A 11 65.089 5.544 18.024 1.00 0.00 C ATOM 163 CD GLN A 11 64.806 7.033 17.808 1.00 0.00 C ATOM 164 OE1 GLN A 11 64.436 7.731 18.728 1.00 0.00 O ATOM 165 NE2 GLN A 11 64.966 7.553 16.623 1.00 0.00 N ATOM 0 H GLN A 11 65.500 3.771 15.516 1.00 0.00 H new ATOM 0 HA GLN A 11 64.812 2.925 18.288 1.00 0.00 H new ATOM 0 HB2 GLN A 11 64.013 5.045 16.215 1.00 0.00 H new ATOM 0 HB3 GLN A 11 63.070 4.847 17.680 1.00 0.00 H new ATOM 0 HG2 GLN A 11 65.042 5.305 19.086 1.00 0.00 H new ATOM 0 HG3 GLN A 11 66.097 5.302 17.688 1.00 0.00 H new ATOM 0 HE21 GLN A 11 65.277 6.968 15.847 1.00 0.00 H new ATOM 0 HE22 GLN A 11 64.780 8.544 16.472 1.00 0.00 H new ATOM 174 N LEU A 12 63.282 1.547 15.949 1.00 0.00 N ATOM 175 CA LEU A 12 62.113 0.666 15.623 1.00 0.00 C ATOM 176 C LEU A 12 62.031 -0.500 16.624 1.00 0.00 C ATOM 177 O LEU A 12 63.029 -1.103 16.971 1.00 0.00 O ATOM 178 CB LEU A 12 62.381 0.146 14.204 1.00 0.00 C ATOM 179 CG LEU A 12 61.565 0.958 13.192 1.00 0.00 C ATOM 180 CD1 LEU A 12 62.090 0.691 11.781 1.00 0.00 C ATOM 181 CD2 LEU A 12 60.093 0.546 13.271 1.00 0.00 C ATOM 0 H LEU A 12 64.074 1.472 15.311 1.00 0.00 H new ATOM 0 HA LEU A 12 61.165 1.201 15.683 1.00 0.00 H new ATOM 0 HB2 LEU A 12 63.444 0.222 13.973 1.00 0.00 H new ATOM 0 HB3 LEU A 12 62.115 -0.909 14.137 1.00 0.00 H new ATOM 0 HG LEU A 12 61.659 2.019 13.422 1.00 0.00 H new ATOM 0 HD11 LEU A 12 61.510 1.269 11.061 1.00 0.00 H new ATOM 0 HD12 LEU A 12 63.138 0.985 11.721 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.997 -0.371 11.553 1.00 0.00 H new ATOM 0 HD21 LEU A 12 59.514 1.124 12.551 1.00 0.00 H new ATOM 0 HD22 LEU A 12 60.000 -0.516 13.043 1.00 0.00 H new ATOM 0 HD23 LEU A 12 59.716 0.736 14.276 1.00 0.00 H new ATOM 193 N THR A 13 60.847 -0.814 17.093 1.00 0.00 N ATOM 194 CA THR A 13 60.693 -1.936 18.081 1.00 0.00 C ATOM 195 C THR A 13 60.400 -3.257 17.369 1.00 0.00 C ATOM 196 O THR A 13 59.925 -3.280 16.249 1.00 0.00 O ATOM 197 CB THR A 13 59.512 -1.537 18.971 1.00 0.00 C ATOM 198 OG1 THR A 13 59.572 -0.145 19.265 1.00 0.00 O ATOM 199 CG2 THR A 13 59.547 -2.334 20.278 1.00 0.00 C ATOM 0 H THR A 13 59.979 -0.344 16.836 1.00 0.00 H new ATOM 0 HA THR A 13 61.606 -2.088 18.656 1.00 0.00 H new ATOM 0 HB THR A 13 58.585 -1.755 18.440 1.00 0.00 H new ATOM 0 HG1 THR A 13 58.912 0.072 19.956 1.00 0.00 H new ATOM 0 HG21 THR A 13 58.703 -2.043 20.904 1.00 0.00 H new ATOM 0 HG22 THR A 13 59.484 -3.399 20.056 1.00 0.00 H new ATOM 0 HG23 THR A 13 60.478 -2.127 20.805 1.00 0.00 H new ATOM 207 N GLU A 14 60.685 -4.360 18.023 1.00 0.00 N ATOM 208 CA GLU A 14 60.434 -5.699 17.405 1.00 0.00 C ATOM 209 C GLU A 14 58.988 -5.796 16.893 1.00 0.00 C ATOM 210 O GLU A 14 58.738 -6.307 15.817 1.00 0.00 O ATOM 211 CB GLU A 14 60.680 -6.715 18.529 1.00 0.00 C ATOM 212 CG GLU A 14 60.742 -8.134 17.945 1.00 0.00 C ATOM 213 CD GLU A 14 62.036 -8.309 17.146 1.00 0.00 C ATOM 214 OE1 GLU A 14 63.078 -8.450 17.765 1.00 0.00 O ATOM 215 OE2 GLU A 14 61.961 -8.299 15.928 1.00 0.00 O ATOM 0 H GLU A 14 61.082 -4.388 18.962 1.00 0.00 H new ATOM 0 HA GLU A 14 61.081 -5.879 16.547 1.00 0.00 H new ATOM 0 HB2 GLU A 14 61.612 -6.483 19.044 1.00 0.00 H new ATOM 0 HB3 GLU A 14 59.883 -6.651 19.270 1.00 0.00 H new ATOM 0 HG2 GLU A 14 60.697 -8.870 18.748 1.00 0.00 H new ATOM 0 HG3 GLU A 14 59.880 -8.311 17.302 1.00 0.00 H new ATOM 222 N GLU A 15 58.041 -5.300 17.654 1.00 0.00 N ATOM 223 CA GLU A 15 56.608 -5.348 17.219 1.00 0.00 C ATOM 224 C GLU A 15 56.428 -4.621 15.880 1.00 0.00 C ATOM 225 O GLU A 15 55.751 -5.102 14.991 1.00 0.00 O ATOM 226 CB GLU A 15 55.831 -4.624 18.323 1.00 0.00 C ATOM 227 CG GLU A 15 55.648 -5.556 19.522 1.00 0.00 C ATOM 228 CD GLU A 15 55.226 -4.737 20.743 1.00 0.00 C ATOM 229 OE1 GLU A 15 54.034 -4.538 20.914 1.00 0.00 O ATOM 230 OE2 GLU A 15 56.101 -4.321 21.484 1.00 0.00 O ATOM 0 H GLU A 15 58.200 -4.862 18.561 1.00 0.00 H new ATOM 0 HA GLU A 15 56.261 -6.371 17.074 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.366 -3.725 18.628 1.00 0.00 H new ATOM 0 HB3 GLU A 15 54.859 -4.304 17.947 1.00 0.00 H new ATOM 0 HG2 GLU A 15 54.894 -6.310 19.298 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.577 -6.086 19.730 1.00 0.00 H new ATOM 237 N GLN A 16 57.036 -3.468 15.731 1.00 0.00 N ATOM 238 CA GLN A 16 56.909 -2.706 14.448 1.00 0.00 C ATOM 239 C GLN A 16 57.672 -3.418 13.331 1.00 0.00 C ATOM 240 O GLN A 16 57.233 -3.466 12.197 1.00 0.00 O ATOM 241 CB GLN A 16 57.510 -1.326 14.733 1.00 0.00 C ATOM 242 CG GLN A 16 56.478 -0.457 15.462 1.00 0.00 C ATOM 243 CD GLN A 16 56.777 -0.448 16.964 1.00 0.00 C ATOM 244 OE1 GLN A 16 56.369 -1.338 17.682 1.00 0.00 O ATOM 245 NE2 GLN A 16 57.475 0.528 17.472 1.00 0.00 N ATOM 0 H GLN A 16 57.615 -3.022 16.443 1.00 0.00 H new ATOM 0 HA GLN A 16 55.873 -2.628 14.117 1.00 0.00 H new ATOM 0 HB2 GLN A 16 58.409 -1.428 15.341 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.809 -0.848 13.800 1.00 0.00 H new ATOM 0 HG2 GLN A 16 56.504 0.560 15.071 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.474 -0.842 15.284 1.00 0.00 H new ATOM 0 HE21 GLN A 16 57.819 1.276 16.870 1.00 0.00 H new ATOM 0 HE22 GLN A 16 57.678 0.544 18.471 1.00 0.00 H new ATOM 254 N LYS A 17 58.796 -3.990 13.653 1.00 0.00 N ATOM 255 CA LYS A 17 59.591 -4.732 12.625 1.00 0.00 C ATOM 256 C LYS A 17 58.767 -5.923 12.117 1.00 0.00 C ATOM 257 O LYS A 17 58.661 -6.153 10.928 1.00 0.00 O ATOM 258 CB LYS A 17 60.856 -5.207 13.351 1.00 0.00 C ATOM 259 CG LYS A 17 61.800 -5.891 12.354 1.00 0.00 C ATOM 260 CD LYS A 17 62.917 -4.922 11.956 1.00 0.00 C ATOM 261 CE LYS A 17 64.104 -5.707 11.381 1.00 0.00 C ATOM 262 NZ LYS A 17 64.357 -5.107 10.038 1.00 0.00 N ATOM 0 H LYS A 17 59.205 -3.978 14.588 1.00 0.00 H new ATOM 0 HA LYS A 17 59.845 -4.118 11.761 1.00 0.00 H new ATOM 0 HB2 LYS A 17 61.358 -4.360 13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 17 60.590 -5.900 14.149 1.00 0.00 H new ATOM 0 HG2 LYS A 17 62.226 -6.790 12.799 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.246 -6.206 11.470 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.548 -4.210 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.237 -4.345 12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 17 64.981 -5.620 12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.872 -6.769 11.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 65.284 -5.420 9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 63.615 -5.412 9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 64.348 -4.070 10.114 1.00 0.00 H new ATOM 276 N ASN A 18 58.159 -6.664 13.015 1.00 0.00 N ATOM 277 CA ASN A 18 57.313 -7.824 12.591 1.00 0.00 C ATOM 278 C ASN A 18 56.033 -7.312 11.908 1.00 0.00 C ATOM 279 O ASN A 18 55.472 -7.973 11.054 1.00 0.00 O ATOM 280 CB ASN A 18 56.978 -8.581 13.882 1.00 0.00 C ATOM 281 CG ASN A 18 58.167 -9.457 14.286 1.00 0.00 C ATOM 282 OD1 ASN A 18 58.197 -10.632 13.987 1.00 0.00 O ATOM 283 ND2 ASN A 18 59.155 -8.934 14.957 1.00 0.00 N ATOM 0 H ASN A 18 58.213 -6.515 14.023 1.00 0.00 H new ATOM 0 HA ASN A 18 57.823 -8.469 11.875 1.00 0.00 H new ATOM 0 HB2 ASN A 18 56.745 -7.875 14.680 1.00 0.00 H new ATOM 0 HB3 ASN A 18 56.092 -9.198 13.734 1.00 0.00 H new ATOM 0 HD21 ASN A 18 59.950 -9.513 15.229 1.00 0.00 H new ATOM 0 HD22 ASN A 18 59.133 -7.946 15.210 1.00 0.00 H new ATOM 290 N GLU A 19 55.582 -6.130 12.267 1.00 0.00 N ATOM 291 CA GLU A 19 54.357 -5.558 11.630 1.00 0.00 C ATOM 292 C GLU A 19 54.652 -5.246 10.154 1.00 0.00 C ATOM 293 O GLU A 19 53.933 -5.669 9.268 1.00 0.00 O ATOM 294 CB GLU A 19 54.059 -4.280 12.433 1.00 0.00 C ATOM 295 CG GLU A 19 53.341 -3.252 11.551 1.00 0.00 C ATOM 296 CD GLU A 19 53.248 -1.916 12.289 1.00 0.00 C ATOM 297 OE1 GLU A 19 54.283 -1.306 12.505 1.00 0.00 O ATOM 298 OE2 GLU A 19 52.143 -1.521 12.621 1.00 0.00 O ATOM 0 H GLU A 19 56.014 -5.538 12.976 1.00 0.00 H new ATOM 0 HA GLU A 19 53.504 -6.237 11.643 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.441 -4.522 13.298 1.00 0.00 H new ATOM 0 HB3 GLU A 19 54.989 -3.857 12.814 1.00 0.00 H new ATOM 0 HG2 GLU A 19 53.881 -3.123 10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 19 52.343 -3.609 11.298 1.00 0.00 H new ATOM 305 N PHE A 20 55.718 -4.528 9.884 1.00 0.00 N ATOM 306 CA PHE A 20 56.067 -4.214 8.463 1.00 0.00 C ATOM 307 C PHE A 20 56.471 -5.503 7.729 1.00 0.00 C ATOM 308 O PHE A 20 56.302 -5.616 6.531 1.00 0.00 O ATOM 309 CB PHE A 20 57.237 -3.227 8.532 1.00 0.00 C ATOM 310 CG PHE A 20 56.706 -1.830 8.775 1.00 0.00 C ATOM 311 CD1 PHE A 20 55.970 -1.173 7.780 1.00 0.00 C ATOM 312 CD2 PHE A 20 56.947 -1.195 9.999 1.00 0.00 C ATOM 313 CE1 PHE A 20 55.479 0.119 8.010 1.00 0.00 C ATOM 314 CE2 PHE A 20 56.455 0.096 10.229 1.00 0.00 C ATOM 315 CZ PHE A 20 55.721 0.752 9.235 1.00 0.00 C ATOM 0 H PHE A 20 56.357 -4.149 10.583 1.00 0.00 H new ATOM 0 HA PHE A 20 55.227 -3.786 7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.920 -3.512 9.332 1.00 0.00 H new ATOM 0 HB3 PHE A 20 57.805 -3.255 7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.781 -1.662 6.836 1.00 0.00 H new ATOM 0 HD2 PHE A 20 57.513 -1.701 10.767 1.00 0.00 H new ATOM 0 HE1 PHE A 20 54.914 0.627 7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 20 56.642 0.585 11.174 1.00 0.00 H new ATOM 0 HZ PHE A 20 55.341 1.747 9.413 1.00 0.00 H new ATOM 325 N LYS A 21 56.985 -6.483 8.445 1.00 0.00 N ATOM 326 CA LYS A 21 57.377 -7.776 7.796 1.00 0.00 C ATOM 327 C LYS A 21 56.156 -8.393 7.096 1.00 0.00 C ATOM 328 O LYS A 21 56.232 -8.808 5.955 1.00 0.00 O ATOM 329 CB LYS A 21 57.871 -8.667 8.950 1.00 0.00 C ATOM 330 CG LYS A 21 57.706 -10.153 8.598 1.00 0.00 C ATOM 331 CD LYS A 21 58.608 -10.511 7.410 1.00 0.00 C ATOM 332 CE LYS A 21 59.050 -11.976 7.519 1.00 0.00 C ATOM 333 NZ LYS A 21 58.574 -12.626 6.263 1.00 0.00 N ATOM 0 H LYS A 21 57.149 -6.440 9.451 1.00 0.00 H new ATOM 0 HA LYS A 21 58.147 -7.653 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.919 -8.452 9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.312 -8.439 9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 21 57.962 -10.770 9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 21 56.665 -10.364 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 21 58.073 -10.351 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 21 59.481 -9.858 7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 21 60.133 -12.054 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 21 58.616 -12.453 8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 59.252 -13.360 5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 57.643 -13.060 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 58.495 -11.912 5.511 1.00 0.00 H new ATOM 347 N ALA A 22 55.031 -8.438 7.769 1.00 0.00 N ATOM 348 CA ALA A 22 53.800 -9.010 7.141 1.00 0.00 C ATOM 349 C ALA A 22 53.392 -8.159 5.931 1.00 0.00 C ATOM 350 O ALA A 22 53.118 -8.678 4.865 1.00 0.00 O ATOM 351 CB ALA A 22 52.731 -8.955 8.235 1.00 0.00 C ATOM 0 H ALA A 22 54.913 -8.103 8.725 1.00 0.00 H new ATOM 0 HA ALA A 22 53.948 -10.027 6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.795 -9.359 7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 22 53.056 -9.546 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.580 -7.921 8.544 1.00 0.00 H new ATOM 357 N ALA A 23 53.372 -6.854 6.085 1.00 0.00 N ATOM 358 CA ALA A 23 53.006 -5.961 4.939 1.00 0.00 C ATOM 359 C ALA A 23 54.003 -6.163 3.789 1.00 0.00 C ATOM 360 O ALA A 23 53.626 -6.253 2.635 1.00 0.00 O ATOM 361 CB ALA A 23 53.103 -4.535 5.494 1.00 0.00 C ATOM 0 H ALA A 23 53.593 -6.370 6.955 1.00 0.00 H new ATOM 0 HA ALA A 23 52.011 -6.171 4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 23 52.848 -3.821 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.410 -4.421 6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.120 -4.347 5.839 1.00 0.00 H new ATOM 367 N PHE A 24 55.272 -6.250 4.105 1.00 0.00 N ATOM 368 CA PHE A 24 56.308 -6.466 3.050 1.00 0.00 C ATOM 369 C PHE A 24 56.022 -7.778 2.306 1.00 0.00 C ATOM 370 O PHE A 24 56.017 -7.818 1.092 1.00 0.00 O ATOM 371 CB PHE A 24 57.636 -6.547 3.817 1.00 0.00 C ATOM 372 CG PHE A 24 58.769 -6.874 2.869 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.110 -8.208 2.612 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.481 -5.841 2.254 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.161 -8.505 1.734 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.531 -6.138 1.378 1.00 0.00 C ATOM 377 CZ PHE A 24 60.872 -7.469 1.120 1.00 0.00 C ATOM 0 H PHE A 24 55.636 -6.180 5.055 1.00 0.00 H new ATOM 0 HA PHE A 24 56.323 -5.674 2.301 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.833 -5.599 4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.570 -7.310 4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.563 -9.007 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.221 -4.812 2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.422 -9.533 1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.078 -5.338 0.901 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.685 -7.697 0.446 1.00 0.00 H new ATOM 387 N ASP A 25 55.772 -8.844 3.033 1.00 0.00 N ATOM 388 CA ASP A 25 55.472 -10.159 2.381 1.00 0.00 C ATOM 389 C ASP A 25 54.278 -10.022 1.424 1.00 0.00 C ATOM 390 O ASP A 25 54.288 -10.558 0.332 1.00 0.00 O ATOM 391 CB ASP A 25 55.135 -11.112 3.535 1.00 0.00 C ATOM 392 CG ASP A 25 56.416 -11.759 4.073 1.00 0.00 C ATOM 393 OD1 ASP A 25 57.394 -11.049 4.253 1.00 0.00 O ATOM 394 OD2 ASP A 25 56.398 -12.957 4.302 1.00 0.00 O ATOM 0 H ASP A 25 55.763 -8.858 4.053 1.00 0.00 H new ATOM 0 HA ASP A 25 56.310 -10.523 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 25 54.631 -10.566 4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 25 54.445 -11.883 3.191 1.00 0.00 H new ATOM 399 N ILE A 26 53.257 -9.297 1.821 1.00 0.00 N ATOM 400 CA ILE A 26 52.067 -9.111 0.925 1.00 0.00 C ATOM 401 C ILE A 26 52.473 -8.328 -0.335 1.00 0.00 C ATOM 402 O ILE A 26 51.902 -8.505 -1.395 1.00 0.00 O ATOM 403 CB ILE A 26 51.053 -8.302 1.750 1.00 0.00 C ATOM 404 CG1 ILE A 26 50.578 -9.123 2.961 1.00 0.00 C ATOM 405 CG2 ILE A 26 49.846 -7.928 0.878 1.00 0.00 C ATOM 406 CD1 ILE A 26 49.921 -10.433 2.500 1.00 0.00 C ATOM 0 H ILE A 26 53.196 -8.827 2.724 1.00 0.00 H new ATOM 0 HA ILE A 26 51.652 -10.064 0.596 1.00 0.00 H new ATOM 0 HB ILE A 26 51.538 -7.392 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 26 51.424 -9.343 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 26 49.868 -8.540 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.133 -7.355 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.180 -7.327 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 26 49.367 -8.836 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 26 49.591 -11.001 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 26 49.062 -10.207 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 26 50.643 -11.023 1.934 1.00 0.00 H new ATOM 418 N PHE A 27 53.453 -7.464 -0.222 1.00 0.00 N ATOM 419 CA PHE A 27 53.901 -6.666 -1.405 1.00 0.00 C ATOM 420 C PHE A 27 54.729 -7.526 -2.371 1.00 0.00 C ATOM 421 O PHE A 27 54.743 -7.281 -3.563 1.00 0.00 O ATOM 422 CB PHE A 27 54.764 -5.542 -0.826 1.00 0.00 C ATOM 423 CG PHE A 27 54.199 -4.206 -1.241 1.00 0.00 C ATOM 424 CD1 PHE A 27 54.238 -3.814 -2.585 1.00 0.00 C ATOM 425 CD2 PHE A 27 53.634 -3.361 -0.281 1.00 0.00 C ATOM 426 CE1 PHE A 27 53.710 -2.576 -2.967 1.00 0.00 C ATOM 427 CE2 PHE A 27 53.106 -2.123 -0.662 1.00 0.00 C ATOM 428 CZ PHE A 27 53.143 -1.730 -2.006 1.00 0.00 C ATOM 0 H PHE A 27 53.963 -7.277 0.641 1.00 0.00 H new ATOM 0 HA PHE A 27 53.053 -6.287 -1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 27 54.792 -5.615 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 27 55.791 -5.640 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 27 54.675 -4.467 -3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 27 53.605 -3.664 0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.740 -2.273 -4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 27 52.670 -1.470 0.080 1.00 0.00 H new ATOM 0 HZ PHE A 27 52.734 -0.775 -2.301 1.00 0.00 H new ATOM 438 N VAL A 28 55.417 -8.528 -1.876 1.00 0.00 N ATOM 439 CA VAL A 28 56.234 -9.391 -2.788 1.00 0.00 C ATOM 440 C VAL A 28 55.667 -10.817 -2.840 1.00 0.00 C ATOM 441 O VAL A 28 54.984 -11.169 -3.782 1.00 0.00 O ATOM 442 CB VAL A 28 57.684 -9.385 -2.253 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.462 -8.255 -2.926 1.00 0.00 C ATOM 444 CG2 VAL A 28 57.723 -9.173 -0.734 1.00 0.00 C ATOM 0 H VAL A 28 55.448 -8.784 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 28 56.208 -9.005 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 28 58.131 -10.353 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.486 -8.246 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 28 58.471 -8.411 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 28 57.985 -7.301 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.758 -9.174 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.261 -8.217 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.177 -9.977 -0.240 1.00 0.00 H new ATOM 454 N LEU A 29 55.946 -11.636 -1.842 1.00 0.00 N ATOM 455 CA LEU A 29 55.436 -13.051 -1.822 1.00 0.00 C ATOM 456 C LEU A 29 56.094 -13.874 -2.942 1.00 0.00 C ATOM 457 O LEU A 29 56.897 -14.749 -2.681 1.00 0.00 O ATOM 458 CB LEU A 29 53.914 -12.958 -2.014 1.00 0.00 C ATOM 459 CG LEU A 29 53.209 -13.467 -0.756 1.00 0.00 C ATOM 460 CD1 LEU A 29 51.869 -12.745 -0.594 1.00 0.00 C ATOM 461 CD2 LEU A 29 52.963 -14.974 -0.879 1.00 0.00 C ATOM 0 H LEU A 29 56.512 -11.379 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 29 55.677 -13.554 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 29 53.624 -11.926 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.609 -13.548 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 29 53.836 -13.271 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 29 51.366 -13.108 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 29 52.042 -11.673 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 29 51.243 -12.940 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 29 52.461 -15.335 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 29 52.337 -15.171 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 29 53.916 -15.490 -0.994 1.00 0.00 H new ATOM 473 N GLY A 30 55.777 -13.590 -4.183 1.00 0.00 N ATOM 474 CA GLY A 30 56.398 -14.342 -5.315 1.00 0.00 C ATOM 475 C GLY A 30 57.563 -13.529 -5.893 1.00 0.00 C ATOM 476 O GLY A 30 57.745 -13.463 -7.093 1.00 0.00 O ATOM 0 H GLY A 30 55.113 -12.867 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 30 56.754 -15.312 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 30 55.655 -14.533 -6.089 1.00 0.00 H new ATOM 480 N ALA A 31 58.353 -12.908 -5.048 1.00 0.00 N ATOM 481 CA ALA A 31 59.508 -12.095 -5.551 1.00 0.00 C ATOM 482 C ALA A 31 60.677 -13.008 -5.963 1.00 0.00 C ATOM 483 O ALA A 31 60.604 -14.218 -5.846 1.00 0.00 O ATOM 484 CB ALA A 31 59.905 -11.197 -4.375 1.00 0.00 C ATOM 0 H ALA A 31 58.248 -12.929 -4.034 1.00 0.00 H new ATOM 0 HA ALA A 31 59.245 -11.514 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.747 -10.569 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 31 59.060 -10.566 -4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 31 60.190 -11.816 -3.524 1.00 0.00 H new ATOM 524 N CYS A 35 62.651 -9.409 -2.303 1.00 0.00 N ATOM 525 CA CYS A 35 62.812 -7.922 -2.299 1.00 0.00 C ATOM 526 C CYS A 35 61.741 -7.266 -3.179 1.00 0.00 C ATOM 527 O CYS A 35 61.379 -7.783 -4.220 1.00 0.00 O ATOM 528 CB CYS A 35 64.213 -7.677 -2.870 1.00 0.00 C ATOM 529 SG CYS A 35 64.390 -8.536 -4.455 1.00 0.00 S ATOM 0 HA CYS A 35 62.698 -7.495 -1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.379 -6.608 -3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.968 -8.031 -2.168 1.00 0.00 H new ATOM 0 HG CYS A 35 63.233 -8.601 -5.045 1.00 0.00 H new ATOM 535 N ILE A 36 61.235 -6.129 -2.769 1.00 0.00 N ATOM 536 CA ILE A 36 60.186 -5.437 -3.581 1.00 0.00 C ATOM 537 C ILE A 36 60.833 -4.713 -4.770 1.00 0.00 C ATOM 538 O ILE A 36 61.310 -3.600 -4.649 1.00 0.00 O ATOM 539 CB ILE A 36 59.519 -4.427 -2.634 1.00 0.00 C ATOM 540 CG1 ILE A 36 58.852 -5.165 -1.469 1.00 0.00 C ATOM 541 CG2 ILE A 36 58.453 -3.636 -3.398 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.580 -4.179 -0.330 1.00 0.00 C ATOM 0 H ILE A 36 61.502 -5.651 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 36 59.459 -6.141 -3.987 1.00 0.00 H new ATOM 0 HB ILE A 36 60.279 -3.748 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 36 57.919 -5.621 -1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.496 -5.972 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 36 57.980 -2.920 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 36 58.920 -3.103 -4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 36 57.700 -4.322 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.105 -4.703 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.521 -3.744 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.920 -3.387 -0.684 1.00 0.00 H new ATOM 554 N SER A 37 60.843 -5.337 -5.918 1.00 0.00 N ATOM 555 CA SER A 37 61.446 -4.686 -7.122 1.00 0.00 C ATOM 556 C SER A 37 60.387 -3.837 -7.838 1.00 0.00 C ATOM 557 O SER A 37 59.262 -3.720 -7.384 1.00 0.00 O ATOM 558 CB SER A 37 61.914 -5.840 -8.016 1.00 0.00 C ATOM 559 OG SER A 37 60.791 -6.616 -8.421 1.00 0.00 O ATOM 0 H SER A 37 60.460 -6.269 -6.076 1.00 0.00 H new ATOM 0 HA SER A 37 62.271 -4.021 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.433 -5.448 -8.891 1.00 0.00 H new ATOM 0 HB3 SER A 37 62.626 -6.465 -7.477 1.00 0.00 H new ATOM 0 HG SER A 37 61.092 -7.352 -8.994 1.00 0.00 H new ATOM 565 N THR A 38 60.736 -3.248 -8.953 1.00 0.00 N ATOM 566 CA THR A 38 59.748 -2.407 -9.705 1.00 0.00 C ATOM 567 C THR A 38 58.480 -3.219 -10.021 1.00 0.00 C ATOM 568 O THR A 38 57.379 -2.701 -9.985 1.00 0.00 O ATOM 569 CB THR A 38 60.459 -2.000 -11.005 1.00 0.00 C ATOM 570 OG1 THR A 38 61.152 -3.122 -11.541 1.00 0.00 O ATOM 571 CG2 THR A 38 61.454 -0.875 -10.714 1.00 0.00 C ATOM 0 H THR A 38 61.661 -3.311 -9.378 1.00 0.00 H new ATOM 0 HA THR A 38 59.435 -1.539 -9.125 1.00 0.00 H new ATOM 0 HB THR A 38 59.720 -1.652 -11.727 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.604 -2.862 -12.371 1.00 0.00 H new ATOM 0 HG21 THR A 38 61.958 -0.587 -11.637 1.00 0.00 H new ATOM 0 HG22 THR A 38 60.922 -0.015 -10.307 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.192 -1.220 -9.990 1.00 0.00 H new ATOM 579 N LYS A 39 58.630 -4.488 -10.325 1.00 0.00 N ATOM 580 CA LYS A 39 57.438 -5.340 -10.640 1.00 0.00 C ATOM 581 C LYS A 39 56.617 -5.612 -9.369 1.00 0.00 C ATOM 582 O LYS A 39 55.404 -5.518 -9.378 1.00 0.00 O ATOM 583 CB LYS A 39 58.014 -6.650 -11.193 1.00 0.00 C ATOM 584 CG LYS A 39 58.620 -6.409 -12.580 1.00 0.00 C ATOM 585 CD LYS A 39 59.524 -7.588 -12.955 1.00 0.00 C ATOM 586 CE LYS A 39 60.815 -7.532 -12.127 1.00 0.00 C ATOM 587 NZ LYS A 39 60.779 -8.747 -11.263 1.00 0.00 N ATOM 0 H LYS A 39 59.528 -4.970 -10.368 1.00 0.00 H new ATOM 0 HA LYS A 39 56.769 -4.854 -11.351 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.776 -7.037 -10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.230 -7.405 -11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 39 57.828 -6.295 -13.320 1.00 0.00 H new ATOM 0 HG3 LYS A 39 59.194 -5.482 -12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 39 59.005 -8.529 -12.774 1.00 0.00 H new ATOM 0 HD3 LYS A 39 59.761 -7.554 -14.018 1.00 0.00 H new ATOM 0 HE2 LYS A 39 61.695 -7.532 -12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 39 60.859 -6.623 -11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 61.445 -8.631 -10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 59.817 -8.879 -10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 61.050 -9.580 -11.824 1.00 0.00 H new ATOM 601 N GLU A 40 57.269 -5.950 -8.280 1.00 0.00 N ATOM 602 CA GLU A 40 56.526 -6.233 -7.007 1.00 0.00 C ATOM 603 C GLU A 40 55.797 -4.974 -6.514 1.00 0.00 C ATOM 604 O GLU A 40 54.684 -5.048 -6.031 1.00 0.00 O ATOM 605 CB GLU A 40 57.591 -6.683 -5.997 1.00 0.00 C ATOM 606 CG GLU A 40 58.283 -7.962 -6.496 1.00 0.00 C ATOM 607 CD GLU A 40 57.261 -9.096 -6.630 1.00 0.00 C ATOM 608 OE1 GLU A 40 56.619 -9.171 -7.664 1.00 0.00 O ATOM 609 OE2 GLU A 40 57.139 -9.871 -5.697 1.00 0.00 O ATOM 0 H GLU A 40 58.283 -6.042 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 40 55.762 -6.998 -7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.328 -5.892 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 40 57.130 -6.865 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 40 58.759 -7.775 -7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 40 59.071 -8.253 -5.802 1.00 0.00 H new ATOM 616 N LEU A 41 56.408 -3.819 -6.646 1.00 0.00 N ATOM 617 CA LEU A 41 55.735 -2.556 -6.200 1.00 0.00 C ATOM 618 C LEU A 41 54.509 -2.294 -7.084 1.00 0.00 C ATOM 619 O LEU A 41 53.382 -2.339 -6.628 1.00 0.00 O ATOM 620 CB LEU A 41 56.792 -1.454 -6.388 1.00 0.00 C ATOM 621 CG LEU A 41 56.226 -0.077 -6.005 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.564 0.573 -7.218 1.00 0.00 C ATOM 623 CD2 LEU A 41 55.197 -0.210 -4.877 1.00 0.00 C ATOM 0 H LEU A 41 57.340 -3.697 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 41 55.386 -2.602 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.666 -1.675 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.126 -1.438 -7.426 1.00 0.00 H new ATOM 0 HG LEU A 41 57.051 0.547 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.166 1.548 -6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 41 56.301 0.697 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.752 -0.062 -7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 41 54.809 0.776 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 41 54.377 -0.849 -5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 41 55.672 -0.652 -4.001 1.00 0.00 H new ATOM 635 N GLY A 42 54.735 -2.019 -8.346 1.00 0.00 N ATOM 636 CA GLY A 42 53.607 -1.749 -9.299 1.00 0.00 C ATOM 637 C GLY A 42 52.512 -2.823 -9.171 1.00 0.00 C ATOM 638 O GLY A 42 51.340 -2.537 -9.334 1.00 0.00 O ATOM 0 H GLY A 42 55.664 -1.969 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.183 -0.765 -9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.986 -1.730 -10.321 1.00 0.00 H new ATOM 642 N LYS A 43 52.883 -4.050 -8.874 1.00 0.00 N ATOM 643 CA LYS A 43 51.864 -5.144 -8.724 1.00 0.00 C ATOM 644 C LYS A 43 50.763 -4.725 -7.735 1.00 0.00 C ATOM 645 O LYS A 43 49.587 -4.891 -8.000 1.00 0.00 O ATOM 646 CB LYS A 43 52.649 -6.346 -8.179 1.00 0.00 C ATOM 647 CG LYS A 43 51.720 -7.559 -8.037 1.00 0.00 C ATOM 648 CD LYS A 43 52.038 -8.303 -6.735 1.00 0.00 C ATOM 649 CE LYS A 43 53.308 -9.147 -6.915 1.00 0.00 C ATOM 650 NZ LYS A 43 54.136 -8.879 -5.703 1.00 0.00 N ATOM 0 H LYS A 43 53.850 -4.341 -8.729 1.00 0.00 H new ATOM 0 HA LYS A 43 51.367 -5.373 -9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 43 53.474 -6.586 -8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 43 53.086 -6.097 -7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.679 -7.234 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 43 51.845 -8.227 -8.889 1.00 0.00 H new ATOM 0 HD2 LYS A 43 52.176 -7.590 -5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 43 51.201 -8.944 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.067 -10.207 -7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 43 53.840 -8.867 -7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 54.915 -9.566 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 54.526 -7.916 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 53.545 -8.967 -4.852 1.00 0.00 H new ATOM 664 N VAL A 44 51.139 -4.179 -6.603 1.00 0.00 N ATOM 665 CA VAL A 44 50.120 -3.743 -5.594 1.00 0.00 C ATOM 666 C VAL A 44 49.664 -2.296 -5.871 1.00 0.00 C ATOM 667 O VAL A 44 48.600 -1.884 -5.444 1.00 0.00 O ATOM 668 CB VAL A 44 50.832 -3.833 -4.238 1.00 0.00 C ATOM 669 CG1 VAL A 44 49.862 -3.445 -3.120 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.320 -5.267 -4.002 1.00 0.00 C ATOM 0 H VAL A 44 52.109 -4.016 -6.333 1.00 0.00 H new ATOM 0 HA VAL A 44 49.225 -4.364 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 44 51.683 -3.152 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 44 50.371 -3.510 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 44 49.514 -2.424 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.009 -4.124 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 44 51.825 -5.325 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.468 -5.947 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 44 52.015 -5.550 -4.793 1.00 0.00 H new ATOM 680 N MET A 45 50.458 -1.525 -6.579 1.00 0.00 N ATOM 681 CA MET A 45 50.074 -0.105 -6.884 1.00 0.00 C ATOM 682 C MET A 45 48.725 -0.030 -7.620 1.00 0.00 C ATOM 683 O MET A 45 48.040 0.972 -7.558 1.00 0.00 O ATOM 684 CB MET A 45 51.193 0.428 -7.779 1.00 0.00 C ATOM 685 CG MET A 45 52.178 1.238 -6.937 1.00 0.00 C ATOM 686 SD MET A 45 53.071 2.391 -8.007 1.00 0.00 S ATOM 687 CE MET A 45 52.854 3.864 -6.982 1.00 0.00 C ATOM 0 H MET A 45 51.358 -1.818 -6.960 1.00 0.00 H new ATOM 0 HA MET A 45 49.956 0.477 -5.970 1.00 0.00 H new ATOM 0 HB2 MET A 45 51.709 -0.400 -8.266 1.00 0.00 H new ATOM 0 HB3 MET A 45 50.775 1.052 -8.569 1.00 0.00 H new ATOM 0 HG2 MET A 45 51.645 1.784 -6.159 1.00 0.00 H new ATOM 0 HG3 MET A 45 52.880 0.571 -6.435 1.00 0.00 H new ATOM 0 HE1 MET A 45 53.337 4.715 -7.462 1.00 0.00 H new ATOM 0 HE2 MET A 45 51.790 4.070 -6.862 1.00 0.00 H new ATOM 0 HE3 MET A 45 53.303 3.696 -6.003 1.00 0.00 H new ATOM 697 N ARG A 46 48.341 -1.078 -8.313 1.00 0.00 N ATOM 698 CA ARG A 46 47.035 -1.069 -9.054 1.00 0.00 C ATOM 699 C ARG A 46 45.883 -0.617 -8.141 1.00 0.00 C ATOM 700 O ARG A 46 44.970 0.058 -8.577 1.00 0.00 O ATOM 701 CB ARG A 46 46.820 -2.518 -9.502 1.00 0.00 C ATOM 702 CG ARG A 46 46.908 -2.601 -11.028 1.00 0.00 C ATOM 703 CD ARG A 46 47.121 -4.057 -11.448 1.00 0.00 C ATOM 704 NE ARG A 46 48.599 -4.260 -11.408 1.00 0.00 N ATOM 705 CZ ARG A 46 49.100 -5.449 -11.582 1.00 0.00 C ATOM 706 NH1 ARG A 46 49.238 -6.252 -10.566 1.00 0.00 N ATOM 707 NH2 ARG A 46 49.460 -5.831 -12.775 1.00 0.00 N ATOM 0 H ARG A 46 48.877 -1.942 -8.398 1.00 0.00 H new ATOM 0 HA ARG A 46 47.056 -0.374 -9.893 1.00 0.00 H new ATOM 0 HB2 ARG A 46 47.571 -3.165 -9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 46 45.847 -2.873 -9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 46 45.994 -2.212 -11.477 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.730 -1.983 -11.390 1.00 0.00 H new ATOM 0 HD2 ARG A 46 46.610 -4.742 -10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 46 46.724 -4.242 -12.446 1.00 0.00 H new ATOM 0 HE ARG A 46 49.218 -3.466 -11.244 1.00 0.00 H new ATOM 0 HH11 ARG A 46 48.954 -5.949 -9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 46 49.630 -7.184 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 46 49.349 -5.199 -13.568 1.00 0.00 H new ATOM 0 HH22 ARG A 46 49.853 -6.762 -12.916 1.00 0.00 H new ATOM 721 N MET A 47 45.919 -0.985 -6.884 1.00 0.00 N ATOM 722 CA MET A 47 44.826 -0.577 -5.946 1.00 0.00 C ATOM 723 C MET A 47 45.030 0.867 -5.462 1.00 0.00 C ATOM 724 O MET A 47 44.078 1.568 -5.175 1.00 0.00 O ATOM 725 CB MET A 47 44.927 -1.547 -4.767 1.00 0.00 C ATOM 726 CG MET A 47 44.432 -2.933 -5.191 1.00 0.00 C ATOM 727 SD MET A 47 43.620 -3.745 -3.791 1.00 0.00 S ATOM 728 CE MET A 47 45.118 -4.367 -2.990 1.00 0.00 C ATOM 0 H MET A 47 46.658 -1.550 -6.466 1.00 0.00 H new ATOM 0 HA MET A 47 43.849 -0.612 -6.429 1.00 0.00 H new ATOM 0 HB2 MET A 47 45.959 -1.609 -4.423 1.00 0.00 H new ATOM 0 HB3 MET A 47 44.334 -1.179 -3.930 1.00 0.00 H new ATOM 0 HG2 MET A 47 43.736 -2.842 -6.025 1.00 0.00 H new ATOM 0 HG3 MET A 47 45.269 -3.538 -5.539 1.00 0.00 H new ATOM 0 HE1 MET A 47 44.848 -4.912 -2.086 1.00 0.00 H new ATOM 0 HE2 MET A 47 45.645 -5.034 -3.672 1.00 0.00 H new ATOM 0 HE3 MET A 47 45.766 -3.530 -2.729 1.00 0.00 H new ATOM 738 N LEU A 48 46.259 1.313 -5.356 1.00 0.00 N ATOM 739 CA LEU A 48 46.518 2.696 -4.882 1.00 0.00 C ATOM 740 C LEU A 48 47.563 3.391 -5.767 1.00 0.00 C ATOM 741 O LEU A 48 48.740 3.412 -5.456 1.00 0.00 O ATOM 742 CB LEU A 48 47.045 2.517 -3.460 1.00 0.00 C ATOM 743 CG LEU A 48 46.691 3.753 -2.652 1.00 0.00 C ATOM 744 CD1 LEU A 48 45.903 3.346 -1.407 1.00 0.00 C ATOM 745 CD2 LEU A 48 47.974 4.477 -2.239 1.00 0.00 C ATOM 0 H LEU A 48 47.093 0.771 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 48 45.626 3.321 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 48 46.608 1.629 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 48 48.125 2.370 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 48 46.079 4.420 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 48 45.651 4.235 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 48 44.988 2.836 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 48 46.508 2.676 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 48 47.720 5.364 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 48 48.589 3.811 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 48 48.528 4.772 -3.130 1.00 0.00 H new ATOM 757 N GLY A 49 47.138 3.965 -6.866 1.00 0.00 N ATOM 758 CA GLY A 49 48.098 4.666 -7.773 1.00 0.00 C ATOM 759 C GLY A 49 48.810 3.646 -8.663 1.00 0.00 C ATOM 760 O GLY A 49 49.852 3.129 -8.314 1.00 0.00 O ATOM 0 H GLY A 49 46.166 3.978 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 49 47.567 5.391 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 49 48.828 5.222 -7.185 1.00 0.00 H new ATOM 764 N GLN A 50 48.253 3.356 -9.812 1.00 0.00 N ATOM 765 CA GLN A 50 48.892 2.365 -10.736 1.00 0.00 C ATOM 766 C GLN A 50 50.233 2.896 -11.255 1.00 0.00 C ATOM 767 O GLN A 50 50.442 4.091 -11.363 1.00 0.00 O ATOM 768 CB GLN A 50 47.910 2.201 -11.900 1.00 0.00 C ATOM 769 CG GLN A 50 46.586 1.621 -11.388 1.00 0.00 C ATOM 770 CD GLN A 50 45.470 2.658 -11.544 1.00 0.00 C ATOM 771 OE1 GLN A 50 45.633 3.805 -11.178 1.00 0.00 O ATOM 772 NE2 GLN A 50 44.333 2.302 -12.074 1.00 0.00 N ATOM 0 H GLN A 50 47.382 3.763 -10.152 1.00 0.00 H new ATOM 0 HA GLN A 50 49.094 1.420 -10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 50 47.734 3.165 -12.378 1.00 0.00 H new ATOM 0 HB3 GLN A 50 48.337 1.543 -12.657 1.00 0.00 H new ATOM 0 HG2 GLN A 50 46.335 0.717 -11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 50 46.685 1.334 -10.341 1.00 0.00 H new ATOM 0 HE21 GLN A 50 44.193 1.340 -12.382 1.00 0.00 H new ATOM 0 HE22 GLN A 50 43.584 2.986 -12.180 1.00 0.00 H new ATOM 781 N ASN A 51 51.136 2.011 -11.588 1.00 0.00 N ATOM 782 CA ASN A 51 52.465 2.449 -12.112 1.00 0.00 C ATOM 783 C ASN A 51 52.470 2.400 -13.650 1.00 0.00 C ATOM 784 O ASN A 51 52.430 1.337 -14.239 1.00 0.00 O ATOM 785 CB ASN A 51 53.488 1.465 -11.518 1.00 0.00 C ATOM 786 CG ASN A 51 53.166 0.026 -11.938 1.00 0.00 C ATOM 787 OD1 ASN A 51 52.093 -0.477 -11.670 1.00 0.00 O ATOM 788 ND2 ASN A 51 54.062 -0.665 -12.585 1.00 0.00 N ATOM 0 H ASN A 51 51.011 1.001 -11.520 1.00 0.00 H new ATOM 0 HA ASN A 51 52.701 3.476 -11.832 1.00 0.00 H new ATOM 0 HB2 ASN A 51 54.491 1.730 -11.852 1.00 0.00 H new ATOM 0 HB3 ASN A 51 53.484 1.541 -10.431 1.00 0.00 H new ATOM 0 HD21 ASN A 51 53.861 -1.625 -12.865 1.00 0.00 H new ATOM 0 HD22 ASN A 51 54.964 -0.246 -12.812 1.00 0.00 H new ATOM 795 N PRO A 52 52.512 3.565 -14.253 1.00 0.00 N ATOM 796 CA PRO A 52 52.519 3.658 -15.738 1.00 0.00 C ATOM 797 C PRO A 52 53.846 3.137 -16.312 1.00 0.00 C ATOM 798 O PRO A 52 53.863 2.416 -17.291 1.00 0.00 O ATOM 799 CB PRO A 52 52.341 5.153 -16.003 1.00 0.00 C ATOM 800 CG PRO A 52 52.837 5.828 -14.764 1.00 0.00 C ATOM 801 CD PRO A 52 52.560 4.890 -13.619 1.00 0.00 C ATOM 0 HA PRO A 52 51.743 3.055 -16.210 1.00 0.00 H new ATOM 0 HB2 PRO A 52 52.908 5.469 -16.878 1.00 0.00 H new ATOM 0 HB3 PRO A 52 51.296 5.398 -16.195 1.00 0.00 H new ATOM 0 HG2 PRO A 52 53.903 6.041 -14.840 1.00 0.00 H new ATOM 0 HG3 PRO A 52 52.331 6.782 -14.614 1.00 0.00 H new ATOM 0 HD2 PRO A 52 53.342 4.942 -12.861 1.00 0.00 H new ATOM 0 HD3 PRO A 52 51.619 5.131 -13.124 1.00 0.00 H new ATOM 809 N THR A 53 54.953 3.497 -15.712 1.00 0.00 N ATOM 810 CA THR A 53 56.278 3.025 -16.220 1.00 0.00 C ATOM 811 C THR A 53 57.079 2.368 -15.087 1.00 0.00 C ATOM 812 O THR A 53 56.976 2.771 -13.943 1.00 0.00 O ATOM 813 CB THR A 53 56.996 4.285 -16.729 1.00 0.00 C ATOM 814 OG1 THR A 53 56.524 5.434 -16.034 1.00 0.00 O ATOM 815 CG2 THR A 53 56.731 4.451 -18.226 1.00 0.00 C ATOM 0 H THR A 53 54.996 4.099 -14.890 1.00 0.00 H new ATOM 0 HA THR A 53 56.169 2.279 -17.007 1.00 0.00 H new ATOM 0 HB THR A 53 58.067 4.179 -16.553 1.00 0.00 H new ATOM 0 HG1 THR A 53 56.989 6.231 -16.365 1.00 0.00 H new ATOM 0 HG21 THR A 53 57.240 5.344 -18.589 1.00 0.00 H new ATOM 0 HG22 THR A 53 57.105 3.578 -18.761 1.00 0.00 H new ATOM 0 HG23 THR A 53 55.659 4.549 -18.397 1.00 0.00 H new ATOM 823 N PRO A 54 57.861 1.371 -15.443 1.00 0.00 N ATOM 824 CA PRO A 54 58.695 0.651 -14.438 1.00 0.00 C ATOM 825 C PRO A 54 59.794 1.569 -13.884 1.00 0.00 C ATOM 826 O PRO A 54 60.119 1.518 -12.712 1.00 0.00 O ATOM 827 CB PRO A 54 59.287 -0.513 -15.231 1.00 0.00 C ATOM 828 CG PRO A 54 59.259 -0.059 -16.654 1.00 0.00 C ATOM 829 CD PRO A 54 58.049 0.827 -16.796 1.00 0.00 C ATOM 0 HA PRO A 54 58.127 0.318 -13.569 1.00 0.00 H new ATOM 0 HB2 PRO A 54 60.304 -0.736 -14.907 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.702 -1.423 -15.094 1.00 0.00 H new ATOM 0 HG2 PRO A 54 60.170 0.485 -16.906 1.00 0.00 H new ATOM 0 HG3 PRO A 54 59.198 -0.910 -17.332 1.00 0.00 H new ATOM 0 HD2 PRO A 54 58.215 1.618 -17.527 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.176 0.264 -17.127 1.00 0.00 H new ATOM 837 N GLU A 55 60.359 2.414 -14.713 1.00 0.00 N ATOM 838 CA GLU A 55 61.429 3.346 -14.232 1.00 0.00 C ATOM 839 C GLU A 55 60.866 4.333 -13.193 1.00 0.00 C ATOM 840 O GLU A 55 61.594 4.843 -12.363 1.00 0.00 O ATOM 841 CB GLU A 55 61.924 4.084 -15.485 1.00 0.00 C ATOM 842 CG GLU A 55 60.796 4.946 -16.064 1.00 0.00 C ATOM 843 CD GLU A 55 60.363 4.393 -17.425 1.00 0.00 C ATOM 844 OE1 GLU A 55 59.955 3.243 -17.474 1.00 0.00 O ATOM 845 OE2 GLU A 55 60.439 5.130 -18.393 1.00 0.00 O ATOM 0 H GLU A 55 60.126 2.499 -15.702 1.00 0.00 H new ATOM 0 HA GLU A 55 62.240 2.811 -13.738 1.00 0.00 H new ATOM 0 HB2 GLU A 55 62.780 4.711 -15.234 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.263 3.365 -16.231 1.00 0.00 H new ATOM 0 HG2 GLU A 55 59.948 4.957 -15.380 1.00 0.00 H new ATOM 0 HG3 GLU A 55 61.133 5.977 -16.171 1.00 0.00 H new ATOM 852 N GLU A 56 59.575 4.595 -13.221 1.00 0.00 N ATOM 853 CA GLU A 56 58.976 5.538 -12.223 1.00 0.00 C ATOM 854 C GLU A 56 59.082 4.956 -10.806 1.00 0.00 C ATOM 855 O GLU A 56 59.105 5.685 -9.833 1.00 0.00 O ATOM 856 CB GLU A 56 57.507 5.693 -12.632 1.00 0.00 C ATOM 857 CG GLU A 56 56.923 6.945 -11.965 1.00 0.00 C ATOM 858 CD GLU A 56 55.423 7.038 -12.250 1.00 0.00 C ATOM 859 OE1 GLU A 56 54.670 6.340 -11.593 1.00 0.00 O ATOM 860 OE2 GLU A 56 55.052 7.812 -13.118 1.00 0.00 O ATOM 0 H GLU A 56 58.916 4.197 -13.890 1.00 0.00 H new ATOM 0 HA GLU A 56 59.494 6.497 -12.212 1.00 0.00 H new ATOM 0 HB2 GLU A 56 57.426 5.774 -13.716 1.00 0.00 H new ATOM 0 HB3 GLU A 56 56.940 4.811 -12.335 1.00 0.00 H new ATOM 0 HG2 GLU A 56 57.096 6.908 -10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 56 57.428 7.836 -12.339 1.00 0.00 H new ATOM 867 N LEU A 57 59.156 3.650 -10.679 1.00 0.00 N ATOM 868 CA LEU A 57 59.275 3.036 -9.320 1.00 0.00 C ATOM 869 C LEU A 57 60.753 2.796 -8.974 1.00 0.00 C ATOM 870 O LEU A 57 61.101 2.635 -7.822 1.00 0.00 O ATOM 871 CB LEU A 57 58.514 1.700 -9.366 1.00 0.00 C ATOM 872 CG LEU A 57 57.291 1.786 -10.295 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.610 0.418 -10.369 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.296 2.822 -9.756 1.00 0.00 C ATOM 0 H LEU A 57 59.139 2.988 -11.455 1.00 0.00 H new ATOM 0 HA LEU A 57 58.860 3.694 -8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.181 0.910 -9.712 1.00 0.00 H new ATOM 0 HB3 LEU A 57 58.192 1.428 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 57 57.619 2.087 -11.290 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.743 0.478 -11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.313 -0.318 -10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 57 56.288 0.117 -9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.433 2.877 -10.419 1.00 0.00 H new ATOM 0 HD22 LEU A 57 55.969 2.528 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 57 56.778 3.798 -9.706 1.00 0.00 H new ATOM 886 N GLN A 58 61.629 2.775 -9.958 1.00 0.00 N ATOM 887 CA GLN A 58 63.082 2.552 -9.663 1.00 0.00 C ATOM 888 C GLN A 58 63.602 3.653 -8.733 1.00 0.00 C ATOM 889 O GLN A 58 64.358 3.390 -7.818 1.00 0.00 O ATOM 890 CB GLN A 58 63.797 2.613 -11.018 1.00 0.00 C ATOM 891 CG GLN A 58 64.164 1.198 -11.479 1.00 0.00 C ATOM 892 CD GLN A 58 64.967 0.481 -10.388 1.00 0.00 C ATOM 893 OE1 GLN A 58 64.451 -0.381 -9.708 1.00 0.00 O ATOM 894 NE2 GLN A 58 66.214 0.802 -10.188 1.00 0.00 N ATOM 0 H GLN A 58 61.400 2.902 -10.944 1.00 0.00 H new ATOM 0 HA GLN A 58 63.254 1.598 -9.165 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.154 3.090 -11.757 1.00 0.00 H new ATOM 0 HB3 GLN A 58 64.697 3.223 -10.937 1.00 0.00 H new ATOM 0 HG2 GLN A 58 63.259 0.634 -11.705 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.747 1.246 -12.399 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.652 1.526 -10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.752 0.329 -9.462 1.00 0.00 H new ATOM 903 N GLU A 59 63.183 4.882 -8.943 1.00 0.00 N ATOM 904 CA GLU A 59 63.638 5.990 -8.040 1.00 0.00 C ATOM 905 C GLU A 59 63.205 5.684 -6.600 1.00 0.00 C ATOM 906 O GLU A 59 63.867 6.059 -5.655 1.00 0.00 O ATOM 907 CB GLU A 59 62.974 7.275 -8.558 1.00 0.00 C ATOM 908 CG GLU A 59 61.450 7.113 -8.586 1.00 0.00 C ATOM 909 CD GLU A 59 60.801 8.104 -7.615 1.00 0.00 C ATOM 910 OE1 GLU A 59 60.644 7.757 -6.457 1.00 0.00 O ATOM 911 OE2 GLU A 59 60.469 9.195 -8.047 1.00 0.00 O ATOM 0 H GLU A 59 62.552 5.163 -9.693 1.00 0.00 H new ATOM 0 HA GLU A 59 64.723 6.098 -8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 59 63.245 8.115 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 59 63.341 7.504 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 59 61.076 7.283 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 59 61.179 6.093 -8.313 1.00 0.00 H new ATOM 918 N MET A 60 62.113 4.972 -6.436 1.00 0.00 N ATOM 919 CA MET A 60 61.644 4.596 -5.069 1.00 0.00 C ATOM 920 C MET A 60 62.564 3.508 -4.489 1.00 0.00 C ATOM 921 O MET A 60 62.623 3.309 -3.291 1.00 0.00 O ATOM 922 CB MET A 60 60.224 4.047 -5.270 1.00 0.00 C ATOM 923 CG MET A 60 59.195 5.127 -4.924 1.00 0.00 C ATOM 924 SD MET A 60 58.030 5.319 -6.298 1.00 0.00 S ATOM 925 CE MET A 60 57.331 3.649 -6.254 1.00 0.00 C ATOM 0 H MET A 60 61.525 4.635 -7.198 1.00 0.00 H new ATOM 0 HA MET A 60 61.657 5.437 -4.376 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.092 3.724 -6.303 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.071 3.171 -4.640 1.00 0.00 H new ATOM 0 HG2 MET A 60 58.659 4.855 -4.015 1.00 0.00 H new ATOM 0 HG3 MET A 60 59.699 6.073 -4.726 1.00 0.00 H new ATOM 0 HE1 MET A 60 56.430 3.615 -6.867 1.00 0.00 H new ATOM 0 HE2 MET A 60 58.061 2.939 -6.643 1.00 0.00 H new ATOM 0 HE3 MET A 60 57.081 3.386 -5.226 1.00 0.00 H new ATOM 935 N ILE A 61 63.281 2.805 -5.339 1.00 0.00 N ATOM 936 CA ILE A 61 64.203 1.728 -4.860 1.00 0.00 C ATOM 937 C ILE A 61 65.563 2.321 -4.468 1.00 0.00 C ATOM 938 O ILE A 61 66.009 2.180 -3.348 1.00 0.00 O ATOM 939 CB ILE A 61 64.388 0.777 -6.057 1.00 0.00 C ATOM 940 CG1 ILE A 61 63.027 0.328 -6.620 1.00 0.00 C ATOM 941 CG2 ILE A 61 65.191 -0.451 -5.617 1.00 0.00 C ATOM 942 CD1 ILE A 61 62.129 -0.208 -5.500 1.00 0.00 C ATOM 0 H ILE A 61 63.264 2.935 -6.351 1.00 0.00 H new ATOM 0 HA ILE A 61 63.797 1.220 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 61 64.926 1.310 -6.841 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.538 1.167 -7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.177 -0.444 -7.374 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.321 -1.123 -6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 61 66.168 -0.135 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 61 64.656 -0.970 -4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 61 61.172 -0.520 -5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.612 -1.061 -5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 61 61.963 0.575 -4.760 1.00 0.00 H new ATOM 954 N ASP A 62 66.227 2.962 -5.399 1.00 0.00 N ATOM 955 CA ASP A 62 67.580 3.549 -5.119 1.00 0.00 C ATOM 956 C ASP A 62 67.535 4.597 -3.994 1.00 0.00 C ATOM 957 O ASP A 62 68.482 4.735 -3.243 1.00 0.00 O ATOM 958 CB ASP A 62 68.008 4.200 -6.437 1.00 0.00 C ATOM 959 CG ASP A 62 68.203 3.121 -7.506 1.00 0.00 C ATOM 960 OD1 ASP A 62 69.215 2.443 -7.459 1.00 0.00 O ATOM 961 OD2 ASP A 62 67.333 2.991 -8.352 1.00 0.00 O ATOM 0 H ASP A 62 65.888 3.106 -6.350 1.00 0.00 H new ATOM 0 HA ASP A 62 68.277 2.783 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 62 67.253 4.916 -6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.934 4.756 -6.295 1.00 0.00 H new ATOM 966 N GLU A 63 66.458 5.340 -3.874 1.00 0.00 N ATOM 967 CA GLU A 63 66.376 6.385 -2.795 1.00 0.00 C ATOM 968 C GLU A 63 66.602 5.762 -1.409 1.00 0.00 C ATOM 969 O GLU A 63 67.298 6.316 -0.579 1.00 0.00 O ATOM 970 CB GLU A 63 64.962 6.966 -2.896 1.00 0.00 C ATOM 971 CG GLU A 63 65.032 8.498 -2.897 1.00 0.00 C ATOM 972 CD GLU A 63 65.019 9.016 -1.458 1.00 0.00 C ATOM 973 OE1 GLU A 63 63.969 8.965 -0.839 1.00 0.00 O ATOM 974 OE2 GLU A 63 66.060 9.455 -0.998 1.00 0.00 O ATOM 0 H GLU A 63 65.635 5.270 -4.472 1.00 0.00 H new ATOM 0 HA GLU A 63 67.142 7.150 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 63 64.478 6.614 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.356 6.620 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 63 65.938 8.830 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 63 64.187 8.910 -3.450 1.00 0.00 H new ATOM 981 N VAL A 64 66.022 4.615 -1.155 1.00 0.00 N ATOM 982 CA VAL A 64 66.205 3.952 0.179 1.00 0.00 C ATOM 983 C VAL A 64 67.264 2.839 0.107 1.00 0.00 C ATOM 984 O VAL A 64 67.779 2.410 1.120 1.00 0.00 O ATOM 985 CB VAL A 64 64.834 3.364 0.544 1.00 0.00 C ATOM 986 CG1 VAL A 64 63.804 4.491 0.651 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.385 2.364 -0.529 1.00 0.00 C ATOM 0 H VAL A 64 65.429 4.107 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 64 66.554 4.664 0.927 1.00 0.00 H new ATOM 0 HB VAL A 64 64.915 2.848 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 64 62.832 4.072 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.113 5.195 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 64 63.732 5.010 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.412 1.954 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.311 2.871 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 64 65.113 1.555 -0.600 1.00 0.00 H new ATOM 997 N ASP A 65 67.585 2.367 -1.076 1.00 0.00 N ATOM 998 CA ASP A 65 68.602 1.278 -1.205 1.00 0.00 C ATOM 999 C ASP A 65 70.000 1.798 -0.827 1.00 0.00 C ATOM 1000 O ASP A 65 70.412 1.688 0.311 1.00 0.00 O ATOM 1001 CB ASP A 65 68.532 0.846 -2.678 1.00 0.00 C ATOM 1002 CG ASP A 65 69.500 -0.310 -2.932 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.118 -1.441 -2.684 1.00 0.00 O ATOM 1004 OD2 ASP A 65 70.604 -0.046 -3.377 1.00 0.00 O ATOM 0 H ASP A 65 67.185 2.690 -1.957 1.00 0.00 H new ATOM 0 HA ASP A 65 68.407 0.440 -0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.516 0.541 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.781 1.688 -3.324 1.00 0.00 H new ATOM 1009 N GLU A 66 70.728 2.365 -1.768 1.00 0.00 N ATOM 1010 CA GLU A 66 72.101 2.893 -1.466 1.00 0.00 C ATOM 1011 C GLU A 66 72.941 1.853 -0.697 1.00 0.00 C ATOM 1012 O GLU A 66 73.760 2.203 0.133 1.00 0.00 O ATOM 1013 CB GLU A 66 71.861 4.142 -0.608 1.00 0.00 C ATOM 1014 CG GLU A 66 71.517 5.330 -1.515 1.00 0.00 C ATOM 1015 CD GLU A 66 72.803 5.943 -2.072 1.00 0.00 C ATOM 1016 OE1 GLU A 66 73.358 6.807 -1.413 1.00 0.00 O ATOM 1017 OE2 GLU A 66 73.211 5.539 -3.149 1.00 0.00 O ATOM 0 H GLU A 66 70.427 2.484 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 66 72.659 3.118 -2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 66 71.049 3.962 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 66 72.750 4.367 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 66 70.875 5.002 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 66 70.959 6.079 -0.953 1.00 0.00 H new ATOM 1024 N ASP A 67 72.744 0.581 -0.962 1.00 0.00 N ATOM 1025 CA ASP A 67 73.530 -0.468 -0.235 1.00 0.00 C ATOM 1026 C ASP A 67 74.422 -1.280 -1.199 1.00 0.00 C ATOM 1027 O ASP A 67 75.361 -1.928 -0.775 1.00 0.00 O ATOM 1028 CB ASP A 67 72.472 -1.354 0.454 1.00 0.00 C ATOM 1029 CG ASP A 67 71.993 -2.477 -0.474 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.620 -2.184 -1.594 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.987 -3.613 -0.038 1.00 0.00 O ATOM 0 H ASP A 67 72.076 0.226 -1.647 1.00 0.00 H new ATOM 0 HA ASP A 67 74.220 -0.031 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 67 72.892 -1.785 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 67 71.622 -0.741 0.755 1.00 0.00 H new ATOM 1036 N GLY A 68 74.146 -1.249 -2.484 1.00 0.00 N ATOM 1037 CA GLY A 68 74.990 -2.019 -3.453 1.00 0.00 C ATOM 1038 C GLY A 68 74.124 -2.995 -4.259 1.00 0.00 C ATOM 1039 O GLY A 68 74.430 -3.311 -5.392 1.00 0.00 O ATOM 0 H GLY A 68 73.376 -0.726 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 68 75.499 -1.331 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.763 -2.568 -2.915 1.00 0.00 H new ATOM 1043 N SER A 69 73.051 -3.483 -3.683 1.00 0.00 N ATOM 1044 CA SER A 69 72.167 -4.448 -4.414 1.00 0.00 C ATOM 1045 C SER A 69 71.250 -3.710 -5.404 1.00 0.00 C ATOM 1046 O SER A 69 70.959 -4.210 -6.473 1.00 0.00 O ATOM 1047 CB SER A 69 71.355 -5.161 -3.317 1.00 0.00 C ATOM 1048 OG SER A 69 70.051 -4.591 -3.216 1.00 0.00 O ATOM 0 H SER A 69 72.748 -3.254 -2.736 1.00 0.00 H new ATOM 0 HA SER A 69 72.740 -5.157 -5.011 1.00 0.00 H new ATOM 0 HB2 SER A 69 71.278 -6.224 -3.545 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.871 -5.077 -2.361 1.00 0.00 H new ATOM 0 HG SER A 69 69.545 -5.054 -2.516 1.00 0.00 H new ATOM 1054 N GLY A 70 70.795 -2.529 -5.060 1.00 0.00 N ATOM 1055 CA GLY A 70 69.899 -1.765 -5.986 1.00 0.00 C ATOM 1056 C GLY A 70 68.476 -2.347 -5.956 1.00 0.00 C ATOM 1057 O GLY A 70 67.741 -2.247 -6.919 1.00 0.00 O ATOM 0 H GLY A 70 71.005 -2.061 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 70 69.875 -0.715 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 70 70.294 -1.806 -7.001 1.00 0.00 H new ATOM 1061 N THR A 71 68.079 -2.941 -4.856 1.00 0.00 N ATOM 1062 CA THR A 71 66.700 -3.520 -4.753 1.00 0.00 C ATOM 1063 C THR A 71 66.171 -3.327 -3.329 1.00 0.00 C ATOM 1064 O THR A 71 66.905 -3.467 -2.368 1.00 0.00 O ATOM 1065 CB THR A 71 66.832 -5.017 -5.071 1.00 0.00 C ATOM 1066 OG1 THR A 71 67.781 -5.218 -6.112 1.00 0.00 O ATOM 1067 CG2 THR A 71 65.471 -5.562 -5.511 1.00 0.00 C ATOM 0 H THR A 71 68.653 -3.051 -4.020 1.00 0.00 H new ATOM 0 HA THR A 71 66.007 -3.035 -5.440 1.00 0.00 H new ATOM 0 HB THR A 71 67.171 -5.542 -4.178 1.00 0.00 H new ATOM 0 HG1 THR A 71 67.857 -6.176 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 71 65.561 -6.624 -5.738 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.746 -5.422 -4.709 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.136 -5.028 -6.400 1.00 0.00 H new ATOM 1075 N VAL A 72 64.907 -3.009 -3.187 1.00 0.00 N ATOM 1076 CA VAL A 72 64.334 -2.798 -1.820 1.00 0.00 C ATOM 1077 C VAL A 72 64.111 -4.141 -1.111 1.00 0.00 C ATOM 1078 O VAL A 72 63.425 -5.012 -1.610 1.00 0.00 O ATOM 1079 CB VAL A 72 62.999 -2.075 -2.049 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.135 -2.155 -0.787 1.00 0.00 C ATOM 1081 CG2 VAL A 72 63.269 -0.605 -2.374 1.00 0.00 C ATOM 0 H VAL A 72 64.249 -2.887 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 72 65.004 -2.220 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 72 62.474 -2.552 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.190 -1.639 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 72 61.939 -3.200 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.660 -1.683 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 72 62.323 -0.089 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 72 63.798 -0.140 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 72 63.879 -0.538 -3.275 1.00 0.00 H new ATOM 1091 N ASP A 73 64.677 -4.301 0.058 1.00 0.00 N ATOM 1092 CA ASP A 73 64.495 -5.576 0.823 1.00 0.00 C ATOM 1093 C ASP A 73 63.644 -5.320 2.080 1.00 0.00 C ATOM 1094 O ASP A 73 62.937 -4.333 2.165 1.00 0.00 O ATOM 1095 CB ASP A 73 65.915 -6.058 1.183 1.00 0.00 C ATOM 1096 CG ASP A 73 66.755 -4.910 1.748 1.00 0.00 C ATOM 1097 OD1 ASP A 73 66.492 -4.502 2.867 1.00 0.00 O ATOM 1098 OD2 ASP A 73 67.654 -4.466 1.049 1.00 0.00 O ATOM 0 H ASP A 73 65.260 -3.602 0.519 1.00 0.00 H new ATOM 0 HA ASP A 73 63.969 -6.334 0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 73 65.855 -6.864 1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.400 -6.467 0.297 1.00 0.00 H new ATOM 1103 N PHE A 74 63.689 -6.206 3.047 1.00 0.00 N ATOM 1104 CA PHE A 74 62.862 -6.021 4.285 1.00 0.00 C ATOM 1105 C PHE A 74 63.336 -4.807 5.097 1.00 0.00 C ATOM 1106 O PHE A 74 62.540 -3.987 5.513 1.00 0.00 O ATOM 1107 CB PHE A 74 63.045 -7.318 5.083 1.00 0.00 C ATOM 1108 CG PHE A 74 62.346 -7.210 6.423 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.041 -6.705 6.501 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.008 -7.618 7.587 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.401 -6.609 7.742 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.366 -7.523 8.828 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.064 -7.017 8.905 1.00 0.00 C ATOM 0 H PHE A 74 64.262 -7.050 3.033 1.00 0.00 H new ATOM 0 HA PHE A 74 61.816 -5.830 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 74 62.641 -8.160 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.107 -7.515 5.233 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.529 -6.390 5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.014 -8.006 7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.395 -6.220 7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 74 62.876 -7.840 9.726 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.570 -6.941 9.863 1.00 0.00 H new ATOM 1123 N ASP A 75 64.617 -4.687 5.334 1.00 0.00 N ATOM 1124 CA ASP A 75 65.123 -3.525 6.128 1.00 0.00 C ATOM 1125 C ASP A 75 64.950 -2.217 5.343 1.00 0.00 C ATOM 1126 O ASP A 75 64.526 -1.216 5.891 1.00 0.00 O ATOM 1127 CB ASP A 75 66.596 -3.834 6.391 1.00 0.00 C ATOM 1128 CG ASP A 75 66.738 -4.418 7.798 1.00 0.00 C ATOM 1129 OD1 ASP A 75 66.505 -5.605 7.953 1.00 0.00 O ATOM 1130 OD2 ASP A 75 67.060 -3.664 8.700 1.00 0.00 O ATOM 0 H ASP A 75 65.333 -5.340 5.014 1.00 0.00 H new ATOM 0 HA ASP A 75 64.574 -3.389 7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 75 66.971 -4.541 5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.194 -2.927 6.297 1.00 0.00 H new ATOM 1135 N GLU A 76 65.248 -2.218 4.066 1.00 0.00 N ATOM 1136 CA GLU A 76 65.067 -0.970 3.258 1.00 0.00 C ATOM 1137 C GLU A 76 63.575 -0.606 3.192 1.00 0.00 C ATOM 1138 O GLU A 76 63.215 0.554 3.125 1.00 0.00 O ATOM 1139 CB GLU A 76 65.615 -1.298 1.869 1.00 0.00 C ATOM 1140 CG GLU A 76 66.972 -0.611 1.684 1.00 0.00 C ATOM 1141 CD GLU A 76 67.823 -1.401 0.688 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.330 -1.684 -0.389 1.00 0.00 O ATOM 1143 OE2 GLU A 76 68.957 -1.707 1.016 1.00 0.00 O ATOM 0 H GLU A 76 65.606 -3.022 3.551 1.00 0.00 H new ATOM 0 HA GLU A 76 65.585 -0.115 3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.722 -2.377 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 76 64.917 -0.963 1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 76 66.828 0.408 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.488 -0.541 2.642 1.00 0.00 H new ATOM 1150 N PHE A 77 62.707 -1.595 3.237 1.00 0.00 N ATOM 1151 CA PHE A 77 61.232 -1.323 3.210 1.00 0.00 C ATOM 1152 C PHE A 77 60.844 -0.430 4.401 1.00 0.00 C ATOM 1153 O PHE A 77 59.895 0.327 4.337 1.00 0.00 O ATOM 1154 CB PHE A 77 60.583 -2.708 3.328 1.00 0.00 C ATOM 1155 CG PHE A 77 59.074 -2.588 3.305 1.00 0.00 C ATOM 1156 CD1 PHE A 77 58.416 -2.148 2.150 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.335 -2.930 4.443 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.019 -2.049 2.136 1.00 0.00 C ATOM 1159 CE2 PHE A 77 56.938 -2.830 4.428 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.281 -2.391 3.276 1.00 0.00 C ATOM 0 H PHE A 77 62.960 -2.582 3.291 1.00 0.00 H new ATOM 0 HA PHE A 77 60.912 -0.800 2.308 1.00 0.00 H new ATOM 0 HB2 PHE A 77 60.916 -3.344 2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 77 60.902 -3.188 4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 77 58.985 -1.885 1.271 1.00 0.00 H new ATOM 0 HD2 PHE A 77 58.842 -3.271 5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 77 56.511 -1.709 1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 77 56.369 -3.092 5.307 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.204 -2.315 3.265 1.00 0.00 H new ATOM 1170 N LEU A 78 61.584 -0.508 5.483 1.00 0.00 N ATOM 1171 CA LEU A 78 61.281 0.339 6.677 1.00 0.00 C ATOM 1172 C LEU A 78 61.769 1.779 6.446 1.00 0.00 C ATOM 1173 O LEU A 78 61.144 2.726 6.883 1.00 0.00 O ATOM 1174 CB LEU A 78 62.052 -0.310 7.835 1.00 0.00 C ATOM 1175 CG LEU A 78 61.397 -1.642 8.214 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.430 -2.545 8.889 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.240 -1.387 9.181 1.00 0.00 C ATOM 0 H LEU A 78 62.389 -1.126 5.588 1.00 0.00 H new ATOM 0 HA LEU A 78 60.212 0.394 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.090 -0.474 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.063 0.358 8.696 1.00 0.00 H new ATOM 0 HG LEU A 78 61.020 -2.127 7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 78 61.964 -3.493 9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 78 63.256 -2.729 8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 78 62.807 -2.058 9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 78 59.775 -2.335 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 78 60.618 -0.900 10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 78 59.502 -0.743 8.703 1.00 0.00 H new ATOM 1189 N VAL A 79 62.877 1.948 5.759 1.00 0.00 N ATOM 1190 CA VAL A 79 63.407 3.328 5.493 1.00 0.00 C ATOM 1191 C VAL A 79 62.346 4.176 4.778 1.00 0.00 C ATOM 1192 O VAL A 79 61.961 5.225 5.257 1.00 0.00 O ATOM 1193 CB VAL A 79 64.636 3.129 4.596 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.129 4.486 4.081 1.00 0.00 C ATOM 1195 CG2 VAL A 79 65.755 2.458 5.399 1.00 0.00 C ATOM 0 H VAL A 79 63.438 1.190 5.371 1.00 0.00 H new ATOM 0 HA VAL A 79 63.664 3.851 6.414 1.00 0.00 H new ATOM 0 HB VAL A 79 64.361 2.498 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.002 4.339 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 79 64.337 4.966 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 79 65.399 5.120 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 79 66.627 2.317 4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 79 66.024 3.089 6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.412 1.489 5.762 1.00 0.00 H new ATOM 1205 N MET A 80 61.869 3.727 3.638 1.00 0.00 N ATOM 1206 CA MET A 80 60.823 4.513 2.901 1.00 0.00 C ATOM 1207 C MET A 80 59.594 4.742 3.797 1.00 0.00 C ATOM 1208 O MET A 80 58.965 5.781 3.738 1.00 0.00 O ATOM 1209 CB MET A 80 60.453 3.689 1.651 1.00 0.00 C ATOM 1210 CG MET A 80 60.181 2.222 2.013 1.00 0.00 C ATOM 1211 SD MET A 80 61.078 1.148 0.862 1.00 0.00 S ATOM 1212 CE MET A 80 59.644 0.297 0.159 1.00 0.00 C ATOM 0 H MET A 80 62.156 2.857 3.189 1.00 0.00 H new ATOM 0 HA MET A 80 61.194 5.498 2.616 1.00 0.00 H new ATOM 0 HB2 MET A 80 59.571 4.119 1.177 1.00 0.00 H new ATOM 0 HB3 MET A 80 61.263 3.743 0.924 1.00 0.00 H new ATOM 0 HG2 MET A 80 60.498 2.023 3.037 1.00 0.00 H new ATOM 0 HG3 MET A 80 59.112 2.015 1.964 1.00 0.00 H new ATOM 0 HE1 MET A 80 59.839 -0.775 0.121 1.00 0.00 H new ATOM 0 HE2 MET A 80 58.769 0.485 0.781 1.00 0.00 H new ATOM 0 HE3 MET A 80 59.459 0.668 -0.849 1.00 0.00 H new ATOM 1222 N MET A 81 59.261 3.788 4.636 1.00 0.00 N ATOM 1223 CA MET A 81 58.085 3.962 5.548 1.00 0.00 C ATOM 1224 C MET A 81 58.359 5.094 6.552 1.00 0.00 C ATOM 1225 O MET A 81 57.511 5.931 6.800 1.00 0.00 O ATOM 1226 CB MET A 81 57.932 2.620 6.275 1.00 0.00 C ATOM 1227 CG MET A 81 57.260 1.602 5.348 1.00 0.00 C ATOM 1228 SD MET A 81 55.515 2.033 5.136 1.00 0.00 S ATOM 1229 CE MET A 81 55.246 1.152 3.578 1.00 0.00 C ATOM 0 H MET A 81 59.752 2.899 4.728 1.00 0.00 H new ATOM 0 HA MET A 81 57.179 4.229 5.004 1.00 0.00 H new ATOM 0 HB2 MET A 81 58.909 2.252 6.587 1.00 0.00 H new ATOM 0 HB3 MET A 81 57.337 2.751 7.179 1.00 0.00 H new ATOM 0 HG2 MET A 81 57.762 1.589 4.381 1.00 0.00 H new ATOM 0 HG3 MET A 81 57.349 0.600 5.767 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.130 1.872 2.768 1.00 0.00 H new ATOM 0 HE2 MET A 81 56.101 0.509 3.372 1.00 0.00 H new ATOM 0 HE3 MET A 81 54.345 0.544 3.655 1.00 0.00 H new ATOM 1239 N VAL A 82 59.545 5.130 7.120 1.00 0.00 N ATOM 1240 CA VAL A 82 59.892 6.215 8.100 1.00 0.00 C ATOM 1241 C VAL A 82 59.880 7.583 7.401 1.00 0.00 C ATOM 1242 O VAL A 82 59.512 8.584 7.988 1.00 0.00 O ATOM 1243 CB VAL A 82 61.306 5.872 8.600 1.00 0.00 C ATOM 1244 CG1 VAL A 82 61.875 7.038 9.415 1.00 0.00 C ATOM 1245 CG2 VAL A 82 61.246 4.623 9.482 1.00 0.00 C ATOM 0 H VAL A 82 60.289 4.454 6.947 1.00 0.00 H new ATOM 0 HA VAL A 82 59.178 6.272 8.921 1.00 0.00 H new ATOM 0 HB VAL A 82 61.950 5.688 7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 82 62.876 6.784 9.764 1.00 0.00 H new ATOM 0 HG12 VAL A 82 61.924 7.929 8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 82 61.230 7.231 10.272 1.00 0.00 H new ATOM 0 HG21 VAL A 82 62.248 4.379 9.837 1.00 0.00 H new ATOM 0 HG22 VAL A 82 60.595 4.811 10.336 1.00 0.00 H new ATOM 0 HG23 VAL A 82 60.853 3.787 8.903 1.00 0.00 H new ATOM 1255 N ARG A 83 60.277 7.627 6.153 1.00 0.00 N ATOM 1256 CA ARG A 83 60.290 8.924 5.405 1.00 0.00 C ATOM 1257 C ARG A 83 58.859 9.438 5.202 1.00 0.00 C ATOM 1258 O ARG A 83 58.579 10.605 5.400 1.00 0.00 O ATOM 1259 CB ARG A 83 60.949 8.597 4.064 1.00 0.00 C ATOM 1260 CG ARG A 83 62.451 8.405 4.276 1.00 0.00 C ATOM 1261 CD ARG A 83 63.078 7.823 3.010 1.00 0.00 C ATOM 1262 NE ARG A 83 64.533 8.122 3.135 1.00 0.00 N ATOM 1263 CZ ARG A 83 65.202 8.554 2.105 1.00 0.00 C ATOM 1264 NH1 ARG A 83 65.175 9.820 1.795 1.00 0.00 N ATOM 1265 NH2 ARG A 83 65.897 7.721 1.388 1.00 0.00 N ATOM 0 H ARG A 83 60.594 6.818 5.618 1.00 0.00 H new ATOM 0 HA ARG A 83 60.827 9.707 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 83 60.511 7.693 3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 83 60.770 9.402 3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 83 62.919 9.359 4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 83 62.627 7.739 5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 83 62.899 6.750 2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 83 62.656 8.278 2.114 1.00 0.00 H new ATOM 0 HE ARG A 83 65.005 7.988 4.029 1.00 0.00 H new ATOM 0 HH11 ARG A 83 64.630 10.472 2.359 1.00 0.00 H new ATOM 0 HH12 ARG A 83 65.699 10.159 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 83 65.917 6.731 1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 83 66.422 8.058 0.581 1.00 0.00 H new ATOM 1279 N CYS A 84 57.951 8.572 4.820 1.00 0.00 N ATOM 1280 CA CYS A 84 56.531 9.003 4.615 1.00 0.00 C ATOM 1281 C CYS A 84 55.867 9.283 5.969 1.00 0.00 C ATOM 1282 O CYS A 84 55.110 10.224 6.116 1.00 0.00 O ATOM 1283 CB CYS A 84 55.848 7.823 3.916 1.00 0.00 C ATOM 1284 SG CYS A 84 56.591 7.574 2.285 1.00 0.00 S ATOM 0 H CYS A 84 58.132 7.584 4.641 1.00 0.00 H new ATOM 0 HA CYS A 84 56.459 9.918 4.026 1.00 0.00 H new ATOM 0 HB2 CYS A 84 55.954 6.920 4.517 1.00 0.00 H new ATOM 0 HB3 CYS A 84 54.780 8.015 3.815 1.00 0.00 H new ATOM 0 HG CYS A 84 57.651 6.830 2.400 1.00 0.00 H new ATOM 1290 N MET A 85 56.154 8.474 6.959 1.00 0.00 N ATOM 1291 CA MET A 85 55.555 8.686 8.315 1.00 0.00 C ATOM 1292 C MET A 85 56.250 9.853 9.044 1.00 0.00 C ATOM 1293 O MET A 85 55.755 10.341 10.042 1.00 0.00 O ATOM 1294 CB MET A 85 55.797 7.364 9.053 1.00 0.00 C ATOM 1295 CG MET A 85 55.152 7.411 10.442 1.00 0.00 C ATOM 1296 SD MET A 85 55.791 6.049 11.451 1.00 0.00 S ATOM 1297 CE MET A 85 57.532 6.550 11.450 1.00 0.00 C ATOM 0 H MET A 85 56.780 7.672 6.887 1.00 0.00 H new ATOM 0 HA MET A 85 54.497 8.945 8.264 1.00 0.00 H new ATOM 0 HB2 MET A 85 55.381 6.536 8.478 1.00 0.00 H new ATOM 0 HB3 MET A 85 56.868 7.181 9.147 1.00 0.00 H new ATOM 0 HG2 MET A 85 55.367 8.366 10.922 1.00 0.00 H new ATOM 0 HG3 MET A 85 54.068 7.335 10.354 1.00 0.00 H new ATOM 0 HE1 MET A 85 58.106 5.870 10.820 1.00 0.00 H new ATOM 0 HE2 MET A 85 57.618 7.565 11.062 1.00 0.00 H new ATOM 0 HE3 MET A 85 57.921 6.516 12.468 1.00 0.00 H new ATOM 1475 N SER B 149 52.208 7.240 0.572 1.00 0.00 N ATOM 1476 CA SER B 149 52.586 7.377 2.014 1.00 0.00 C ATOM 1477 C SER B 149 52.618 5.999 2.694 1.00 0.00 C ATOM 1478 O SER B 149 52.410 4.978 2.062 1.00 0.00 O ATOM 1479 CB SER B 149 51.498 8.258 2.632 1.00 0.00 C ATOM 1480 OG SER B 149 50.231 7.630 2.470 1.00 0.00 O ATOM 0 HA SER B 149 53.578 7.811 2.137 1.00 0.00 H new ATOM 0 HB2 SER B 149 51.703 8.420 3.690 1.00 0.00 H new ATOM 0 HB3 SER B 149 51.494 9.238 2.155 1.00 0.00 H new ATOM 0 HG SER B 149 49.778 7.578 3.338 1.00 0.00 H new ATOM 1486 N ALA B 150 52.877 5.963 3.978 1.00 0.00 N ATOM 1487 CA ALA B 150 52.924 4.652 4.701 1.00 0.00 C ATOM 1488 C ALA B 150 51.528 4.273 5.221 1.00 0.00 C ATOM 1489 O ALA B 150 51.093 3.145 5.078 1.00 0.00 O ATOM 1490 CB ALA B 150 53.895 4.873 5.866 1.00 0.00 C ATOM 0 H ALA B 150 53.058 6.783 4.557 1.00 0.00 H new ATOM 0 HA ALA B 150 53.246 3.838 4.052 1.00 0.00 H new ATOM 0 HB1 ALA B 150 53.983 3.954 6.445 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.874 5.151 5.476 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.519 5.671 6.506 1.00 0.00 H new ATOM 1496 N ASP B 151 50.828 5.208 5.820 1.00 0.00 N ATOM 1497 CA ASP B 151 49.455 4.915 6.356 1.00 0.00 C ATOM 1498 C ASP B 151 48.530 4.381 5.247 1.00 0.00 C ATOM 1499 O ASP B 151 47.773 3.453 5.463 1.00 0.00 O ATOM 1500 CB ASP B 151 48.935 6.256 6.907 1.00 0.00 C ATOM 1501 CG ASP B 151 48.884 7.313 5.796 1.00 0.00 C ATOM 1502 OD1 ASP B 151 49.935 7.814 5.430 1.00 0.00 O ATOM 1503 OD2 ASP B 151 47.795 7.602 5.331 1.00 0.00 O ATOM 0 H ASP B 151 51.148 6.166 5.962 1.00 0.00 H new ATOM 0 HA ASP B 151 49.481 4.145 7.127 1.00 0.00 H new ATOM 0 HB2 ASP B 151 47.941 6.120 7.332 1.00 0.00 H new ATOM 0 HB3 ASP B 151 49.583 6.599 7.714 1.00 0.00 H new ATOM 1508 N ALA B 152 48.589 4.952 4.067 1.00 0.00 N ATOM 1509 CA ALA B 152 47.716 4.471 2.949 1.00 0.00 C ATOM 1510 C ALA B 152 48.116 3.049 2.536 1.00 0.00 C ATOM 1511 O ALA B 152 47.272 2.199 2.318 1.00 0.00 O ATOM 1512 CB ALA B 152 47.958 5.455 1.801 1.00 0.00 C ATOM 0 H ALA B 152 49.204 5.730 3.830 1.00 0.00 H new ATOM 0 HA ALA B 152 46.665 4.433 3.235 1.00 0.00 H new ATOM 0 HB1 ALA B 152 47.351 5.168 0.942 1.00 0.00 H new ATOM 0 HB2 ALA B 152 47.684 6.461 2.120 1.00 0.00 H new ATOM 0 HB3 ALA B 152 49.012 5.437 1.523 1.00 0.00 H new ATOM 1518 N MET B 153 49.396 2.786 2.436 1.00 0.00 N ATOM 1519 CA MET B 153 49.856 1.416 2.048 1.00 0.00 C ATOM 1520 C MET B 153 49.425 0.399 3.110 1.00 0.00 C ATOM 1521 O MET B 153 48.867 -0.634 2.797 1.00 0.00 O ATOM 1522 CB MET B 153 51.383 1.510 1.971 1.00 0.00 C ATOM 1523 CG MET B 153 51.796 1.970 0.571 1.00 0.00 C ATOM 1524 SD MET B 153 51.290 0.726 -0.645 1.00 0.00 S ATOM 1525 CE MET B 153 51.199 1.823 -2.080 1.00 0.00 C ATOM 0 H MET B 153 50.142 3.460 2.606 1.00 0.00 H new ATOM 0 HA MET B 153 49.428 1.087 1.101 1.00 0.00 H new ATOM 0 HB2 MET B 153 51.753 2.211 2.720 1.00 0.00 H new ATOM 0 HB3 MET B 153 51.829 0.541 2.193 1.00 0.00 H new ATOM 0 HG2 MET B 153 51.333 2.929 0.340 1.00 0.00 H new ATOM 0 HG3 MET B 153 52.875 2.118 0.528 1.00 0.00 H new ATOM 0 HE1 MET B 153 51.481 1.272 -2.977 1.00 0.00 H new ATOM 0 HE2 MET B 153 50.181 2.197 -2.188 1.00 0.00 H new ATOM 0 HE3 MET B 153 51.880 2.662 -1.940 1.00 0.00 H new ATOM 1535 N MET B 154 49.669 0.695 4.365 1.00 0.00 N ATOM 1536 CA MET B 154 49.261 -0.246 5.457 1.00 0.00 C ATOM 1537 C MET B 154 47.739 -0.458 5.430 1.00 0.00 C ATOM 1538 O MET B 154 47.254 -1.550 5.662 1.00 0.00 O ATOM 1539 CB MET B 154 49.687 0.442 6.761 1.00 0.00 C ATOM 1540 CG MET B 154 51.205 0.328 6.935 1.00 0.00 C ATOM 1541 SD MET B 154 51.631 -1.358 7.441 1.00 0.00 S ATOM 1542 CE MET B 154 51.965 -0.997 9.182 1.00 0.00 C ATOM 0 H MET B 154 50.133 1.547 4.680 1.00 0.00 H new ATOM 0 HA MET B 154 49.722 -1.228 5.349 1.00 0.00 H new ATOM 0 HB2 MET B 154 49.391 1.491 6.743 1.00 0.00 H new ATOM 0 HB3 MET B 154 49.179 -0.018 7.609 1.00 0.00 H new ATOM 0 HG2 MET B 154 51.708 0.577 6.001 1.00 0.00 H new ATOM 0 HG3 MET B 154 51.550 1.042 7.683 1.00 0.00 H new ATOM 0 HE1 MET B 154 51.630 -1.832 9.797 1.00 0.00 H new ATOM 0 HE2 MET B 154 53.035 -0.848 9.324 1.00 0.00 H new ATOM 0 HE3 MET B 154 51.431 -0.093 9.475 1.00 0.00 H new ATOM 1552 N GLN B 155 46.989 0.578 5.139 1.00 0.00 N ATOM 1553 CA GLN B 155 45.496 0.450 5.086 1.00 0.00 C ATOM 1554 C GLN B 155 45.060 -0.398 3.881 1.00 0.00 C ATOM 1555 O GLN B 155 44.132 -1.179 3.971 1.00 0.00 O ATOM 1556 CB GLN B 155 44.975 1.884 4.935 1.00 0.00 C ATOM 1557 CG GLN B 155 44.230 2.303 6.207 1.00 0.00 C ATOM 1558 CD GLN B 155 42.831 2.808 5.843 1.00 0.00 C ATOM 1559 OE1 GLN B 155 42.520 3.964 6.038 1.00 0.00 O ATOM 1560 NE2 GLN B 155 41.966 1.984 5.318 1.00 0.00 N ATOM 0 H GLN B 155 47.347 1.511 4.935 1.00 0.00 H new ATOM 0 HA GLN B 155 45.105 -0.043 5.976 1.00 0.00 H new ATOM 0 HB2 GLN B 155 45.806 2.565 4.748 1.00 0.00 H new ATOM 0 HB3 GLN B 155 44.309 1.950 4.074 1.00 0.00 H new ATOM 0 HG2 GLN B 155 44.155 1.458 6.891 1.00 0.00 H new ATOM 0 HG3 GLN B 155 44.786 3.085 6.725 1.00 0.00 H new ATOM 0 HE21 GLN B 155 42.224 1.011 5.152 1.00 0.00 H new ATOM 0 HE22 GLN B 155 41.032 2.313 5.073 1.00 0.00 H new ATOM 1569 N ALA B 156 45.712 -0.244 2.755 1.00 0.00 N ATOM 1570 CA ALA B 156 45.327 -1.034 1.542 1.00 0.00 C ATOM 1571 C ALA B 156 45.818 -2.484 1.658 1.00 0.00 C ATOM 1572 O ALA B 156 45.090 -3.414 1.371 1.00 0.00 O ATOM 1573 CB ALA B 156 46.011 -0.326 0.369 1.00 0.00 C ATOM 0 H ALA B 156 46.496 0.395 2.622 1.00 0.00 H new ATOM 0 HA ALA B 156 44.245 -1.082 1.416 1.00 0.00 H new ATOM 0 HB1 ALA B 156 45.775 -0.848 -0.558 1.00 0.00 H new ATOM 0 HB2 ALA B 156 45.655 0.702 0.307 1.00 0.00 H new ATOM 0 HB3 ALA B 156 47.090 -0.328 0.522 1.00 0.00 H new ATOM 1579 N LEU B 157 47.047 -2.679 2.071 1.00 0.00 N ATOM 1580 CA LEU B 157 47.594 -4.069 2.202 1.00 0.00 C ATOM 1581 C LEU B 157 46.770 -4.897 3.200 1.00 0.00 C ATOM 1582 O LEU B 157 46.564 -6.080 3.007 1.00 0.00 O ATOM 1583 CB LEU B 157 49.029 -3.892 2.709 1.00 0.00 C ATOM 1584 CG LEU B 157 50.017 -4.325 1.623 1.00 0.00 C ATOM 1585 CD1 LEU B 157 49.960 -3.346 0.452 1.00 0.00 C ATOM 1586 CD2 LEU B 157 51.432 -4.336 2.203 1.00 0.00 C ATOM 0 H LEU B 157 47.697 -1.935 2.324 1.00 0.00 H new ATOM 0 HA LEU B 157 47.556 -4.604 1.253 1.00 0.00 H new ATOM 0 HB2 LEU B 157 49.204 -2.850 2.979 1.00 0.00 H new ATOM 0 HB3 LEU B 157 49.182 -4.485 3.611 1.00 0.00 H new ATOM 0 HG LEU B 157 49.753 -5.323 1.272 1.00 0.00 H new ATOM 0 HD11 LEU B 157 50.665 -3.659 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU B 157 48.952 -3.333 0.037 1.00 0.00 H new ATOM 0 HD13 LEU B 157 50.222 -2.347 0.800 1.00 0.00 H new ATOM 0 HD21 LEU B 157 52.139 -4.644 1.432 1.00 0.00 H new ATOM 0 HD22 LEU B 157 51.690 -3.336 2.553 1.00 0.00 H new ATOM 0 HD23 LEU B 157 51.478 -5.036 3.038 1.00 0.00 H new ATOM 1598 N LEU B 158 46.303 -4.290 4.264 1.00 0.00 N ATOM 1599 CA LEU B 158 45.497 -5.051 5.268 1.00 0.00 C ATOM 1600 C LEU B 158 44.213 -4.281 5.615 1.00 0.00 C ATOM 1601 O LEU B 158 43.937 -4.000 6.766 1.00 0.00 O ATOM 1602 CB LEU B 158 46.412 -5.175 6.492 1.00 0.00 C ATOM 1603 CG LEU B 158 47.333 -6.388 6.325 1.00 0.00 C ATOM 1604 CD1 LEU B 158 48.792 -5.938 6.410 1.00 0.00 C ATOM 1605 CD2 LEU B 158 47.046 -7.401 7.436 1.00 0.00 C ATOM 0 H LEU B 158 46.445 -3.303 4.480 1.00 0.00 H new ATOM 0 HA LEU B 158 45.182 -6.026 4.898 1.00 0.00 H new ATOM 0 HB2 LEU B 158 47.006 -4.268 6.608 1.00 0.00 H new ATOM 0 HB3 LEU B 158 45.813 -5.282 7.397 1.00 0.00 H new ATOM 0 HG LEU B 158 47.153 -6.850 5.355 1.00 0.00 H new ATOM 0 HD11 LEU B 158 49.447 -6.801 6.291 1.00 0.00 H new ATOM 0 HD12 LEU B 158 48.997 -5.216 5.620 1.00 0.00 H new ATOM 0 HD13 LEU B 158 48.974 -5.475 7.380 1.00 0.00 H new ATOM 0 HD21 LEU B 158 47.700 -8.265 7.319 1.00 0.00 H new ATOM 0 HD22 LEU B 158 47.227 -6.938 8.406 1.00 0.00 H new ATOM 0 HD23 LEU B 158 46.006 -7.723 7.375 1.00 0.00 H new