USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 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 -94:sc= 1.67 USER MOD Set 1.2: A 71 THR OG1 : rot 79:sc= 1.1 USER MOD Set 2.1: A 45 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 2.2: B 153 MET CE :methyl 176:sc= -0.0578 (180deg=-0.071) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -170:sc= 0.0239 USER MOD Single : A 16 GLN : amide:sc= -1.72 K(o=-1.7,f=-6.4!) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 1.15 (180deg=1.09) USER MOD Single : A 18 ASN : amide:sc= -0.101 K(o=-0.1,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.06) USER MOD Single : A 35 CYS SG : rot -8:sc= 0.252 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00278) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 153:sc= -0.166 (180deg=-0.737) USER MOD Single : A 50 GLN : amide:sc=-0.00694 X(o=-0.0069,f=-0.47) USER MOD Single : A 51 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.16) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 58 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.12) USER MOD Single : A 60 MET CE :methyl -173:sc=-0.00164 (180deg=-0.0463) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -127:sc= -0.323 (180deg=-2.54!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 150:sc= -0.192 (180deg=-1.13) USER MOD Single : B 149 SER OG : rot -128:sc= 0.931 USER MOD Single : B 154 MET CE :methyl 134:sc= -3.08! (180deg=-4.83!) USER MOD Single : B 155 GLN : amide:sc= -0.352 K(o=-0.35,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 71.788 8.017 10.129 1.00 0.00 N ATOM 45 CA ILE A 4 70.722 8.924 10.665 1.00 0.00 C ATOM 46 C ILE A 4 69.326 8.330 10.407 1.00 0.00 C ATOM 47 O ILE A 4 68.541 8.164 11.322 1.00 0.00 O ATOM 48 CB ILE A 4 70.924 10.246 9.912 1.00 0.00 C ATOM 49 CG1 ILE A 4 72.188 10.936 10.439 1.00 0.00 C ATOM 50 CG2 ILE A 4 69.719 11.166 10.131 1.00 0.00 C ATOM 51 CD1 ILE A 4 73.017 11.461 9.263 1.00 0.00 C ATOM 0 HA ILE A 4 70.790 9.062 11.744 1.00 0.00 H new ATOM 0 HB ILE A 4 71.026 10.040 8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 4 71.916 11.758 11.101 1.00 0.00 H new ATOM 0 HG13 ILE A 4 72.778 10.234 11.028 1.00 0.00 H new ATOM 0 HG21 ILE A 4 69.873 12.101 9.592 1.00 0.00 H new ATOM 0 HG22 ILE A 4 68.817 10.678 9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 4 69.609 11.374 11.195 1.00 0.00 H new ATOM 0 HD11 ILE A 4 73.915 11.951 9.641 1.00 0.00 H new ATOM 0 HD12 ILE A 4 73.301 10.629 8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 4 72.426 12.177 8.692 1.00 0.00 H new ATOM 63 N TYR A 5 69.014 8.004 9.174 1.00 0.00 N ATOM 64 CA TYR A 5 67.667 7.414 8.869 1.00 0.00 C ATOM 65 C TYR A 5 67.500 6.051 9.564 1.00 0.00 C ATOM 66 O TYR A 5 66.403 5.664 9.925 1.00 0.00 O ATOM 67 CB TYR A 5 67.623 7.262 7.341 1.00 0.00 C ATOM 68 CG TYR A 5 66.773 8.365 6.756 1.00 0.00 C ATOM 69 CD1 TYR A 5 65.384 8.211 6.671 1.00 0.00 C ATOM 70 CD2 TYR A 5 67.374 9.548 6.310 1.00 0.00 C ATOM 71 CE1 TYR A 5 64.597 9.239 6.138 1.00 0.00 C ATOM 72 CE2 TYR A 5 66.587 10.575 5.775 1.00 0.00 C ATOM 73 CZ TYR A 5 65.198 10.421 5.691 1.00 0.00 C ATOM 74 OH TYR A 5 64.421 11.436 5.169 1.00 0.00 O ATOM 0 H TYR A 5 69.629 8.120 8.369 1.00 0.00 H new ATOM 0 HA TYR A 5 66.856 8.046 9.232 1.00 0.00 H new ATOM 0 HB2 TYR A 5 68.632 7.307 6.930 1.00 0.00 H new ATOM 0 HB3 TYR A 5 67.212 6.289 7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 5 64.920 7.299 7.017 1.00 0.00 H new ATOM 0 HD2 TYR A 5 68.445 9.669 6.379 1.00 0.00 H new ATOM 0 HE1 TYR A 5 63.526 9.120 6.072 1.00 0.00 H new ATOM 0 HE2 TYR A 5 67.051 11.486 5.427 1.00 0.00 H new ATOM 0 HH TYR A 5 64.995 12.186 4.907 1.00 0.00 H new ATOM 84 N LYS A 6 68.579 5.329 9.769 1.00 0.00 N ATOM 85 CA LYS A 6 68.480 4.003 10.457 1.00 0.00 C ATOM 86 C LYS A 6 68.018 4.196 11.908 1.00 0.00 C ATOM 87 O LYS A 6 67.260 3.403 12.436 1.00 0.00 O ATOM 88 CB LYS A 6 69.896 3.428 10.417 1.00 0.00 C ATOM 89 CG LYS A 6 69.910 2.052 11.091 1.00 0.00 C ATOM 90 CD LYS A 6 71.124 1.253 10.611 1.00 0.00 C ATOM 91 CE LYS A 6 72.378 2.130 10.669 1.00 0.00 C ATOM 92 NZ LYS A 6 73.514 1.202 10.411 1.00 0.00 N ATOM 0 H LYS A 6 69.521 5.602 9.489 1.00 0.00 H new ATOM 0 HA LYS A 6 67.759 3.341 9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 6 70.236 3.342 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 6 70.587 4.100 10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 6 69.944 2.168 12.174 1.00 0.00 H new ATOM 0 HG3 LYS A 6 68.992 1.513 10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 6 71.258 0.369 11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 6 70.961 0.903 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 6 72.339 2.923 9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 6 72.477 2.613 11.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 74.408 1.733 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 73.531 0.462 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 73.398 0.762 9.476 1.00 0.00 H new ATOM 106 N ALA A 7 68.466 5.251 12.549 1.00 0.00 N ATOM 107 CA ALA A 7 68.052 5.514 13.963 1.00 0.00 C ATOM 108 C ALA A 7 66.522 5.626 14.054 1.00 0.00 C ATOM 109 O ALA A 7 65.918 5.152 14.996 1.00 0.00 O ATOM 110 CB ALA A 7 68.714 6.846 14.334 1.00 0.00 C ATOM 0 H ALA A 7 69.102 5.942 12.151 1.00 0.00 H new ATOM 0 HA ALA A 7 68.353 4.712 14.637 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.456 7.107 15.360 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.796 6.752 14.244 1.00 0.00 H new ATOM 0 HB3 ALA A 7 68.361 7.628 13.661 1.00 0.00 H new ATOM 116 N ALA A 8 65.896 6.240 13.076 1.00 0.00 N ATOM 117 CA ALA A 8 64.405 6.374 13.095 1.00 0.00 C ATOM 118 C ALA A 8 63.747 4.993 12.956 1.00 0.00 C ATOM 119 O ALA A 8 62.811 4.672 13.663 1.00 0.00 O ATOM 120 CB ALA A 8 64.065 7.261 11.892 1.00 0.00 C ATOM 0 H ALA A 8 66.355 6.654 12.265 1.00 0.00 H new ATOM 0 HA ALA A 8 64.042 6.805 14.028 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.986 7.405 11.840 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.555 8.228 12.003 1.00 0.00 H new ATOM 0 HB3 ALA A 8 64.412 6.781 10.977 1.00 0.00 H new ATOM 126 N VAL A 9 64.238 4.171 12.058 1.00 0.00 N ATOM 127 CA VAL A 9 63.651 2.802 11.881 1.00 0.00 C ATOM 128 C VAL A 9 63.873 1.967 13.150 1.00 0.00 C ATOM 129 O VAL A 9 62.977 1.291 13.617 1.00 0.00 O ATOM 130 CB VAL A 9 64.400 2.195 10.684 1.00 0.00 C ATOM 131 CG1 VAL A 9 64.214 0.673 10.662 1.00 0.00 C ATOM 132 CG2 VAL A 9 63.846 2.788 9.385 1.00 0.00 C ATOM 0 H VAL A 9 65.020 4.388 11.440 1.00 0.00 H new ATOM 0 HA VAL A 9 62.575 2.830 11.707 1.00 0.00 H new ATOM 0 HB VAL A 9 65.461 2.425 10.775 1.00 0.00 H new ATOM 0 HG11 VAL A 9 64.749 0.253 9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 9 64.608 0.245 11.584 1.00 0.00 H new ATOM 0 HG13 VAL A 9 63.153 0.437 10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 9 64.376 2.359 8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 9 62.784 2.558 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 9 63.984 3.869 9.391 1.00 0.00 H new ATOM 142 N GLU A 10 65.053 2.017 13.714 1.00 0.00 N ATOM 143 CA GLU A 10 65.322 1.234 14.960 1.00 0.00 C ATOM 144 C GLU A 10 64.636 1.895 16.165 1.00 0.00 C ATOM 145 O GLU A 10 64.413 1.261 17.180 1.00 0.00 O ATOM 146 CB GLU A 10 66.846 1.243 15.126 1.00 0.00 C ATOM 147 CG GLU A 10 67.491 0.312 14.088 1.00 0.00 C ATOM 148 CD GLU A 10 66.805 -1.059 14.113 1.00 0.00 C ATOM 149 OE1 GLU A 10 67.070 -1.818 15.031 1.00 0.00 O ATOM 150 OE2 GLU A 10 66.022 -1.325 13.215 1.00 0.00 O ATOM 0 H GLU A 10 65.841 2.565 13.367 1.00 0.00 H new ATOM 0 HA GLU A 10 64.933 0.218 14.897 1.00 0.00 H new ATOM 0 HB2 GLU A 10 67.228 2.257 15.005 1.00 0.00 H new ATOM 0 HB3 GLU A 10 67.113 0.920 16.132 1.00 0.00 H new ATOM 0 HG2 GLU A 10 67.409 0.751 13.094 1.00 0.00 H new ATOM 0 HG3 GLU A 10 68.554 0.199 14.300 1.00 0.00 H new ATOM 157 N GLN A 11 64.291 3.161 16.057 1.00 0.00 N ATOM 158 CA GLN A 11 63.607 3.861 17.191 1.00 0.00 C ATOM 159 C GLN A 11 62.296 3.142 17.534 1.00 0.00 C ATOM 160 O GLN A 11 62.038 2.829 18.681 1.00 0.00 O ATOM 161 CB GLN A 11 63.331 5.283 16.687 1.00 0.00 C ATOM 162 CG GLN A 11 64.061 6.292 17.577 1.00 0.00 C ATOM 163 CD GLN A 11 64.329 7.577 16.787 1.00 0.00 C ATOM 164 OE1 GLN A 11 63.432 8.364 16.564 1.00 0.00 O ATOM 165 NE2 GLN A 11 65.532 7.824 16.352 1.00 0.00 N ATOM 0 H GLN A 11 64.455 3.737 15.231 1.00 0.00 H new ATOM 0 HA GLN A 11 64.214 3.870 18.096 1.00 0.00 H new ATOM 0 HB2 GLN A 11 63.665 5.385 15.654 1.00 0.00 H new ATOM 0 HB3 GLN A 11 62.259 5.482 16.697 1.00 0.00 H new ATOM 0 HG2 GLN A 11 63.461 6.514 18.459 1.00 0.00 H new ATOM 0 HG3 GLN A 11 65.001 5.867 17.930 1.00 0.00 H new ATOM 0 HE21 GLN A 11 66.287 7.164 16.538 1.00 0.00 H new ATOM 0 HE22 GLN A 11 65.719 8.677 15.825 1.00 0.00 H new ATOM 174 N LEU A 12 61.474 2.861 16.548 1.00 0.00 N ATOM 175 CA LEU A 12 60.195 2.140 16.831 1.00 0.00 C ATOM 176 C LEU A 12 60.511 0.674 17.169 1.00 0.00 C ATOM 177 O LEU A 12 61.323 0.036 16.523 1.00 0.00 O ATOM 178 CB LEU A 12 59.337 2.276 15.556 1.00 0.00 C ATOM 179 CG LEU A 12 59.963 1.515 14.380 1.00 0.00 C ATOM 180 CD1 LEU A 12 59.022 0.387 13.950 1.00 0.00 C ATOM 181 CD2 LEU A 12 60.164 2.474 13.205 1.00 0.00 C ATOM 0 H LEU A 12 61.634 3.098 15.569 1.00 0.00 H new ATOM 0 HA LEU A 12 59.654 2.551 17.684 1.00 0.00 H new ATOM 0 HB2 LEU A 12 58.334 1.894 15.747 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.232 3.329 15.296 1.00 0.00 H new ATOM 0 HG LEU A 12 60.924 1.099 14.684 1.00 0.00 H new ATOM 0 HD11 LEU A 12 59.463 -0.156 13.114 1.00 0.00 H new ATOM 0 HD12 LEU A 12 58.867 -0.296 14.785 1.00 0.00 H new ATOM 0 HD13 LEU A 12 58.065 0.809 13.644 1.00 0.00 H new ATOM 0 HD21 LEU A 12 60.609 1.936 12.368 1.00 0.00 H new ATOM 0 HD22 LEU A 12 59.201 2.885 12.902 1.00 0.00 H new ATOM 0 HD23 LEU A 12 60.826 3.286 13.507 1.00 0.00 H new ATOM 193 N THR A 13 59.905 0.151 18.207 1.00 0.00 N ATOM 194 CA THR A 13 60.196 -1.261 18.626 1.00 0.00 C ATOM 195 C THR A 13 59.849 -2.271 17.529 1.00 0.00 C ATOM 196 O THR A 13 59.175 -1.962 16.562 1.00 0.00 O ATOM 197 CB THR A 13 59.352 -1.502 19.879 1.00 0.00 C ATOM 198 OG1 THR A 13 59.755 -2.725 20.474 1.00 0.00 O ATOM 199 CG2 THR A 13 57.870 -1.567 19.508 1.00 0.00 C ATOM 0 H THR A 13 59.220 0.639 18.784 1.00 0.00 H new ATOM 0 HA THR A 13 61.260 -1.396 18.819 1.00 0.00 H new ATOM 0 HB THR A 13 59.498 -0.683 20.583 1.00 0.00 H new ATOM 0 HG1 THR A 13 59.122 -2.969 21.181 1.00 0.00 H new ATOM 0 HG21 THR A 13 57.277 -1.739 20.406 1.00 0.00 H new ATOM 0 HG22 THR A 13 57.568 -0.626 19.049 1.00 0.00 H new ATOM 0 HG23 THR A 13 57.707 -2.383 18.804 1.00 0.00 H new ATOM 207 N GLU A 14 60.322 -3.482 17.687 1.00 0.00 N ATOM 208 CA GLU A 14 60.052 -4.542 16.671 1.00 0.00 C ATOM 209 C GLU A 14 58.544 -4.812 16.547 1.00 0.00 C ATOM 210 O GLU A 14 58.074 -5.233 15.508 1.00 0.00 O ATOM 211 CB GLU A 14 60.793 -5.788 17.173 1.00 0.00 C ATOM 212 CG GLU A 14 61.413 -6.538 15.984 1.00 0.00 C ATOM 213 CD GLU A 14 62.410 -5.634 15.247 1.00 0.00 C ATOM 214 OE1 GLU A 14 63.258 -5.050 15.903 1.00 0.00 O ATOM 215 OE2 GLU A 14 62.309 -5.540 14.034 1.00 0.00 O ATOM 0 H GLU A 14 60.887 -3.782 18.481 1.00 0.00 H new ATOM 0 HA GLU A 14 60.392 -4.245 15.679 1.00 0.00 H new ATOM 0 HB2 GLU A 14 61.572 -5.500 17.879 1.00 0.00 H new ATOM 0 HB3 GLU A 14 60.104 -6.442 17.708 1.00 0.00 H new ATOM 0 HG2 GLU A 14 61.918 -7.437 16.336 1.00 0.00 H new ATOM 0 HG3 GLU A 14 60.629 -6.860 15.299 1.00 0.00 H new ATOM 222 N GLU A 15 57.782 -4.558 17.587 1.00 0.00 N ATOM 223 CA GLU A 15 56.303 -4.785 17.507 1.00 0.00 C ATOM 224 C GLU A 15 55.731 -3.956 16.352 1.00 0.00 C ATOM 225 O GLU A 15 54.949 -4.440 15.559 1.00 0.00 O ATOM 226 CB GLU A 15 55.737 -4.313 18.851 1.00 0.00 C ATOM 227 CG GLU A 15 56.071 -5.340 19.941 1.00 0.00 C ATOM 228 CD GLU A 15 57.335 -4.911 20.692 1.00 0.00 C ATOM 229 OE1 GLU A 15 57.207 -4.173 21.655 1.00 0.00 O ATOM 230 OE2 GLU A 15 58.408 -5.328 20.290 1.00 0.00 O ATOM 0 H GLU A 15 58.119 -4.205 18.483 1.00 0.00 H new ATOM 0 HA GLU A 15 56.048 -5.829 17.323 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.156 -3.341 19.112 1.00 0.00 H new ATOM 0 HB3 GLU A 15 54.657 -4.185 18.777 1.00 0.00 H new ATOM 0 HG2 GLU A 15 55.237 -5.429 20.637 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.219 -6.323 19.494 1.00 0.00 H new ATOM 237 N GLN A 16 56.151 -2.717 16.234 1.00 0.00 N ATOM 238 CA GLN A 16 55.669 -1.858 15.107 1.00 0.00 C ATOM 239 C GLN A 16 56.245 -2.388 13.795 1.00 0.00 C ATOM 240 O GLN A 16 55.584 -2.423 12.773 1.00 0.00 O ATOM 241 CB GLN A 16 56.207 -0.455 15.400 1.00 0.00 C ATOM 242 CG GLN A 16 55.434 0.169 16.560 1.00 0.00 C ATOM 243 CD GLN A 16 56.190 1.395 17.081 1.00 0.00 C ATOM 244 OE1 GLN A 16 57.019 1.282 17.962 1.00 0.00 O ATOM 245 NE2 GLN A 16 55.941 2.568 16.571 1.00 0.00 N ATOM 0 H GLN A 16 56.807 -2.265 16.871 1.00 0.00 H new ATOM 0 HA GLN A 16 54.583 -1.853 15.019 1.00 0.00 H new ATOM 0 HB2 GLN A 16 57.268 -0.507 15.645 1.00 0.00 H new ATOM 0 HB3 GLN A 16 56.116 0.171 14.513 1.00 0.00 H new ATOM 0 HG2 GLN A 16 54.436 0.457 16.231 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.308 -0.560 17.360 1.00 0.00 H new ATOM 0 HE21 GLN A 16 55.245 2.665 15.831 1.00 0.00 H new ATOM 0 HE22 GLN A 16 56.442 3.389 16.911 1.00 0.00 H new ATOM 254 N LYS A 17 57.474 -2.822 13.840 1.00 0.00 N ATOM 255 CA LYS A 17 58.138 -3.391 12.625 1.00 0.00 C ATOM 256 C LYS A 17 57.375 -4.642 12.158 1.00 0.00 C ATOM 257 O LYS A 17 57.347 -4.953 10.983 1.00 0.00 O ATOM 258 CB LYS A 17 59.558 -3.761 13.078 1.00 0.00 C ATOM 259 CG LYS A 17 60.496 -2.563 12.884 1.00 0.00 C ATOM 260 CD LYS A 17 61.366 -2.386 14.132 1.00 0.00 C ATOM 261 CE LYS A 17 62.727 -1.794 13.741 1.00 0.00 C ATOM 262 NZ LYS A 17 63.714 -2.878 14.013 1.00 0.00 N ATOM 0 H LYS A 17 58.057 -2.808 14.677 1.00 0.00 H new ATOM 0 HA LYS A 17 58.154 -2.690 11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.548 -4.061 14.126 1.00 0.00 H new ATOM 0 HB3 LYS A 17 59.921 -4.615 12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 17 61.126 -2.719 12.008 1.00 0.00 H new ATOM 0 HG3 LYS A 17 59.915 -1.659 12.702 1.00 0.00 H new ATOM 0 HD2 LYS A 17 60.866 -1.730 14.845 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.506 -3.347 14.627 1.00 0.00 H new ATOM 0 HE2 LYS A 17 62.743 -1.501 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 17 62.951 -0.901 14.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 64.679 -2.501 13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 63.578 -3.237 14.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 63.575 -3.653 13.333 1.00 0.00 H new ATOM 276 N ASN A 18 56.748 -5.350 13.074 1.00 0.00 N ATOM 277 CA ASN A 18 55.971 -6.574 12.695 1.00 0.00 C ATOM 278 C ASN A 18 54.862 -6.209 11.701 1.00 0.00 C ATOM 279 O ASN A 18 54.651 -6.896 10.722 1.00 0.00 O ATOM 280 CB ASN A 18 55.369 -7.097 14.005 1.00 0.00 C ATOM 281 CG ASN A 18 55.323 -8.627 13.979 1.00 0.00 C ATOM 282 OD1 ASN A 18 55.049 -9.224 12.956 1.00 0.00 O ATOM 283 ND2 ASN A 18 55.578 -9.294 15.069 1.00 0.00 N ATOM 0 H ASN A 18 56.743 -5.130 14.070 1.00 0.00 H new ATOM 0 HA ASN A 18 56.598 -7.324 12.213 1.00 0.00 H new ATOM 0 HB2 ASN A 18 55.965 -6.756 14.852 1.00 0.00 H new ATOM 0 HB3 ASN A 18 54.365 -6.696 14.140 1.00 0.00 H new ATOM 0 HD21 ASN A 18 55.547 -10.314 15.062 1.00 0.00 H new ATOM 0 HD22 ASN A 18 55.808 -8.797 15.929 1.00 0.00 H new ATOM 290 N GLU A 19 54.161 -5.123 11.939 1.00 0.00 N ATOM 291 CA GLU A 19 53.078 -4.706 10.993 1.00 0.00 C ATOM 292 C GLU A 19 53.664 -4.537 9.587 1.00 0.00 C ATOM 293 O GLU A 19 53.081 -4.963 8.607 1.00 0.00 O ATOM 294 CB GLU A 19 52.554 -3.371 11.533 1.00 0.00 C ATOM 295 CG GLU A 19 51.437 -3.637 12.547 1.00 0.00 C ATOM 296 CD GLU A 19 52.039 -3.876 13.933 1.00 0.00 C ATOM 297 OE1 GLU A 19 52.270 -2.904 14.634 1.00 0.00 O ATOM 298 OE2 GLU A 19 52.259 -5.028 14.270 1.00 0.00 O ATOM 0 H GLU A 19 54.292 -4.511 12.744 1.00 0.00 H new ATOM 0 HA GLU A 19 52.278 -5.443 10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.363 -2.814 12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 19 52.179 -2.757 10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 19 50.753 -2.789 12.579 1.00 0.00 H new ATOM 0 HG3 GLU A 19 50.854 -4.505 12.240 1.00 0.00 H new ATOM 305 N PHE A 20 54.832 -3.946 9.486 1.00 0.00 N ATOM 306 CA PHE A 20 55.478 -3.780 8.149 1.00 0.00 C ATOM 307 C PHE A 20 55.937 -5.149 7.634 1.00 0.00 C ATOM 308 O PHE A 20 55.834 -5.441 6.459 1.00 0.00 O ATOM 309 CB PHE A 20 56.677 -2.857 8.386 1.00 0.00 C ATOM 310 CG PHE A 20 56.206 -1.420 8.430 1.00 0.00 C ATOM 311 CD1 PHE A 20 55.430 -0.904 7.383 1.00 0.00 C ATOM 312 CD2 PHE A 20 56.544 -0.605 9.518 1.00 0.00 C ATOM 313 CE1 PHE A 20 54.993 0.426 7.425 1.00 0.00 C ATOM 314 CE2 PHE A 20 56.106 0.724 9.559 1.00 0.00 C ATOM 315 CZ PHE A 20 55.331 1.239 8.513 1.00 0.00 C ATOM 0 H PHE A 20 55.363 -3.573 10.272 1.00 0.00 H new ATOM 0 HA PHE A 20 54.800 -3.361 7.405 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.171 -3.118 9.322 1.00 0.00 H new ATOM 0 HB3 PHE A 20 57.412 -2.986 7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.169 -1.532 6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 20 57.142 -1.002 10.325 1.00 0.00 H new ATOM 0 HE1 PHE A 20 54.395 0.824 6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 20 56.366 1.352 10.398 1.00 0.00 H new ATOM 0 HZ PHE A 20 54.994 2.264 8.546 1.00 0.00 H new ATOM 325 N LYS A 21 56.420 -6.000 8.514 1.00 0.00 N ATOM 326 CA LYS A 21 56.858 -7.363 8.083 1.00 0.00 C ATOM 327 C LYS A 21 55.641 -8.141 7.552 1.00 0.00 C ATOM 328 O LYS A 21 55.757 -8.941 6.646 1.00 0.00 O ATOM 329 CB LYS A 21 57.489 -8.009 9.339 1.00 0.00 C ATOM 330 CG LYS A 21 56.556 -9.051 9.977 1.00 0.00 C ATOM 331 CD LYS A 21 56.960 -10.456 9.521 1.00 0.00 C ATOM 332 CE LYS A 21 55.971 -11.481 10.085 1.00 0.00 C ATOM 333 NZ LYS A 21 54.835 -11.496 9.119 1.00 0.00 N ATOM 0 H LYS A 21 56.528 -5.806 9.510 1.00 0.00 H new ATOM 0 HA LYS A 21 57.585 -7.351 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.432 -8.484 9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.720 -7.233 10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 21 56.608 -8.982 11.064 1.00 0.00 H new ATOM 0 HG3 LYS A 21 55.523 -8.850 9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 21 56.972 -10.507 8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 21 57.970 -10.684 9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 21 56.430 -12.466 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 21 55.636 -11.198 11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 54.200 -12.289 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 54.309 -10.601 9.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 55.203 -11.608 8.153 1.00 0.00 H new ATOM 347 N ALA A 22 54.468 -7.879 8.090 1.00 0.00 N ATOM 348 CA ALA A 22 53.237 -8.567 7.595 1.00 0.00 C ATOM 349 C ALA A 22 52.917 -8.063 6.181 1.00 0.00 C ATOM 350 O ALA A 22 52.612 -8.835 5.292 1.00 0.00 O ATOM 351 CB ALA A 22 52.129 -8.173 8.579 1.00 0.00 C ATOM 0 H ALA A 22 54.315 -7.217 8.851 1.00 0.00 H new ATOM 0 HA ALA A 22 53.348 -9.650 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.192 -8.642 8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.397 -8.507 9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.009 -7.090 8.577 1.00 0.00 H new ATOM 357 N ALA A 23 53.014 -6.770 5.966 1.00 0.00 N ATOM 358 CA ALA A 23 52.747 -6.205 4.606 1.00 0.00 C ATOM 359 C ALA A 23 53.860 -6.644 3.645 1.00 0.00 C ATOM 360 O ALA A 23 53.603 -7.047 2.527 1.00 0.00 O ATOM 361 CB ALA A 23 52.755 -4.682 4.791 1.00 0.00 C ATOM 0 H ALA A 23 53.267 -6.083 6.676 1.00 0.00 H new ATOM 0 HA ALA A 23 51.801 -6.548 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 23 52.565 -4.198 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 23 51.978 -4.398 5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 23 53.727 -4.367 5.171 1.00 0.00 H new ATOM 367 N PHE A 24 55.095 -6.584 4.089 1.00 0.00 N ATOM 368 CA PHE A 24 56.238 -7.014 3.224 1.00 0.00 C ATOM 369 C PHE A 24 56.078 -8.494 2.846 1.00 0.00 C ATOM 370 O PHE A 24 56.378 -8.891 1.736 1.00 0.00 O ATOM 371 CB PHE A 24 57.489 -6.806 4.088 1.00 0.00 C ATOM 372 CG PHE A 24 58.730 -6.860 3.223 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.233 -8.095 2.794 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.380 -5.676 2.855 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.384 -8.145 1.999 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.530 -5.727 2.058 1.00 0.00 C ATOM 377 CZ PHE A 24 61.033 -6.961 1.630 1.00 0.00 C ATOM 0 H PHE A 24 55.359 -6.254 5.017 1.00 0.00 H new ATOM 0 HA PHE A 24 56.293 -6.451 2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.433 -5.844 4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.540 -7.574 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.732 -9.009 3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.994 -4.723 3.186 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.772 -9.098 1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.030 -4.813 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.921 -7.000 1.016 1.00 0.00 H new ATOM 387 N ASP A 25 55.598 -9.305 3.763 1.00 0.00 N ATOM 388 CA ASP A 25 55.401 -10.763 3.472 1.00 0.00 C ATOM 389 C ASP A 25 54.541 -10.956 2.214 1.00 0.00 C ATOM 390 O ASP A 25 54.859 -11.754 1.354 1.00 0.00 O ATOM 391 CB ASP A 25 54.674 -11.320 4.703 1.00 0.00 C ATOM 392 CG ASP A 25 55.596 -12.273 5.463 1.00 0.00 C ATOM 393 OD1 ASP A 25 55.957 -13.293 4.900 1.00 0.00 O ATOM 394 OD2 ASP A 25 55.922 -11.969 6.598 1.00 0.00 O ATOM 0 H ASP A 25 55.333 -9.017 4.705 1.00 0.00 H new ATOM 0 HA ASP A 25 56.348 -11.270 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 25 54.364 -10.503 5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 25 53.769 -11.843 4.396 1.00 0.00 H new ATOM 399 N ILE A 26 53.458 -10.228 2.100 1.00 0.00 N ATOM 400 CA ILE A 26 52.580 -10.369 0.893 1.00 0.00 C ATOM 401 C ILE A 26 53.069 -9.447 -0.240 1.00 0.00 C ATOM 402 O ILE A 26 52.611 -9.544 -1.364 1.00 0.00 O ATOM 403 CB ILE A 26 51.167 -9.968 1.344 1.00 0.00 C ATOM 404 CG1 ILE A 26 50.845 -10.572 2.718 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.151 -10.490 0.327 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.142 -9.520 3.579 1.00 0.00 C ATOM 0 H ILE A 26 53.143 -9.543 2.787 1.00 0.00 H new ATOM 0 HA ILE A 26 52.598 -11.388 0.505 1.00 0.00 H new ATOM 0 HB ILE A 26 51.117 -8.881 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 26 50.208 -11.449 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 26 51.761 -10.905 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.145 -10.209 0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.360 -10.057 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.222 -11.576 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 26 49.911 -9.945 4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 26 50.795 -8.656 3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.218 -9.209 3.091 1.00 0.00 H new ATOM 418 N PHE A 27 53.998 -8.562 0.041 1.00 0.00 N ATOM 419 CA PHE A 27 54.520 -7.650 -1.024 1.00 0.00 C ATOM 420 C PHE A 27 55.436 -8.429 -1.980 1.00 0.00 C ATOM 421 O PHE A 27 55.502 -8.137 -3.158 1.00 0.00 O ATOM 422 CB PHE A 27 55.317 -6.569 -0.284 1.00 0.00 C ATOM 423 CG PHE A 27 54.963 -5.203 -0.828 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.000 -4.962 -2.209 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.605 -4.174 0.050 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.674 -3.696 -2.708 1.00 0.00 C ATOM 427 CE2 PHE A 27 54.280 -2.907 -0.450 1.00 0.00 C ATOM 428 CZ PHE A 27 54.315 -2.668 -1.829 1.00 0.00 C ATOM 0 H PHE A 27 54.416 -8.433 0.962 1.00 0.00 H new ATOM 0 HA PHE A 27 53.717 -7.219 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.100 -6.612 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.386 -6.750 -0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.280 -5.754 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.579 -4.357 1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.699 -3.512 -3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 27 54.002 -2.114 0.228 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.065 -1.691 -2.214 1.00 0.00 H new ATOM 438 N VAL A 28 56.136 -9.421 -1.478 1.00 0.00 N ATOM 439 CA VAL A 28 57.042 -10.229 -2.357 1.00 0.00 C ATOM 440 C VAL A 28 56.364 -11.553 -2.746 1.00 0.00 C ATOM 441 O VAL A 28 56.951 -12.615 -2.648 1.00 0.00 O ATOM 442 CB VAL A 28 58.320 -10.489 -1.534 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.106 -9.187 -1.363 1.00 0.00 C ATOM 444 CG2 VAL A 28 57.964 -11.047 -0.149 1.00 0.00 C ATOM 0 H VAL A 28 56.119 -9.705 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 28 57.274 -9.705 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 28 58.929 -11.219 -2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 28 60.007 -9.380 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.383 -8.798 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.488 -8.454 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.878 -11.224 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.341 -10.329 0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.420 -11.985 -0.263 1.00 0.00 H new ATOM 454 N LEU A 29 55.132 -11.494 -3.195 1.00 0.00 N ATOM 455 CA LEU A 29 54.410 -12.745 -3.601 1.00 0.00 C ATOM 456 C LEU A 29 55.069 -13.347 -4.848 1.00 0.00 C ATOM 457 O LEU A 29 55.367 -14.524 -4.894 1.00 0.00 O ATOM 458 CB LEU A 29 52.971 -12.304 -3.904 1.00 0.00 C ATOM 459 CG LEU A 29 52.090 -12.542 -2.674 1.00 0.00 C ATOM 460 CD1 LEU A 29 50.739 -11.850 -2.870 1.00 0.00 C ATOM 461 CD2 LEU A 29 51.862 -14.044 -2.484 1.00 0.00 C ATOM 0 H LEU A 29 54.594 -10.633 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 29 54.438 -13.509 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 29 52.953 -11.249 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 29 52.581 -12.861 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 29 52.588 -12.135 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 29 50.113 -12.020 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.894 -10.779 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.246 -12.257 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 29 51.235 -14.209 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 29 51.368 -14.451 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 29 52.821 -14.543 -2.343 1.00 0.00 H new ATOM 473 N GLY A 30 55.312 -12.538 -5.850 1.00 0.00 N ATOM 474 CA GLY A 30 55.970 -13.044 -7.093 1.00 0.00 C ATOM 475 C GLY A 30 57.398 -12.490 -7.175 1.00 0.00 C ATOM 476 O GLY A 30 57.940 -12.311 -8.249 1.00 0.00 O ATOM 0 H GLY A 30 55.081 -11.544 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 30 55.991 -14.134 -7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 30 55.399 -12.739 -7.970 1.00 0.00 H new ATOM 480 N ALA A 31 58.012 -12.217 -6.047 1.00 0.00 N ATOM 481 CA ALA A 31 59.404 -11.676 -6.057 1.00 0.00 C ATOM 482 C ALA A 31 60.400 -12.780 -5.681 1.00 0.00 C ATOM 483 O ALA A 31 60.706 -12.989 -4.521 1.00 0.00 O ATOM 484 CB ALA A 31 59.408 -10.556 -5.010 1.00 0.00 C ATOM 0 H ALA A 31 57.606 -12.347 -5.120 1.00 0.00 H new ATOM 0 HA ALA A 31 59.698 -11.307 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.401 -10.109 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 31 58.680 -9.794 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.146 -10.968 -4.036 1.00 0.00 H new ATOM 524 N CYS A 35 63.557 -9.761 -2.256 1.00 0.00 N ATOM 525 CA CYS A 35 62.911 -8.560 -1.637 1.00 0.00 C ATOM 526 C CYS A 35 61.816 -8.003 -2.562 1.00 0.00 C ATOM 527 O CYS A 35 61.420 -8.639 -3.520 1.00 0.00 O ATOM 528 CB CYS A 35 64.039 -7.530 -1.432 1.00 0.00 C ATOM 529 SG CYS A 35 65.511 -7.984 -2.391 1.00 0.00 S ATOM 0 HA CYS A 35 62.427 -8.805 -0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 35 63.694 -6.541 -1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.294 -7.469 -0.374 1.00 0.00 H new ATOM 0 HG CYS A 35 65.349 -9.169 -2.900 1.00 0.00 H new ATOM 535 N ILE A 36 61.313 -6.825 -2.275 1.00 0.00 N ATOM 536 CA ILE A 36 60.236 -6.241 -3.136 1.00 0.00 C ATOM 537 C ILE A 36 60.826 -5.708 -4.449 1.00 0.00 C ATOM 538 O ILE A 36 61.698 -4.857 -4.453 1.00 0.00 O ATOM 539 CB ILE A 36 59.615 -5.104 -2.308 1.00 0.00 C ATOM 540 CG1 ILE A 36 58.690 -5.702 -1.241 1.00 0.00 C ATOM 541 CG2 ILE A 36 58.802 -4.184 -3.225 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.378 -4.646 -0.173 1.00 0.00 C ATOM 0 H ILE A 36 61.600 -6.246 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 36 59.489 -6.985 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 36 60.408 -4.529 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 36 57.766 -6.051 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.163 -6.569 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 36 58.363 -3.379 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 36 59.456 -3.761 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.009 -4.757 -3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.721 -5.076 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.305 -4.319 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.886 -3.792 -0.639 1.00 0.00 H new ATOM 554 N SER A 37 60.343 -6.200 -5.562 1.00 0.00 N ATOM 555 CA SER A 37 60.854 -5.728 -6.885 1.00 0.00 C ATOM 556 C SER A 37 59.989 -4.569 -7.400 1.00 0.00 C ATOM 557 O SER A 37 58.861 -4.391 -6.975 1.00 0.00 O ATOM 558 CB SER A 37 60.737 -6.943 -7.809 1.00 0.00 C ATOM 559 OG SER A 37 61.148 -6.579 -9.121 1.00 0.00 O ATOM 0 H SER A 37 59.614 -6.911 -5.611 1.00 0.00 H new ATOM 0 HA SER A 37 61.878 -5.358 -6.829 1.00 0.00 H new ATOM 0 HB2 SER A 37 61.356 -7.759 -7.435 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.709 -7.304 -7.825 1.00 0.00 H new ATOM 0 HG SER A 37 61.076 -7.356 -9.714 1.00 0.00 H new ATOM 565 N THR A 38 60.506 -3.782 -8.312 1.00 0.00 N ATOM 566 CA THR A 38 59.712 -2.631 -8.858 1.00 0.00 C ATOM 567 C THR A 38 58.462 -3.138 -9.591 1.00 0.00 C ATOM 568 O THR A 38 57.407 -2.535 -9.514 1.00 0.00 O ATOM 569 CB THR A 38 60.651 -1.899 -9.828 1.00 0.00 C ATOM 570 OG1 THR A 38 61.327 -2.843 -10.649 1.00 0.00 O ATOM 571 CG2 THR A 38 61.676 -1.086 -9.033 1.00 0.00 C ATOM 0 H THR A 38 61.442 -3.885 -8.703 1.00 0.00 H new ATOM 0 HA THR A 38 59.365 -1.970 -8.064 1.00 0.00 H new ATOM 0 HB THR A 38 60.065 -1.230 -10.458 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.923 -2.371 -11.267 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.342 -0.567 -9.722 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.158 -0.357 -8.410 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.259 -1.755 -8.400 1.00 0.00 H new ATOM 579 N LYS A 39 58.567 -4.246 -10.290 1.00 0.00 N ATOM 580 CA LYS A 39 57.378 -4.799 -11.015 1.00 0.00 C ATOM 581 C LYS A 39 56.248 -5.095 -10.017 1.00 0.00 C ATOM 582 O LYS A 39 55.096 -4.795 -10.265 1.00 0.00 O ATOM 583 CB LYS A 39 57.871 -6.093 -11.672 1.00 0.00 C ATOM 584 CG LYS A 39 57.165 -6.297 -13.017 1.00 0.00 C ATOM 585 CD LYS A 39 58.177 -6.793 -14.056 1.00 0.00 C ATOM 586 CE LYS A 39 57.681 -6.453 -15.467 1.00 0.00 C ATOM 587 NZ LYS A 39 58.119 -5.046 -15.715 1.00 0.00 N ATOM 0 H LYS A 39 59.424 -4.790 -10.389 1.00 0.00 H new ATOM 0 HA LYS A 39 56.981 -4.101 -11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.950 -6.047 -11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.675 -6.941 -11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 39 56.355 -7.019 -12.909 1.00 0.00 H new ATOM 0 HG3 LYS A 39 56.716 -5.361 -13.349 1.00 0.00 H new ATOM 0 HD2 LYS A 39 59.148 -6.331 -13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 39 58.314 -7.870 -13.958 1.00 0.00 H new ATOM 0 HE2 LYS A 39 58.105 -7.132 -16.206 1.00 0.00 H new ATOM 0 HE3 LYS A 39 56.597 -6.544 -15.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 57.504 -4.613 -16.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 58.055 -4.502 -14.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 59.102 -5.043 -16.053 1.00 0.00 H new ATOM 601 N GLU A 40 56.579 -5.669 -8.884 1.00 0.00 N ATOM 602 CA GLU A 40 55.535 -5.974 -7.855 1.00 0.00 C ATOM 603 C GLU A 40 55.004 -4.669 -7.246 1.00 0.00 C ATOM 604 O GLU A 40 53.815 -4.502 -7.055 1.00 0.00 O ATOM 605 CB GLU A 40 56.253 -6.810 -6.789 1.00 0.00 C ATOM 606 CG GLU A 40 56.550 -8.211 -7.339 1.00 0.00 C ATOM 607 CD GLU A 40 55.660 -9.238 -6.636 1.00 0.00 C ATOM 608 OE1 GLU A 40 56.081 -9.760 -5.616 1.00 0.00 O ATOM 609 OE2 GLU A 40 54.573 -9.489 -7.131 1.00 0.00 O ATOM 0 H GLU A 40 57.529 -5.939 -8.628 1.00 0.00 H new ATOM 0 HA GLU A 40 54.681 -6.504 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 40 57.181 -6.321 -6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 40 55.634 -6.884 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 40 56.372 -8.236 -8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.600 -8.458 -7.184 1.00 0.00 H new ATOM 616 N LEU A 41 55.886 -3.743 -6.950 1.00 0.00 N ATOM 617 CA LEU A 41 55.457 -2.434 -6.359 1.00 0.00 C ATOM 618 C LEU A 41 54.507 -1.704 -7.319 1.00 0.00 C ATOM 619 O LEU A 41 53.353 -1.481 -7.009 1.00 0.00 O ATOM 620 CB LEU A 41 56.759 -1.646 -6.184 1.00 0.00 C ATOM 621 CG LEU A 41 56.625 -0.607 -5.064 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.226 0.019 -5.060 1.00 0.00 C ATOM 623 CD2 LEU A 41 56.883 -1.277 -3.711 1.00 0.00 C ATOM 0 H LEU A 41 56.891 -3.839 -7.093 1.00 0.00 H new ATOM 0 HA LEU A 41 54.920 -2.555 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.575 -2.331 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.015 -1.148 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 41 57.358 0.181 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.158 0.752 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 41 55.045 0.510 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.479 -0.760 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 41 56.788 -0.538 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 41 56.156 -2.074 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 41 57.889 -1.696 -3.698 1.00 0.00 H new ATOM 635 N GLY A 42 54.992 -1.332 -8.481 1.00 0.00 N ATOM 636 CA GLY A 42 54.130 -0.619 -9.484 1.00 0.00 C ATOM 637 C GLY A 42 52.790 -1.357 -9.649 1.00 0.00 C ATOM 638 O GLY A 42 51.743 -0.743 -9.709 1.00 0.00 O ATOM 0 H GLY A 42 55.954 -1.492 -8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.952 0.406 -9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.644 -0.564 -10.443 1.00 0.00 H new ATOM 642 N LYS A 43 52.816 -2.669 -9.707 1.00 0.00 N ATOM 643 CA LYS A 43 51.542 -3.450 -9.849 1.00 0.00 C ATOM 644 C LYS A 43 50.637 -3.227 -8.622 1.00 0.00 C ATOM 645 O LYS A 43 49.430 -3.128 -8.744 1.00 0.00 O ATOM 646 CB LYS A 43 51.986 -4.914 -9.937 1.00 0.00 C ATOM 647 CG LYS A 43 50.813 -5.789 -10.384 1.00 0.00 C ATOM 648 CD LYS A 43 51.180 -7.265 -10.197 1.00 0.00 C ATOM 649 CE LYS A 43 50.239 -8.142 -11.031 1.00 0.00 C ATOM 650 NZ LYS A 43 50.645 -9.545 -10.725 1.00 0.00 N ATOM 0 H LYS A 43 53.664 -3.233 -9.662 1.00 0.00 H new ATOM 0 HA LYS A 43 50.965 -3.146 -10.722 1.00 0.00 H new ATOM 0 HB2 LYS A 43 52.812 -5.011 -10.642 1.00 0.00 H new ATOM 0 HB3 LYS A 43 52.353 -5.251 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 43 49.923 -5.548 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 43 50.575 -5.591 -11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 43 52.213 -7.434 -10.500 1.00 0.00 H new ATOM 0 HD3 LYS A 43 51.108 -7.537 -9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 43 49.197 -7.966 -10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 43 50.338 -7.926 -12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 50.045 -10.205 -11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 51.640 -9.685 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 50.534 -9.724 -9.707 1.00 0.00 H new ATOM 664 N VAL A 44 51.216 -3.141 -7.448 1.00 0.00 N ATOM 665 CA VAL A 44 50.403 -2.915 -6.206 1.00 0.00 C ATOM 666 C VAL A 44 49.758 -1.512 -6.222 1.00 0.00 C ATOM 667 O VAL A 44 48.727 -1.294 -5.611 1.00 0.00 O ATOM 668 CB VAL A 44 51.410 -3.051 -5.048 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.883 -2.344 -3.794 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.628 -4.533 -4.732 1.00 0.00 C ATOM 0 H VAL A 44 52.221 -3.218 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 44 49.580 -3.624 -6.115 1.00 0.00 H new ATOM 0 HB VAL A 44 52.351 -2.590 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.606 -2.450 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.731 -1.286 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.936 -2.793 -3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.340 -4.629 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.680 -4.987 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 44 52.019 -5.039 -5.614 1.00 0.00 H new ATOM 680 N MET A 45 50.354 -0.565 -6.911 1.00 0.00 N ATOM 681 CA MET A 45 49.776 0.822 -6.961 1.00 0.00 C ATOM 682 C MET A 45 48.346 0.816 -7.532 1.00 0.00 C ATOM 683 O MET A 45 47.539 1.657 -7.187 1.00 0.00 O ATOM 684 CB MET A 45 50.709 1.619 -7.882 1.00 0.00 C ATOM 685 CG MET A 45 52.069 1.817 -7.204 1.00 0.00 C ATOM 686 SD MET A 45 52.090 3.402 -6.331 1.00 0.00 S ATOM 687 CE MET A 45 53.439 3.009 -5.191 1.00 0.00 C ATOM 0 H MET A 45 51.216 -0.691 -7.441 1.00 0.00 H new ATOM 0 HA MET A 45 49.708 1.255 -5.963 1.00 0.00 H new ATOM 0 HB2 MET A 45 50.838 1.092 -8.827 1.00 0.00 H new ATOM 0 HB3 MET A 45 50.265 2.587 -8.114 1.00 0.00 H new ATOM 0 HG2 MET A 45 52.259 1.003 -6.505 1.00 0.00 H new ATOM 0 HG3 MET A 45 52.865 1.790 -7.948 1.00 0.00 H new ATOM 0 HE1 MET A 45 53.604 3.851 -4.519 1.00 0.00 H new ATOM 0 HE2 MET A 45 53.178 2.125 -4.609 1.00 0.00 H new ATOM 0 HE3 MET A 45 54.349 2.814 -5.758 1.00 0.00 H new ATOM 697 N ARG A 46 48.027 -0.119 -8.400 1.00 0.00 N ATOM 698 CA ARG A 46 46.646 -0.170 -8.990 1.00 0.00 C ATOM 699 C ARG A 46 45.578 -0.249 -7.884 1.00 0.00 C ATOM 700 O ARG A 46 44.528 0.355 -7.986 1.00 0.00 O ATOM 701 CB ARG A 46 46.628 -1.437 -9.854 1.00 0.00 C ATOM 702 CG ARG A 46 45.312 -1.512 -10.638 1.00 0.00 C ATOM 703 CD ARG A 46 45.163 -2.902 -11.267 1.00 0.00 C ATOM 704 NE ARG A 46 44.331 -3.678 -10.300 1.00 0.00 N ATOM 705 CZ ARG A 46 44.767 -4.811 -9.825 1.00 0.00 C ATOM 706 NH1 ARG A 46 45.665 -4.817 -8.884 1.00 0.00 N ATOM 707 NH2 ARG A 46 44.302 -5.935 -10.291 1.00 0.00 N ATOM 0 H ARG A 46 48.662 -0.848 -8.725 1.00 0.00 H new ATOM 0 HA ARG A 46 46.420 0.724 -9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 46 47.473 -1.430 -10.543 1.00 0.00 H new ATOM 0 HB3 ARG A 46 46.737 -2.320 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 46 44.471 -1.310 -9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 46 45.296 -0.747 -11.415 1.00 0.00 H new ATOM 0 HD2 ARG A 46 44.682 -2.844 -12.243 1.00 0.00 H new ATOM 0 HD3 ARG A 46 46.134 -3.373 -11.418 1.00 0.00 H new ATOM 0 HE ARG A 46 43.420 -3.321 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 46 46.027 -3.936 -8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 46 46.007 -5.703 -8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 46 43.597 -5.929 -11.028 1.00 0.00 H new ATOM 0 HH22 ARG A 46 44.643 -6.821 -9.919 1.00 0.00 H new ATOM 721 N MET A 47 45.842 -0.982 -6.829 1.00 0.00 N ATOM 722 CA MET A 47 44.845 -1.095 -5.713 1.00 0.00 C ATOM 723 C MET A 47 45.054 0.018 -4.665 1.00 0.00 C ATOM 724 O MET A 47 44.399 0.038 -3.640 1.00 0.00 O ATOM 725 CB MET A 47 45.098 -2.475 -5.095 1.00 0.00 C ATOM 726 CG MET A 47 43.849 -2.938 -4.341 1.00 0.00 C ATOM 727 SD MET A 47 44.190 -4.517 -3.521 1.00 0.00 S ATOM 728 CE MET A 47 44.561 -3.854 -1.877 1.00 0.00 C ATOM 0 H MET A 47 46.705 -1.508 -6.691 1.00 0.00 H new ATOM 0 HA MET A 47 43.822 -0.985 -6.072 1.00 0.00 H new ATOM 0 HB2 MET A 47 45.351 -3.193 -5.875 1.00 0.00 H new ATOM 0 HB3 MET A 47 45.949 -2.430 -4.416 1.00 0.00 H new ATOM 0 HG2 MET A 47 43.557 -2.189 -3.605 1.00 0.00 H new ATOM 0 HG3 MET A 47 43.014 -3.048 -5.032 1.00 0.00 H new ATOM 0 HE1 MET A 47 44.334 -4.606 -1.122 1.00 0.00 H new ATOM 0 HE2 MET A 47 45.617 -3.590 -1.821 1.00 0.00 H new ATOM 0 HE3 MET A 47 43.955 -2.966 -1.698 1.00 0.00 H new ATOM 738 N LEU A 48 45.960 0.939 -4.907 1.00 0.00 N ATOM 739 CA LEU A 48 46.207 2.038 -3.925 1.00 0.00 C ATOM 740 C LEU A 48 45.870 3.400 -4.552 1.00 0.00 C ATOM 741 O LEU A 48 45.101 4.168 -4.004 1.00 0.00 O ATOM 742 CB LEU A 48 47.701 1.940 -3.602 1.00 0.00 C ATOM 743 CG LEU A 48 48.101 3.075 -2.657 1.00 0.00 C ATOM 744 CD1 LEU A 48 47.760 2.687 -1.217 1.00 0.00 C ATOM 745 CD2 LEU A 48 49.605 3.331 -2.775 1.00 0.00 C ATOM 0 H LEU A 48 46.539 0.974 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 48 45.589 1.947 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 48 47.921 0.977 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 48 48.286 1.996 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 48 47.556 3.980 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 48 48.045 3.496 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 48 46.688 2.506 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 48 48.303 1.782 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 48 49.890 4.140 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 48 50.150 2.426 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 48 49.847 3.610 -3.800 1.00 0.00 H new ATOM 757 N GLY A 49 46.440 3.704 -5.693 1.00 0.00 N ATOM 758 CA GLY A 49 46.155 5.012 -6.354 1.00 0.00 C ATOM 759 C GLY A 49 47.113 5.215 -7.530 1.00 0.00 C ATOM 760 O GLY A 49 48.316 5.252 -7.357 1.00 0.00 O ATOM 0 H GLY A 49 47.091 3.100 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 49 45.123 5.036 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 49 46.267 5.825 -5.637 1.00 0.00 H new ATOM 764 N GLN A 50 46.578 5.343 -8.725 1.00 0.00 N ATOM 765 CA GLN A 50 47.431 5.546 -9.948 1.00 0.00 C ATOM 766 C GLN A 50 48.395 4.365 -10.158 1.00 0.00 C ATOM 767 O GLN A 50 48.380 3.395 -9.424 1.00 0.00 O ATOM 768 CB GLN A 50 48.207 6.848 -9.699 1.00 0.00 C ATOM 769 CG GLN A 50 47.276 8.046 -9.908 1.00 0.00 C ATOM 770 CD GLN A 50 48.092 9.342 -9.904 1.00 0.00 C ATOM 771 OE1 GLN A 50 49.118 9.430 -10.548 1.00 0.00 O ATOM 772 NE2 GLN A 50 47.676 10.360 -9.204 1.00 0.00 N ATOM 0 H GLN A 50 45.575 5.315 -8.908 1.00 0.00 H new ATOM 0 HA GLN A 50 46.823 5.605 -10.851 1.00 0.00 H new ATOM 0 HB2 GLN A 50 48.607 6.857 -8.685 1.00 0.00 H new ATOM 0 HB3 GLN A 50 49.058 6.912 -10.378 1.00 0.00 H new ATOM 0 HG2 GLN A 50 46.743 7.944 -10.853 1.00 0.00 H new ATOM 0 HG3 GLN A 50 46.524 8.076 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 50 46.815 10.289 -8.662 1.00 0.00 H new ATOM 0 HE22 GLN A 50 48.212 11.228 -9.198 1.00 0.00 H new ATOM 781 N ASN A 51 49.229 4.441 -11.168 1.00 0.00 N ATOM 782 CA ASN A 51 50.192 3.328 -11.437 1.00 0.00 C ATOM 783 C ASN A 51 51.366 3.834 -12.295 1.00 0.00 C ATOM 784 O ASN A 51 51.213 4.055 -13.483 1.00 0.00 O ATOM 785 CB ASN A 51 49.377 2.273 -12.196 1.00 0.00 C ATOM 786 CG ASN A 51 50.060 0.910 -12.073 1.00 0.00 C ATOM 787 OD1 ASN A 51 51.106 0.688 -12.645 1.00 0.00 O ATOM 788 ND2 ASN A 51 49.508 -0.021 -11.348 1.00 0.00 N ATOM 0 H ASN A 51 49.284 5.226 -11.817 1.00 0.00 H new ATOM 0 HA ASN A 51 50.625 2.924 -10.522 1.00 0.00 H new ATOM 0 HB2 ASN A 51 48.365 2.222 -11.793 1.00 0.00 H new ATOM 0 HB3 ASN A 51 49.289 2.553 -13.246 1.00 0.00 H new ATOM 0 HD21 ASN A 51 49.956 -0.934 -11.263 1.00 0.00 H new ATOM 0 HD22 ASN A 51 48.628 0.163 -10.866 1.00 0.00 H new ATOM 795 N PRO A 52 52.504 4.004 -11.660 1.00 0.00 N ATOM 796 CA PRO A 52 53.713 4.488 -12.376 1.00 0.00 C ATOM 797 C PRO A 52 54.359 3.340 -13.167 1.00 0.00 C ATOM 798 O PRO A 52 54.048 2.182 -12.959 1.00 0.00 O ATOM 799 CB PRO A 52 54.629 4.958 -11.250 1.00 0.00 C ATOM 800 CG PRO A 52 54.210 4.176 -10.043 1.00 0.00 C ATOM 801 CD PRO A 52 52.769 3.768 -10.234 1.00 0.00 C ATOM 0 HA PRO A 52 53.500 5.274 -13.101 1.00 0.00 H new ATOM 0 HB2 PRO A 52 55.676 4.775 -11.493 1.00 0.00 H new ATOM 0 HB3 PRO A 52 54.524 6.029 -11.080 1.00 0.00 H new ATOM 0 HG2 PRO A 52 54.843 3.297 -9.919 1.00 0.00 H new ATOM 0 HG3 PRO A 52 54.320 4.778 -9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 52 52.615 2.722 -9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.103 4.358 -9.604 1.00 0.00 H new ATOM 809 N THR A 53 55.256 3.648 -14.071 1.00 0.00 N ATOM 810 CA THR A 53 55.918 2.565 -14.870 1.00 0.00 C ATOM 811 C THR A 53 56.936 1.803 -14.003 1.00 0.00 C ATOM 812 O THR A 53 57.285 2.248 -12.924 1.00 0.00 O ATOM 813 CB THR A 53 56.622 3.282 -16.031 1.00 0.00 C ATOM 814 OG1 THR A 53 57.481 4.292 -15.519 1.00 0.00 O ATOM 815 CG2 THR A 53 55.575 3.907 -16.957 1.00 0.00 C ATOM 0 H THR A 53 55.559 4.597 -14.291 1.00 0.00 H new ATOM 0 HA THR A 53 55.199 1.829 -15.230 1.00 0.00 H new ATOM 0 HB THR A 53 57.216 2.563 -16.595 1.00 0.00 H new ATOM 0 HG1 THR A 53 57.930 4.747 -16.262 1.00 0.00 H new ATOM 0 HG21 THR A 53 56.075 4.416 -17.781 1.00 0.00 H new ATOM 0 HG22 THR A 53 54.927 3.125 -17.353 1.00 0.00 H new ATOM 0 HG23 THR A 53 54.976 4.625 -16.397 1.00 0.00 H new ATOM 823 N PRO A 54 57.380 0.669 -14.504 1.00 0.00 N ATOM 824 CA PRO A 54 58.367 -0.167 -13.759 1.00 0.00 C ATOM 825 C PRO A 54 59.713 0.560 -13.621 1.00 0.00 C ATOM 826 O PRO A 54 60.336 0.523 -12.576 1.00 0.00 O ATOM 827 CB PRO A 54 58.494 -1.423 -14.623 1.00 0.00 C ATOM 828 CG PRO A 54 58.086 -0.985 -15.991 1.00 0.00 C ATOM 829 CD PRO A 54 57.022 0.061 -15.795 1.00 0.00 C ATOM 0 HA PRO A 54 58.055 -0.389 -12.739 1.00 0.00 H new ATOM 0 HB2 PRO A 54 59.515 -1.806 -14.618 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.852 -2.223 -14.255 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.936 -0.578 -16.539 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.704 -1.825 -16.571 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.026 0.795 -16.601 1.00 0.00 H new ATOM 0 HD3 PRO A 54 56.025 -0.379 -15.770 1.00 0.00 H new ATOM 837 N GLU A 55 60.157 1.228 -14.657 1.00 0.00 N ATOM 838 CA GLU A 55 61.456 1.965 -14.572 1.00 0.00 C ATOM 839 C GLU A 55 61.317 3.171 -13.633 1.00 0.00 C ATOM 840 O GLU A 55 62.266 3.570 -12.985 1.00 0.00 O ATOM 841 CB GLU A 55 61.762 2.433 -16.000 1.00 0.00 C ATOM 842 CG GLU A 55 62.488 1.323 -16.772 1.00 0.00 C ATOM 843 CD GLU A 55 63.812 0.980 -16.080 1.00 0.00 C ATOM 844 OE1 GLU A 55 64.735 1.772 -16.180 1.00 0.00 O ATOM 845 OE2 GLU A 55 63.880 -0.071 -15.465 1.00 0.00 O ATOM 0 H GLU A 55 59.678 1.295 -15.555 1.00 0.00 H new ATOM 0 HA GLU A 55 62.254 1.336 -14.177 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.836 2.697 -16.511 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.379 3.331 -15.973 1.00 0.00 H new ATOM 0 HG2 GLU A 55 61.857 0.436 -16.828 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.677 1.645 -17.796 1.00 0.00 H new ATOM 852 N GLU A 56 60.138 3.748 -13.550 1.00 0.00 N ATOM 853 CA GLU A 56 59.929 4.925 -12.647 1.00 0.00 C ATOM 854 C GLU A 56 60.355 4.578 -11.216 1.00 0.00 C ATOM 855 O GLU A 56 61.113 5.298 -10.594 1.00 0.00 O ATOM 856 CB GLU A 56 58.425 5.216 -12.699 1.00 0.00 C ATOM 857 CG GLU A 56 58.199 6.684 -13.070 1.00 0.00 C ATOM 858 CD GLU A 56 56.761 7.081 -12.733 1.00 0.00 C ATOM 859 OE1 GLU A 56 55.883 6.797 -13.532 1.00 0.00 O ATOM 860 OE2 GLU A 56 56.562 7.664 -11.680 1.00 0.00 O ATOM 0 H GLU A 56 59.312 3.453 -14.070 1.00 0.00 H new ATOM 0 HA GLU A 56 60.520 5.787 -12.958 1.00 0.00 H new ATOM 0 HB2 GLU A 56 57.944 4.567 -13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.969 5.000 -11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 56 58.899 7.319 -12.527 1.00 0.00 H new ATOM 0 HG3 GLU A 56 58.389 6.835 -14.133 1.00 0.00 H new ATOM 867 N LEU A 57 59.879 3.476 -10.693 1.00 0.00 N ATOM 868 CA LEU A 57 60.263 3.082 -9.303 1.00 0.00 C ATOM 869 C LEU A 57 61.675 2.478 -9.277 1.00 0.00 C ATOM 870 O LEU A 57 62.326 2.487 -8.253 1.00 0.00 O ATOM 871 CB LEU A 57 59.231 2.044 -8.858 1.00 0.00 C ATOM 872 CG LEU A 57 57.814 2.631 -8.971 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.906 1.668 -9.741 1.00 0.00 C ATOM 874 CD2 LEU A 57 57.239 2.856 -7.570 1.00 0.00 C ATOM 0 H LEU A 57 59.243 2.834 -11.166 1.00 0.00 H new ATOM 0 HA LEU A 57 60.276 3.946 -8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.313 1.149 -9.475 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.427 1.741 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 57 57.866 3.580 -9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.905 2.093 -9.815 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.309 1.510 -10.742 1.00 0.00 H new ATOM 0 HD13 LEU A 57 56.857 0.715 -9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 57 56.235 3.272 -7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 57 57.196 1.906 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 57 57.876 3.550 -7.022 1.00 0.00 H new ATOM 886 N GLN A 58 62.165 1.965 -10.388 1.00 0.00 N ATOM 887 CA GLN A 58 63.547 1.384 -10.392 1.00 0.00 C ATOM 888 C GLN A 58 64.559 2.478 -10.016 1.00 0.00 C ATOM 889 O GLN A 58 65.531 2.224 -9.336 1.00 0.00 O ATOM 890 CB GLN A 58 63.759 0.828 -11.817 1.00 0.00 C ATOM 891 CG GLN A 58 64.757 1.679 -12.616 1.00 0.00 C ATOM 892 CD GLN A 58 66.169 1.106 -12.458 1.00 0.00 C ATOM 893 OE1 GLN A 58 66.461 0.035 -12.949 1.00 0.00 O ATOM 894 NE2 GLN A 58 67.066 1.777 -11.791 1.00 0.00 N ATOM 0 H GLN A 58 61.672 1.925 -11.280 1.00 0.00 H new ATOM 0 HA GLN A 58 63.683 0.586 -9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 58 64.122 -0.198 -11.757 1.00 0.00 H new ATOM 0 HB3 GLN A 58 62.804 0.798 -12.342 1.00 0.00 H new ATOM 0 HG2 GLN A 58 64.476 1.693 -13.669 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.732 2.711 -12.265 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.825 2.677 -11.377 1.00 0.00 H new ATOM 0 HE22 GLN A 58 68.008 1.402 -11.684 1.00 0.00 H new ATOM 903 N GLU A 59 64.311 3.701 -10.420 1.00 0.00 N ATOM 904 CA GLU A 59 65.233 4.814 -10.046 1.00 0.00 C ATOM 905 C GLU A 59 64.920 5.250 -8.609 1.00 0.00 C ATOM 906 O GLU A 59 65.799 5.621 -7.855 1.00 0.00 O ATOM 907 CB GLU A 59 64.936 5.940 -11.042 1.00 0.00 C ATOM 908 CG GLU A 59 65.534 5.589 -12.409 1.00 0.00 C ATOM 909 CD GLU A 59 67.059 5.720 -12.358 1.00 0.00 C ATOM 910 OE1 GLU A 59 67.549 6.802 -12.634 1.00 0.00 O ATOM 911 OE2 GLU A 59 67.708 4.736 -12.046 1.00 0.00 O ATOM 0 H GLU A 59 63.511 3.974 -10.991 1.00 0.00 H new ATOM 0 HA GLU A 59 66.285 4.531 -10.084 1.00 0.00 H new ATOM 0 HB2 GLU A 59 63.859 6.085 -11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 59 65.356 6.879 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 59 65.256 4.572 -12.687 1.00 0.00 H new ATOM 0 HG3 GLU A 59 65.128 6.251 -13.174 1.00 0.00 H new ATOM 918 N MET A 60 63.664 5.179 -8.225 1.00 0.00 N ATOM 919 CA MET A 60 63.264 5.554 -6.834 1.00 0.00 C ATOM 920 C MET A 60 63.835 4.536 -5.835 1.00 0.00 C ATOM 921 O MET A 60 64.323 4.895 -4.780 1.00 0.00 O ATOM 922 CB MET A 60 61.732 5.504 -6.841 1.00 0.00 C ATOM 923 CG MET A 60 61.183 6.344 -5.686 1.00 0.00 C ATOM 924 SD MET A 60 59.573 5.691 -5.182 1.00 0.00 S ATOM 925 CE MET A 60 58.633 6.281 -6.611 1.00 0.00 C ATOM 0 H MET A 60 62.896 4.875 -8.823 1.00 0.00 H new ATOM 0 HA MET A 60 63.637 6.535 -6.539 1.00 0.00 H new ATOM 0 HB2 MET A 60 61.351 5.880 -7.790 1.00 0.00 H new ATOM 0 HB3 MET A 60 61.392 4.473 -6.747 1.00 0.00 H new ATOM 0 HG2 MET A 60 61.876 6.323 -4.845 1.00 0.00 H new ATOM 0 HG3 MET A 60 61.086 7.385 -5.993 1.00 0.00 H new ATOM 0 HE1 MET A 60 57.571 6.094 -6.450 1.00 0.00 H new ATOM 0 HE2 MET A 60 58.798 7.351 -6.738 1.00 0.00 H new ATOM 0 HE3 MET A 60 58.963 5.754 -7.506 1.00 0.00 H new ATOM 935 N ILE A 61 63.785 3.268 -6.173 1.00 0.00 N ATOM 936 CA ILE A 61 64.329 2.215 -5.261 1.00 0.00 C ATOM 937 C ILE A 61 65.862 2.339 -5.175 1.00 0.00 C ATOM 938 O ILE A 61 66.445 2.152 -4.127 1.00 0.00 O ATOM 939 CB ILE A 61 63.887 0.877 -5.889 1.00 0.00 C ATOM 940 CG1 ILE A 61 63.675 -0.164 -4.788 1.00 0.00 C ATOM 941 CG2 ILE A 61 64.941 0.361 -6.872 1.00 0.00 C ATOM 942 CD1 ILE A 61 62.659 -1.206 -5.266 1.00 0.00 C ATOM 0 H ILE A 61 63.389 2.918 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 61 63.962 2.303 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 61 62.955 1.044 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.620 -0.647 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.317 0.319 -3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 61 64.607 -0.583 -7.302 1.00 0.00 H new ATOM 0 HG22 ILE A 61 65.084 1.091 -7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 61 65.884 0.207 -6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.505 -1.950 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 61 61.712 -0.715 -5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.036 -1.696 -6.164 1.00 0.00 H new ATOM 954 N ASP A 62 66.510 2.675 -6.268 1.00 0.00 N ATOM 955 CA ASP A 62 67.999 2.835 -6.250 1.00 0.00 C ATOM 956 C ASP A 62 68.391 4.067 -5.420 1.00 0.00 C ATOM 957 O ASP A 62 69.426 4.088 -4.782 1.00 0.00 O ATOM 958 CB ASP A 62 68.404 3.021 -7.716 1.00 0.00 C ATOM 959 CG ASP A 62 68.912 1.692 -8.278 1.00 0.00 C ATOM 960 OD1 ASP A 62 68.088 0.862 -8.623 1.00 0.00 O ATOM 961 OD2 ASP A 62 70.118 1.529 -8.355 1.00 0.00 O ATOM 0 H ASP A 62 66.070 2.845 -7.172 1.00 0.00 H new ATOM 0 HA ASP A 62 68.498 1.977 -5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 62 67.552 3.372 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 62 69.180 3.782 -7.796 1.00 0.00 H new ATOM 966 N GLU A 63 67.565 5.090 -5.418 1.00 0.00 N ATOM 967 CA GLU A 63 67.877 6.321 -4.623 1.00 0.00 C ATOM 968 C GLU A 63 68.008 5.970 -3.133 1.00 0.00 C ATOM 969 O GLU A 63 68.917 6.417 -2.459 1.00 0.00 O ATOM 970 CB GLU A 63 66.681 7.253 -4.854 1.00 0.00 C ATOM 971 CG GLU A 63 66.903 8.577 -4.113 1.00 0.00 C ATOM 972 CD GLU A 63 65.934 8.673 -2.931 1.00 0.00 C ATOM 973 OE1 GLU A 63 66.288 8.212 -1.858 1.00 0.00 O ATOM 974 OE2 GLU A 63 64.854 9.206 -3.119 1.00 0.00 O ATOM 0 H GLU A 63 66.686 5.124 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 63 68.818 6.782 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 63 66.554 7.439 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 63 65.765 6.778 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 63 67.932 8.639 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 63 66.749 9.416 -4.792 1.00 0.00 H new ATOM 981 N VAL A 64 67.107 5.169 -2.620 1.00 0.00 N ATOM 982 CA VAL A 64 67.172 4.780 -1.177 1.00 0.00 C ATOM 983 C VAL A 64 67.704 3.340 -1.022 1.00 0.00 C ATOM 984 O VAL A 64 67.443 2.680 -0.034 1.00 0.00 O ATOM 985 CB VAL A 64 65.724 4.893 -0.674 1.00 0.00 C ATOM 986 CG1 VAL A 64 64.844 3.842 -1.360 1.00 0.00 C ATOM 987 CG2 VAL A 64 65.689 4.676 0.843 1.00 0.00 C ATOM 0 H VAL A 64 66.327 4.767 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 64 67.851 5.415 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 64 65.343 5.886 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 64 63.820 3.931 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.861 4.001 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.224 2.846 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 64 64.662 4.756 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 64 66.078 3.685 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 64 66.303 5.432 1.333 1.00 0.00 H new ATOM 997 N ASP A 65 68.451 2.851 -1.982 1.00 0.00 N ATOM 998 CA ASP A 65 68.993 1.462 -1.872 1.00 0.00 C ATOM 999 C ASP A 65 70.291 1.462 -1.058 1.00 0.00 C ATOM 1000 O ASP A 65 70.994 2.455 -0.994 1.00 0.00 O ATOM 1001 CB ASP A 65 69.256 1.013 -3.311 1.00 0.00 C ATOM 1002 CG ASP A 65 69.161 -0.508 -3.390 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.068 -1.004 -3.593 1.00 0.00 O ATOM 1004 OD2 ASP A 65 70.180 -1.157 -3.239 1.00 0.00 O ATOM 0 H ASP A 65 68.707 3.352 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 65 68.301 0.792 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.531 1.470 -3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 65 70.243 1.344 -3.633 1.00 0.00 H new ATOM 1009 N GLU A 66 70.607 0.362 -0.428 1.00 0.00 N ATOM 1010 CA GLU A 66 71.852 0.302 0.397 1.00 0.00 C ATOM 1011 C GLU A 66 72.809 -0.802 -0.090 1.00 0.00 C ATOM 1012 O GLU A 66 73.768 -1.124 0.587 1.00 0.00 O ATOM 1013 CB GLU A 66 71.359 -0.007 1.813 1.00 0.00 C ATOM 1014 CG GLU A 66 70.759 1.257 2.439 1.00 0.00 C ATOM 1015 CD GLU A 66 70.066 0.899 3.757 1.00 0.00 C ATOM 1016 OE1 GLU A 66 70.766 0.596 4.710 1.00 0.00 O ATOM 1017 OE2 GLU A 66 68.847 0.935 3.792 1.00 0.00 O ATOM 0 H GLU A 66 70.058 -0.498 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 66 72.417 1.232 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 66 70.611 -0.800 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 66 72.185 -0.371 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 66 71.542 1.994 2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 66 70.044 1.711 1.752 1.00 0.00 H new ATOM 1024 N ASP A 67 72.572 -1.389 -1.242 1.00 0.00 N ATOM 1025 CA ASP A 67 73.500 -2.471 -1.716 1.00 0.00 C ATOM 1026 C ASP A 67 73.657 -2.508 -3.249 1.00 0.00 C ATOM 1027 O ASP A 67 74.387 -3.331 -3.769 1.00 0.00 O ATOM 1028 CB ASP A 67 72.900 -3.783 -1.189 1.00 0.00 C ATOM 1029 CG ASP A 67 71.397 -3.817 -1.449 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.018 -3.869 -2.600 1.00 0.00 O ATOM 1031 OD2 ASP A 67 70.648 -3.784 -0.489 1.00 0.00 O ATOM 0 H ASP A 67 71.793 -1.172 -1.864 1.00 0.00 H new ATOM 0 HA ASP A 67 74.509 -2.295 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.380 -4.632 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 67 73.094 -3.877 -0.120 1.00 0.00 H new ATOM 1036 N GLY A 68 73.011 -1.632 -3.981 1.00 0.00 N ATOM 1037 CA GLY A 68 73.170 -1.645 -5.469 1.00 0.00 C ATOM 1038 C GLY A 68 72.140 -2.575 -6.127 1.00 0.00 C ATOM 1039 O GLY A 68 71.806 -2.399 -7.283 1.00 0.00 O ATOM 0 H GLY A 68 72.385 -0.914 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 68 73.053 -0.634 -5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 68 74.177 -1.972 -5.727 1.00 0.00 H new ATOM 1043 N SER A 69 71.634 -3.561 -5.415 1.00 0.00 N ATOM 1044 CA SER A 69 70.623 -4.489 -6.027 1.00 0.00 C ATOM 1045 C SER A 69 69.447 -3.693 -6.603 1.00 0.00 C ATOM 1046 O SER A 69 68.818 -4.110 -7.558 1.00 0.00 O ATOM 1047 CB SER A 69 70.146 -5.404 -4.889 1.00 0.00 C ATOM 1048 OG SER A 69 69.028 -4.811 -4.223 1.00 0.00 O ATOM 0 H SER A 69 71.876 -3.761 -4.444 1.00 0.00 H new ATOM 0 HA SER A 69 71.053 -5.064 -6.847 1.00 0.00 H new ATOM 0 HB2 SER A 69 69.867 -6.379 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 69 70.957 -5.569 -4.180 1.00 0.00 H new ATOM 0 HG SER A 69 69.343 -4.297 -3.450 1.00 0.00 H new ATOM 1054 N GLY A 70 69.143 -2.554 -6.028 1.00 0.00 N ATOM 1055 CA GLY A 70 68.000 -1.739 -6.547 1.00 0.00 C ATOM 1056 C GLY A 70 66.679 -2.436 -6.202 1.00 0.00 C ATOM 1057 O GLY A 70 65.769 -2.500 -7.006 1.00 0.00 O ATOM 0 H GLY A 70 69.633 -2.156 -5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 70 68.022 -0.741 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 70 68.088 -1.616 -7.626 1.00 0.00 H new ATOM 1061 N THR A 71 66.574 -2.959 -5.007 1.00 0.00 N ATOM 1062 CA THR A 71 65.320 -3.657 -4.579 1.00 0.00 C ATOM 1063 C THR A 71 65.054 -3.345 -3.104 1.00 0.00 C ATOM 1064 O THR A 71 65.970 -3.308 -2.308 1.00 0.00 O ATOM 1065 CB THR A 71 65.578 -5.164 -4.768 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.689 -5.374 -5.634 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.335 -5.824 -5.369 1.00 0.00 C ATOM 0 H THR A 71 67.310 -2.933 -4.301 1.00 0.00 H new ATOM 0 HA THR A 71 64.454 -3.336 -5.157 1.00 0.00 H new ATOM 0 HB THR A 71 65.799 -5.606 -3.796 1.00 0.00 H new ATOM 0 HG1 THR A 71 67.522 -5.241 -5.135 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.518 -6.890 -5.503 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.488 -5.682 -4.698 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.113 -5.370 -6.335 1.00 0.00 H new ATOM 1075 N VAL A 72 63.821 -3.104 -2.735 1.00 0.00 N ATOM 1076 CA VAL A 72 63.521 -2.770 -1.305 1.00 0.00 C ATOM 1077 C VAL A 72 63.580 -4.022 -0.419 1.00 0.00 C ATOM 1078 O VAL A 72 62.742 -4.902 -0.502 1.00 0.00 O ATOM 1079 CB VAL A 72 62.108 -2.168 -1.311 1.00 0.00 C ATOM 1080 CG1 VAL A 72 61.556 -2.110 0.117 1.00 0.00 C ATOM 1081 CG2 VAL A 72 62.161 -0.748 -1.881 1.00 0.00 C ATOM 0 H VAL A 72 63.012 -3.123 -3.356 1.00 0.00 H new ATOM 0 HA VAL A 72 64.254 -2.075 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 72 61.460 -2.793 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 72 60.554 -1.682 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 72 61.514 -3.117 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.207 -1.490 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 72 61.159 -0.320 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 72 62.815 -0.132 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 72 62.547 -0.779 -2.900 1.00 0.00 H new ATOM 1091 N ASP A 73 64.562 -4.087 0.442 1.00 0.00 N ATOM 1092 CA ASP A 73 64.692 -5.254 1.365 1.00 0.00 C ATOM 1093 C ASP A 73 63.870 -4.993 2.637 1.00 0.00 C ATOM 1094 O ASP A 73 63.148 -4.016 2.724 1.00 0.00 O ATOM 1095 CB ASP A 73 66.189 -5.340 1.691 1.00 0.00 C ATOM 1096 CG ASP A 73 66.978 -5.705 0.431 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.363 -4.797 -0.289 1.00 0.00 O ATOM 1098 OD2 ASP A 73 67.186 -6.885 0.209 1.00 0.00 O ATOM 0 H ASP A 73 65.286 -3.376 0.546 1.00 0.00 H new ATOM 0 HA ASP A 73 64.325 -6.182 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.539 -4.386 2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.359 -6.088 2.466 1.00 0.00 H new ATOM 1103 N PHE A 74 63.974 -5.847 3.625 1.00 0.00 N ATOM 1104 CA PHE A 74 63.194 -5.631 4.888 1.00 0.00 C ATOM 1105 C PHE A 74 63.618 -4.313 5.556 1.00 0.00 C ATOM 1106 O PHE A 74 62.789 -3.503 5.929 1.00 0.00 O ATOM 1107 CB PHE A 74 63.531 -6.828 5.785 1.00 0.00 C ATOM 1108 CG PHE A 74 62.837 -6.668 7.121 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.451 -6.848 7.215 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.577 -6.334 8.262 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.806 -6.692 8.449 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.932 -6.180 9.496 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.547 -6.359 9.589 1.00 0.00 C ATOM 0 H PHE A 74 64.561 -6.681 3.614 1.00 0.00 H new ATOM 0 HA PHE A 74 62.123 -5.560 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 74 63.214 -7.755 5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.609 -6.896 5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.879 -7.107 6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.646 -6.195 8.191 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.737 -6.829 8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 74 63.504 -5.923 10.376 1.00 0.00 H new ATOM 0 HZ PHE A 74 61.050 -6.240 10.540 1.00 0.00 H new ATOM 1123 N ASP A 75 64.901 -4.094 5.701 1.00 0.00 N ATOM 1124 CA ASP A 75 65.388 -2.831 6.338 1.00 0.00 C ATOM 1125 C ASP A 75 65.117 -1.630 5.419 1.00 0.00 C ATOM 1126 O ASP A 75 64.638 -0.602 5.860 1.00 0.00 O ATOM 1127 CB ASP A 75 66.894 -3.039 6.534 1.00 0.00 C ATOM 1128 CG ASP A 75 67.209 -3.119 8.028 1.00 0.00 C ATOM 1129 OD1 ASP A 75 66.923 -4.148 8.619 1.00 0.00 O ATOM 1130 OD2 ASP A 75 67.730 -2.151 8.556 1.00 0.00 O ATOM 0 H ASP A 75 65.635 -4.738 5.405 1.00 0.00 H new ATOM 0 HA ASP A 75 64.882 -2.622 7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.213 -3.954 6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.447 -2.218 6.079 1.00 0.00 H new ATOM 1135 N GLU A 76 65.407 -1.759 4.144 1.00 0.00 N ATOM 1136 CA GLU A 76 65.154 -0.630 3.191 1.00 0.00 C ATOM 1137 C GLU A 76 63.661 -0.266 3.189 1.00 0.00 C ATOM 1138 O GLU A 76 63.298 0.888 3.064 1.00 0.00 O ATOM 1139 CB GLU A 76 65.591 -1.154 1.819 1.00 0.00 C ATOM 1140 CG GLU A 76 66.896 -0.466 1.401 1.00 0.00 C ATOM 1141 CD GLU A 76 67.507 -1.194 0.202 1.00 0.00 C ATOM 1142 OE1 GLU A 76 66.878 -1.214 -0.841 1.00 0.00 O ATOM 1143 OE2 GLU A 76 68.600 -1.715 0.341 1.00 0.00 O ATOM 0 H GLU A 76 65.808 -2.597 3.723 1.00 0.00 H new ATOM 0 HA GLU A 76 65.699 0.273 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.733 -2.234 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 76 64.813 -0.962 1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 76 66.702 0.576 1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.599 -0.464 2.234 1.00 0.00 H new ATOM 1150 N PHE A 77 62.798 -1.243 3.347 1.00 0.00 N ATOM 1151 CA PHE A 77 61.329 -0.961 3.381 1.00 0.00 C ATOM 1152 C PHE A 77 61.005 -0.054 4.577 1.00 0.00 C ATOM 1153 O PHE A 77 60.265 0.903 4.455 1.00 0.00 O ATOM 1154 CB PHE A 77 60.669 -2.336 3.544 1.00 0.00 C ATOM 1155 CG PHE A 77 59.168 -2.216 3.397 1.00 0.00 C ATOM 1156 CD1 PHE A 77 58.611 -1.811 2.178 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.334 -2.517 4.480 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.222 -1.708 2.043 1.00 0.00 C ATOM 1159 CE2 PHE A 77 56.945 -2.415 4.345 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.389 -2.009 3.127 1.00 0.00 C ATOM 0 H PHE A 77 63.050 -2.226 3.454 1.00 0.00 H new ATOM 0 HA PHE A 77 60.976 -0.448 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.061 -3.026 2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 77 60.914 -2.751 4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.253 -1.578 1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 77 58.763 -2.828 5.421 1.00 0.00 H new ATOM 0 HE1 PHE A 77 56.793 -1.396 1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 77 56.302 -2.650 5.181 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.317 -1.928 3.023 1.00 0.00 H new ATOM 1170 N LEU A 78 61.574 -0.340 5.726 1.00 0.00 N ATOM 1171 CA LEU A 78 61.318 0.515 6.930 1.00 0.00 C ATOM 1172 C LEU A 78 61.915 1.913 6.710 1.00 0.00 C ATOM 1173 O LEU A 78 61.310 2.913 7.049 1.00 0.00 O ATOM 1174 CB LEU A 78 62.020 -0.196 8.097 1.00 0.00 C ATOM 1175 CG LEU A 78 61.356 -1.553 8.363 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.255 -2.392 9.274 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.003 -1.340 9.045 1.00 0.00 C ATOM 0 H LEU A 78 62.204 -1.127 5.881 1.00 0.00 H new ATOM 0 HA LEU A 78 60.254 0.644 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.075 -0.338 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 78 61.971 0.423 8.993 1.00 0.00 H new ATOM 0 HG LEU A 78 61.208 -2.072 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 78 61.783 -3.356 9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 78 63.219 -2.548 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 78 62.404 -1.870 10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 78 59.534 -2.306 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 78 60.150 -0.818 9.991 1.00 0.00 H new ATOM 0 HD23 LEU A 78 59.359 -0.744 8.398 1.00 0.00 H new ATOM 1189 N VAL A 79 63.094 1.986 6.132 1.00 0.00 N ATOM 1190 CA VAL A 79 63.734 3.318 5.871 1.00 0.00 C ATOM 1191 C VAL A 79 62.873 4.136 4.893 1.00 0.00 C ATOM 1192 O VAL A 79 62.781 5.345 4.997 1.00 0.00 O ATOM 1193 CB VAL A 79 65.104 2.989 5.256 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.631 4.191 4.465 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.093 2.654 6.374 1.00 0.00 C ATOM 0 H VAL A 79 63.641 1.180 5.830 1.00 0.00 H new ATOM 0 HA VAL A 79 63.834 3.917 6.776 1.00 0.00 H new ATOM 0 HB VAL A 79 64.996 2.137 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.602 3.946 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 79 64.931 4.436 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 79 65.736 5.047 5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.066 2.420 5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 79 66.189 3.509 7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.729 1.794 6.936 1.00 0.00 H new ATOM 1205 N MET A 80 62.241 3.484 3.949 1.00 0.00 N ATOM 1206 CA MET A 80 61.380 4.218 2.969 1.00 0.00 C ATOM 1207 C MET A 80 60.075 4.674 3.641 1.00 0.00 C ATOM 1208 O MET A 80 59.521 5.701 3.298 1.00 0.00 O ATOM 1209 CB MET A 80 61.091 3.203 1.859 1.00 0.00 C ATOM 1210 CG MET A 80 60.843 3.937 0.538 1.00 0.00 C ATOM 1211 SD MET A 80 61.621 3.017 -0.813 1.00 0.00 S ATOM 1212 CE MET A 80 60.199 2.994 -1.932 1.00 0.00 C ATOM 0 H MET A 80 62.284 2.474 3.814 1.00 0.00 H new ATOM 0 HA MET A 80 61.865 5.115 2.584 1.00 0.00 H new ATOM 0 HB2 MET A 80 61.932 2.517 1.753 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.220 2.602 2.121 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.772 4.034 0.358 1.00 0.00 H new ATOM 0 HG3 MET A 80 61.251 4.947 0.588 1.00 0.00 H new ATOM 0 HE1 MET A 80 60.465 2.464 -2.847 1.00 0.00 H new ATOM 0 HE2 MET A 80 59.364 2.487 -1.449 1.00 0.00 H new ATOM 0 HE3 MET A 80 59.911 4.017 -2.175 1.00 0.00 H new ATOM 1222 N MET A 81 59.585 3.918 4.597 1.00 0.00 N ATOM 1223 CA MET A 81 58.318 4.303 5.298 1.00 0.00 C ATOM 1224 C MET A 81 58.504 5.625 6.055 1.00 0.00 C ATOM 1225 O MET A 81 57.715 6.541 5.914 1.00 0.00 O ATOM 1226 CB MET A 81 58.034 3.157 6.277 1.00 0.00 C ATOM 1227 CG MET A 81 57.442 1.964 5.520 1.00 0.00 C ATOM 1228 SD MET A 81 55.842 2.433 4.811 1.00 0.00 S ATOM 1229 CE MET A 81 55.873 1.317 3.387 1.00 0.00 C ATOM 0 H MET A 81 60.010 3.049 4.922 1.00 0.00 H new ATOM 0 HA MET A 81 57.495 4.453 4.599 1.00 0.00 H new ATOM 0 HB2 MET A 81 58.954 2.860 6.780 1.00 0.00 H new ATOM 0 HB3 MET A 81 57.341 3.490 7.050 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.123 1.647 4.730 1.00 0.00 H new ATOM 0 HG3 MET A 81 57.319 1.117 6.194 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.695 1.886 2.475 1.00 0.00 H new ATOM 0 HE2 MET A 81 56.846 0.830 3.327 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.096 0.561 3.500 1.00 0.00 H new ATOM 1239 N VAL A 82 59.542 5.734 6.850 1.00 0.00 N ATOM 1240 CA VAL A 82 59.778 7.005 7.607 1.00 0.00 C ATOM 1241 C VAL A 82 60.120 8.150 6.635 1.00 0.00 C ATOM 1242 O VAL A 82 59.827 9.299 6.901 1.00 0.00 O ATOM 1243 CB VAL A 82 60.945 6.708 8.566 1.00 0.00 C ATOM 1244 CG1 VAL A 82 62.239 6.475 7.780 1.00 0.00 C ATOM 1245 CG2 VAL A 82 61.142 7.891 9.518 1.00 0.00 C ATOM 0 H VAL A 82 60.234 5.001 7.007 1.00 0.00 H new ATOM 0 HA VAL A 82 58.894 7.325 8.159 1.00 0.00 H new ATOM 0 HB VAL A 82 60.707 5.809 9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 82 63.054 6.266 8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 82 62.109 5.627 7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 82 62.477 7.366 7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 82 61.969 7.679 10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 82 61.367 8.788 8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 82 60.231 8.049 10.095 1.00 0.00 H new ATOM 1255 N ARG A 83 60.720 7.841 5.504 1.00 0.00 N ATOM 1256 CA ARG A 83 61.058 8.911 4.507 1.00 0.00 C ATOM 1257 C ARG A 83 59.785 9.672 4.110 1.00 0.00 C ATOM 1258 O ARG A 83 59.785 10.883 3.998 1.00 0.00 O ATOM 1259 CB ARG A 83 61.643 8.173 3.298 1.00 0.00 C ATOM 1260 CG ARG A 83 63.173 8.217 3.358 1.00 0.00 C ATOM 1261 CD ARG A 83 63.755 7.465 2.157 1.00 0.00 C ATOM 1262 NE ARG A 83 64.868 8.326 1.659 1.00 0.00 N ATOM 1263 CZ ARG A 83 66.109 7.980 1.865 1.00 0.00 C ATOM 1264 NH1 ARG A 83 66.566 7.888 3.082 1.00 0.00 N ATOM 1265 NH2 ARG A 83 66.894 7.741 0.853 1.00 0.00 N ATOM 0 H ARG A 83 60.989 6.896 5.230 1.00 0.00 H new ATOM 0 HA ARG A 83 61.761 9.641 4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.299 7.139 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.292 8.633 2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.518 9.251 3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.524 7.767 4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 83 64.119 6.480 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.001 7.311 1.385 1.00 0.00 H new ATOM 0 HE ARG A 83 64.658 9.188 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 83 65.954 8.086 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 83 67.536 7.618 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 83 66.538 7.824 -0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 83 67.864 7.470 1.013 1.00 0.00 H new ATOM 1279 N CYS A 84 58.695 8.966 3.919 1.00 0.00 N ATOM 1280 CA CYS A 84 57.409 9.640 3.555 1.00 0.00 C ATOM 1281 C CYS A 84 56.690 10.103 4.833 1.00 0.00 C ATOM 1282 O CYS A 84 56.036 11.130 4.849 1.00 0.00 O ATOM 1283 CB CYS A 84 56.586 8.576 2.819 1.00 0.00 C ATOM 1284 SG CYS A 84 57.377 8.186 1.238 1.00 0.00 S ATOM 0 H CYS A 84 58.641 7.951 4.000 1.00 0.00 H new ATOM 0 HA CYS A 84 57.561 10.522 2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 84 56.506 7.676 3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 84 55.572 8.938 2.651 1.00 0.00 H new ATOM 0 HG CYS A 84 56.680 7.282 0.615 1.00 0.00 H new ATOM 1290 N MET A 85 56.819 9.356 5.905 1.00 0.00 N ATOM 1291 CA MET A 85 56.161 9.746 7.191 1.00 0.00 C ATOM 1292 C MET A 85 57.099 10.655 8.004 1.00 0.00 C ATOM 1293 O MET A 85 57.819 10.200 8.875 1.00 0.00 O ATOM 1294 CB MET A 85 55.912 8.421 7.924 1.00 0.00 C ATOM 1295 CG MET A 85 55.143 8.685 9.223 1.00 0.00 C ATOM 1296 SD MET A 85 55.343 7.276 10.344 1.00 0.00 S ATOM 1297 CE MET A 85 57.063 7.591 10.816 1.00 0.00 C ATOM 0 H MET A 85 57.355 8.489 5.943 1.00 0.00 H new ATOM 0 HA MET A 85 55.236 10.302 7.038 1.00 0.00 H new ATOM 0 HB2 MET A 85 55.345 7.743 7.286 1.00 0.00 H new ATOM 0 HB3 MET A 85 56.861 7.933 8.145 1.00 0.00 H new ATOM 0 HG2 MET A 85 55.511 9.595 9.697 1.00 0.00 H new ATOM 0 HG3 MET A 85 54.087 8.843 9.006 1.00 0.00 H new ATOM 0 HE1 MET A 85 57.235 7.225 11.828 1.00 0.00 H new ATOM 0 HE2 MET A 85 57.730 7.075 10.125 1.00 0.00 H new ATOM 0 HE3 MET A 85 57.260 8.662 10.779 1.00 0.00 H new ATOM 1475 N SER B 149 52.680 7.308 1.028 1.00 0.00 N ATOM 1476 CA SER B 149 52.814 7.284 2.524 1.00 0.00 C ATOM 1477 C SER B 149 52.864 5.837 3.044 1.00 0.00 C ATOM 1478 O SER B 149 53.158 4.914 2.307 1.00 0.00 O ATOM 1479 CB SER B 149 51.572 8.014 3.051 1.00 0.00 C ATOM 1480 OG SER B 149 51.751 8.318 4.429 1.00 0.00 O ATOM 0 HA SER B 149 53.735 7.761 2.858 1.00 0.00 H new ATOM 0 HB2 SER B 149 51.407 8.930 2.484 1.00 0.00 H new ATOM 0 HB3 SER B 149 50.687 7.392 2.917 1.00 0.00 H new ATOM 0 HG SER B 149 50.982 7.989 4.939 1.00 0.00 H new ATOM 1486 N ALA B 150 52.583 5.635 4.308 1.00 0.00 N ATOM 1487 CA ALA B 150 52.614 4.252 4.877 1.00 0.00 C ATOM 1488 C ALA B 150 51.194 3.789 5.237 1.00 0.00 C ATOM 1489 O ALA B 150 50.816 2.667 4.964 1.00 0.00 O ATOM 1490 CB ALA B 150 53.482 4.360 6.134 1.00 0.00 C ATOM 0 H ALA B 150 52.333 6.369 4.971 1.00 0.00 H new ATOM 0 HA ALA B 150 53.011 3.524 4.169 1.00 0.00 H new ATOM 0 HB1 ALA B 150 53.554 3.383 6.611 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.479 4.704 5.859 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.031 5.070 6.827 1.00 0.00 H new ATOM 1496 N ASP B 151 50.411 4.648 5.849 1.00 0.00 N ATOM 1497 CA ASP B 151 49.014 4.268 6.237 1.00 0.00 C ATOM 1498 C ASP B 151 48.192 3.832 5.010 1.00 0.00 C ATOM 1499 O ASP B 151 47.468 2.856 5.064 1.00 0.00 O ATOM 1500 CB ASP B 151 48.419 5.530 6.890 1.00 0.00 C ATOM 1501 CG ASP B 151 48.265 6.652 5.856 1.00 0.00 C ATOM 1502 OD1 ASP B 151 49.275 7.217 5.465 1.00 0.00 O ATOM 1503 OD2 ASP B 151 47.141 6.925 5.472 1.00 0.00 O ATOM 0 H ASP B 151 50.681 5.600 6.097 1.00 0.00 H new ATOM 0 HA ASP B 151 49.001 3.417 6.918 1.00 0.00 H new ATOM 0 HB2 ASP B 151 47.449 5.296 7.328 1.00 0.00 H new ATOM 0 HB3 ASP B 151 49.064 5.864 7.703 1.00 0.00 H new ATOM 1508 N ALA B 152 48.300 4.538 3.907 1.00 0.00 N ATOM 1509 CA ALA B 152 47.523 4.150 2.685 1.00 0.00 C ATOM 1510 C ALA B 152 47.880 2.718 2.261 1.00 0.00 C ATOM 1511 O ALA B 152 47.011 1.892 2.053 1.00 0.00 O ATOM 1512 CB ALA B 152 47.932 5.159 1.605 1.00 0.00 C ATOM 0 H ALA B 152 48.890 5.363 3.801 1.00 0.00 H new ATOM 0 HA ALA B 152 46.447 4.167 2.860 1.00 0.00 H new ATOM 0 HB1 ALA B 152 47.401 4.936 0.679 1.00 0.00 H new ATOM 0 HB2 ALA B 152 47.680 6.167 1.935 1.00 0.00 H new ATOM 0 HB3 ALA B 152 49.006 5.092 1.432 1.00 0.00 H new ATOM 1518 N MET B 153 49.151 2.416 2.150 1.00 0.00 N ATOM 1519 CA MET B 153 49.565 1.032 1.757 1.00 0.00 C ATOM 1520 C MET B 153 49.225 0.045 2.883 1.00 0.00 C ATOM 1521 O MET B 153 48.832 -1.078 2.632 1.00 0.00 O ATOM 1522 CB MET B 153 51.080 1.105 1.544 1.00 0.00 C ATOM 1523 CG MET B 153 51.432 0.525 0.172 1.00 0.00 C ATOM 1524 SD MET B 153 53.186 0.807 -0.166 1.00 0.00 S ATOM 1525 CE MET B 153 53.049 1.046 -1.956 1.00 0.00 C ATOM 0 H MET B 153 49.919 3.067 2.314 1.00 0.00 H new ATOM 0 HA MET B 153 49.051 0.687 0.860 1.00 0.00 H new ATOM 0 HB2 MET B 153 51.418 2.139 1.611 1.00 0.00 H new ATOM 0 HB3 MET B 153 51.595 0.550 2.328 1.00 0.00 H new ATOM 0 HG2 MET B 153 51.213 -0.542 0.149 1.00 0.00 H new ATOM 0 HG3 MET B 153 50.822 0.993 -0.600 1.00 0.00 H new ATOM 0 HE1 MET B 153 54.025 1.308 -2.364 1.00 0.00 H new ATOM 0 HE2 MET B 153 52.697 0.125 -2.420 1.00 0.00 H new ATOM 0 HE3 MET B 153 52.342 1.850 -2.163 1.00 0.00 H new ATOM 1535 N MET B 154 49.365 0.462 4.119 1.00 0.00 N ATOM 1536 CA MET B 154 49.042 -0.442 5.268 1.00 0.00 C ATOM 1537 C MET B 154 47.561 -0.839 5.225 1.00 0.00 C ATOM 1538 O MET B 154 47.220 -1.999 5.344 1.00 0.00 O ATOM 1539 CB MET B 154 49.339 0.381 6.527 1.00 0.00 C ATOM 1540 CG MET B 154 50.796 0.172 6.945 1.00 0.00 C ATOM 1541 SD MET B 154 50.993 0.607 8.690 1.00 0.00 S ATOM 1542 CE MET B 154 52.266 -0.617 9.083 1.00 0.00 C ATOM 0 H MET B 154 49.690 1.392 4.382 1.00 0.00 H new ATOM 0 HA MET B 154 49.623 -1.364 5.241 1.00 0.00 H new ATOM 0 HB2 MET B 154 49.153 1.438 6.335 1.00 0.00 H new ATOM 0 HB3 MET B 154 48.672 0.082 7.335 1.00 0.00 H new ATOM 0 HG2 MET B 154 51.086 -0.866 6.783 1.00 0.00 H new ATOM 0 HG3 MET B 154 51.453 0.786 6.330 1.00 0.00 H new ATOM 0 HE1 MET B 154 53.063 -0.142 9.656 1.00 0.00 H new ATOM 0 HE2 MET B 154 51.827 -1.423 9.671 1.00 0.00 H new ATOM 0 HE3 MET B 154 52.676 -1.025 8.159 1.00 0.00 H new ATOM 1552 N GLN B 155 46.683 0.117 5.046 1.00 0.00 N ATOM 1553 CA GLN B 155 45.218 -0.194 4.987 1.00 0.00 C ATOM 1554 C GLN B 155 44.894 -1.095 3.780 1.00 0.00 C ATOM 1555 O GLN B 155 43.946 -1.856 3.808 1.00 0.00 O ATOM 1556 CB GLN B 155 44.529 1.167 4.837 1.00 0.00 C ATOM 1557 CG GLN B 155 44.170 1.724 6.221 1.00 0.00 C ATOM 1558 CD GLN B 155 44.874 3.067 6.437 1.00 0.00 C ATOM 1559 OE1 GLN B 155 45.544 3.259 7.431 1.00 0.00 O ATOM 1560 NE2 GLN B 155 44.753 4.012 5.545 1.00 0.00 N ATOM 0 H GLN B 155 46.917 1.104 4.938 1.00 0.00 H new ATOM 0 HA GLN B 155 44.883 -0.732 5.874 1.00 0.00 H new ATOM 0 HB2 GLN B 155 45.186 1.862 4.315 1.00 0.00 H new ATOM 0 HB3 GLN B 155 43.628 1.064 4.232 1.00 0.00 H new ATOM 0 HG2 GLN B 155 43.091 1.851 6.303 1.00 0.00 H new ATOM 0 HG3 GLN B 155 44.468 1.018 6.996 1.00 0.00 H new ATOM 0 HE21 GLN B 155 44.191 3.855 4.708 1.00 0.00 H new ATOM 0 HE22 GLN B 155 45.220 4.908 5.684 1.00 0.00 H new ATOM 1569 N ALA B 156 45.666 -1.008 2.722 1.00 0.00 N ATOM 1570 CA ALA B 156 45.393 -1.851 1.511 1.00 0.00 C ATOM 1571 C ALA B 156 46.123 -3.206 1.583 1.00 0.00 C ATOM 1572 O ALA B 156 45.737 -4.153 0.926 1.00 0.00 O ATOM 1573 CB ALA B 156 45.914 -1.024 0.333 1.00 0.00 C ATOM 0 H ALA B 156 46.474 -0.390 2.644 1.00 0.00 H new ATOM 0 HA ALA B 156 44.333 -2.088 1.421 1.00 0.00 H new ATOM 0 HB1 ALA B 156 45.752 -1.571 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA B 156 45.382 -0.074 0.292 1.00 0.00 H new ATOM 0 HB3 ALA B 156 46.980 -0.837 0.463 1.00 0.00 H new ATOM 1579 N LEU B 157 47.175 -3.309 2.359 1.00 0.00 N ATOM 1580 CA LEU B 157 47.920 -4.607 2.448 1.00 0.00 C ATOM 1581 C LEU B 157 47.511 -5.398 3.701 1.00 0.00 C ATOM 1582 O LEU B 157 47.310 -6.596 3.642 1.00 0.00 O ATOM 1583 CB LEU B 157 49.399 -4.215 2.523 1.00 0.00 C ATOM 1584 CG LEU B 157 49.967 -4.073 1.109 1.00 0.00 C ATOM 1585 CD1 LEU B 157 51.221 -3.200 1.148 1.00 0.00 C ATOM 1586 CD2 LEU B 157 50.329 -5.457 0.563 1.00 0.00 C ATOM 0 H LEU B 157 47.550 -2.554 2.933 1.00 0.00 H new ATOM 0 HA LEU B 157 47.705 -5.251 1.595 1.00 0.00 H new ATOM 0 HB2 LEU B 157 49.509 -3.276 3.066 1.00 0.00 H new ATOM 0 HB3 LEU B 157 49.958 -4.970 3.076 1.00 0.00 H new ATOM 0 HG LEU B 157 49.221 -3.610 0.464 1.00 0.00 H new ATOM 0 HD11 LEU B 157 51.625 -3.099 0.141 1.00 0.00 H new ATOM 0 HD12 LEU B 157 50.966 -2.214 1.537 1.00 0.00 H new ATOM 0 HD13 LEU B 157 51.967 -3.663 1.794 1.00 0.00 H new ATOM 0 HD21 LEU B 157 50.734 -5.356 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU B 157 51.075 -5.919 1.209 1.00 0.00 H new ATOM 0 HD23 LEU B 157 49.436 -6.082 0.535 1.00 0.00 H new ATOM 1598 N LEU B 158 47.391 -4.744 4.831 1.00 0.00 N ATOM 1599 CA LEU B 158 47.002 -5.469 6.084 1.00 0.00 C ATOM 1600 C LEU B 158 45.501 -5.782 6.079 1.00 0.00 C ATOM 1601 O LEU B 158 44.673 -4.907 6.251 1.00 0.00 O ATOM 1602 CB LEU B 158 47.347 -4.513 7.233 1.00 0.00 C ATOM 1603 CG LEU B 158 48.833 -4.634 7.584 1.00 0.00 C ATOM 1604 CD1 LEU B 158 49.661 -3.768 6.633 1.00 0.00 C ATOM 1605 CD2 LEU B 158 49.054 -4.162 9.022 1.00 0.00 C ATOM 0 H LEU B 158 47.545 -3.742 4.941 1.00 0.00 H new ATOM 0 HA LEU B 158 47.524 -6.421 6.179 1.00 0.00 H new ATOM 0 HB2 LEU B 158 47.115 -3.487 6.946 1.00 0.00 H new ATOM 0 HB3 LEU B 158 46.738 -4.746 8.107 1.00 0.00 H new ATOM 0 HG LEU B 158 49.143 -5.674 7.487 1.00 0.00 H new ATOM 0 HD11 LEU B 158 50.717 -3.857 6.886 1.00 0.00 H new ATOM 0 HD12 LEU B 158 49.504 -4.102 5.607 1.00 0.00 H new ATOM 0 HD13 LEU B 158 49.352 -2.727 6.727 1.00 0.00 H new ATOM 0 HD21 LEU B 158 50.111 -4.247 9.274 1.00 0.00 H new ATOM 0 HD22 LEU B 158 48.741 -3.122 9.116 1.00 0.00 H new ATOM 0 HD23 LEU B 158 48.468 -4.780 9.702 1.00 0.00 H new