USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 415 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 Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.0127 (180deg=-0.164) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 62:sc= 1.16 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 70:sc= 0.762 USER MOD Single : A 34 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.31) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0869 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -49:sc= 0.937 USER MOD Single : A 60 MET CE :methyl -145:sc= 0 (180deg=-0.571) USER MOD Single : A 61 SER OG : rot 180:sc= -1.17 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -170:sc= -0.976 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.838 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 15 76.674 6.995 7.129 1.00 0.00 N ATOM 36 CA LEU A 15 77.410 5.931 7.806 1.00 0.00 C ATOM 37 C LEU A 15 78.614 5.475 6.985 1.00 0.00 C ATOM 38 O LEU A 15 79.756 5.578 7.431 1.00 0.00 O ATOM 39 CB LEU A 15 76.487 4.741 8.074 1.00 0.00 C ATOM 40 CG LEU A 15 75.135 5.096 8.697 1.00 0.00 C ATOM 41 CD1 LEU A 15 74.097 4.036 8.357 1.00 0.00 C ATOM 42 CD2 LEU A 15 75.267 5.253 10.204 1.00 0.00 C ATOM 0 HA LEU A 15 77.775 6.330 8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.310 4.219 7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.002 4.043 8.734 1.00 0.00 H new ATOM 0 HG LEU A 15 74.803 6.047 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 15 73.142 4.304 8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 15 73.982 3.973 7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 15 74.423 3.071 8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 15 74.296 5.505 10.630 1.00 0.00 H new ATOM 0 HD22 LEU A 15 75.621 4.318 10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 15 75.978 6.048 10.426 1.00 0.00 H new ATOM 54 N THR A 16 78.348 4.961 5.787 1.00 0.00 N ATOM 55 CA THR A 16 79.407 4.474 4.904 1.00 0.00 C ATOM 56 C THR A 16 80.543 5.485 4.775 1.00 0.00 C ATOM 57 O THR A 16 81.695 5.110 4.557 1.00 0.00 O ATOM 58 CB THR A 16 78.838 4.154 3.520 1.00 0.00 C ATOM 59 OG1 THR A 16 77.760 3.242 3.619 1.00 0.00 O ATOM 60 CG2 THR A 16 79.860 3.557 2.576 1.00 0.00 C ATOM 0 H THR A 16 77.407 4.870 5.404 1.00 0.00 H new ATOM 0 HA THR A 16 79.813 3.566 5.349 1.00 0.00 H new ATOM 0 HB THR A 16 78.509 5.111 3.115 1.00 0.00 H new ATOM 0 HG1 THR A 16 77.409 3.052 2.724 1.00 0.00 H new ATOM 0 HG21 THR A 16 79.391 3.354 1.613 1.00 0.00 H new ATOM 0 HG22 THR A 16 80.682 4.259 2.438 1.00 0.00 H new ATOM 0 HG23 THR A 16 80.244 2.627 2.996 1.00 0.00 H new ATOM 68 N GLN A 17 80.217 6.765 4.913 1.00 0.00 N ATOM 69 CA GLN A 17 81.221 7.816 4.812 1.00 0.00 C ATOM 70 C GLN A 17 82.297 7.635 5.876 1.00 0.00 C ATOM 71 O GLN A 17 83.471 7.448 5.560 1.00 0.00 O ATOM 72 CB GLN A 17 80.573 9.195 4.955 1.00 0.00 C ATOM 73 CG GLN A 17 81.427 10.328 4.407 1.00 0.00 C ATOM 74 CD GLN A 17 80.661 11.631 4.292 1.00 0.00 C ATOM 75 OE1 GLN A 17 80.263 12.221 5.297 1.00 0.00 O ATOM 76 NE2 GLN A 17 80.451 12.088 3.063 1.00 0.00 N ATOM 0 H GLN A 17 79.270 7.098 5.094 1.00 0.00 H new ATOM 0 HA GLN A 17 81.685 7.746 3.828 1.00 0.00 H new ATOM 0 HB2 GLN A 17 79.613 9.192 4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 17 80.367 9.383 6.009 1.00 0.00 H new ATOM 0 HG2 GLN A 17 82.290 10.474 5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 17 81.810 10.048 3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 17 80.799 11.566 2.259 1.00 0.00 H new ATOM 0 HE22 GLN A 17 79.942 12.961 2.923 1.00 0.00 H new ATOM 85 N VAL A 18 81.884 7.685 7.139 1.00 0.00 N ATOM 86 CA VAL A 18 82.807 7.523 8.257 1.00 0.00 C ATOM 87 C VAL A 18 83.573 6.210 8.148 1.00 0.00 C ATOM 88 O VAL A 18 84.744 6.125 8.518 1.00 0.00 O ATOM 89 CB VAL A 18 82.060 7.552 9.602 1.00 0.00 C ATOM 90 CG1 VAL A 18 83.044 7.549 10.762 1.00 0.00 C ATOM 91 CG2 VAL A 18 81.137 8.761 9.676 1.00 0.00 C ATOM 0 H VAL A 18 80.914 7.837 7.414 1.00 0.00 H new ATOM 0 HA VAL A 18 83.508 8.356 8.216 1.00 0.00 H new ATOM 0 HB VAL A 18 81.448 6.653 9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.496 7.570 11.704 1.00 0.00 H new ATOM 0 HG12 VAL A 18 83.656 6.648 10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 18 83.686 8.427 10.697 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.618 8.764 10.634 1.00 0.00 H new ATOM 0 HG22 VAL A 18 81.725 9.674 9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 18 80.407 8.712 8.868 1.00 0.00 H new ATOM 101 N LYS A 19 82.901 5.190 7.630 1.00 0.00 N ATOM 102 CA LYS A 19 83.508 3.876 7.462 1.00 0.00 C ATOM 103 C LYS A 19 84.678 3.954 6.498 1.00 0.00 C ATOM 104 O LYS A 19 85.818 3.657 6.854 1.00 0.00 O ATOM 105 CB LYS A 19 82.478 2.890 6.928 1.00 0.00 C ATOM 106 CG LYS A 19 81.339 2.614 7.896 1.00 0.00 C ATOM 107 CD LYS A 19 80.372 1.581 7.340 1.00 0.00 C ATOM 108 CE LYS A 19 80.855 0.166 7.609 1.00 0.00 C ATOM 109 NZ LYS A 19 80.719 -0.204 9.044 1.00 0.00 N ATOM 0 H LYS A 19 81.932 5.248 7.318 1.00 0.00 H new ATOM 0 HA LYS A 19 83.867 3.535 8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 19 82.066 3.277 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 19 82.977 1.950 6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 19 81.744 2.261 8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 19 80.804 3.541 8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 19 79.389 1.723 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 19 80.257 1.729 6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 19 80.285 -0.534 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 19 81.899 0.075 7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 80.796 -1.236 9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 81.473 0.255 9.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 79.793 0.110 9.397 1.00 0.00 H new ATOM 123 N GLU A 20 84.382 4.367 5.275 1.00 0.00 N ATOM 124 CA GLU A 20 85.408 4.501 4.251 1.00 0.00 C ATOM 125 C GLU A 20 86.463 5.508 4.693 1.00 0.00 C ATOM 126 O GLU A 20 87.585 5.510 4.186 1.00 0.00 O ATOM 127 CB GLU A 20 84.784 4.937 2.924 1.00 0.00 C ATOM 128 CG GLU A 20 83.702 3.993 2.423 1.00 0.00 C ATOM 129 CD GLU A 20 84.245 2.918 1.502 1.00 0.00 C ATOM 130 OE1 GLU A 20 84.935 3.270 0.522 1.00 0.00 O ATOM 131 OE2 GLU A 20 83.979 1.726 1.759 1.00 0.00 O ATOM 0 H GLU A 20 83.442 4.615 4.967 1.00 0.00 H new ATOM 0 HA GLU A 20 85.885 3.532 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 20 84.359 5.934 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 20 85.568 5.011 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 20 83.213 3.522 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 20 82.940 4.567 1.895 1.00 0.00 H new ATOM 138 N SER A 21 86.094 6.361 5.644 1.00 0.00 N ATOM 139 CA SER A 21 86.999 7.372 6.161 1.00 0.00 C ATOM 140 C SER A 21 87.969 6.773 7.172 1.00 0.00 C ATOM 141 O SER A 21 89.186 6.866 7.011 1.00 0.00 O ATOM 142 CB SER A 21 86.186 8.484 6.810 1.00 0.00 C ATOM 143 OG SER A 21 86.564 9.756 6.312 1.00 0.00 O ATOM 0 H SER A 21 85.168 6.368 6.072 1.00 0.00 H new ATOM 0 HA SER A 21 87.585 7.776 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.125 8.318 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 21 86.327 8.457 7.891 1.00 0.00 H new ATOM 0 HG SER A 21 86.025 10.450 6.745 1.00 0.00 H new ATOM 149 N LEU A 22 87.423 6.159 8.217 1.00 0.00 N ATOM 150 CA LEU A 22 88.245 5.547 9.252 1.00 0.00 C ATOM 151 C LEU A 22 89.078 4.415 8.666 1.00 0.00 C ATOM 152 O LEU A 22 90.204 4.170 9.098 1.00 0.00 O ATOM 153 CB LEU A 22 87.371 5.025 10.395 1.00 0.00 C ATOM 154 CG LEU A 22 86.518 3.800 10.057 1.00 0.00 C ATOM 155 CD1 LEU A 22 87.243 2.521 10.444 1.00 0.00 C ATOM 156 CD2 LEU A 22 85.169 3.882 10.758 1.00 0.00 C ATOM 0 H LEU A 22 86.418 6.073 8.368 1.00 0.00 H new ATOM 0 HA LEU A 22 88.918 6.306 9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 22 88.015 4.778 11.239 1.00 0.00 H new ATOM 0 HB3 LEU A 22 86.711 5.828 10.722 1.00 0.00 H new ATOM 0 HG LEU A 22 86.348 3.785 8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 22 86.621 1.661 10.196 1.00 0.00 H new ATOM 0 HD12 LEU A 22 88.185 2.457 9.899 1.00 0.00 H new ATOM 0 HD13 LEU A 22 87.444 2.527 11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 22 84.575 3.003 10.507 1.00 0.00 H new ATOM 0 HD22 LEU A 22 85.321 3.921 11.837 1.00 0.00 H new ATOM 0 HD23 LEU A 22 84.644 4.780 10.433 1.00 0.00 H new ATOM 168 N SER A 23 88.519 3.731 7.674 1.00 0.00 N ATOM 169 CA SER A 23 89.216 2.629 7.023 1.00 0.00 C ATOM 170 C SER A 23 90.404 3.143 6.226 1.00 0.00 C ATOM 171 O SER A 23 91.471 2.531 6.217 1.00 0.00 O ATOM 172 CB SER A 23 88.263 1.856 6.109 1.00 0.00 C ATOM 173 OG SER A 23 88.809 0.598 5.750 1.00 0.00 O ATOM 0 H SER A 23 87.587 3.920 7.304 1.00 0.00 H new ATOM 0 HA SER A 23 89.582 1.954 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 23 87.308 1.711 6.614 1.00 0.00 H new ATOM 0 HB3 SER A 23 88.063 2.439 5.210 1.00 0.00 H new ATOM 0 HG SER A 23 88.181 0.123 5.167 1.00 0.00 H new ATOM 178 N SER A 24 90.215 4.278 5.566 1.00 0.00 N ATOM 179 CA SER A 24 91.279 4.879 4.775 1.00 0.00 C ATOM 180 C SER A 24 92.413 5.347 5.674 1.00 0.00 C ATOM 181 O SER A 24 93.581 5.317 5.285 1.00 0.00 O ATOM 182 CB SER A 24 90.749 6.057 3.963 1.00 0.00 C ATOM 183 OG SER A 24 89.766 5.638 3.033 1.00 0.00 O ATOM 0 H SER A 24 89.338 4.799 5.563 1.00 0.00 H new ATOM 0 HA SER A 24 91.657 4.120 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 24 90.323 6.803 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 24 91.572 6.537 3.434 1.00 0.00 H new ATOM 0 HG SER A 24 89.006 5.249 3.514 1.00 0.00 H new ATOM 189 N TYR A 25 92.063 5.767 6.887 1.00 0.00 N ATOM 190 CA TYR A 25 93.042 6.229 7.849 1.00 0.00 C ATOM 191 C TYR A 25 94.102 5.159 8.068 1.00 0.00 C ATOM 192 O TYR A 25 95.289 5.454 8.201 1.00 0.00 O ATOM 193 CB TYR A 25 92.330 6.552 9.154 1.00 0.00 C ATOM 194 CG TYR A 25 92.781 7.846 9.793 1.00 0.00 C ATOM 195 CD1 TYR A 25 92.684 9.052 9.109 1.00 0.00 C ATOM 196 CD2 TYR A 25 93.305 7.862 11.080 1.00 0.00 C ATOM 197 CE1 TYR A 25 93.097 10.236 9.690 1.00 0.00 C ATOM 198 CE2 TYR A 25 93.721 9.042 11.667 1.00 0.00 C ATOM 199 CZ TYR A 25 93.614 10.225 10.968 1.00 0.00 C ATOM 200 OH TYR A 25 94.028 11.403 11.548 1.00 0.00 O ATOM 0 H TYR A 25 91.100 5.794 7.222 1.00 0.00 H new ATOM 0 HA TYR A 25 93.537 7.125 7.476 1.00 0.00 H new ATOM 0 HB2 TYR A 25 91.257 6.604 8.968 1.00 0.00 H new ATOM 0 HB3 TYR A 25 92.492 5.735 9.857 1.00 0.00 H new ATOM 0 HD1 TYR A 25 92.280 9.064 8.108 1.00 0.00 H new ATOM 0 HD2 TYR A 25 93.389 6.937 11.631 1.00 0.00 H new ATOM 0 HE1 TYR A 25 93.015 11.165 9.146 1.00 0.00 H new ATOM 0 HE2 TYR A 25 94.128 9.037 12.668 1.00 0.00 H new ATOM 0 HH TYR A 25 94.366 11.223 12.450 1.00 0.00 H new ATOM 210 N TRP A 26 93.652 3.910 8.085 1.00 0.00 N ATOM 211 CA TRP A 26 94.540 2.772 8.271 1.00 0.00 C ATOM 212 C TRP A 26 94.850 2.102 6.933 1.00 0.00 C ATOM 213 O TRP A 26 95.795 1.320 6.828 1.00 0.00 O ATOM 214 CB TRP A 26 93.909 1.757 9.226 1.00 0.00 C ATOM 215 CG TRP A 26 93.618 2.326 10.580 1.00 0.00 C ATOM 216 CD1 TRP A 26 92.448 2.891 10.999 1.00 0.00 C ATOM 217 CD2 TRP A 26 94.519 2.397 11.691 1.00 0.00 C ATOM 218 NE1 TRP A 26 92.567 3.309 12.301 1.00 0.00 N ATOM 219 CE2 TRP A 26 93.828 3.016 12.748 1.00 0.00 C ATOM 220 CE3 TRP A 26 95.842 1.995 11.893 1.00 0.00 C ATOM 221 CZ2 TRP A 26 94.417 3.245 13.990 1.00 0.00 C ATOM 222 CZ3 TRP A 26 96.425 2.223 13.126 1.00 0.00 C ATOM 223 CH2 TRP A 26 95.713 2.843 14.160 1.00 0.00 C ATOM 0 H TRP A 26 92.670 3.660 7.971 1.00 0.00 H new ATOM 0 HA TRP A 26 95.473 3.136 8.702 1.00 0.00 H new ATOM 0 HB2 TRP A 26 92.983 1.383 8.789 1.00 0.00 H new ATOM 0 HB3 TRP A 26 94.578 0.903 9.333 1.00 0.00 H new ATOM 0 HD1 TRP A 26 91.559 2.994 10.395 1.00 0.00 H new ATOM 0 HE1 TRP A 26 91.835 3.764 12.847 1.00 0.00 H new ATOM 0 HE3 TRP A 26 96.398 1.515 11.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 93.870 3.723 14.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 97.447 1.918 13.294 1.00 0.00 H new ATOM 0 HH2 TRP A 26 96.197 3.007 15.111 1.00 0.00 H new ATOM 234 N GLU A 27 94.053 2.413 5.909 1.00 0.00 N ATOM 235 CA GLU A 27 94.258 1.830 4.587 1.00 0.00 C ATOM 236 C GLU A 27 95.612 2.235 4.019 1.00 0.00 C ATOM 237 O GLU A 27 96.283 1.441 3.360 1.00 0.00 O ATOM 238 CB GLU A 27 93.143 2.260 3.634 1.00 0.00 C ATOM 239 CG GLU A 27 93.037 1.394 2.389 1.00 0.00 C ATOM 240 CD GLU A 27 92.676 -0.043 2.710 1.00 0.00 C ATOM 241 OE1 GLU A 27 91.575 -0.271 3.254 1.00 0.00 O ATOM 242 OE2 GLU A 27 93.493 -0.940 2.416 1.00 0.00 O ATOM 0 H GLU A 27 93.267 3.060 5.971 1.00 0.00 H new ATOM 0 HA GLU A 27 94.236 0.745 4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 27 92.192 2.234 4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 27 93.312 3.294 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 27 92.284 1.814 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 27 93.986 1.416 1.853 1.00 0.00 H new ATOM 249 N SER A 28 96.015 3.474 4.283 1.00 0.00 N ATOM 250 CA SER A 28 97.294 3.975 3.799 1.00 0.00 C ATOM 251 C SER A 28 98.436 3.201 4.436 1.00 0.00 C ATOM 252 O SER A 28 99.397 2.826 3.765 1.00 0.00 O ATOM 253 CB SER A 28 97.431 5.468 4.092 1.00 0.00 C ATOM 254 OG SER A 28 98.783 5.832 4.315 1.00 0.00 O ATOM 0 H SER A 28 95.475 4.147 4.828 1.00 0.00 H new ATOM 0 HA SER A 28 97.336 3.833 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 28 97.032 6.042 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 28 96.835 5.724 4.968 1.00 0.00 H new ATOM 0 HG SER A 28 98.837 6.793 4.498 1.00 0.00 H new ATOM 260 N ALA A 29 98.313 2.939 5.733 1.00 0.00 N ATOM 261 CA ALA A 29 99.327 2.181 6.445 1.00 0.00 C ATOM 262 C ALA A 29 99.414 0.788 5.845 1.00 0.00 C ATOM 263 O ALA A 29 100.495 0.213 5.720 1.00 0.00 O ATOM 264 CB ALA A 29 99.006 2.112 7.930 1.00 0.00 C ATOM 0 H ALA A 29 97.525 3.240 6.307 1.00 0.00 H new ATOM 0 HA ALA A 29 100.291 2.679 6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.779 1.540 8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 29 98.968 3.121 8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 29 98.041 1.626 8.071 1.00 0.00 H new ATOM 270 N LYS A 30 98.257 0.272 5.445 1.00 0.00 N ATOM 271 CA LYS A 30 98.178 -1.039 4.821 1.00 0.00 C ATOM 272 C LYS A 30 98.667 -0.959 3.379 1.00 0.00 C ATOM 273 O LYS A 30 99.127 -1.949 2.813 1.00 0.00 O ATOM 274 CB LYS A 30 96.738 -1.562 4.865 1.00 0.00 C ATOM 275 CG LYS A 30 96.590 -2.876 5.616 1.00 0.00 C ATOM 276 CD LYS A 30 95.458 -2.817 6.630 1.00 0.00 C ATOM 277 CE LYS A 30 95.449 -4.044 7.531 1.00 0.00 C ATOM 278 NZ LYS A 30 95.656 -3.684 8.961 1.00 0.00 N ATOM 0 H LYS A 30 97.359 0.746 5.543 1.00 0.00 H new ATOM 0 HA LYS A 30 98.815 -1.731 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 30 96.102 -0.811 5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 30 96.377 -1.693 3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.402 -3.682 4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.524 -3.111 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 30 95.560 -1.919 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 30 94.504 -2.741 6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 30 94.499 -4.567 7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 30 96.231 -4.734 7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 95.643 -4.547 9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 96.574 -3.207 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 94.896 -3.046 9.272 1.00 0.00 H new ATOM 292 N THR A 31 98.572 0.237 2.795 1.00 0.00 N ATOM 293 CA THR A 31 99.011 0.458 1.427 1.00 0.00 C ATOM 294 C THR A 31 100.533 0.448 1.353 1.00 0.00 C ATOM 295 O THR A 31 101.127 -0.385 0.669 1.00 0.00 O ATOM 296 CB THR A 31 98.467 1.792 0.917 1.00 0.00 C ATOM 297 OG1 THR A 31 97.083 1.693 0.631 1.00 0.00 O ATOM 298 CG2 THR A 31 99.159 2.289 -0.333 1.00 0.00 C ATOM 0 H THR A 31 98.193 1.065 3.254 1.00 0.00 H new ATOM 0 HA THR A 31 98.628 -0.346 0.798 1.00 0.00 H new ATOM 0 HB THR A 31 98.656 2.503 1.721 1.00 0.00 H new ATOM 0 HG1 THR A 31 96.581 1.608 1.468 1.00 0.00 H new ATOM 0 HG21 THR A 31 98.721 3.240 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 31 100.221 2.427 -0.131 1.00 0.00 H new ATOM 0 HG23 THR A 31 99.034 1.559 -1.133 1.00 0.00 H new ATOM 306 N ALA A 32 101.161 1.375 2.074 1.00 0.00 N ATOM 307 CA ALA A 32 102.615 1.458 2.097 1.00 0.00 C ATOM 308 C ALA A 32 103.199 0.144 2.585 1.00 0.00 C ATOM 309 O ALA A 32 104.292 -0.256 2.181 1.00 0.00 O ATOM 310 CB ALA A 32 103.072 2.610 2.979 1.00 0.00 C ATOM 0 H ALA A 32 100.687 2.074 2.646 1.00 0.00 H new ATOM 0 HA ALA A 32 102.973 1.647 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 32 104.161 2.655 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 32 102.671 3.546 2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 32 102.711 2.455 3.996 1.00 0.00 H new ATOM 316 N ALA A 33 102.445 -0.536 3.439 1.00 0.00 N ATOM 317 CA ALA A 33 102.865 -1.822 3.969 1.00 0.00 C ATOM 318 C ALA A 33 102.669 -2.903 2.918 1.00 0.00 C ATOM 319 O ALA A 33 103.508 -3.785 2.752 1.00 0.00 O ATOM 320 CB ALA A 33 102.085 -2.157 5.231 1.00 0.00 C ATOM 0 H ALA A 33 101.538 -0.216 3.779 1.00 0.00 H new ATOM 0 HA ALA A 33 103.923 -1.770 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 33 102.412 -3.123 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 33 102.263 -1.389 5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 33 101.021 -2.199 5.000 1.00 0.00 H new ATOM 326 N GLN A 34 101.551 -2.815 2.197 1.00 0.00 N ATOM 327 CA GLN A 34 101.236 -3.777 1.146 1.00 0.00 C ATOM 328 C GLN A 34 102.365 -3.851 0.126 1.00 0.00 C ATOM 329 O GLN A 34 102.630 -4.905 -0.448 1.00 0.00 O ATOM 330 CB GLN A 34 99.933 -3.387 0.445 1.00 0.00 C ATOM 331 CG GLN A 34 98.760 -4.291 0.787 1.00 0.00 C ATOM 332 CD GLN A 34 97.783 -4.435 -0.364 1.00 0.00 C ATOM 333 OE1 GLN A 34 98.182 -4.666 -1.506 1.00 0.00 O ATOM 334 NE2 GLN A 34 96.495 -4.296 -0.070 1.00 0.00 N ATOM 0 H GLN A 34 100.849 -2.086 2.323 1.00 0.00 H new ATOM 0 HA GLN A 34 101.117 -4.757 1.607 1.00 0.00 H new ATOM 0 HB2 GLN A 34 99.680 -2.361 0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 34 100.092 -3.405 -0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 34 99.134 -5.276 1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 34 98.237 -3.890 1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 34 96.209 -4.105 0.890 1.00 0.00 H new ATOM 0 HE22 GLN A 34 95.792 -4.380 -0.804 1.00 0.00 H new ATOM 528 N ASP A 46 110.003 -6.895 -11.824 1.00 0.00 N ATOM 529 CA ASP A 46 110.530 -5.699 -12.467 1.00 0.00 C ATOM 530 C ASP A 46 111.853 -5.281 -11.836 1.00 0.00 C ATOM 531 O ASP A 46 112.692 -4.665 -12.489 1.00 0.00 O ATOM 532 CB ASP A 46 109.519 -4.555 -12.369 1.00 0.00 C ATOM 533 CG ASP A 46 108.475 -4.610 -13.467 1.00 0.00 C ATOM 534 OD1 ASP A 46 107.518 -5.403 -13.338 1.00 0.00 O ATOM 535 OD2 ASP A 46 108.614 -3.861 -14.456 1.00 0.00 O ATOM 0 HA ASP A 46 110.707 -5.929 -13.518 1.00 0.00 H new ATOM 0 HB2 ASP A 46 109.024 -4.593 -11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 46 110.046 -3.602 -12.420 1.00 0.00 H new ATOM 540 N GLU A 47 112.035 -5.620 -10.564 1.00 0.00 N ATOM 541 CA GLU A 47 113.260 -5.277 -9.854 1.00 0.00 C ATOM 542 C GLU A 47 114.422 -6.144 -10.319 1.00 0.00 C ATOM 543 O GLU A 47 115.514 -5.642 -10.586 1.00 0.00 O ATOM 544 CB GLU A 47 113.073 -5.442 -8.350 1.00 0.00 C ATOM 545 CG GLU A 47 111.773 -4.855 -7.824 1.00 0.00 C ATOM 546 CD GLU A 47 111.701 -3.351 -7.992 1.00 0.00 C ATOM 547 OE1 GLU A 47 111.943 -2.867 -9.118 1.00 0.00 O ATOM 548 OE2 GLU A 47 111.405 -2.655 -6.997 1.00 0.00 O ATOM 0 H GLU A 47 111.351 -6.131 -10.006 1.00 0.00 H new ATOM 0 HA GLU A 47 113.489 -4.234 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 47 113.107 -6.503 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 47 113.909 -4.968 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 47 110.934 -5.315 -8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 47 111.667 -5.104 -6.768 1.00 0.00 H new ATOM 555 N LYS A 48 114.180 -7.448 -10.423 1.00 0.00 N ATOM 556 CA LYS A 48 115.213 -8.377 -10.866 1.00 0.00 C ATOM 557 C LYS A 48 115.783 -7.921 -12.200 1.00 0.00 C ATOM 558 O LYS A 48 116.998 -7.868 -12.386 1.00 0.00 O ATOM 559 CB LYS A 48 114.643 -9.791 -10.989 1.00 0.00 C ATOM 560 CG LYS A 48 114.268 -10.412 -9.653 1.00 0.00 C ATOM 561 CD LYS A 48 112.802 -10.813 -9.612 1.00 0.00 C ATOM 562 CE LYS A 48 112.595 -12.089 -8.813 1.00 0.00 C ATOM 563 NZ LYS A 48 112.739 -11.859 -7.350 1.00 0.00 N ATOM 0 H LYS A 48 113.283 -7.883 -10.208 1.00 0.00 H new ATOM 0 HA LYS A 48 116.013 -8.391 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 48 113.761 -9.764 -11.629 1.00 0.00 H new ATOM 0 HB3 LYS A 48 115.376 -10.428 -11.484 1.00 0.00 H new ATOM 0 HG2 LYS A 48 114.890 -11.288 -9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 48 114.474 -9.703 -8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 48 112.216 -10.007 -9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 48 112.434 -10.955 -10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 48 111.603 -12.490 -9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 48 113.317 -12.840 -9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 112.590 -12.754 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 113.694 -11.500 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 112.034 -11.162 -7.037 1.00 0.00 H new ATOM 577 N LEU A 49 114.890 -7.574 -13.119 1.00 0.00 N ATOM 578 CA LEU A 49 115.294 -7.102 -14.431 1.00 0.00 C ATOM 579 C LEU A 49 115.770 -5.650 -14.359 1.00 0.00 C ATOM 580 O LEU A 49 116.457 -5.171 -15.261 1.00 0.00 O ATOM 581 CB LEU A 49 114.134 -7.248 -15.422 1.00 0.00 C ATOM 582 CG LEU A 49 113.070 -6.145 -15.378 1.00 0.00 C ATOM 583 CD1 LEU A 49 113.551 -4.904 -16.115 1.00 0.00 C ATOM 584 CD2 LEU A 49 111.765 -6.647 -15.980 1.00 0.00 C ATOM 0 H LEU A 49 113.881 -7.612 -12.976 1.00 0.00 H new ATOM 0 HA LEU A 49 116.128 -7.711 -14.781 1.00 0.00 H new ATOM 0 HB2 LEU A 49 114.546 -7.288 -16.430 1.00 0.00 H new ATOM 0 HB3 LEU A 49 113.645 -8.205 -15.240 1.00 0.00 H new ATOM 0 HG LEU A 49 112.895 -5.877 -14.336 1.00 0.00 H new ATOM 0 HD11 LEU A 49 112.781 -4.134 -16.072 1.00 0.00 H new ATOM 0 HD12 LEU A 49 114.462 -4.533 -15.646 1.00 0.00 H new ATOM 0 HD13 LEU A 49 113.755 -5.155 -17.156 1.00 0.00 H new ATOM 0 HD21 LEU A 49 111.018 -5.854 -15.942 1.00 0.00 H new ATOM 0 HD22 LEU A 49 111.931 -6.940 -17.017 1.00 0.00 H new ATOM 0 HD23 LEU A 49 111.410 -7.507 -15.413 1.00 0.00 H new ATOM 596 N ARG A 50 115.407 -4.956 -13.278 1.00 0.00 N ATOM 597 CA ARG A 50 115.809 -3.563 -13.097 1.00 0.00 C ATOM 598 C ARG A 50 117.002 -3.452 -12.149 1.00 0.00 C ATOM 599 O ARG A 50 117.338 -2.361 -11.687 1.00 0.00 O ATOM 600 CB ARG A 50 114.639 -2.737 -12.562 1.00 0.00 C ATOM 601 CG ARG A 50 114.882 -1.237 -12.601 1.00 0.00 C ATOM 602 CD ARG A 50 114.037 -0.565 -13.672 1.00 0.00 C ATOM 603 NE ARG A 50 114.720 -0.534 -14.964 1.00 0.00 N ATOM 604 CZ ARG A 50 114.097 -0.592 -16.140 1.00 0.00 C ATOM 605 NH1 ARG A 50 112.772 -0.673 -16.199 1.00 0.00 N ATOM 606 NH2 ARG A 50 114.802 -0.565 -17.262 1.00 0.00 N ATOM 0 H ARG A 50 114.839 -5.335 -12.520 1.00 0.00 H new ATOM 0 HA ARG A 50 116.107 -3.172 -14.070 1.00 0.00 H new ATOM 0 HB2 ARG A 50 113.747 -2.967 -13.145 1.00 0.00 H new ATOM 0 HB3 ARG A 50 114.434 -3.036 -11.534 1.00 0.00 H new ATOM 0 HG2 ARG A 50 114.650 -0.804 -11.628 1.00 0.00 H new ATOM 0 HG3 ARG A 50 115.937 -1.043 -12.793 1.00 0.00 H new ATOM 0 HD2 ARG A 50 113.091 -1.096 -13.774 1.00 0.00 H new ATOM 0 HD3 ARG A 50 113.800 0.453 -13.362 1.00 0.00 H new ATOM 0 HE ARG A 50 115.738 -0.464 -14.965 1.00 0.00 H new ATOM 0 HH11 ARG A 50 112.223 -0.691 -15.339 1.00 0.00 H new ATOM 0 HH12 ARG A 50 112.304 -0.717 -17.104 1.00 0.00 H new ATOM 0 HH21 ARG A 50 115.819 -0.500 -17.224 1.00 0.00 H new ATOM 0 HH22 ARG A 50 114.327 -0.609 -18.164 1.00 0.00 H new ATOM 620 N ASP A 51 117.644 -4.584 -11.864 1.00 0.00 N ATOM 621 CA ASP A 51 118.800 -4.602 -10.977 1.00 0.00 C ATOM 622 C ASP A 51 120.071 -4.284 -11.753 1.00 0.00 C ATOM 623 O ASP A 51 120.923 -3.527 -11.287 1.00 0.00 O ATOM 624 CB ASP A 51 118.931 -5.967 -10.300 1.00 0.00 C ATOM 625 CG ASP A 51 118.378 -5.967 -8.888 1.00 0.00 C ATOM 626 OD1 ASP A 51 118.913 -5.223 -8.041 1.00 0.00 O ATOM 627 OD2 ASP A 51 117.409 -6.712 -8.631 1.00 0.00 O ATOM 0 H ASP A 51 117.382 -5.497 -12.235 1.00 0.00 H new ATOM 0 HA ASP A 51 118.656 -3.840 -10.211 1.00 0.00 H new ATOM 0 HB2 ASP A 51 118.406 -6.716 -10.893 1.00 0.00 H new ATOM 0 HB3 ASP A 51 119.981 -6.259 -10.276 1.00 0.00 H new ATOM 632 N LEU A 52 120.191 -4.866 -12.943 1.00 0.00 N ATOM 633 CA LEU A 52 121.354 -4.642 -13.791 1.00 0.00 C ATOM 634 C LEU A 52 121.604 -3.149 -13.972 1.00 0.00 C ATOM 635 O LEU A 52 122.747 -2.693 -13.970 1.00 0.00 O ATOM 636 CB LEU A 52 121.156 -5.312 -15.152 1.00 0.00 C ATOM 637 CG LEU A 52 119.974 -4.785 -15.969 1.00 0.00 C ATOM 638 CD1 LEU A 52 120.434 -3.707 -16.936 1.00 0.00 C ATOM 639 CD2 LEU A 52 119.292 -5.920 -16.718 1.00 0.00 C ATOM 0 H LEU A 52 119.495 -5.497 -13.341 1.00 0.00 H new ATOM 0 HA LEU A 52 122.224 -5.084 -13.305 1.00 0.00 H new ATOM 0 HB2 LEU A 52 122.067 -5.187 -15.737 1.00 0.00 H new ATOM 0 HB3 LEU A 52 121.022 -6.382 -14.997 1.00 0.00 H new ATOM 0 HG LEU A 52 119.251 -4.345 -15.282 1.00 0.00 H new ATOM 0 HD11 LEU A 52 119.581 -3.344 -17.509 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.874 -2.881 -16.377 1.00 0.00 H new ATOM 0 HD13 LEU A 52 121.177 -4.122 -17.617 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.454 -5.525 -17.293 1.00 0.00 H new ATOM 0 HD22 LEU A 52 120.006 -6.391 -17.394 1.00 0.00 H new ATOM 0 HD23 LEU A 52 118.926 -6.659 -16.005 1.00 0.00 H new ATOM 651 N TYR A 53 120.521 -2.392 -14.113 1.00 0.00 N ATOM 652 CA TYR A 53 120.612 -0.947 -14.285 1.00 0.00 C ATOM 653 C TYR A 53 121.259 -0.300 -13.066 1.00 0.00 C ATOM 654 O TYR A 53 122.284 0.370 -13.176 1.00 0.00 O ATOM 655 CB TYR A 53 119.221 -0.352 -14.501 1.00 0.00 C ATOM 656 CG TYR A 53 119.225 0.874 -15.384 1.00 0.00 C ATOM 657 CD1 TYR A 53 119.749 2.077 -14.927 1.00 0.00 C ATOM 658 CD2 TYR A 53 118.718 0.828 -16.676 1.00 0.00 C ATOM 659 CE1 TYR A 53 119.766 3.199 -15.732 1.00 0.00 C ATOM 660 CE2 TYR A 53 118.730 1.947 -17.487 1.00 0.00 C ATOM 661 CZ TYR A 53 119.256 3.129 -17.011 1.00 0.00 C ATOM 662 OH TYR A 53 119.273 4.244 -17.816 1.00 0.00 O ATOM 0 H TYR A 53 119.568 -2.756 -14.111 1.00 0.00 H new ATOM 0 HA TYR A 53 121.230 -0.747 -15.160 1.00 0.00 H new ATOM 0 HB2 TYR A 53 118.575 -1.109 -14.945 1.00 0.00 H new ATOM 0 HB3 TYR A 53 118.790 -0.093 -13.534 1.00 0.00 H new ATOM 0 HD1 TYR A 53 120.150 2.136 -13.926 1.00 0.00 H new ATOM 0 HD2 TYR A 53 118.308 -0.097 -17.053 1.00 0.00 H new ATOM 0 HE1 TYR A 53 120.177 4.127 -15.362 1.00 0.00 H new ATOM 0 HE2 TYR A 53 118.329 1.896 -18.489 1.00 0.00 H new ATOM 0 HH TYR A 53 118.878 4.026 -18.686 1.00 0.00 H new ATOM 672 N SER A 54 120.649 -0.513 -11.902 1.00 0.00 N ATOM 673 CA SER A 54 121.153 0.051 -10.648 1.00 0.00 C ATOM 674 C SER A 54 122.304 -0.760 -10.079 1.00 0.00 C ATOM 675 O SER A 54 122.649 -0.619 -8.905 1.00 0.00 O ATOM 676 CB SER A 54 120.027 0.149 -9.614 1.00 0.00 C ATOM 677 OG SER A 54 118.809 -0.358 -10.130 1.00 0.00 O ATOM 0 H SER A 54 119.803 -1.073 -11.799 1.00 0.00 H new ATOM 0 HA SER A 54 121.528 1.049 -10.874 1.00 0.00 H new ATOM 0 HB2 SER A 54 120.304 -0.406 -8.718 1.00 0.00 H new ATOM 0 HB3 SER A 54 119.893 1.189 -9.316 1.00 0.00 H new ATOM 0 HG SER A 54 118.109 -0.284 -9.448 1.00 0.00 H new ATOM 683 N LYS A 55 122.913 -1.588 -10.909 1.00 0.00 N ATOM 684 CA LYS A 55 124.044 -2.387 -10.472 1.00 0.00 C ATOM 685 C LYS A 55 125.272 -2.084 -11.317 1.00 0.00 C ATOM 686 O LYS A 55 126.400 -2.344 -10.895 1.00 0.00 O ATOM 687 CB LYS A 55 123.713 -3.881 -10.519 1.00 0.00 C ATOM 688 CG LYS A 55 124.704 -4.747 -9.756 1.00 0.00 C ATOM 689 CD LYS A 55 124.229 -5.019 -8.338 1.00 0.00 C ATOM 690 CE LYS A 55 124.891 -4.083 -7.339 1.00 0.00 C ATOM 691 NZ LYS A 55 124.354 -4.269 -5.963 1.00 0.00 N ATOM 0 H LYS A 55 122.646 -1.724 -11.884 1.00 0.00 H new ATOM 0 HA LYS A 55 124.263 -2.123 -9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 55 122.715 -4.037 -10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 55 123.684 -4.206 -11.559 1.00 0.00 H new ATOM 0 HG2 LYS A 55 124.843 -5.692 -10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 55 125.675 -4.252 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 55 123.147 -4.901 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 55 124.450 -6.053 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 55 125.967 -4.258 -7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 55 124.737 -3.050 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 124.831 -3.613 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 123.332 -4.077 -5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 124.523 -5.247 -5.654 1.00 0.00 H new ATOM 705 N SER A 56 125.054 -1.498 -12.495 1.00 0.00 N ATOM 706 CA SER A 56 126.153 -1.119 -13.376 1.00 0.00 C ATOM 707 C SER A 56 127.251 -0.451 -12.558 1.00 0.00 C ATOM 708 O SER A 56 128.442 -0.598 -12.836 1.00 0.00 O ATOM 709 CB SER A 56 125.644 -0.159 -14.452 1.00 0.00 C ATOM 710 OG SER A 56 125.308 -0.853 -15.640 1.00 0.00 O ATOM 0 H SER A 56 124.127 -1.277 -12.858 1.00 0.00 H new ATOM 0 HA SER A 56 126.557 -2.009 -13.859 1.00 0.00 H new ATOM 0 HB2 SER A 56 124.770 0.377 -14.081 1.00 0.00 H new ATOM 0 HB3 SER A 56 126.408 0.588 -14.668 1.00 0.00 H new ATOM 0 HG SER A 56 124.984 -0.216 -16.310 1.00 0.00 H new ATOM 716 N THR A 57 126.816 0.270 -11.530 1.00 0.00 N ATOM 717 CA THR A 57 127.713 0.969 -10.626 1.00 0.00 C ATOM 718 C THR A 57 126.912 1.712 -9.561 1.00 0.00 C ATOM 719 O THR A 57 127.331 2.765 -9.083 1.00 0.00 O ATOM 720 CB THR A 57 128.587 1.956 -11.402 1.00 0.00 C ATOM 721 OG1 THR A 57 129.518 2.585 -10.539 1.00 0.00 O ATOM 722 CG2 THR A 57 127.792 3.044 -12.092 1.00 0.00 C ATOM 0 H THR A 57 125.828 0.384 -11.302 1.00 0.00 H new ATOM 0 HA THR A 57 128.356 0.236 -10.140 1.00 0.00 H new ATOM 0 HB THR A 57 129.093 1.361 -12.162 1.00 0.00 H new ATOM 0 HG1 THR A 57 129.052 2.926 -9.748 1.00 0.00 H new ATOM 0 HG21 THR A 57 128.472 3.710 -12.624 1.00 0.00 H new ATOM 0 HG22 THR A 57 127.097 2.593 -12.801 1.00 0.00 H new ATOM 0 HG23 THR A 57 127.234 3.614 -11.349 1.00 0.00 H new ATOM 730 N ALA A 58 125.735 1.175 -9.213 1.00 0.00 N ATOM 731 CA ALA A 58 124.866 1.809 -8.231 1.00 0.00 C ATOM 732 C ALA A 58 124.159 2.980 -8.886 1.00 0.00 C ATOM 733 O ALA A 58 124.032 4.058 -8.303 1.00 0.00 O ATOM 734 CB ALA A 58 125.654 2.265 -7.009 1.00 0.00 C ATOM 0 H ALA A 58 125.369 0.305 -9.600 1.00 0.00 H new ATOM 0 HA ALA A 58 124.129 1.085 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 58 124.978 2.734 -6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 58 126.134 1.404 -6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 58 126.415 2.983 -7.314 1.00 0.00 H new ATOM 740 N ALA A 59 123.713 2.755 -10.116 1.00 0.00 N ATOM 741 CA ALA A 59 123.025 3.793 -10.880 1.00 0.00 C ATOM 742 C ALA A 59 121.790 4.293 -10.144 1.00 0.00 C ATOM 743 O ALA A 59 121.523 5.494 -10.097 1.00 0.00 O ATOM 744 CB ALA A 59 122.648 3.279 -12.261 1.00 0.00 C ATOM 0 H ALA A 59 123.814 1.866 -10.606 1.00 0.00 H new ATOM 0 HA ALA A 59 123.711 4.632 -10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 59 122.137 4.066 -12.815 1.00 0.00 H new ATOM 0 HB2 ALA A 59 123.549 2.984 -12.798 1.00 0.00 H new ATOM 0 HB3 ALA A 59 121.987 2.418 -12.161 1.00 0.00 H new ATOM 750 N MET A 60 121.035 3.361 -9.580 1.00 0.00 N ATOM 751 CA MET A 60 119.816 3.702 -8.845 1.00 0.00 C ATOM 752 C MET A 60 119.768 3.007 -7.483 1.00 0.00 C ATOM 753 O MET A 60 118.824 3.200 -6.717 1.00 0.00 O ATOM 754 CB MET A 60 118.577 3.324 -9.661 1.00 0.00 C ATOM 755 CG MET A 60 118.727 3.568 -11.154 1.00 0.00 C ATOM 756 SD MET A 60 118.828 5.320 -11.566 1.00 0.00 S ATOM 757 CE MET A 60 118.023 5.339 -13.166 1.00 0.00 C ATOM 0 H MET A 60 121.241 2.363 -9.615 1.00 0.00 H new ATOM 0 HA MET A 60 119.825 4.779 -8.678 1.00 0.00 H new ATOM 0 HB2 MET A 60 118.352 2.270 -9.495 1.00 0.00 H new ATOM 0 HB3 MET A 60 117.724 3.894 -9.293 1.00 0.00 H new ATOM 0 HG2 MET A 60 119.624 3.062 -11.512 1.00 0.00 H new ATOM 0 HG3 MET A 60 117.880 3.124 -11.677 1.00 0.00 H new ATOM 0 HE1 MET A 60 118.500 6.082 -13.805 1.00 0.00 H new ATOM 0 HE2 MET A 60 118.108 4.355 -13.628 1.00 0.00 H new ATOM 0 HE3 MET A 60 116.970 5.591 -13.040 1.00 0.00 H new ATOM 767 N SER A 61 120.782 2.198 -7.186 1.00 0.00 N ATOM 768 CA SER A 61 120.839 1.484 -5.914 1.00 0.00 C ATOM 769 C SER A 61 121.417 2.371 -4.813 1.00 0.00 C ATOM 770 O SER A 61 121.254 2.084 -3.626 1.00 0.00 O ATOM 771 CB SER A 61 121.679 0.214 -6.054 1.00 0.00 C ATOM 772 OG SER A 61 123.064 0.512 -6.044 1.00 0.00 O ATOM 0 H SER A 61 121.572 2.021 -7.806 1.00 0.00 H new ATOM 0 HA SER A 61 119.821 1.210 -5.637 1.00 0.00 H new ATOM 0 HB2 SER A 61 121.446 -0.471 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 61 121.421 -0.296 -6.982 1.00 0.00 H new ATOM 0 HG SER A 61 123.578 -0.318 -6.133 1.00 0.00 H new ATOM 778 N THR A 62 122.092 3.447 -5.209 1.00 0.00 N ATOM 779 CA THR A 62 122.689 4.373 -4.251 1.00 0.00 C ATOM 780 C THR A 62 121.645 4.881 -3.263 1.00 0.00 C ATOM 781 O THR A 62 121.882 4.911 -2.056 1.00 0.00 O ATOM 782 CB THR A 62 123.331 5.555 -4.980 1.00 0.00 C ATOM 783 OG1 THR A 62 123.671 6.581 -4.064 1.00 0.00 O ATOM 784 CG2 THR A 62 122.440 6.164 -6.042 1.00 0.00 C ATOM 0 H THR A 62 122.239 3.699 -6.186 1.00 0.00 H new ATOM 0 HA THR A 62 123.459 3.835 -3.698 1.00 0.00 H new ATOM 0 HB THR A 62 124.217 5.147 -5.466 1.00 0.00 H new ATOM 0 HG1 THR A 62 124.082 7.328 -4.547 1.00 0.00 H new ATOM 0 HG21 THR A 62 122.958 6.996 -6.518 1.00 0.00 H new ATOM 0 HG22 THR A 62 122.199 5.410 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 62 121.520 6.525 -5.582 1.00 0.00 H new ATOM 792 N TYR A 63 120.488 5.271 -3.785 1.00 0.00 N ATOM 793 CA TYR A 63 119.405 5.774 -2.960 1.00 0.00 C ATOM 794 C TYR A 63 118.809 4.653 -2.124 1.00 0.00 C ATOM 795 O TYR A 63 118.369 4.871 -0.995 1.00 0.00 O ATOM 796 CB TYR A 63 118.337 6.375 -3.855 1.00 0.00 C ATOM 797 CG TYR A 63 117.954 7.791 -3.490 1.00 0.00 C ATOM 798 CD1 TYR A 63 118.851 8.838 -3.659 1.00 0.00 C ATOM 799 CD2 TYR A 63 116.697 8.079 -2.974 1.00 0.00 C ATOM 800 CE1 TYR A 63 118.504 10.134 -3.325 1.00 0.00 C ATOM 801 CE2 TYR A 63 116.344 9.372 -2.638 1.00 0.00 C ATOM 802 CZ TYR A 63 117.250 10.395 -2.814 1.00 0.00 C ATOM 803 OH TYR A 63 116.902 11.684 -2.481 1.00 0.00 O ATOM 0 H TYR A 63 120.279 5.247 -4.783 1.00 0.00 H new ATOM 0 HA TYR A 63 119.793 6.537 -2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 63 118.691 6.360 -4.886 1.00 0.00 H new ATOM 0 HB3 TYR A 63 117.447 5.747 -3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 63 119.834 8.637 -4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 63 115.984 7.280 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 63 119.212 10.938 -3.464 1.00 0.00 H new ATOM 0 HE2 TYR A 63 115.362 9.580 -2.239 1.00 0.00 H new ATOM 0 HH TYR A 63 115.985 11.697 -2.136 1.00 0.00 H new ATOM 813 N THR A 64 118.813 3.446 -2.681 1.00 0.00 N ATOM 814 CA THR A 64 118.287 2.284 -1.977 1.00 0.00 C ATOM 815 C THR A 64 118.988 2.131 -0.635 1.00 0.00 C ATOM 816 O THR A 64 118.453 1.537 0.302 1.00 0.00 O ATOM 817 CB THR A 64 118.467 1.019 -2.817 1.00 0.00 C ATOM 818 OG1 THR A 64 118.138 1.265 -4.172 1.00 0.00 O ATOM 819 CG2 THR A 64 117.616 -0.138 -2.342 1.00 0.00 C ATOM 0 H THR A 64 119.173 3.248 -3.614 1.00 0.00 H new ATOM 0 HA THR A 64 117.221 2.432 -1.806 1.00 0.00 H new ATOM 0 HB THR A 64 119.517 0.747 -2.709 1.00 0.00 H new ATOM 0 HG1 THR A 64 118.106 0.416 -4.660 1.00 0.00 H new ATOM 0 HG21 THR A 64 117.791 -1.004 -2.980 1.00 0.00 H new ATOM 0 HG22 THR A 64 117.880 -0.386 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 64 116.563 0.141 -2.389 1.00 0.00 H new ATOM 827 N GLY A 65 120.185 2.698 -0.554 1.00 0.00 N ATOM 828 CA GLY A 65 120.954 2.652 0.670 1.00 0.00 C ATOM 829 C GLY A 65 120.719 3.881 1.522 1.00 0.00 C ATOM 830 O GLY A 65 120.950 3.859 2.732 1.00 0.00 O ATOM 0 H GLY A 65 120.638 3.192 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 65 120.686 1.760 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 65 122.014 2.571 0.431 1.00 0.00 H new ATOM 834 N ILE A 66 120.247 4.958 0.893 1.00 0.00 N ATOM 835 CA ILE A 66 119.969 6.193 1.613 1.00 0.00 C ATOM 836 C ILE A 66 118.533 6.214 2.125 1.00 0.00 C ATOM 837 O ILE A 66 118.168 7.054 2.946 1.00 0.00 O ATOM 838 CB ILE A 66 120.209 7.433 0.730 1.00 0.00 C ATOM 839 CG1 ILE A 66 121.590 7.365 0.076 1.00 0.00 C ATOM 840 CG2 ILE A 66 120.072 8.704 1.556 1.00 0.00 C ATOM 841 CD1 ILE A 66 122.724 7.240 1.068 1.00 0.00 C ATOM 0 H ILE A 66 120.051 4.997 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 66 120.657 6.227 2.458 1.00 0.00 H new ATOM 0 HB ILE A 66 119.456 7.449 -0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 66 121.619 6.514 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 66 121.742 8.261 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 66 120.244 9.572 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 66 119.069 8.757 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 66 120.805 8.695 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 66 123.673 7.197 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 66 122.722 8.103 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 66 122.596 6.330 1.654 1.00 0.00 H new ATOM 853 N PHE A 67 117.726 5.284 1.632 1.00 0.00 N ATOM 854 CA PHE A 67 116.335 5.185 2.031 1.00 0.00 C ATOM 855 C PHE A 67 116.213 4.624 3.443 1.00 0.00 C ATOM 856 O PHE A 67 115.494 5.166 4.282 1.00 0.00 O ATOM 857 CB PHE A 67 115.604 4.291 1.039 1.00 0.00 C ATOM 858 CG PHE A 67 114.325 4.883 0.519 1.00 0.00 C ATOM 859 CD1 PHE A 67 113.276 5.162 1.381 1.00 0.00 C ATOM 860 CD2 PHE A 67 114.175 5.165 -0.829 1.00 0.00 C ATOM 861 CE1 PHE A 67 112.101 5.711 0.906 1.00 0.00 C ATOM 862 CE2 PHE A 67 113.000 5.713 -1.309 1.00 0.00 C ATOM 863 CZ PHE A 67 111.962 5.987 -0.440 1.00 0.00 C ATOM 0 H PHE A 67 118.017 4.584 0.950 1.00 0.00 H new ATOM 0 HA PHE A 67 115.888 6.179 2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 67 116.265 4.081 0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 67 115.384 3.337 1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 67 113.378 4.948 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 67 114.985 4.955 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 67 111.291 5.924 1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 67 112.894 5.927 -2.362 1.00 0.00 H new ATOM 0 HZ PHE A 67 111.044 6.416 -0.812 1.00 0.00 H new ATOM 873 N THR A 68 116.925 3.535 3.689 1.00 0.00 N ATOM 874 CA THR A 68 116.914 2.876 4.991 1.00 0.00 C ATOM 875 C THR A 68 117.363 3.822 6.105 1.00 0.00 C ATOM 876 O THR A 68 117.101 3.574 7.282 1.00 0.00 O ATOM 877 CB THR A 68 117.826 1.649 4.961 1.00 0.00 C ATOM 878 OG1 THR A 68 117.998 1.183 3.635 1.00 0.00 O ATOM 879 CG2 THR A 68 117.306 0.495 5.788 1.00 0.00 C ATOM 0 H THR A 68 117.524 3.083 2.998 1.00 0.00 H new ATOM 0 HA THR A 68 115.889 2.570 5.200 1.00 0.00 H new ATOM 0 HB THR A 68 118.771 1.984 5.388 1.00 0.00 H new ATOM 0 HG1 THR A 68 118.586 0.399 3.637 1.00 0.00 H new ATOM 0 HG21 THR A 68 118.001 -0.342 5.722 1.00 0.00 H new ATOM 0 HG22 THR A 68 117.211 0.807 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 68 116.331 0.187 5.411 1.00 0.00 H new ATOM 887 N ASP A 69 118.051 4.897 5.731 1.00 0.00 N ATOM 888 CA ASP A 69 118.542 5.870 6.704 1.00 0.00 C ATOM 889 C ASP A 69 117.431 6.339 7.641 1.00 0.00 C ATOM 890 O ASP A 69 117.694 6.752 8.770 1.00 0.00 O ATOM 891 CB ASP A 69 119.161 7.071 5.988 1.00 0.00 C ATOM 892 CG ASP A 69 120.592 6.814 5.554 1.00 0.00 C ATOM 893 OD1 ASP A 69 120.800 5.958 4.670 1.00 0.00 O ATOM 894 OD2 ASP A 69 121.504 7.473 6.098 1.00 0.00 O ATOM 0 H ASP A 69 118.281 5.117 4.762 1.00 0.00 H new ATOM 0 HA ASP A 69 119.304 5.376 7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 69 118.559 7.319 5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 69 119.135 7.937 6.649 1.00 0.00 H new ATOM 899 N GLN A 70 116.190 6.267 7.173 1.00 0.00 N ATOM 900 CA GLN A 70 115.043 6.682 7.977 1.00 0.00 C ATOM 901 C GLN A 70 114.353 5.478 8.613 1.00 0.00 C ATOM 902 O GLN A 70 113.221 5.577 9.082 1.00 0.00 O ATOM 903 CB GLN A 70 114.046 7.464 7.122 1.00 0.00 C ATOM 904 CG GLN A 70 114.662 8.652 6.401 1.00 0.00 C ATOM 905 CD GLN A 70 114.225 9.982 6.985 1.00 0.00 C ATOM 906 OE1 GLN A 70 114.559 10.313 8.122 1.00 0.00 O ATOM 907 NE2 GLN A 70 113.473 10.750 6.206 1.00 0.00 N ATOM 0 H GLN A 70 115.951 5.926 6.242 1.00 0.00 H new ATOM 0 HA GLN A 70 115.410 7.328 8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 70 113.606 6.791 6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 70 113.234 7.817 7.757 1.00 0.00 H new ATOM 0 HG2 GLN A 70 115.748 8.578 6.450 1.00 0.00 H new ATOM 0 HG3 GLN A 70 114.387 8.615 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 70 113.221 10.434 5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 70 113.148 11.656 6.544 1.00 0.00 H new ATOM 916 N VAL A 71 115.044 4.342 8.620 1.00 0.00 N ATOM 917 CA VAL A 71 114.509 3.114 9.193 1.00 0.00 C ATOM 918 C VAL A 71 115.292 2.716 10.435 1.00 0.00 C ATOM 919 O VAL A 71 114.719 2.515 11.503 1.00 0.00 O ATOM 920 CB VAL A 71 114.569 1.969 8.168 1.00 0.00 C ATOM 921 CG1 VAL A 71 114.044 0.672 8.766 1.00 0.00 C ATOM 922 CG2 VAL A 71 113.796 2.337 6.912 1.00 0.00 C ATOM 0 H VAL A 71 115.983 4.248 8.232 1.00 0.00 H new ATOM 0 HA VAL A 71 113.470 3.298 9.467 1.00 0.00 H new ATOM 0 HB VAL A 71 115.613 1.812 7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 71 114.098 -0.121 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 71 114.649 0.399 9.630 1.00 0.00 H new ATOM 0 HG13 VAL A 71 113.008 0.808 9.077 1.00 0.00 H new ATOM 0 HG21 VAL A 71 113.849 1.515 6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 71 112.754 2.527 7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 71 114.230 3.233 6.467 1.00 0.00 H new ATOM 932 N LEU A 72 116.607 2.623 10.290 1.00 0.00 N ATOM 933 CA LEU A 72 117.468 2.264 11.410 1.00 0.00 C ATOM 934 C LEU A 72 117.543 3.432 12.383 1.00 0.00 C ATOM 935 O LEU A 72 117.555 3.247 13.600 1.00 0.00 O ATOM 936 CB LEU A 72 118.873 1.873 10.932 1.00 0.00 C ATOM 937 CG LEU A 72 118.975 1.400 9.479 1.00 0.00 C ATOM 938 CD1 LEU A 72 120.394 1.577 8.959 1.00 0.00 C ATOM 939 CD2 LEU A 72 118.538 -0.051 9.357 1.00 0.00 C ATOM 0 H LEU A 72 117.099 2.790 9.413 1.00 0.00 H new ATOM 0 HA LEU A 72 117.041 1.397 11.913 1.00 0.00 H new ATOM 0 HB2 LEU A 72 119.532 2.731 11.062 1.00 0.00 H new ATOM 0 HB3 LEU A 72 119.249 1.081 11.579 1.00 0.00 H new ATOM 0 HG LEU A 72 118.307 2.011 8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 72 120.448 1.236 7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 72 120.671 2.630 9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 72 121.081 0.992 9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 72 118.617 -0.369 8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 72 119.179 -0.677 9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 72 117.504 -0.149 9.688 1.00 0.00 H new ATOM 951 N SER A 73 117.554 4.642 11.827 1.00 0.00 N ATOM 952 CA SER A 73 117.593 5.861 12.628 1.00 0.00 C ATOM 953 C SER A 73 116.231 6.135 13.253 1.00 0.00 C ATOM 954 O SER A 73 116.088 7.016 14.100 1.00 0.00 O ATOM 955 CB SER A 73 118.010 7.052 11.765 1.00 0.00 C ATOM 956 OG SER A 73 118.780 7.980 12.511 1.00 0.00 O ATOM 0 H SER A 73 117.536 4.803 10.820 1.00 0.00 H new ATOM 0 HA SER A 73 118.326 5.721 13.423 1.00 0.00 H new ATOM 0 HB2 SER A 73 118.587 6.701 10.910 1.00 0.00 H new ATOM 0 HB3 SER A 73 117.123 7.546 11.369 1.00 0.00 H new ATOM 0 HG SER A 73 119.035 8.731 11.935 1.00 0.00 H new ATOM 962 N VAL A 74 115.235 5.371 12.824 1.00 0.00 N ATOM 963 CA VAL A 74 113.880 5.520 13.332 1.00 0.00 C ATOM 964 C VAL A 74 113.442 4.275 14.094 1.00 0.00 C ATOM 965 O VAL A 74 112.491 4.318 14.874 1.00 0.00 O ATOM 966 CB VAL A 74 112.889 5.778 12.188 1.00 0.00 C ATOM 967 CG1 VAL A 74 111.474 5.953 12.721 1.00 0.00 C ATOM 968 CG2 VAL A 74 113.317 6.996 11.382 1.00 0.00 C ATOM 0 H VAL A 74 115.342 4.639 12.122 1.00 0.00 H new ATOM 0 HA VAL A 74 113.882 6.375 14.008 1.00 0.00 H new ATOM 0 HB VAL A 74 112.892 4.909 11.530 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.792 6.134 11.890 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.170 5.049 13.249 1.00 0.00 H new ATOM 0 HG13 VAL A 74 111.445 6.801 13.406 1.00 0.00 H new ATOM 0 HG21 VAL A 74 112.605 7.167 10.575 1.00 0.00 H new ATOM 0 HG22 VAL A 74 113.345 7.871 12.032 1.00 0.00 H new ATOM 0 HG23 VAL A 74 114.308 6.824 10.962 1.00 0.00 H new ATOM 978 N LEU A 75 114.142 3.169 13.868 1.00 0.00 N ATOM 979 CA LEU A 75 113.818 1.916 14.543 1.00 0.00 C ATOM 980 C LEU A 75 114.799 1.668 15.680 1.00 0.00 C ATOM 981 O LEU A 75 114.422 1.195 16.752 1.00 0.00 O ATOM 982 CB LEU A 75 113.831 0.746 13.553 1.00 0.00 C ATOM 983 CG LEU A 75 115.216 0.207 13.198 1.00 0.00 C ATOM 984 CD1 LEU A 75 115.637 -0.871 14.183 1.00 0.00 C ATOM 985 CD2 LEU A 75 115.228 -0.331 11.774 1.00 0.00 C ATOM 0 H LEU A 75 114.933 3.113 13.227 1.00 0.00 H new ATOM 0 HA LEU A 75 112.813 1.994 14.958 1.00 0.00 H new ATOM 0 HB2 LEU A 75 113.238 -0.068 13.970 1.00 0.00 H new ATOM 0 HB3 LEU A 75 113.336 1.063 12.635 1.00 0.00 H new ATOM 0 HG LEU A 75 115.933 1.026 13.261 1.00 0.00 H new ATOM 0 HD11 LEU A 75 116.626 -1.243 13.914 1.00 0.00 H new ATOM 0 HD12 LEU A 75 115.668 -0.453 15.189 1.00 0.00 H new ATOM 0 HD13 LEU A 75 114.920 -1.691 14.153 1.00 0.00 H new ATOM 0 HD21 LEU A 75 116.222 -0.711 11.537 1.00 0.00 H new ATOM 0 HD22 LEU A 75 114.500 -1.137 11.684 1.00 0.00 H new ATOM 0 HD23 LEU A 75 114.971 0.470 11.080 1.00 0.00 H new ATOM 997 N LYS A 76 116.058 2.016 15.440 1.00 0.00 N ATOM 998 CA LYS A 76 117.097 1.865 16.434 1.00 0.00 C ATOM 999 C LYS A 76 117.509 3.239 16.950 1.00 0.00 C ATOM 1000 O LYS A 76 118.284 3.356 17.899 1.00 0.00 O ATOM 1001 CB LYS A 76 118.296 1.155 15.811 1.00 0.00 C ATOM 1002 CG LYS A 76 119.542 1.157 16.685 1.00 0.00 C ATOM 1003 CD LYS A 76 120.366 -0.106 16.493 1.00 0.00 C ATOM 1004 CE LYS A 76 120.926 -0.611 17.812 1.00 0.00 C ATOM 1005 NZ LYS A 76 119.935 -1.443 18.553 1.00 0.00 N ATOM 0 H LYS A 76 116.379 2.408 14.555 1.00 0.00 H new ATOM 0 HA LYS A 76 116.726 1.270 17.268 1.00 0.00 H new ATOM 0 HB2 LYS A 76 118.020 0.123 15.592 1.00 0.00 H new ATOM 0 HB3 LYS A 76 118.532 1.631 14.859 1.00 0.00 H new ATOM 0 HG2 LYS A 76 120.152 2.029 16.447 1.00 0.00 H new ATOM 0 HG3 LYS A 76 119.252 1.247 17.732 1.00 0.00 H new ATOM 0 HD2 LYS A 76 119.747 -0.880 16.039 1.00 0.00 H new ATOM 0 HD3 LYS A 76 121.185 0.094 15.802 1.00 0.00 H new ATOM 0 HE2 LYS A 76 121.825 -1.198 17.624 1.00 0.00 H new ATOM 0 HE3 LYS A 76 121.222 0.237 18.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 120.355 -1.769 19.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 119.087 -0.876 18.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 119.671 -2.266 17.975 1.00 0.00 H new ATOM 1019 N GLY A 77 116.988 4.281 16.300 1.00 0.00 N ATOM 1020 CA GLY A 77 117.314 5.633 16.687 1.00 0.00 C ATOM 1021 C GLY A 77 118.784 5.915 16.502 1.00 0.00 C ATOM 1022 O GLY A 77 119.386 6.644 17.290 1.00 0.00 O ATOM 0 H GLY A 77 116.345 4.205 15.512 1.00 0.00 H new ATOM 0 HA2 GLY A 77 116.729 6.335 16.093 1.00 0.00 H new ATOM 0 HA3 GLY A 77 117.039 5.792 17.730 1.00 0.00 H new ATOM 1026 N GLU A 78 119.375 5.317 15.470 1.00 0.00 N ATOM 1027 CA GLU A 78 120.804 5.511 15.226 1.00 0.00 C ATOM 1028 C GLU A 78 121.174 5.546 13.740 1.00 0.00 C ATOM 1029 O GLU A 78 122.169 6.169 13.370 1.00 0.00 O ATOM 1030 CB GLU A 78 121.604 4.415 15.933 1.00 0.00 C ATOM 1031 CG GLU A 78 122.522 4.942 17.022 1.00 0.00 C ATOM 1032 CD GLU A 78 123.953 5.103 16.552 1.00 0.00 C ATOM 1033 OE1 GLU A 78 124.234 6.081 15.827 1.00 0.00 O ATOM 1034 OE2 GLU A 78 124.794 4.250 16.907 1.00 0.00 O ATOM 0 H GLU A 78 118.901 4.708 14.803 1.00 0.00 H new ATOM 0 HA GLU A 78 121.056 6.491 15.631 1.00 0.00 H new ATOM 0 HB2 GLU A 78 120.912 3.695 16.369 1.00 0.00 H new ATOM 0 HB3 GLU A 78 122.200 3.878 15.195 1.00 0.00 H new ATOM 0 HG2 GLU A 78 122.148 5.904 17.372 1.00 0.00 H new ATOM 0 HG3 GLU A 78 122.498 4.261 17.873 1.00 0.00 H new ATOM 1041 N GLU A 79 120.399 4.872 12.893 1.00 0.00 N ATOM 1042 CA GLU A 79 120.695 4.841 11.460 1.00 0.00 C ATOM 1043 C GLU A 79 121.852 3.886 11.170 1.00 0.00 C ATOM 1044 O GLU A 79 122.903 4.357 10.686 1.00 0.00 O ATOM 1045 CB GLU A 79 121.032 6.243 10.938 1.00 0.00 C ATOM 1046 CG GLU A 79 120.696 6.438 9.470 1.00 0.00 C ATOM 1047 CD GLU A 79 121.862 6.110 8.557 1.00 0.00 C ATOM 1048 OE1 GLU A 79 122.944 6.707 8.738 1.00 0.00 O ATOM 1049 OE2 GLU A 79 121.693 5.256 7.661 1.00 0.00 O ATOM 0 H GLU A 79 119.570 4.345 13.168 1.00 0.00 H new ATOM 0 HA GLU A 79 119.804 4.484 10.944 1.00 0.00 H new ATOM 0 HB2 GLU A 79 120.490 6.982 11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 79 122.095 6.432 11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 79 119.846 5.808 9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 79 120.389 7.471 9.305 1.00 0.00 H new