USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 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 50 GLN : amide:sc= -0.562 X(o=-0.61,f=-1.1) USER MOD Set 1.2: A 81 MET CE :methyl -131:sc= -0.0433 (180deg=-3.18!) USER MOD Set 2.1: A 60 MET CE :methyl 153:sc=-0.00132 (180deg=0) USER MOD Set 2.2: A 84 CYS SG : rot 60:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0.0577 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=-0.024) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 16 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.6) USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= -0.0896 (180deg=-0.322) USER MOD Single : A 18 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.42) USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= 0.584 (180deg=-0.897) USER MOD Single : A 35 CYS SG : rot -28:sc= -1.8! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 154:sc= -0.284 (180deg=-1.7!) USER MOD Single : A 51 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.68) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 58 GLN : amide:sc= -0.0958 K(o=-0.096,f=-2.6!) USER MOD Single : A 69 SER OG : rot 70:sc= 0.369 USER MOD Single : A 71 THR OG1 : rot -96:sc= 0.312 USER MOD Single : A 80 MET CE :methyl 167:sc= -1.45 (180deg=-1.94) USER MOD Single : A 85 MET CE :methyl 172:sc= 0 (180deg=-0.0364) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 90.024 -3.159 4.594 1.00 0.00 N ATOM 2 CA MET A 1 88.634 -3.065 5.125 1.00 0.00 C ATOM 3 C MET A 1 88.474 -1.798 5.971 1.00 0.00 C ATOM 4 O MET A 1 88.703 -1.804 7.164 1.00 0.00 O ATOM 5 CB MET A 1 88.454 -4.312 5.991 1.00 0.00 C ATOM 6 CG MET A 1 87.200 -5.068 5.549 1.00 0.00 C ATOM 7 SD MET A 1 86.089 -5.275 6.963 1.00 0.00 S ATOM 8 CE MET A 1 85.191 -6.718 6.338 1.00 0.00 C ATOM 0 H1 MET A 1 90.120 -4.022 4.022 1.00 0.00 H new ATOM 0 H2 MET A 1 90.227 -2.328 4.003 1.00 0.00 H new ATOM 0 H3 MET A 1 90.697 -3.192 5.386 1.00 0.00 H new ATOM 0 HA MET A 1 87.892 -3.011 4.328 1.00 0.00 H new ATOM 0 HB2 MET A 1 89.329 -4.956 5.904 1.00 0.00 H new ATOM 0 HB3 MET A 1 88.369 -4.029 7.040 1.00 0.00 H new ATOM 0 HG2 MET A 1 86.695 -4.521 4.753 1.00 0.00 H new ATOM 0 HG3 MET A 1 87.474 -6.042 5.143 1.00 0.00 H new ATOM 0 HE1 MET A 1 84.440 -7.022 7.066 1.00 0.00 H new ATOM 0 HE2 MET A 1 84.702 -6.463 5.398 1.00 0.00 H new ATOM 0 HE3 MET A 1 85.890 -7.538 6.173 1.00 0.00 H new ATOM 20 N ASP A 2 88.084 -0.712 5.362 1.00 0.00 N ATOM 21 CA ASP A 2 87.911 0.553 6.132 1.00 0.00 C ATOM 22 C ASP A 2 86.479 1.071 5.979 1.00 0.00 C ATOM 23 O ASP A 2 85.937 1.698 6.867 1.00 0.00 O ATOM 24 CB ASP A 2 88.907 1.533 5.512 1.00 0.00 C ATOM 25 CG ASP A 2 90.071 1.758 6.480 1.00 0.00 C ATOM 26 OD1 ASP A 2 90.260 0.927 7.352 1.00 0.00 O ATOM 27 OD2 ASP A 2 90.755 2.758 6.330 1.00 0.00 O ATOM 0 H ASP A 2 87.878 -0.645 4.365 1.00 0.00 H new ATOM 0 HA ASP A 2 88.086 0.416 7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 2 89.278 1.141 4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 2 88.414 2.480 5.293 1.00 0.00 H new ATOM 32 N ASP A 3 85.862 0.813 4.860 1.00 0.00 N ATOM 33 CA ASP A 3 84.465 1.289 4.651 1.00 0.00 C ATOM 34 C ASP A 3 83.471 0.212 5.095 1.00 0.00 C ATOM 35 O ASP A 3 83.693 -0.967 4.902 1.00 0.00 O ATOM 36 CB ASP A 3 84.351 1.539 3.147 1.00 0.00 C ATOM 37 CG ASP A 3 85.036 2.861 2.796 1.00 0.00 C ATOM 38 OD1 ASP A 3 84.946 3.781 3.591 1.00 0.00 O ATOM 39 OD2 ASP A 3 85.639 2.930 1.738 1.00 0.00 O ATOM 0 H ASP A 3 86.264 0.293 4.080 1.00 0.00 H new ATOM 0 HA ASP A 3 84.242 2.186 5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 3 84.813 0.720 2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 3 83.302 1.571 2.851 1.00 0.00 H new ATOM 44 N ILE A 4 82.380 0.606 5.690 1.00 0.00 N ATOM 45 CA ILE A 4 81.376 -0.398 6.146 1.00 0.00 C ATOM 46 C ILE A 4 80.238 -0.507 5.129 1.00 0.00 C ATOM 47 O ILE A 4 79.522 -1.488 5.086 1.00 0.00 O ATOM 48 CB ILE A 4 80.859 0.138 7.482 1.00 0.00 C ATOM 49 CG1 ILE A 4 79.922 1.322 7.233 1.00 0.00 C ATOM 50 CG2 ILE A 4 82.042 0.598 8.337 1.00 0.00 C ATOM 51 CD1 ILE A 4 79.637 2.034 8.557 1.00 0.00 C ATOM 0 H ILE A 4 82.139 1.579 5.881 1.00 0.00 H new ATOM 0 HA ILE A 4 81.804 -1.395 6.248 1.00 0.00 H new ATOM 0 HB ILE A 4 80.316 -0.651 8.002 1.00 0.00 H new ATOM 0 HG12 ILE A 4 80.375 2.016 6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 4 78.990 0.975 6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 4 81.675 0.980 9.290 1.00 0.00 H new ATOM 0 HG22 ILE A 4 82.710 -0.244 8.517 1.00 0.00 H new ATOM 0 HG23 ILE A 4 82.584 1.386 7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 4 78.970 2.877 8.380 1.00 0.00 H new ATOM 0 HD12 ILE A 4 79.166 1.338 9.251 1.00 0.00 H new ATOM 0 HD13 ILE A 4 80.572 2.395 8.985 1.00 0.00 H new ATOM 63 N TYR A 5 80.065 0.493 4.309 1.00 0.00 N ATOM 64 CA TYR A 5 78.973 0.446 3.294 1.00 0.00 C ATOM 65 C TYR A 5 79.437 -0.321 2.052 1.00 0.00 C ATOM 66 O TYR A 5 78.907 -1.363 1.721 1.00 0.00 O ATOM 67 CB TYR A 5 78.690 1.907 2.948 1.00 0.00 C ATOM 68 CG TYR A 5 78.571 2.711 4.220 1.00 0.00 C ATOM 69 CD1 TYR A 5 77.346 2.776 4.895 1.00 0.00 C ATOM 70 CD2 TYR A 5 79.685 3.393 4.724 1.00 0.00 C ATOM 71 CE1 TYR A 5 77.236 3.521 6.076 1.00 0.00 C ATOM 72 CE2 TYR A 5 79.575 4.138 5.905 1.00 0.00 C ATOM 73 CZ TYR A 5 78.350 4.201 6.580 1.00 0.00 C ATOM 74 OH TYR A 5 78.241 4.936 7.743 1.00 0.00 O ATOM 0 H TYR A 5 80.632 1.341 4.297 1.00 0.00 H new ATOM 0 HA TYR A 5 78.084 -0.063 3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 5 79.491 2.306 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 5 77.769 1.983 2.369 1.00 0.00 H new ATOM 0 HD1 TYR A 5 76.486 2.252 4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 5 80.629 3.345 4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 5 76.292 3.571 6.597 1.00 0.00 H new ATOM 0 HE2 TYR A 5 80.434 4.663 6.295 1.00 0.00 H new ATOM 0 HH TYR A 5 79.107 5.344 7.955 1.00 0.00 H new ATOM 84 N LYS A 6 80.422 0.186 1.362 1.00 0.00 N ATOM 85 CA LYS A 6 80.915 -0.515 0.143 1.00 0.00 C ATOM 86 C LYS A 6 81.074 -2.012 0.421 1.00 0.00 C ATOM 87 O LYS A 6 80.703 -2.845 -0.383 1.00 0.00 O ATOM 88 CB LYS A 6 82.274 0.120 -0.157 1.00 0.00 C ATOM 89 CG LYS A 6 82.263 0.706 -1.570 1.00 0.00 C ATOM 90 CD LYS A 6 83.317 1.810 -1.673 1.00 0.00 C ATOM 91 CE LYS A 6 82.738 3.120 -1.135 1.00 0.00 C ATOM 92 NZ LYS A 6 82.757 4.053 -2.295 1.00 0.00 N ATOM 0 H LYS A 6 80.906 1.054 1.590 1.00 0.00 H new ATOM 0 HA LYS A 6 80.225 -0.419 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 6 82.490 0.902 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 6 83.064 -0.626 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 6 82.468 -0.076 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 6 81.276 1.108 -1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 6 84.206 1.533 -1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 6 83.627 1.936 -2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 6 81.725 2.979 -0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 6 83.335 3.505 -0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 82.374 4.975 -2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 83.735 4.173 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 82.175 3.663 -3.064 1.00 0.00 H new ATOM 106 N ALA A 7 81.621 -2.360 1.554 1.00 0.00 N ATOM 107 CA ALA A 7 81.802 -3.804 1.882 1.00 0.00 C ATOM 108 C ALA A 7 80.445 -4.466 2.134 1.00 0.00 C ATOM 109 O ALA A 7 80.335 -5.675 2.188 1.00 0.00 O ATOM 110 CB ALA A 7 82.648 -3.815 3.156 1.00 0.00 C ATOM 0 H ALA A 7 81.950 -1.708 2.266 1.00 0.00 H new ATOM 0 HA ALA A 7 82.277 -4.355 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 7 82.827 -4.845 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 7 83.601 -3.323 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.119 -3.285 3.948 1.00 0.00 H new ATOM 116 N ALA A 8 79.411 -3.686 2.289 1.00 0.00 N ATOM 117 CA ALA A 8 78.063 -4.275 2.539 1.00 0.00 C ATOM 118 C ALA A 8 77.470 -4.818 1.236 1.00 0.00 C ATOM 119 O ALA A 8 76.708 -5.765 1.239 1.00 0.00 O ATOM 120 CB ALA A 8 77.218 -3.118 3.072 1.00 0.00 C ATOM 0 H ALA A 8 79.440 -2.667 2.254 1.00 0.00 H new ATOM 0 HA ALA A 8 78.101 -5.109 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 8 76.208 -3.471 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 8 77.665 -2.733 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.178 -2.324 2.327 1.00 0.00 H new ATOM 126 N VAL A 9 77.809 -4.226 0.125 1.00 0.00 N ATOM 127 CA VAL A 9 77.260 -4.712 -1.174 1.00 0.00 C ATOM 128 C VAL A 9 78.094 -5.884 -1.700 1.00 0.00 C ATOM 129 O VAL A 9 77.574 -6.823 -2.269 1.00 0.00 O ATOM 130 CB VAL A 9 77.359 -3.513 -2.120 1.00 0.00 C ATOM 131 CG1 VAL A 9 77.214 -3.986 -3.567 1.00 0.00 C ATOM 132 CG2 VAL A 9 76.243 -2.517 -1.798 1.00 0.00 C ATOM 0 H VAL A 9 78.441 -3.428 0.059 1.00 0.00 H new ATOM 0 HA VAL A 9 76.236 -5.073 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 9 78.328 -3.031 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 9 77.285 -3.130 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 9 78.008 -4.696 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 9 76.246 -4.469 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 9 76.313 -1.663 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 9 75.275 -3.002 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 9 76.345 -2.176 -0.768 1.00 0.00 H new ATOM 142 N GLU A 10 79.385 -5.836 -1.514 1.00 0.00 N ATOM 143 CA GLU A 10 80.250 -6.948 -2.005 1.00 0.00 C ATOM 144 C GLU A 10 79.892 -8.255 -1.291 1.00 0.00 C ATOM 145 O GLU A 10 79.796 -9.301 -1.902 1.00 0.00 O ATOM 146 CB GLU A 10 81.677 -6.522 -1.660 1.00 0.00 C ATOM 147 CG GLU A 10 82.080 -5.332 -2.532 1.00 0.00 C ATOM 148 CD GLU A 10 83.275 -4.617 -1.899 1.00 0.00 C ATOM 149 OE1 GLU A 10 83.532 -4.856 -0.730 1.00 0.00 O ATOM 150 OE2 GLU A 10 83.912 -3.842 -2.592 1.00 0.00 O ATOM 0 H GLU A 10 79.878 -5.077 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 10 80.124 -7.127 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.742 -6.252 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.364 -7.353 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.336 -5.673 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.242 -4.642 -2.634 1.00 0.00 H new ATOM 157 N GLN A 11 79.694 -8.203 -0.003 1.00 0.00 N ATOM 158 CA GLN A 11 79.344 -9.442 0.749 1.00 0.00 C ATOM 159 C GLN A 11 78.135 -10.129 0.107 1.00 0.00 C ATOM 160 O GLN A 11 77.939 -11.320 0.245 1.00 0.00 O ATOM 161 CB GLN A 11 79.001 -8.966 2.160 1.00 0.00 C ATOM 162 CG GLN A 11 80.291 -8.689 2.934 1.00 0.00 C ATOM 163 CD GLN A 11 79.987 -8.654 4.433 1.00 0.00 C ATOM 164 OE1 GLN A 11 79.638 -9.661 5.016 1.00 0.00 O ATOM 165 NE2 GLN A 11 80.107 -7.530 5.085 1.00 0.00 N ATOM 0 H GLN A 11 79.759 -7.356 0.562 1.00 0.00 H new ATOM 0 HA GLN A 11 80.158 -10.167 0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 11 78.392 -8.063 2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 11 78.410 -9.722 2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.030 -9.461 2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.722 -7.739 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 11 80.400 -6.685 4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 11 79.908 -7.497 6.085 1.00 0.00 H new ATOM 174 N LEU A 12 77.321 -9.386 -0.592 1.00 0.00 N ATOM 175 CA LEU A 12 76.126 -9.995 -1.240 1.00 0.00 C ATOM 176 C LEU A 12 76.485 -10.508 -2.637 1.00 0.00 C ATOM 177 O LEU A 12 77.322 -9.949 -3.319 1.00 0.00 O ATOM 178 CB LEU A 12 75.104 -8.862 -1.330 1.00 0.00 C ATOM 179 CG LEU A 12 74.899 -8.248 0.057 1.00 0.00 C ATOM 180 CD1 LEU A 12 73.991 -7.022 -0.056 1.00 0.00 C ATOM 181 CD2 LEU A 12 74.245 -9.281 0.979 1.00 0.00 C ATOM 0 H LEU A 12 77.432 -8.383 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 12 75.741 -10.847 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 12 75.450 -8.101 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.157 -9.241 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 12 75.863 -7.950 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 12 73.845 -6.585 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 12 74.454 -6.286 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 12 73.026 -7.320 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.098 -8.845 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.281 -9.578 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.890 -10.156 1.060 1.00 0.00 H new ATOM 193 N THR A 13 75.859 -11.569 -3.068 1.00 0.00 N ATOM 194 CA THR A 13 76.166 -12.119 -4.420 1.00 0.00 C ATOM 195 C THR A 13 75.038 -11.780 -5.399 1.00 0.00 C ATOM 196 O THR A 13 74.004 -11.268 -5.017 1.00 0.00 O ATOM 197 CB THR A 13 76.265 -13.631 -4.218 1.00 0.00 C ATOM 198 OG1 THR A 13 74.994 -14.141 -3.840 1.00 0.00 O ATOM 199 CG2 THR A 13 77.285 -13.935 -3.120 1.00 0.00 C ATOM 0 H THR A 13 75.148 -12.079 -2.543 1.00 0.00 H new ATOM 0 HA THR A 13 77.083 -11.702 -4.837 1.00 0.00 H new ATOM 0 HB THR A 13 76.584 -14.102 -5.148 1.00 0.00 H new ATOM 0 HG1 THR A 13 75.056 -15.111 -3.712 1.00 0.00 H new ATOM 0 HG21 THR A 13 77.355 -15.013 -2.977 1.00 0.00 H new ATOM 0 HG22 THR A 13 78.260 -13.544 -3.411 1.00 0.00 H new ATOM 0 HG23 THR A 13 76.968 -13.465 -2.189 1.00 0.00 H new ATOM 207 N GLU A 14 75.227 -12.061 -6.659 1.00 0.00 N ATOM 208 CA GLU A 14 74.166 -11.756 -7.660 1.00 0.00 C ATOM 209 C GLU A 14 72.927 -12.615 -7.397 1.00 0.00 C ATOM 210 O GLU A 14 71.808 -12.185 -7.590 1.00 0.00 O ATOM 211 CB GLU A 14 74.784 -12.105 -9.014 1.00 0.00 C ATOM 212 CG GLU A 14 74.069 -11.324 -10.119 1.00 0.00 C ATOM 213 CD GLU A 14 74.376 -11.961 -11.476 1.00 0.00 C ATOM 214 OE1 GLU A 14 74.246 -13.170 -11.583 1.00 0.00 O ATOM 215 OE2 GLU A 14 74.733 -11.229 -12.384 1.00 0.00 O ATOM 0 H GLU A 14 76.071 -12.489 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 14 73.845 -10.715 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 14 75.847 -11.864 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 14 74.700 -13.176 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 14 72.994 -11.323 -9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 14 74.394 -10.284 -10.112 1.00 0.00 H new ATOM 222 N GLU A 15 73.119 -13.829 -6.958 1.00 0.00 N ATOM 223 CA GLU A 15 71.953 -14.716 -6.682 1.00 0.00 C ATOM 224 C GLU A 15 71.135 -14.163 -5.513 1.00 0.00 C ATOM 225 O GLU A 15 69.930 -14.321 -5.455 1.00 0.00 O ATOM 226 CB GLU A 15 72.563 -16.070 -6.315 1.00 0.00 C ATOM 227 CG GLU A 15 72.008 -17.149 -7.247 1.00 0.00 C ATOM 228 CD GLU A 15 71.815 -18.450 -6.466 1.00 0.00 C ATOM 229 OE1 GLU A 15 71.909 -18.407 -5.251 1.00 0.00 O ATOM 230 OE2 GLU A 15 71.575 -19.467 -7.097 1.00 0.00 O ATOM 0 H GLU A 15 74.033 -14.245 -6.778 1.00 0.00 H new ATOM 0 HA GLU A 15 71.279 -14.790 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 15 73.649 -16.026 -6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 15 72.332 -16.316 -5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 15 71.059 -16.824 -7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 15 72.692 -17.311 -8.080 1.00 0.00 H new ATOM 237 N GLN A 16 71.777 -13.512 -4.582 1.00 0.00 N ATOM 238 CA GLN A 16 71.040 -12.946 -3.422 1.00 0.00 C ATOM 239 C GLN A 16 70.470 -11.570 -3.796 1.00 0.00 C ATOM 240 O GLN A 16 69.360 -11.229 -3.440 1.00 0.00 O ATOM 241 CB GLN A 16 72.099 -12.852 -2.310 1.00 0.00 C ATOM 242 CG GLN A 16 71.928 -11.563 -1.501 1.00 0.00 C ATOM 243 CD GLN A 16 72.380 -11.801 -0.059 1.00 0.00 C ATOM 244 OE1 GLN A 16 73.496 -12.216 0.180 1.00 0.00 O ATOM 245 NE2 GLN A 16 71.554 -11.552 0.921 1.00 0.00 N ATOM 0 H GLN A 16 72.784 -13.348 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 16 70.189 -13.549 -3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 16 72.016 -13.715 -1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 16 73.096 -12.881 -2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 16 72.513 -10.760 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 16 70.885 -11.246 -1.519 1.00 0.00 H new ATOM 0 HE21 GLN A 16 70.616 -11.203 0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 16 71.846 -11.706 1.886 1.00 0.00 H new ATOM 254 N LYS A 17 71.223 -10.781 -4.513 1.00 0.00 N ATOM 255 CA LYS A 17 70.723 -9.434 -4.910 1.00 0.00 C ATOM 256 C LYS A 17 69.491 -9.575 -5.809 1.00 0.00 C ATOM 257 O LYS A 17 68.715 -8.653 -5.964 1.00 0.00 O ATOM 258 CB LYS A 17 71.878 -8.791 -5.678 1.00 0.00 C ATOM 259 CG LYS A 17 72.799 -8.062 -4.698 1.00 0.00 C ATOM 260 CD LYS A 17 74.218 -8.016 -5.268 1.00 0.00 C ATOM 261 CE LYS A 17 74.342 -6.840 -6.239 1.00 0.00 C ATOM 262 NZ LYS A 17 75.644 -6.200 -5.904 1.00 0.00 N ATOM 0 H LYS A 17 72.161 -11.010 -4.841 1.00 0.00 H new ATOM 0 HA LYS A 17 70.424 -8.834 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 17 72.437 -9.553 -6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 17 71.491 -8.092 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.433 -7.050 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 17 72.799 -8.572 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 17 74.942 -7.912 -4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 17 74.445 -8.950 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 17 74.324 -7.180 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 17 73.515 -6.140 -6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 75.681 -5.249 -6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 75.739 -6.127 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 76.422 -6.777 -6.283 1.00 0.00 H new ATOM 276 N ASN A 18 69.304 -10.725 -6.398 1.00 0.00 N ATOM 277 CA ASN A 18 68.119 -10.924 -7.282 1.00 0.00 C ATOM 278 C ASN A 18 66.831 -10.699 -6.489 1.00 0.00 C ATOM 279 O ASN A 18 65.911 -10.053 -6.949 1.00 0.00 O ATOM 280 CB ASN A 18 68.216 -12.377 -7.751 1.00 0.00 C ATOM 281 CG ASN A 18 68.722 -12.417 -9.194 1.00 0.00 C ATOM 282 OD1 ASN A 18 68.249 -11.678 -10.036 1.00 0.00 O ATOM 283 ND2 ASN A 18 69.670 -13.253 -9.519 1.00 0.00 N ATOM 0 H ASN A 18 69.919 -11.534 -6.306 1.00 0.00 H new ATOM 0 HA ASN A 18 68.103 -10.227 -8.120 1.00 0.00 H new ATOM 0 HB2 ASN A 18 68.891 -12.935 -7.102 1.00 0.00 H new ATOM 0 HB3 ASN A 18 67.240 -12.858 -7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.014 -13.286 -10.479 1.00 0.00 H new ATOM 0 HD22 ASN A 18 70.067 -13.873 -8.813 1.00 0.00 H new ATOM 290 N GLU A 19 66.759 -11.224 -5.297 1.00 0.00 N ATOM 291 CA GLU A 19 65.531 -11.036 -4.473 1.00 0.00 C ATOM 292 C GLU A 19 65.302 -9.545 -4.213 1.00 0.00 C ATOM 293 O GLU A 19 64.217 -9.032 -4.401 1.00 0.00 O ATOM 294 CB GLU A 19 65.815 -11.773 -3.164 1.00 0.00 C ATOM 295 CG GLU A 19 64.711 -11.462 -2.151 1.00 0.00 C ATOM 296 CD GLU A 19 65.340 -11.003 -0.834 1.00 0.00 C ATOM 297 OE1 GLU A 19 66.182 -10.121 -0.878 1.00 0.00 O ATOM 298 OE2 GLU A 19 64.969 -11.541 0.196 1.00 0.00 O ATOM 0 H GLU A 19 67.497 -11.775 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 19 64.636 -11.417 -4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 19 65.866 -12.847 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 19 66.783 -11.469 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.053 -10.686 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.097 -12.347 -1.984 1.00 0.00 H new ATOM 305 N PHE A 20 66.318 -8.846 -3.785 1.00 0.00 N ATOM 306 CA PHE A 20 66.159 -7.388 -3.516 1.00 0.00 C ATOM 307 C PHE A 20 65.735 -6.663 -4.796 1.00 0.00 C ATOM 308 O PHE A 20 64.865 -5.815 -4.781 1.00 0.00 O ATOM 309 CB PHE A 20 67.542 -6.916 -3.065 1.00 0.00 C ATOM 310 CG PHE A 20 67.608 -6.920 -1.557 1.00 0.00 C ATOM 311 CD1 PHE A 20 66.554 -6.382 -0.809 1.00 0.00 C ATOM 312 CD2 PHE A 20 68.723 -7.461 -0.907 1.00 0.00 C ATOM 313 CE1 PHE A 20 66.616 -6.386 0.590 1.00 0.00 C ATOM 314 CE2 PHE A 20 68.785 -7.465 0.491 1.00 0.00 C ATOM 315 CZ PHE A 20 67.731 -6.928 1.240 1.00 0.00 C ATOM 0 H PHE A 20 67.250 -9.221 -3.610 1.00 0.00 H new ATOM 0 HA PHE A 20 65.395 -7.185 -2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 20 68.312 -7.569 -3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 20 67.738 -5.914 -3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 20 65.694 -5.964 -1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 20 69.536 -7.876 -1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 20 65.803 -5.971 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 20 69.646 -7.882 0.992 1.00 0.00 H new ATOM 0 HZ PHE A 20 67.778 -6.932 2.319 1.00 0.00 H new ATOM 325 N LYS A 21 66.341 -6.993 -5.903 1.00 0.00 N ATOM 326 CA LYS A 21 65.969 -6.325 -7.183 1.00 0.00 C ATOM 327 C LYS A 21 64.488 -6.563 -7.488 1.00 0.00 C ATOM 328 O LYS A 21 63.814 -5.717 -8.041 1.00 0.00 O ATOM 329 CB LYS A 21 66.849 -6.987 -8.244 1.00 0.00 C ATOM 330 CG LYS A 21 66.810 -6.159 -9.530 1.00 0.00 C ATOM 331 CD LYS A 21 67.281 -7.017 -10.705 1.00 0.00 C ATOM 332 CE LYS A 21 67.113 -6.234 -12.009 1.00 0.00 C ATOM 333 NZ LYS A 21 65.641 -6.127 -12.207 1.00 0.00 N ATOM 0 H LYS A 21 67.077 -7.695 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 21 66.117 -5.246 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 21 67.874 -7.068 -7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 21 66.499 -8.000 -8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 21 65.798 -5.799 -9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.448 -5.281 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 21 68.326 -7.297 -10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 21 66.706 -7.942 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 21 67.575 -5.249 -11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 21 67.587 -6.751 -12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 65.407 -6.342 -13.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 65.157 -6.803 -11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 65.329 -5.161 -11.980 1.00 0.00 H new ATOM 347 N ALA A 22 63.978 -7.709 -7.127 1.00 0.00 N ATOM 348 CA ALA A 22 62.539 -8.000 -7.392 1.00 0.00 C ATOM 349 C ALA A 22 61.658 -7.274 -6.372 1.00 0.00 C ATOM 350 O ALA A 22 60.457 -7.180 -6.529 1.00 0.00 O ATOM 351 CB ALA A 22 62.406 -9.516 -7.235 1.00 0.00 C ATOM 0 H ALA A 22 64.494 -8.455 -6.661 1.00 0.00 H new ATOM 0 HA ALA A 22 62.224 -7.664 -8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 22 61.372 -9.811 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 22 63.056 -10.015 -7.954 1.00 0.00 H new ATOM 0 HB3 ALA A 22 62.695 -9.804 -6.224 1.00 0.00 H new ATOM 357 N ALA A 23 62.248 -6.759 -5.327 1.00 0.00 N ATOM 358 CA ALA A 23 61.446 -6.038 -4.297 1.00 0.00 C ATOM 359 C ALA A 23 61.752 -4.539 -4.343 1.00 0.00 C ATOM 360 O ALA A 23 61.113 -3.743 -3.685 1.00 0.00 O ATOM 361 CB ALA A 23 61.889 -6.635 -2.960 1.00 0.00 C ATOM 0 H ALA A 23 63.250 -6.806 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 23 60.373 -6.148 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 23 61.342 -6.155 -2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 23 61.683 -7.705 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.958 -6.471 -2.825 1.00 0.00 H new ATOM 367 N PHE A 24 62.728 -4.151 -5.119 1.00 0.00 N ATOM 368 CA PHE A 24 63.080 -2.704 -5.209 1.00 0.00 C ATOM 369 C PHE A 24 62.586 -2.123 -6.537 1.00 0.00 C ATOM 370 O PHE A 24 62.133 -0.997 -6.605 1.00 0.00 O ATOM 371 CB PHE A 24 64.607 -2.665 -5.138 1.00 0.00 C ATOM 372 CG PHE A 24 65.105 -1.315 -5.598 1.00 0.00 C ATOM 373 CD1 PHE A 24 65.149 -1.011 -6.963 1.00 0.00 C ATOM 374 CD2 PHE A 24 65.528 -0.368 -4.656 1.00 0.00 C ATOM 375 CE1 PHE A 24 65.613 0.240 -7.389 1.00 0.00 C ATOM 376 CE2 PHE A 24 65.992 0.883 -5.082 1.00 0.00 C ATOM 377 CZ PHE A 24 66.035 1.187 -6.447 1.00 0.00 C ATOM 0 H PHE A 24 63.297 -4.773 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 24 62.621 -2.114 -4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 24 64.938 -2.857 -4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 24 65.030 -3.451 -5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 24 64.825 -1.742 -7.689 1.00 0.00 H new ATOM 0 HD2 PHE A 24 65.496 -0.602 -3.602 1.00 0.00 H new ATOM 0 HE1 PHE A 24 65.645 0.474 -8.443 1.00 0.00 H new ATOM 0 HE2 PHE A 24 66.317 1.614 -4.356 1.00 0.00 H new ATOM 0 HZ PHE A 24 66.394 2.152 -6.774 1.00 0.00 H new ATOM 387 N ASP A 25 62.671 -2.882 -7.595 1.00 0.00 N ATOM 388 CA ASP A 25 62.209 -2.374 -8.919 1.00 0.00 C ATOM 389 C ASP A 25 60.699 -2.122 -8.892 1.00 0.00 C ATOM 390 O ASP A 25 60.160 -1.427 -9.730 1.00 0.00 O ATOM 391 CB ASP A 25 62.548 -3.486 -9.911 1.00 0.00 C ATOM 392 CG ASP A 25 63.388 -2.912 -11.054 1.00 0.00 C ATOM 393 OD1 ASP A 25 63.244 -1.733 -11.334 1.00 0.00 O ATOM 394 OD2 ASP A 25 64.160 -3.662 -11.629 1.00 0.00 O ATOM 0 H ASP A 25 63.041 -3.833 -7.600 1.00 0.00 H new ATOM 0 HA ASP A 25 62.684 -1.430 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 25 63.096 -4.282 -9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 25 61.633 -3.928 -10.305 1.00 0.00 H new ATOM 399 N ILE A 26 60.011 -2.688 -7.938 1.00 0.00 N ATOM 400 CA ILE A 26 58.536 -2.488 -7.859 1.00 0.00 C ATOM 401 C ILE A 26 58.203 -1.076 -7.371 1.00 0.00 C ATOM 402 O ILE A 26 57.052 -0.695 -7.289 1.00 0.00 O ATOM 403 CB ILE A 26 58.057 -3.527 -6.850 1.00 0.00 C ATOM 404 CG1 ILE A 26 58.199 -4.922 -7.462 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.591 -3.263 -6.503 1.00 0.00 C ATOM 406 CD1 ILE A 26 57.438 -5.931 -6.605 1.00 0.00 C ATOM 0 H ILE A 26 60.407 -3.281 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 26 58.056 -2.600 -8.831 1.00 0.00 H new ATOM 0 HB ILE A 26 58.657 -3.464 -5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 26 57.810 -4.926 -8.480 1.00 0.00 H new ATOM 0 HG13 ILE A 26 59.251 -5.200 -7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 26 56.248 -4.005 -5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 26 56.493 -2.267 -6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 26 55.986 -3.329 -7.407 1.00 0.00 H new ATOM 0 HD11 ILE A 26 57.538 -6.926 -7.039 1.00 0.00 H new ATOM 0 HD12 ILE A 26 57.848 -5.933 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 26 56.384 -5.655 -6.568 1.00 0.00 H new ATOM 418 N PHE A 27 59.196 -0.295 -7.039 1.00 0.00 N ATOM 419 CA PHE A 27 58.918 1.087 -6.552 1.00 0.00 C ATOM 420 C PHE A 27 59.810 2.102 -7.272 1.00 0.00 C ATOM 421 O PHE A 27 60.218 3.095 -6.702 1.00 0.00 O ATOM 422 CB PHE A 27 59.242 1.050 -5.059 1.00 0.00 C ATOM 423 CG PHE A 27 58.303 0.092 -4.366 1.00 0.00 C ATOM 424 CD1 PHE A 27 57.033 0.524 -3.967 1.00 0.00 C ATOM 425 CD2 PHE A 27 58.702 -1.227 -4.123 1.00 0.00 C ATOM 426 CE1 PHE A 27 56.161 -0.363 -3.325 1.00 0.00 C ATOM 427 CE2 PHE A 27 57.830 -2.115 -3.481 1.00 0.00 C ATOM 428 CZ PHE A 27 56.560 -1.683 -3.082 1.00 0.00 C ATOM 0 H PHE A 27 60.182 -0.552 -7.084 1.00 0.00 H new ATOM 0 HA PHE A 27 57.888 1.389 -6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 27 60.275 0.737 -4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 27 59.144 2.047 -4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 27 56.726 1.542 -4.155 1.00 0.00 H new ATOM 0 HD2 PHE A 27 59.682 -1.560 -4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 27 55.181 -0.029 -3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 27 58.138 -3.133 -3.294 1.00 0.00 H new ATOM 0 HZ PHE A 27 55.888 -2.368 -2.587 1.00 0.00 H new ATOM 438 N VAL A 28 60.112 1.867 -8.518 1.00 0.00 N ATOM 439 CA VAL A 28 60.973 2.827 -9.268 1.00 0.00 C ATOM 440 C VAL A 28 60.101 3.782 -10.087 1.00 0.00 C ATOM 441 O VAL A 28 60.545 4.377 -11.048 1.00 0.00 O ATOM 442 CB VAL A 28 61.831 1.961 -10.187 1.00 0.00 C ATOM 443 CG1 VAL A 28 62.933 2.816 -10.812 1.00 0.00 C ATOM 444 CG2 VAL A 28 62.464 0.832 -9.374 1.00 0.00 C ATOM 0 H VAL A 28 59.801 1.054 -9.050 1.00 0.00 H new ATOM 0 HA VAL A 28 61.584 3.440 -8.605 1.00 0.00 H new ATOM 0 HB VAL A 28 61.208 1.539 -10.975 1.00 0.00 H new ATOM 0 HG11 VAL A 28 63.545 2.197 -11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.483 3.623 -11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 28 63.557 3.238 -10.024 1.00 0.00 H new ATOM 0 HG21 VAL A 28 63.077 0.212 -10.028 1.00 0.00 H new ATOM 0 HG22 VAL A 28 63.087 1.256 -8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 28 61.679 0.222 -8.927 1.00 0.00 H new ATOM 454 N LEU A 29 58.860 3.930 -9.710 1.00 0.00 N ATOM 455 CA LEU A 29 57.957 4.846 -10.464 1.00 0.00 C ATOM 456 C LEU A 29 58.421 6.295 -10.299 1.00 0.00 C ATOM 457 O LEU A 29 58.106 6.951 -9.326 1.00 0.00 O ATOM 458 CB LEU A 29 56.579 4.646 -9.831 1.00 0.00 C ATOM 459 CG LEU A 29 56.673 4.869 -8.320 1.00 0.00 C ATOM 460 CD1 LEU A 29 55.539 5.791 -7.869 1.00 0.00 C ATOM 461 CD2 LEU A 29 56.553 3.523 -7.600 1.00 0.00 C ATOM 0 H LEU A 29 58.433 3.457 -8.914 1.00 0.00 H new ATOM 0 HA LEU A 29 57.949 4.636 -11.534 1.00 0.00 H new ATOM 0 HB2 LEU A 29 55.862 5.341 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 29 56.214 3.640 -10.039 1.00 0.00 H new ATOM 0 HG LEU A 29 57.632 5.328 -8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 29 55.606 5.950 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 29 55.622 6.748 -8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 29 54.580 5.332 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 29 56.620 3.679 -6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 29 55.594 3.065 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 29 57.360 2.865 -7.922 1.00 0.00 H new ATOM 473 N GLY A 30 59.169 6.798 -11.242 1.00 0.00 N ATOM 474 CA GLY A 30 59.655 8.203 -11.139 1.00 0.00 C ATOM 475 C GLY A 30 61.065 8.213 -10.546 1.00 0.00 C ATOM 476 O GLY A 30 61.245 8.104 -9.349 1.00 0.00 O ATOM 0 H GLY A 30 59.465 6.297 -12.080 1.00 0.00 H new ATOM 0 HA2 GLY A 30 59.660 8.670 -12.124 1.00 0.00 H new ATOM 0 HA3 GLY A 30 58.981 8.787 -10.512 1.00 0.00 H new ATOM 480 N ALA A 31 62.065 8.344 -11.373 1.00 0.00 N ATOM 481 CA ALA A 31 63.463 8.362 -10.854 1.00 0.00 C ATOM 482 C ALA A 31 64.452 8.575 -12.003 1.00 0.00 C ATOM 483 O ALA A 31 64.105 8.465 -13.163 1.00 0.00 O ATOM 484 CB ALA A 31 63.667 6.986 -10.219 1.00 0.00 C ATOM 0 H ALA A 31 61.976 8.439 -12.385 1.00 0.00 H new ATOM 0 HA ALA A 31 63.628 9.169 -10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 31 64.676 6.919 -9.812 1.00 0.00 H new ATOM 0 HB2 ALA A 31 62.942 6.844 -9.417 1.00 0.00 H new ATOM 0 HB3 ALA A 31 63.528 6.213 -10.974 1.00 0.00 H new ATOM 490 N GLU A 32 65.681 8.880 -11.690 1.00 0.00 N ATOM 491 CA GLU A 32 66.693 9.101 -12.764 1.00 0.00 C ATOM 492 C GLU A 32 66.563 8.023 -13.843 1.00 0.00 C ATOM 493 O GLU A 32 66.498 8.315 -15.021 1.00 0.00 O ATOM 494 CB GLU A 32 68.046 8.995 -12.059 1.00 0.00 C ATOM 495 CG GLU A 32 69.169 9.261 -13.064 1.00 0.00 C ATOM 496 CD GLU A 32 68.982 10.646 -13.686 1.00 0.00 C ATOM 497 OE1 GLU A 32 69.475 11.603 -13.112 1.00 0.00 O ATOM 498 OE2 GLU A 32 68.348 10.727 -14.725 1.00 0.00 O ATOM 0 H GLU A 32 66.029 8.986 -10.737 1.00 0.00 H new ATOM 0 HA GLU A 32 66.566 10.063 -13.261 1.00 0.00 H new ATOM 0 HB2 GLU A 32 68.099 9.713 -11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 32 68.163 8.004 -11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 32 70.137 9.202 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU A 32 69.163 8.498 -13.842 1.00 0.00 H new ATOM 505 N ASP A 33 66.525 6.778 -13.452 1.00 0.00 N ATOM 506 CA ASP A 33 66.400 5.684 -14.457 1.00 0.00 C ATOM 507 C ASP A 33 66.486 4.320 -13.767 1.00 0.00 C ATOM 508 O ASP A 33 67.069 3.388 -14.283 1.00 0.00 O ATOM 509 CB ASP A 33 67.582 5.881 -15.406 1.00 0.00 C ATOM 510 CG ASP A 33 67.064 6.235 -16.802 1.00 0.00 C ATOM 511 OD1 ASP A 33 66.729 5.321 -17.536 1.00 0.00 O ATOM 512 OD2 ASP A 33 67.011 7.414 -17.112 1.00 0.00 O ATOM 0 H ASP A 33 66.575 6.471 -12.480 1.00 0.00 H new ATOM 0 HA ASP A 33 65.446 5.713 -14.983 1.00 0.00 H new ATOM 0 HB2 ASP A 33 68.231 6.675 -15.035 1.00 0.00 H new ATOM 0 HB3 ASP A 33 68.182 4.972 -15.449 1.00 0.00 H new ATOM 517 N GLY A 34 65.909 4.197 -12.603 1.00 0.00 N ATOM 518 CA GLY A 34 65.956 2.893 -11.882 1.00 0.00 C ATOM 519 C GLY A 34 66.084 3.142 -10.377 1.00 0.00 C ATOM 520 O GLY A 34 66.788 2.438 -9.680 1.00 0.00 O ATOM 0 H GLY A 34 65.407 4.942 -12.120 1.00 0.00 H new ATOM 0 HA2 GLY A 34 65.054 2.318 -12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.800 2.301 -12.236 1.00 0.00 H new ATOM 524 N CYS A 35 65.406 4.135 -9.871 1.00 0.00 N ATOM 525 CA CYS A 35 65.484 4.426 -8.409 1.00 0.00 C ATOM 526 C CYS A 35 64.075 4.575 -7.830 1.00 0.00 C ATOM 527 O CYS A 35 63.125 4.825 -8.546 1.00 0.00 O ATOM 528 CB CYS A 35 66.251 5.744 -8.305 1.00 0.00 C ATOM 529 SG CYS A 35 67.739 5.660 -9.332 1.00 0.00 S ATOM 0 H CYS A 35 64.801 4.758 -10.406 1.00 0.00 H new ATOM 0 HA CYS A 35 65.976 3.628 -7.853 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.619 6.571 -8.629 1.00 0.00 H new ATOM 0 HB3 CYS A 35 66.523 5.938 -7.267 1.00 0.00 H new ATOM 0 HG CYS A 35 68.129 4.424 -9.431 1.00 0.00 H new ATOM 535 N ILE A 36 63.926 4.424 -6.541 1.00 0.00 N ATOM 536 CA ILE A 36 62.569 4.558 -5.933 1.00 0.00 C ATOM 537 C ILE A 36 62.482 5.836 -5.097 1.00 0.00 C ATOM 538 O ILE A 36 63.479 6.463 -4.793 1.00 0.00 O ATOM 539 CB ILE A 36 62.406 3.323 -5.046 1.00 0.00 C ATOM 540 CG1 ILE A 36 63.390 3.399 -3.876 1.00 0.00 C ATOM 541 CG2 ILE A 36 62.686 2.064 -5.867 1.00 0.00 C ATOM 542 CD1 ILE A 36 62.916 2.477 -2.749 1.00 0.00 C ATOM 0 H ILE A 36 64.679 4.215 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 36 61.786 4.623 -6.689 1.00 0.00 H new ATOM 0 HB ILE A 36 61.387 3.286 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.387 3.105 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 36 63.463 4.425 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.570 1.184 -5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.984 2.008 -6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.704 2.101 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 36 63.617 2.531 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 36 61.928 2.791 -2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 36 62.866 1.451 -3.115 1.00 0.00 H new ATOM 554 N SER A 37 61.295 6.228 -4.722 1.00 0.00 N ATOM 555 CA SER A 37 61.140 7.466 -3.905 1.00 0.00 C ATOM 556 C SER A 37 61.380 7.155 -2.425 1.00 0.00 C ATOM 557 O SER A 37 60.978 6.124 -1.925 1.00 0.00 O ATOM 558 CB SER A 37 59.697 7.913 -4.132 1.00 0.00 C ATOM 559 OG SER A 37 59.601 9.316 -3.923 1.00 0.00 O ATOM 0 H SER A 37 60.425 5.745 -4.946 1.00 0.00 H new ATOM 0 HA SER A 37 61.854 8.239 -4.187 1.00 0.00 H new ATOM 0 HB2 SER A 37 59.382 7.662 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.029 7.386 -3.451 1.00 0.00 H new ATOM 0 HG SER A 37 58.676 9.606 -4.070 1.00 0.00 H new ATOM 565 N THR A 38 62.031 8.040 -1.723 1.00 0.00 N ATOM 566 CA THR A 38 62.298 7.794 -0.277 1.00 0.00 C ATOM 567 C THR A 38 61.018 7.337 0.429 1.00 0.00 C ATOM 568 O THR A 38 61.019 6.384 1.183 1.00 0.00 O ATOM 569 CB THR A 38 62.759 9.144 0.274 1.00 0.00 C ATOM 570 OG1 THR A 38 61.697 10.083 0.169 1.00 0.00 O ATOM 571 CG2 THR A 38 63.964 9.639 -0.528 1.00 0.00 C ATOM 0 H THR A 38 62.390 8.923 -2.087 1.00 0.00 H new ATOM 0 HA THR A 38 63.042 7.013 -0.122 1.00 0.00 H new ATOM 0 HB THR A 38 63.044 9.033 1.320 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.990 10.949 0.523 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.292 10.601 -0.135 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.777 8.917 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.683 9.752 -1.575 1.00 0.00 H new ATOM 579 N LYS A 39 59.924 8.010 0.192 1.00 0.00 N ATOM 580 CA LYS A 39 58.647 7.615 0.851 1.00 0.00 C ATOM 581 C LYS A 39 58.281 6.173 0.484 1.00 0.00 C ATOM 582 O LYS A 39 57.433 5.562 1.104 1.00 0.00 O ATOM 583 CB LYS A 39 57.602 8.589 0.307 1.00 0.00 C ATOM 584 CG LYS A 39 57.472 8.407 -1.206 1.00 0.00 C ATOM 585 CD LYS A 39 56.018 8.087 -1.559 1.00 0.00 C ATOM 586 CE LYS A 39 55.583 8.934 -2.756 1.00 0.00 C ATOM 587 NZ LYS A 39 54.394 8.230 -3.313 1.00 0.00 N ATOM 0 H LYS A 39 59.860 8.816 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 39 58.716 7.656 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 39 56.640 8.413 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.891 9.615 0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 39 57.791 9.313 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 39 58.125 7.602 -1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 39 55.915 7.028 -1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 39 55.373 8.289 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 39 55.333 9.950 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 39 56.379 9.010 -3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 54.037 8.751 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 54.664 7.268 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 53.650 8.179 -2.588 1.00 0.00 H new ATOM 601 N GLU A 40 58.913 5.624 -0.517 1.00 0.00 N ATOM 602 CA GLU A 40 58.596 4.223 -0.917 1.00 0.00 C ATOM 603 C GLU A 40 59.454 3.237 -0.120 1.00 0.00 C ATOM 604 O GLU A 40 58.983 2.209 0.325 1.00 0.00 O ATOM 605 CB GLU A 40 58.938 4.148 -2.406 1.00 0.00 C ATOM 606 CG GLU A 40 58.089 5.160 -3.179 1.00 0.00 C ATOM 607 CD GLU A 40 56.725 4.545 -3.499 1.00 0.00 C ATOM 608 OE1 GLU A 40 56.399 3.533 -2.902 1.00 0.00 O ATOM 609 OE2 GLU A 40 56.031 5.098 -4.336 1.00 0.00 O ATOM 0 H GLU A 40 59.633 6.083 -1.074 1.00 0.00 H new ATOM 0 HA GLU A 40 57.555 3.965 -0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 40 59.997 4.356 -2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.754 3.141 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.961 6.068 -2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 40 58.596 5.447 -4.101 1.00 0.00 H new ATOM 616 N LEU A 41 60.710 3.541 0.063 1.00 0.00 N ATOM 617 CA LEU A 41 61.598 2.619 0.830 1.00 0.00 C ATOM 618 C LEU A 41 60.870 2.088 2.070 1.00 0.00 C ATOM 619 O LEU A 41 60.979 0.928 2.416 1.00 0.00 O ATOM 620 CB LEU A 41 62.797 3.476 1.239 1.00 0.00 C ATOM 621 CG LEU A 41 64.092 2.748 0.874 1.00 0.00 C ATOM 622 CD1 LEU A 41 65.280 3.463 1.521 1.00 0.00 C ATOM 623 CD2 LEU A 41 64.027 1.307 1.383 1.00 0.00 C ATOM 0 H LEU A 41 61.160 4.387 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 41 61.897 1.751 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 41 62.756 4.442 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 41 62.768 3.674 2.311 1.00 0.00 H new ATOM 0 HG LEU A 41 64.215 2.747 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 41 66.203 2.944 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 41 65.327 4.490 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 41 65.158 3.465 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 41 64.949 0.787 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 41 63.904 1.309 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 41 63.181 0.796 0.923 1.00 0.00 H new ATOM 635 N GLY A 42 60.133 2.928 2.742 1.00 0.00 N ATOM 636 CA GLY A 42 59.402 2.472 3.958 1.00 0.00 C ATOM 637 C GLY A 42 58.688 1.151 3.669 1.00 0.00 C ATOM 638 O GLY A 42 58.961 0.140 4.285 1.00 0.00 O ATOM 0 H GLY A 42 60.005 3.911 2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 42 60.099 2.345 4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 42 58.678 3.228 4.263 1.00 0.00 H new ATOM 642 N LYS A 43 57.772 1.150 2.740 1.00 0.00 N ATOM 643 CA LYS A 43 57.039 -0.109 2.416 1.00 0.00 C ATOM 644 C LYS A 43 58.019 -1.204 1.987 1.00 0.00 C ATOM 645 O LYS A 43 57.847 -2.363 2.305 1.00 0.00 O ATOM 646 CB LYS A 43 56.109 0.261 1.258 1.00 0.00 C ATOM 647 CG LYS A 43 55.165 1.382 1.698 1.00 0.00 C ATOM 648 CD LYS A 43 54.364 0.926 2.920 1.00 0.00 C ATOM 649 CE LYS A 43 53.122 1.807 3.075 1.00 0.00 C ATOM 650 NZ LYS A 43 53.409 2.672 4.252 1.00 0.00 N ATOM 0 H LYS A 43 57.499 1.965 2.191 1.00 0.00 H new ATOM 0 HA LYS A 43 56.490 -0.497 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 43 56.694 0.582 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 43 55.534 -0.611 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 43 55.736 2.279 1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 43 54.489 1.643 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 43 54.071 -0.118 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 43 54.981 0.988 3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 43 52.947 2.404 2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 43 52.228 1.204 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 52.602 3.306 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 53.565 2.077 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 54.261 3.239 4.067 1.00 0.00 H new ATOM 664 N VAL A 44 59.045 -0.846 1.265 1.00 0.00 N ATOM 665 CA VAL A 44 60.033 -1.869 0.815 1.00 0.00 C ATOM 666 C VAL A 44 60.826 -2.404 2.012 1.00 0.00 C ATOM 667 O VAL A 44 61.277 -3.532 2.015 1.00 0.00 O ATOM 668 CB VAL A 44 60.951 -1.123 -0.157 1.00 0.00 C ATOM 669 CG1 VAL A 44 62.264 -1.890 -0.322 1.00 0.00 C ATOM 670 CG2 VAL A 44 60.259 -1.004 -1.517 1.00 0.00 C ATOM 0 H VAL A 44 59.243 0.109 0.967 1.00 0.00 H new ATOM 0 HA VAL A 44 59.557 -2.731 0.347 1.00 0.00 H new ATOM 0 HB VAL A 44 61.162 -0.129 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.913 -1.355 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.759 -1.977 0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 44 62.057 -2.886 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 44 60.910 -0.473 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 44 60.048 -2.000 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 44 59.325 -0.454 -1.403 1.00 0.00 H new ATOM 680 N MET A 45 61.001 -1.603 3.027 1.00 0.00 N ATOM 681 CA MET A 45 61.767 -2.071 4.218 1.00 0.00 C ATOM 682 C MET A 45 60.927 -3.056 5.036 1.00 0.00 C ATOM 683 O MET A 45 61.365 -4.142 5.359 1.00 0.00 O ATOM 684 CB MET A 45 62.051 -0.806 5.028 1.00 0.00 C ATOM 685 CG MET A 45 63.093 0.045 4.298 1.00 0.00 C ATOM 686 SD MET A 45 64.405 0.514 5.453 1.00 0.00 S ATOM 687 CE MET A 45 65.377 -1.007 5.320 1.00 0.00 C ATOM 0 H MET A 45 60.648 -0.648 3.084 1.00 0.00 H new ATOM 0 HA MET A 45 62.683 -2.592 3.940 1.00 0.00 H new ATOM 0 HB2 MET A 45 61.132 -0.236 5.166 1.00 0.00 H new ATOM 0 HB3 MET A 45 62.414 -1.071 6.021 1.00 0.00 H new ATOM 0 HG2 MET A 45 63.513 -0.513 3.461 1.00 0.00 H new ATOM 0 HG3 MET A 45 62.624 0.937 3.883 1.00 0.00 H new ATOM 0 HE1 MET A 45 66.254 -0.936 5.964 1.00 0.00 H new ATOM 0 HE2 MET A 45 64.768 -1.856 5.629 1.00 0.00 H new ATOM 0 HE3 MET A 45 65.696 -1.146 4.287 1.00 0.00 H new ATOM 697 N ARG A 46 59.723 -2.686 5.375 1.00 0.00 N ATOM 698 CA ARG A 46 58.859 -3.604 6.175 1.00 0.00 C ATOM 699 C ARG A 46 58.319 -4.734 5.293 1.00 0.00 C ATOM 700 O ARG A 46 57.568 -5.576 5.741 1.00 0.00 O ATOM 701 CB ARG A 46 57.713 -2.726 6.681 1.00 0.00 C ATOM 702 CG ARG A 46 57.035 -2.035 5.497 1.00 0.00 C ATOM 703 CD ARG A 46 55.558 -2.435 5.448 1.00 0.00 C ATOM 704 NE ARG A 46 55.001 -2.006 6.762 1.00 0.00 N ATOM 705 CZ ARG A 46 53.987 -2.642 7.281 1.00 0.00 C ATOM 706 NH1 ARG A 46 53.211 -3.364 6.518 1.00 0.00 N ATOM 707 NH2 ARG A 46 53.748 -2.558 8.561 1.00 0.00 N ATOM 0 H ARG A 46 59.299 -1.790 5.134 1.00 0.00 H new ATOM 0 HA ARG A 46 59.406 -4.076 6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 46 56.989 -3.333 7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 46 58.093 -1.982 7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 46 57.126 -0.953 5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 46 57.530 -2.315 4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 46 55.043 -1.945 4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 46 55.444 -3.509 5.302 1.00 0.00 H new ATOM 0 HE ARG A 46 55.413 -1.214 7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 46 53.398 -3.430 5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 46 52.418 -3.862 6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 46 54.354 -1.995 9.157 1.00 0.00 H new ATOM 0 HH22 ARG A 46 52.955 -3.056 8.965 1.00 0.00 H new ATOM 721 N MET A 47 58.697 -4.759 4.044 1.00 0.00 N ATOM 722 CA MET A 47 58.201 -5.836 3.138 1.00 0.00 C ATOM 723 C MET A 47 58.994 -7.128 3.360 1.00 0.00 C ATOM 724 O MET A 47 58.468 -8.217 3.239 1.00 0.00 O ATOM 725 CB MET A 47 58.435 -5.302 1.725 1.00 0.00 C ATOM 726 CG MET A 47 57.089 -5.011 1.059 1.00 0.00 C ATOM 727 SD MET A 47 57.370 -4.233 -0.551 1.00 0.00 S ATOM 728 CE MET A 47 58.308 -5.589 -1.298 1.00 0.00 C ATOM 0 H MET A 47 59.326 -4.082 3.612 1.00 0.00 H new ATOM 0 HA MET A 47 57.153 -6.074 3.318 1.00 0.00 H new ATOM 0 HB2 MET A 47 59.037 -4.394 1.763 1.00 0.00 H new ATOM 0 HB3 MET A 47 58.993 -6.031 1.137 1.00 0.00 H new ATOM 0 HG2 MET A 47 56.525 -5.935 0.935 1.00 0.00 H new ATOM 0 HG3 MET A 47 56.492 -4.356 1.693 1.00 0.00 H new ATOM 0 HE1 MET A 47 58.197 -5.554 -2.382 1.00 0.00 H new ATOM 0 HE2 MET A 47 59.362 -5.489 -1.037 1.00 0.00 H new ATOM 0 HE3 MET A 47 57.930 -6.541 -0.925 1.00 0.00 H new ATOM 738 N LEU A 48 60.254 -7.017 3.679 1.00 0.00 N ATOM 739 CA LEU A 48 61.074 -8.243 3.901 1.00 0.00 C ATOM 740 C LEU A 48 61.064 -8.632 5.383 1.00 0.00 C ATOM 741 O LEU A 48 61.278 -9.775 5.735 1.00 0.00 O ATOM 742 CB LEU A 48 62.486 -7.863 3.455 1.00 0.00 C ATOM 743 CG LEU A 48 62.666 -8.222 1.979 1.00 0.00 C ATOM 744 CD1 LEU A 48 62.190 -7.058 1.108 1.00 0.00 C ATOM 745 CD2 LEU A 48 64.145 -8.498 1.699 1.00 0.00 C ATOM 0 H LEU A 48 60.751 -6.134 3.795 1.00 0.00 H new ATOM 0 HA LEU A 48 60.689 -9.100 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 48 62.652 -6.796 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 48 63.224 -8.388 4.061 1.00 0.00 H new ATOM 0 HG LEU A 48 62.080 -9.111 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 48 62.318 -7.314 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 48 61.137 -6.861 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 48 62.775 -6.168 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.275 -8.754 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 48 64.731 -7.609 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.484 -9.328 2.319 1.00 0.00 H new ATOM 757 N GLY A 49 60.816 -7.692 6.254 1.00 0.00 N ATOM 758 CA GLY A 49 60.792 -8.016 7.709 1.00 0.00 C ATOM 759 C GLY A 49 61.542 -6.936 8.491 1.00 0.00 C ATOM 760 O GLY A 49 62.358 -7.228 9.342 1.00 0.00 O ATOM 0 H GLY A 49 60.629 -6.716 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 49 59.762 -8.083 8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 49 61.252 -8.989 7.882 1.00 0.00 H new ATOM 764 N GLN A 50 61.269 -5.691 8.214 1.00 0.00 N ATOM 765 CA GLN A 50 61.965 -4.593 8.946 1.00 0.00 C ATOM 766 C GLN A 50 60.939 -3.614 9.523 1.00 0.00 C ATOM 767 O GLN A 50 59.825 -3.518 9.048 1.00 0.00 O ATOM 768 CB GLN A 50 62.837 -3.903 7.897 1.00 0.00 C ATOM 769 CG GLN A 50 64.306 -3.984 8.320 1.00 0.00 C ATOM 770 CD GLN A 50 64.667 -5.436 8.637 1.00 0.00 C ATOM 771 OE1 GLN A 50 64.908 -5.780 9.776 1.00 0.00 O ATOM 772 NE2 GLN A 50 64.717 -6.310 7.668 1.00 0.00 N ATOM 0 H GLN A 50 60.594 -5.385 7.513 1.00 0.00 H new ATOM 0 HA GLN A 50 62.557 -4.964 9.783 1.00 0.00 H new ATOM 0 HB2 GLN A 50 62.701 -4.378 6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 50 62.536 -2.861 7.787 1.00 0.00 H new ATOM 0 HG2 GLN A 50 64.946 -3.605 7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 50 64.479 -3.356 9.194 1.00 0.00 H new ATOM 0 HE21 GLN A 50 64.515 -6.022 6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 50 64.958 -7.281 7.869 1.00 0.00 H new ATOM 781 N ASN A 51 61.304 -2.889 10.546 1.00 0.00 N ATOM 782 CA ASN A 51 60.344 -1.922 11.150 1.00 0.00 C ATOM 783 C ASN A 51 61.047 -0.596 11.457 1.00 0.00 C ATOM 784 O ASN A 51 61.010 -0.118 12.573 1.00 0.00 O ATOM 785 CB ASN A 51 59.870 -2.588 12.442 1.00 0.00 C ATOM 786 CG ASN A 51 59.394 -4.010 12.138 1.00 0.00 C ATOM 787 OD1 ASN A 51 60.155 -4.953 12.238 1.00 0.00 O ATOM 788 ND2 ASN A 51 58.158 -4.206 11.768 1.00 0.00 N ATOM 0 H ASN A 51 62.223 -2.924 10.988 1.00 0.00 H new ATOM 0 HA ASN A 51 59.515 -1.693 10.481 1.00 0.00 H new ATOM 0 HB2 ASN A 51 60.681 -2.612 13.170 1.00 0.00 H new ATOM 0 HB3 ASN A 51 59.060 -2.009 12.886 1.00 0.00 H new ATOM 0 HD21 ASN A 51 57.831 -5.150 11.563 1.00 0.00 H new ATOM 0 HD22 ASN A 51 57.519 -3.415 11.684 1.00 0.00 H new ATOM 795 N PRO A 52 61.664 -0.046 10.448 1.00 0.00 N ATOM 796 CA PRO A 52 62.384 1.242 10.604 1.00 0.00 C ATOM 797 C PRO A 52 61.386 2.398 10.724 1.00 0.00 C ATOM 798 O PRO A 52 60.435 2.489 9.975 1.00 0.00 O ATOM 799 CB PRO A 52 63.198 1.355 9.319 1.00 0.00 C ATOM 800 CG PRO A 52 62.461 0.524 8.317 1.00 0.00 C ATOM 801 CD PRO A 52 61.750 -0.565 9.078 1.00 0.00 C ATOM 0 HA PRO A 52 63.005 1.283 11.499 1.00 0.00 H new ATOM 0 HB2 PRO A 52 63.275 2.392 8.991 1.00 0.00 H new ATOM 0 HB3 PRO A 52 64.215 0.990 9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 52 61.748 1.133 7.761 1.00 0.00 H new ATOM 0 HG3 PRO A 52 63.151 0.097 7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 52 60.761 -0.761 8.663 1.00 0.00 H new ATOM 0 HD3 PRO A 52 62.303 -1.504 9.041 1.00 0.00 H new ATOM 809 N THR A 53 61.596 3.281 11.662 1.00 0.00 N ATOM 810 CA THR A 53 60.658 4.429 11.828 1.00 0.00 C ATOM 811 C THR A 53 60.779 5.388 10.641 1.00 0.00 C ATOM 812 O THR A 53 61.811 5.461 10.004 1.00 0.00 O ATOM 813 CB THR A 53 61.094 5.124 13.122 1.00 0.00 C ATOM 814 OG1 THR A 53 62.140 4.380 13.735 1.00 0.00 O ATOM 815 CG2 THR A 53 59.905 5.215 14.079 1.00 0.00 C ATOM 0 H THR A 53 62.375 3.258 12.320 1.00 0.00 H new ATOM 0 HA THR A 53 59.619 4.104 11.872 1.00 0.00 H new ATOM 0 HB THR A 53 61.452 6.127 12.890 1.00 0.00 H new ATOM 0 HG1 THR A 53 62.419 4.827 14.561 1.00 0.00 H new ATOM 0 HG21 THR A 53 60.216 5.709 14.999 1.00 0.00 H new ATOM 0 HG22 THR A 53 59.105 5.788 13.611 1.00 0.00 H new ATOM 0 HG23 THR A 53 59.546 4.212 14.309 1.00 0.00 H new ATOM 823 N PRO A 54 59.712 6.093 10.385 1.00 0.00 N ATOM 824 CA PRO A 54 59.692 7.065 9.263 1.00 0.00 C ATOM 825 C PRO A 54 60.535 8.295 9.610 1.00 0.00 C ATOM 826 O PRO A 54 61.283 8.797 8.794 1.00 0.00 O ATOM 827 CB PRO A 54 58.216 7.432 9.135 1.00 0.00 C ATOM 828 CG PRO A 54 57.632 7.170 10.486 1.00 0.00 C ATOM 829 CD PRO A 54 58.436 6.057 11.108 1.00 0.00 C ATOM 0 HA PRO A 54 60.107 6.664 8.338 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.093 8.476 8.848 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.725 6.831 8.370 1.00 0.00 H new ATOM 0 HG2 PRO A 54 57.673 8.067 11.104 1.00 0.00 H new ATOM 0 HG3 PRO A 54 56.582 6.888 10.404 1.00 0.00 H new ATOM 0 HD2 PRO A 54 58.578 6.217 12.177 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.939 5.094 10.993 1.00 0.00 H new ATOM 837 N GLU A 55 60.423 8.782 10.816 1.00 0.00 N ATOM 838 CA GLU A 55 61.222 9.977 11.213 1.00 0.00 C ATOM 839 C GLU A 55 62.718 9.676 11.084 1.00 0.00 C ATOM 840 O GLU A 55 63.526 10.565 10.900 1.00 0.00 O ATOM 841 CB GLU A 55 60.852 10.235 12.674 1.00 0.00 C ATOM 842 CG GLU A 55 61.739 11.348 13.237 1.00 0.00 C ATOM 843 CD GLU A 55 61.850 11.193 14.755 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.895 10.730 15.356 1.00 0.00 O ATOM 845 OE2 GLU A 55 62.889 11.542 15.291 1.00 0.00 O ATOM 0 H GLU A 55 59.814 8.405 11.542 1.00 0.00 H new ATOM 0 HA GLU A 55 61.014 10.841 10.582 1.00 0.00 H new ATOM 0 HB2 GLU A 55 59.802 10.519 12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 55 60.979 9.324 13.259 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.729 11.304 12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 55 61.318 12.323 12.990 1.00 0.00 H new ATOM 852 N GLU A 56 63.092 8.430 11.179 1.00 0.00 N ATOM 853 CA GLU A 56 64.535 8.072 11.060 1.00 0.00 C ATOM 854 C GLU A 56 64.936 7.981 9.586 1.00 0.00 C ATOM 855 O GLU A 56 65.994 8.428 9.192 1.00 0.00 O ATOM 856 CB GLU A 56 64.665 6.709 11.739 1.00 0.00 C ATOM 857 CG GLU A 56 64.490 6.871 13.251 1.00 0.00 C ATOM 858 CD GLU A 56 65.838 7.216 13.887 1.00 0.00 C ATOM 859 OE1 GLU A 56 66.587 7.958 13.273 1.00 0.00 O ATOM 860 OE2 GLU A 56 66.098 6.731 14.975 1.00 0.00 O ATOM 0 H GLU A 56 62.461 7.644 11.334 1.00 0.00 H new ATOM 0 HA GLU A 56 65.185 8.817 11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.914 6.023 11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 56 65.640 6.274 11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 56 63.765 7.657 13.462 1.00 0.00 H new ATOM 0 HG3 GLU A 56 64.097 5.951 13.683 1.00 0.00 H new ATOM 867 N LEU A 57 64.098 7.405 8.767 1.00 0.00 N ATOM 868 CA LEU A 57 64.434 7.286 7.319 1.00 0.00 C ATOM 869 C LEU A 57 64.963 8.623 6.790 1.00 0.00 C ATOM 870 O LEU A 57 66.121 8.749 6.444 1.00 0.00 O ATOM 871 CB LEU A 57 63.116 6.924 6.634 1.00 0.00 C ATOM 872 CG LEU A 57 63.260 5.572 5.934 1.00 0.00 C ATOM 873 CD1 LEU A 57 64.431 5.627 4.950 1.00 0.00 C ATOM 874 CD2 LEU A 57 63.524 4.485 6.978 1.00 0.00 C ATOM 0 H LEU A 57 63.196 7.012 9.037 1.00 0.00 H new ATOM 0 HA LEU A 57 65.207 6.540 7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 57 62.312 6.881 7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 57 62.847 7.693 5.910 1.00 0.00 H new ATOM 0 HG LEU A 57 62.342 5.344 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 57 64.533 4.663 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 57 64.245 6.402 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 57 65.350 5.855 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 57 63.627 3.520 6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 57 64.442 4.715 7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 57 62.691 4.444 7.680 1.00 0.00 H new ATOM 886 N GLN A 58 64.124 9.621 6.726 1.00 0.00 N ATOM 887 CA GLN A 58 64.583 10.946 6.222 1.00 0.00 C ATOM 888 C GLN A 58 65.933 11.305 6.848 1.00 0.00 C ATOM 889 O GLN A 58 66.747 11.981 6.251 1.00 0.00 O ATOM 890 CB GLN A 58 63.504 11.934 6.665 1.00 0.00 C ATOM 891 CG GLN A 58 62.811 12.521 5.433 1.00 0.00 C ATOM 892 CD GLN A 58 63.580 13.753 4.952 1.00 0.00 C ATOM 893 OE1 GLN A 58 64.586 14.117 5.526 1.00 0.00 O ATOM 894 NE2 GLN A 58 63.145 14.416 3.915 1.00 0.00 N ATOM 0 H GLN A 58 63.143 9.576 7.000 1.00 0.00 H new ATOM 0 HA GLN A 58 64.721 10.955 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 58 62.775 11.431 7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.949 12.732 7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 58 62.765 11.775 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 58 61.784 12.793 5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 58 62.300 14.111 3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 58 63.650 15.239 3.587 1.00 0.00 H new ATOM 903 N GLU A 59 66.177 10.855 8.049 1.00 0.00 N ATOM 904 CA GLU A 59 67.475 11.166 8.713 1.00 0.00 C ATOM 905 C GLU A 59 68.628 10.520 7.939 1.00 0.00 C ATOM 906 O GLU A 59 69.751 10.981 7.982 1.00 0.00 O ATOM 907 CB GLU A 59 67.360 10.557 10.111 1.00 0.00 C ATOM 908 CG GLU A 59 68.076 11.457 11.121 1.00 0.00 C ATOM 909 CD GLU A 59 68.677 10.597 12.234 1.00 0.00 C ATOM 910 OE1 GLU A 59 67.919 10.119 13.062 1.00 0.00 O ATOM 911 OE2 GLU A 59 69.886 10.430 12.238 1.00 0.00 O ATOM 0 H GLU A 59 65.534 10.286 8.599 1.00 0.00 H new ATOM 0 HA GLU A 59 67.676 12.237 8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 59 66.311 10.447 10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 59 67.799 9.559 10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 59 68.861 12.027 10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 59 67.376 12.178 11.542 1.00 0.00 H new ATOM 918 N MET A 60 68.356 9.456 7.233 1.00 0.00 N ATOM 919 CA MET A 60 69.435 8.780 6.456 1.00 0.00 C ATOM 920 C MET A 60 69.478 9.327 5.027 1.00 0.00 C ATOM 921 O MET A 60 70.531 9.468 4.437 1.00 0.00 O ATOM 922 CB MET A 60 69.051 7.300 6.452 1.00 0.00 C ATOM 923 CG MET A 60 69.371 6.683 7.815 1.00 0.00 C ATOM 924 SD MET A 60 69.857 4.953 7.596 1.00 0.00 S ATOM 925 CE MET A 60 68.254 4.215 7.997 1.00 0.00 C ATOM 0 H MET A 60 67.434 9.026 7.160 1.00 0.00 H new ATOM 0 HA MET A 60 70.422 8.944 6.889 1.00 0.00 H new ATOM 0 HB2 MET A 60 67.989 7.190 6.232 1.00 0.00 H new ATOM 0 HB3 MET A 60 69.595 6.775 5.667 1.00 0.00 H new ATOM 0 HG2 MET A 60 70.174 7.239 8.298 1.00 0.00 H new ATOM 0 HG3 MET A 60 68.501 6.747 8.468 1.00 0.00 H new ATOM 0 HE1 MET A 60 68.159 3.254 7.491 1.00 0.00 H new ATOM 0 HE2 MET A 60 68.181 4.066 9.074 1.00 0.00 H new ATOM 0 HE3 MET A 60 67.455 4.879 7.668 1.00 0.00 H new ATOM 935 N ILE A 61 68.341 9.637 4.466 1.00 0.00 N ATOM 936 CA ILE A 61 68.319 10.174 3.075 1.00 0.00 C ATOM 937 C ILE A 61 69.062 11.512 3.013 1.00 0.00 C ATOM 938 O ILE A 61 69.602 11.886 1.992 1.00 0.00 O ATOM 939 CB ILE A 61 66.839 10.365 2.743 1.00 0.00 C ATOM 940 CG1 ILE A 61 66.168 8.995 2.616 1.00 0.00 C ATOM 941 CG2 ILE A 61 66.706 11.122 1.420 1.00 0.00 C ATOM 942 CD1 ILE A 61 64.835 9.006 3.367 1.00 0.00 C ATOM 0 H ILE A 61 67.427 9.542 4.910 1.00 0.00 H new ATOM 0 HA ILE A 61 68.810 9.505 2.368 1.00 0.00 H new ATOM 0 HB ILE A 61 66.358 10.936 3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 61 66.003 8.755 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 61 66.819 8.221 3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.651 11.258 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.187 12.096 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.186 10.552 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.358 8.030 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 61 65.012 9.226 4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.184 9.769 2.941 1.00 0.00 H new ATOM 954 N ASP A 62 69.095 12.234 4.100 1.00 0.00 N ATOM 955 CA ASP A 62 69.807 13.543 4.099 1.00 0.00 C ATOM 956 C ASP A 62 71.286 13.333 3.761 1.00 0.00 C ATOM 957 O ASP A 62 71.919 14.172 3.152 1.00 0.00 O ATOM 958 CB ASP A 62 69.653 14.082 5.523 1.00 0.00 C ATOM 959 CG ASP A 62 69.428 15.594 5.475 1.00 0.00 C ATOM 960 OD1 ASP A 62 69.579 16.162 4.405 1.00 0.00 O ATOM 961 OD2 ASP A 62 69.108 16.159 6.507 1.00 0.00 O ATOM 0 H ASP A 62 68.661 11.975 4.986 1.00 0.00 H new ATOM 0 HA ASP A 62 69.404 14.234 3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 62 68.814 13.594 6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 62 70.544 13.855 6.108 1.00 0.00 H new ATOM 966 N GLU A 63 71.835 12.216 4.150 1.00 0.00 N ATOM 967 CA GLU A 63 73.267 11.944 3.851 1.00 0.00 C ATOM 968 C GLU A 63 73.373 11.067 2.597 1.00 0.00 C ATOM 969 O GLU A 63 74.377 11.066 1.910 1.00 0.00 O ATOM 970 CB GLU A 63 73.786 11.218 5.104 1.00 0.00 C ATOM 971 CG GLU A 63 74.831 10.165 4.723 1.00 0.00 C ATOM 972 CD GLU A 63 75.663 9.801 5.954 1.00 0.00 C ATOM 973 OE1 GLU A 63 75.706 10.602 6.874 1.00 0.00 O ATOM 974 OE2 GLU A 63 76.244 8.728 5.956 1.00 0.00 O ATOM 0 H GLU A 63 71.352 11.479 4.663 1.00 0.00 H new ATOM 0 HA GLU A 63 73.848 12.843 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 63 74.224 11.940 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 63 72.955 10.742 5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 63 74.339 9.276 4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 63 75.478 10.549 3.934 1.00 0.00 H new ATOM 981 N VAL A 64 72.345 10.324 2.293 1.00 0.00 N ATOM 982 CA VAL A 64 72.384 9.451 1.085 1.00 0.00 C ATOM 983 C VAL A 64 71.975 10.253 -0.153 1.00 0.00 C ATOM 984 O VAL A 64 72.632 10.216 -1.175 1.00 0.00 O ATOM 985 CB VAL A 64 71.368 8.344 1.362 1.00 0.00 C ATOM 986 CG1 VAL A 64 71.301 7.402 0.159 1.00 0.00 C ATOM 987 CG2 VAL A 64 71.795 7.557 2.603 1.00 0.00 C ATOM 0 H VAL A 64 71.478 10.283 2.829 1.00 0.00 H new ATOM 0 HA VAL A 64 73.380 9.051 0.895 1.00 0.00 H new ATOM 0 HB VAL A 64 70.387 8.786 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 64 70.576 6.612 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.996 7.962 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.283 6.960 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 64 71.070 6.767 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 64 72.776 7.114 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 64 71.843 8.228 3.461 1.00 0.00 H new ATOM 997 N ASP A 65 70.894 10.977 -0.067 1.00 0.00 N ATOM 998 CA ASP A 65 70.439 11.783 -1.236 1.00 0.00 C ATOM 999 C ASP A 65 70.878 13.240 -1.072 1.00 0.00 C ATOM 1000 O ASP A 65 70.092 14.156 -1.212 1.00 0.00 O ATOM 1001 CB ASP A 65 68.914 11.678 -1.218 1.00 0.00 C ATOM 1002 CG ASP A 65 68.488 10.343 -1.834 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.442 10.262 -3.050 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.215 9.426 -1.078 1.00 0.00 O ATOM 0 H ASP A 65 70.305 11.046 0.763 1.00 0.00 H new ATOM 0 HA ASP A 65 70.861 11.426 -2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.546 11.753 -0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.475 12.505 -1.776 1.00 0.00 H new ATOM 1009 N GLU A 66 72.129 13.460 -0.775 1.00 0.00 N ATOM 1010 CA GLU A 66 72.620 14.856 -0.600 1.00 0.00 C ATOM 1011 C GLU A 66 72.608 15.597 -1.940 1.00 0.00 C ATOM 1012 O GLU A 66 72.511 16.808 -1.989 1.00 0.00 O ATOM 1013 CB GLU A 66 74.052 14.708 -0.083 1.00 0.00 C ATOM 1014 CG GLU A 66 74.320 15.762 0.992 1.00 0.00 C ATOM 1015 CD GLU A 66 75.504 15.320 1.854 1.00 0.00 C ATOM 1016 OE1 GLU A 66 75.423 14.247 2.431 1.00 0.00 O ATOM 1017 OE2 GLU A 66 76.470 16.060 1.923 1.00 0.00 O ATOM 0 H GLU A 66 72.833 12.733 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 66 71.995 15.430 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 66 74.200 13.709 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 66 74.760 14.823 -0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 66 74.534 16.725 0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 66 73.434 15.897 1.613 1.00 0.00 H new ATOM 1024 N ASP A 67 72.706 14.881 -3.027 1.00 0.00 N ATOM 1025 CA ASP A 67 72.701 15.548 -4.360 1.00 0.00 C ATOM 1026 C ASP A 67 72.205 14.581 -5.437 1.00 0.00 C ATOM 1027 O ASP A 67 72.459 14.764 -6.612 1.00 0.00 O ATOM 1028 CB ASP A 67 74.160 15.933 -4.614 1.00 0.00 C ATOM 1029 CG ASP A 67 74.238 16.874 -5.816 1.00 0.00 C ATOM 1030 OD1 ASP A 67 73.242 17.513 -6.110 1.00 0.00 O ATOM 1031 OD2 ASP A 67 75.295 16.940 -6.423 1.00 0.00 O ATOM 0 H ASP A 67 72.789 13.865 -3.050 1.00 0.00 H new ATOM 0 HA ASP A 67 72.039 16.414 -4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 67 74.578 16.418 -3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 67 74.756 15.039 -4.799 1.00 0.00 H new ATOM 1036 N GLY A 68 71.501 13.554 -5.051 1.00 0.00 N ATOM 1037 CA GLY A 68 70.991 12.580 -6.056 1.00 0.00 C ATOM 1038 C GLY A 68 69.633 13.050 -6.580 1.00 0.00 C ATOM 1039 O GLY A 68 69.533 13.627 -7.644 1.00 0.00 O ATOM 0 H GLY A 68 71.257 13.347 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 68 71.698 12.488 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 68 70.896 11.592 -5.605 1.00 0.00 H new ATOM 1043 N SER A 69 68.586 12.808 -5.841 1.00 0.00 N ATOM 1044 CA SER A 69 67.234 13.241 -6.295 1.00 0.00 C ATOM 1045 C SER A 69 66.160 12.677 -5.361 1.00 0.00 C ATOM 1046 O SER A 69 65.186 12.099 -5.800 1.00 0.00 O ATOM 1047 CB SER A 69 67.081 12.659 -7.699 1.00 0.00 C ATOM 1048 OG SER A 69 66.996 13.720 -8.641 1.00 0.00 O ATOM 0 H SER A 69 68.608 12.328 -4.941 1.00 0.00 H new ATOM 0 HA SER A 69 67.124 14.325 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.930 12.017 -7.933 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.187 12.038 -7.752 1.00 0.00 H new ATOM 0 HG SER A 69 67.865 14.168 -8.709 1.00 0.00 H new ATOM 1054 N GLY A 70 66.330 12.841 -4.077 1.00 0.00 N ATOM 1055 CA GLY A 70 65.319 12.313 -3.119 1.00 0.00 C ATOM 1056 C GLY A 70 64.910 10.901 -3.541 1.00 0.00 C ATOM 1057 O GLY A 70 63.769 10.507 -3.404 1.00 0.00 O ATOM 0 H GLY A 70 67.125 13.318 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 70 65.731 12.298 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 70 64.446 12.966 -3.098 1.00 0.00 H new ATOM 1061 N THR A 71 65.834 10.138 -4.057 1.00 0.00 N ATOM 1062 CA THR A 71 65.501 8.750 -4.491 1.00 0.00 C ATOM 1063 C THR A 71 66.714 7.835 -4.304 1.00 0.00 C ATOM 1064 O THR A 71 67.843 8.239 -4.494 1.00 0.00 O ATOM 1065 CB THR A 71 65.146 8.876 -5.974 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.077 9.738 -6.610 1.00 0.00 O ATOM 1067 CG2 THR A 71 63.734 9.450 -6.117 1.00 0.00 C ATOM 0 H THR A 71 66.806 10.415 -4.197 1.00 0.00 H new ATOM 0 HA THR A 71 64.685 8.318 -3.912 1.00 0.00 H new ATOM 0 HB THR A 71 65.184 7.892 -6.442 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.706 10.644 -6.654 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.483 9.539 -7.174 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.020 8.786 -5.629 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.692 10.434 -5.650 1.00 0.00 H new ATOM 1075 N VAL A 72 66.489 6.604 -3.934 1.00 0.00 N ATOM 1076 CA VAL A 72 67.637 5.668 -3.736 1.00 0.00 C ATOM 1077 C VAL A 72 67.700 4.636 -4.858 1.00 0.00 C ATOM 1078 O VAL A 72 66.694 4.224 -5.401 1.00 0.00 O ATOM 1079 CB VAL A 72 67.394 4.961 -2.399 1.00 0.00 C ATOM 1080 CG1 VAL A 72 67.923 5.832 -1.265 1.00 0.00 C ATOM 1081 CG2 VAL A 72 65.898 4.702 -2.190 1.00 0.00 C ATOM 0 H VAL A 72 65.566 6.206 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 72 68.581 6.213 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 72 67.915 4.004 -2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.752 5.332 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 72 68.992 5.997 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.404 6.791 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 72 65.746 4.199 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.361 5.651 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.522 4.072 -2.996 1.00 0.00 H new ATOM 1091 N ASP A 73 68.882 4.202 -5.189 1.00 0.00 N ATOM 1092 CA ASP A 73 69.035 3.177 -6.255 1.00 0.00 C ATOM 1093 C ASP A 73 69.613 1.903 -5.640 1.00 0.00 C ATOM 1094 O ASP A 73 69.642 1.747 -4.435 1.00 0.00 O ATOM 1095 CB ASP A 73 70.014 3.787 -7.259 1.00 0.00 C ATOM 1096 CG ASP A 73 69.802 3.148 -8.633 1.00 0.00 C ATOM 1097 OD1 ASP A 73 69.606 1.944 -8.680 1.00 0.00 O ATOM 1098 OD2 ASP A 73 69.840 3.872 -9.613 1.00 0.00 O ATOM 0 H ASP A 73 69.754 4.516 -4.764 1.00 0.00 H new ATOM 0 HA ASP A 73 68.091 2.914 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 73 69.864 4.865 -7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 73 71.039 3.627 -6.926 1.00 0.00 H new ATOM 1103 N PHE A 74 70.075 0.992 -6.444 1.00 0.00 N ATOM 1104 CA PHE A 74 70.650 -0.261 -5.880 1.00 0.00 C ATOM 1105 C PHE A 74 71.884 0.062 -5.035 1.00 0.00 C ATOM 1106 O PHE A 74 72.163 -0.590 -4.048 1.00 0.00 O ATOM 1107 CB PHE A 74 71.035 -1.103 -7.096 1.00 0.00 C ATOM 1108 CG PHE A 74 70.504 -2.504 -6.923 1.00 0.00 C ATOM 1109 CD1 PHE A 74 69.156 -2.706 -6.606 1.00 0.00 C ATOM 1110 CD2 PHE A 74 71.358 -3.600 -7.081 1.00 0.00 C ATOM 1111 CE1 PHE A 74 68.662 -4.007 -6.447 1.00 0.00 C ATOM 1112 CE2 PHE A 74 70.865 -4.901 -6.923 1.00 0.00 C ATOM 1113 CZ PHE A 74 69.517 -5.105 -6.606 1.00 0.00 C ATOM 0 H PHE A 74 70.081 1.057 -7.462 1.00 0.00 H new ATOM 0 HA PHE A 74 69.948 -0.784 -5.231 1.00 0.00 H new ATOM 0 HB2 PHE A 74 70.629 -0.658 -8.004 1.00 0.00 H new ATOM 0 HB3 PHE A 74 72.119 -1.124 -7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 74 68.497 -1.859 -6.484 1.00 0.00 H new ATOM 0 HD2 PHE A 74 72.398 -3.443 -7.325 1.00 0.00 H new ATOM 0 HE1 PHE A 74 67.622 -4.164 -6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 74 71.525 -5.747 -7.046 1.00 0.00 H new ATOM 0 HZ PHE A 74 69.136 -6.108 -6.484 1.00 0.00 H new ATOM 1123 N ASP A 75 72.624 1.066 -5.416 1.00 0.00 N ATOM 1124 CA ASP A 75 73.842 1.436 -4.637 1.00 0.00 C ATOM 1125 C ASP A 75 73.451 2.043 -3.286 1.00 0.00 C ATOM 1126 O ASP A 75 73.981 1.678 -2.256 1.00 0.00 O ATOM 1127 CB ASP A 75 74.566 2.470 -5.500 1.00 0.00 C ATOM 1128 CG ASP A 75 76.076 2.254 -5.399 1.00 0.00 C ATOM 1129 OD1 ASP A 75 76.487 1.108 -5.320 1.00 0.00 O ATOM 1130 OD2 ASP A 75 76.797 3.238 -5.402 1.00 0.00 O ATOM 0 H ASP A 75 72.439 1.647 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 75 74.469 0.571 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 75 74.244 2.382 -6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 75 74.310 3.477 -5.171 1.00 0.00 H new ATOM 1135 N GLU A 76 72.531 2.969 -3.280 1.00 0.00 N ATOM 1136 CA GLU A 76 72.116 3.595 -1.992 1.00 0.00 C ATOM 1137 C GLU A 76 71.214 2.641 -1.204 1.00 0.00 C ATOM 1138 O GLU A 76 71.461 2.351 -0.051 1.00 0.00 O ATOM 1139 CB GLU A 76 71.348 4.854 -2.392 1.00 0.00 C ATOM 1140 CG GLU A 76 72.281 5.804 -3.147 1.00 0.00 C ATOM 1141 CD GLU A 76 71.460 6.690 -4.086 1.00 0.00 C ATOM 1142 OE1 GLU A 76 70.752 6.145 -4.915 1.00 0.00 O ATOM 1143 OE2 GLU A 76 71.554 7.900 -3.959 1.00 0.00 O ATOM 0 H GLU A 76 72.050 3.318 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 76 72.968 3.824 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.496 4.589 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 76 70.950 5.347 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 76 72.837 6.421 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 76 73.014 5.233 -3.717 1.00 0.00 H new ATOM 1150 N PHE A 77 70.172 2.150 -1.817 1.00 0.00 N ATOM 1151 CA PHE A 77 69.261 1.215 -1.098 1.00 0.00 C ATOM 1152 C PHE A 77 70.075 0.143 -0.368 1.00 0.00 C ATOM 1153 O PHE A 77 69.999 0.006 0.837 1.00 0.00 O ATOM 1154 CB PHE A 77 68.399 0.581 -2.189 1.00 0.00 C ATOM 1155 CG PHE A 77 67.564 -0.523 -1.588 1.00 0.00 C ATOM 1156 CD1 PHE A 77 66.906 -0.316 -0.369 1.00 0.00 C ATOM 1157 CD2 PHE A 77 67.450 -1.753 -2.246 1.00 0.00 C ATOM 1158 CE1 PHE A 77 66.133 -1.341 0.190 1.00 0.00 C ATOM 1159 CE2 PHE A 77 66.676 -2.777 -1.686 1.00 0.00 C ATOM 1160 CZ PHE A 77 66.018 -2.571 -0.468 1.00 0.00 C ATOM 0 H PHE A 77 69.912 2.355 -2.782 1.00 0.00 H new ATOM 0 HA PHE A 77 68.657 1.724 -0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 77 67.754 1.334 -2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 77 69.031 0.183 -2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 77 66.995 0.633 0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 77 67.959 -1.912 -3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 77 65.625 -1.182 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 77 66.587 -3.726 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 77 65.422 -3.361 -0.036 1.00 0.00 H new ATOM 1170 N LEU A 78 70.856 -0.616 -1.089 1.00 0.00 N ATOM 1171 CA LEU A 78 71.675 -1.677 -0.435 1.00 0.00 C ATOM 1172 C LEU A 78 72.305 -1.139 0.852 1.00 0.00 C ATOM 1173 O LEU A 78 72.231 -1.757 1.895 1.00 0.00 O ATOM 1174 CB LEU A 78 72.755 -2.029 -1.457 1.00 0.00 C ATOM 1175 CG LEU A 78 72.270 -3.182 -2.337 1.00 0.00 C ATOM 1176 CD1 LEU A 78 73.145 -3.272 -3.590 1.00 0.00 C ATOM 1177 CD2 LEU A 78 72.366 -4.495 -1.555 1.00 0.00 C ATOM 0 H LEU A 78 70.962 -0.547 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 78 71.080 -2.547 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 78 72.985 -1.160 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 78 73.676 -2.310 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 78 71.235 -3.005 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 78 72.799 -4.094 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 78 73.079 -2.338 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 78 74.180 -3.449 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 78 72.021 -5.318 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 78 73.402 -4.670 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 78 71.744 -4.433 -0.662 1.00 0.00 H new ATOM 1189 N VAL A 79 72.923 0.009 0.786 1.00 0.00 N ATOM 1190 CA VAL A 79 73.555 0.585 2.009 1.00 0.00 C ATOM 1191 C VAL A 79 72.498 0.799 3.095 1.00 0.00 C ATOM 1192 O VAL A 79 72.750 0.599 4.268 1.00 0.00 O ATOM 1193 CB VAL A 79 74.141 1.923 1.561 1.00 0.00 C ATOM 1194 CG1 VAL A 79 74.874 2.578 2.732 1.00 0.00 C ATOM 1195 CG2 VAL A 79 75.124 1.689 0.412 1.00 0.00 C ATOM 0 H VAL A 79 73.018 0.572 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 79 74.317 -0.071 2.429 1.00 0.00 H new ATOM 0 HB VAL A 79 73.336 2.577 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 79 75.292 3.532 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 79 74.175 2.745 3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 79 75.679 1.924 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 79 75.543 2.643 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 79 75.928 1.035 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 79 74.602 1.223 -0.424 1.00 0.00 H new ATOM 1205 N MET A 80 71.316 1.201 2.715 1.00 0.00 N ATOM 1206 CA MET A 80 70.245 1.424 3.729 1.00 0.00 C ATOM 1207 C MET A 80 69.905 0.106 4.429 1.00 0.00 C ATOM 1208 O MET A 80 69.529 0.084 5.584 1.00 0.00 O ATOM 1209 CB MET A 80 69.045 1.935 2.931 1.00 0.00 C ATOM 1210 CG MET A 80 69.031 3.464 2.955 1.00 0.00 C ATOM 1211 SD MET A 80 67.541 4.042 3.804 1.00 0.00 S ATOM 1212 CE MET A 80 67.311 5.563 2.851 1.00 0.00 C ATOM 0 H MET A 80 71.045 1.384 1.749 1.00 0.00 H new ATOM 0 HA MET A 80 70.546 2.129 4.504 1.00 0.00 H new ATOM 0 HB2 MET A 80 69.099 1.577 1.903 1.00 0.00 H new ATOM 0 HB3 MET A 80 68.120 1.545 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 80 69.920 3.838 3.463 1.00 0.00 H new ATOM 0 HG3 MET A 80 69.057 3.854 1.938 1.00 0.00 H new ATOM 0 HE1 MET A 80 66.319 5.969 3.048 1.00 0.00 H new ATOM 0 HE2 MET A 80 68.066 6.293 3.142 1.00 0.00 H new ATOM 0 HE3 MET A 80 67.409 5.344 1.788 1.00 0.00 H new ATOM 1222 N MET A 81 70.040 -0.994 3.739 1.00 0.00 N ATOM 1223 CA MET A 81 69.729 -2.310 4.367 1.00 0.00 C ATOM 1224 C MET A 81 70.857 -2.714 5.319 1.00 0.00 C ATOM 1225 O MET A 81 70.627 -3.038 6.468 1.00 0.00 O ATOM 1226 CB MET A 81 69.633 -3.292 3.200 1.00 0.00 C ATOM 1227 CG MET A 81 68.215 -3.859 3.123 1.00 0.00 C ATOM 1228 SD MET A 81 67.829 -4.725 4.664 1.00 0.00 S ATOM 1229 CE MET A 81 66.323 -5.550 4.090 1.00 0.00 C ATOM 0 H MET A 81 70.352 -1.038 2.769 1.00 0.00 H new ATOM 0 HA MET A 81 68.810 -2.285 4.953 1.00 0.00 H new ATOM 0 HB2 MET A 81 69.886 -2.789 2.267 1.00 0.00 H new ATOM 0 HB3 MET A 81 70.352 -4.100 3.331 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.499 -3.055 2.956 1.00 0.00 H new ATOM 0 HG3 MET A 81 68.130 -4.542 2.278 1.00 0.00 H new ATOM 0 HE1 MET A 81 65.524 -5.395 4.816 1.00 0.00 H new ATOM 0 HE2 MET A 81 66.025 -5.134 3.128 1.00 0.00 H new ATOM 0 HE3 MET A 81 66.512 -6.618 3.981 1.00 0.00 H new ATOM 1239 N VAL A 82 72.075 -2.693 4.851 1.00 0.00 N ATOM 1240 CA VAL A 82 73.219 -3.072 5.729 1.00 0.00 C ATOM 1241 C VAL A 82 73.369 -2.052 6.861 1.00 0.00 C ATOM 1242 O VAL A 82 74.006 -2.310 7.862 1.00 0.00 O ATOM 1243 CB VAL A 82 74.443 -3.042 4.815 1.00 0.00 C ATOM 1244 CG1 VAL A 82 74.145 -3.823 3.535 1.00 0.00 C ATOM 1245 CG2 VAL A 82 74.778 -1.591 4.462 1.00 0.00 C ATOM 0 H VAL A 82 72.328 -2.430 3.899 1.00 0.00 H new ATOM 0 HA VAL A 82 73.082 -4.048 6.194 1.00 0.00 H new ATOM 0 HB VAL A 82 75.291 -3.497 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 82 75.019 -3.801 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 82 73.906 -4.856 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 82 73.298 -3.369 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 82 75.651 -1.567 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 82 73.930 -1.136 3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 82 74.992 -1.035 5.375 1.00 0.00 H new ATOM 1255 N ARG A 83 72.786 -0.895 6.707 1.00 0.00 N ATOM 1256 CA ARG A 83 72.895 0.143 7.772 1.00 0.00 C ATOM 1257 C ARG A 83 71.905 -0.156 8.902 1.00 0.00 C ATOM 1258 O ARG A 83 71.997 0.395 9.982 1.00 0.00 O ATOM 1259 CB ARG A 83 72.537 1.458 7.079 1.00 0.00 C ATOM 1260 CG ARG A 83 72.474 2.580 8.117 1.00 0.00 C ATOM 1261 CD ARG A 83 73.846 2.746 8.772 1.00 0.00 C ATOM 1262 NE ARG A 83 73.949 4.196 9.090 1.00 0.00 N ATOM 1263 CZ ARG A 83 75.036 4.854 8.787 1.00 0.00 C ATOM 1264 NH1 ARG A 83 76.178 4.505 9.314 1.00 0.00 N ATOM 1265 NH2 ARG A 83 74.980 5.860 7.958 1.00 0.00 N ATOM 0 H ARG A 83 72.239 -0.623 5.890 1.00 0.00 H new ATOM 0 HA ARG A 83 73.888 0.176 8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 83 73.280 1.694 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 83 71.578 1.364 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 83 72.171 3.513 7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 83 71.724 2.349 8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 83 73.929 2.138 9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 83 74.645 2.432 8.100 1.00 0.00 H new ATOM 0 HE ARG A 83 73.172 4.676 9.544 1.00 0.00 H new ATOM 0 HH11 ARG A 83 76.221 3.719 9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 83 77.027 5.019 9.078 1.00 0.00 H new ATOM 0 HH21 ARG A 83 74.087 6.133 7.547 1.00 0.00 H new ATOM 0 HH22 ARG A 83 75.829 6.374 7.721 1.00 0.00 H new ATOM 1279 N CYS A 84 70.961 -1.023 8.663 1.00 0.00 N ATOM 1280 CA CYS A 84 69.967 -1.356 9.724 1.00 0.00 C ATOM 1281 C CYS A 84 70.002 -2.855 10.032 1.00 0.00 C ATOM 1282 O CYS A 84 69.193 -3.363 10.783 1.00 0.00 O ATOM 1283 CB CYS A 84 68.613 -0.961 9.136 1.00 0.00 C ATOM 1284 SG CYS A 84 68.434 0.839 9.188 1.00 0.00 S ATOM 0 H CYS A 84 70.834 -1.516 7.779 1.00 0.00 H new ATOM 0 HA CYS A 84 70.173 -0.836 10.660 1.00 0.00 H new ATOM 0 HB2 CYS A 84 68.534 -1.315 8.108 1.00 0.00 H new ATOM 0 HB3 CYS A 84 67.808 -1.434 9.699 1.00 0.00 H new ATOM 0 HG CYS A 84 69.386 1.390 8.495 1.00 0.00 H new ATOM 1290 N MET A 85 70.933 -3.566 9.456 1.00 0.00 N ATOM 1291 CA MET A 85 71.017 -5.031 9.717 1.00 0.00 C ATOM 1292 C MET A 85 71.766 -5.293 11.027 1.00 0.00 C ATOM 1293 O MET A 85 72.264 -4.383 11.660 1.00 0.00 O ATOM 1294 CB MET A 85 71.797 -5.600 8.531 1.00 0.00 C ATOM 1295 CG MET A 85 70.819 -6.178 7.505 1.00 0.00 C ATOM 1296 SD MET A 85 71.634 -6.293 5.894 1.00 0.00 S ATOM 1297 CE MET A 85 70.496 -7.486 5.147 1.00 0.00 C ATOM 0 H MET A 85 71.637 -3.197 8.817 1.00 0.00 H new ATOM 0 HA MET A 85 70.033 -5.490 9.816 1.00 0.00 H new ATOM 0 HB2 MET A 85 72.402 -4.818 8.072 1.00 0.00 H new ATOM 0 HB3 MET A 85 72.483 -6.375 8.872 1.00 0.00 H new ATOM 0 HG2 MET A 85 70.480 -7.164 7.824 1.00 0.00 H new ATOM 0 HG3 MET A 85 69.935 -5.545 7.433 1.00 0.00 H new ATOM 0 HE1 MET A 85 70.730 -7.598 4.088 1.00 0.00 H new ATOM 0 HE2 MET A 85 70.600 -8.450 5.646 1.00 0.00 H new ATOM 0 HE3 MET A 85 69.472 -7.130 5.256 1.00 0.00 H new ATOM 1307 N LYS A 86 71.849 -6.528 11.439 1.00 0.00 N ATOM 1308 CA LYS A 86 72.564 -6.844 12.708 1.00 0.00 C ATOM 1309 C LYS A 86 71.825 -6.224 13.898 1.00 0.00 C ATOM 1310 O LYS A 86 71.571 -5.037 13.933 1.00 0.00 O ATOM 1311 CB LYS A 86 73.948 -6.213 12.549 1.00 0.00 C ATOM 1312 CG LYS A 86 75.006 -7.149 13.134 1.00 0.00 C ATOM 1313 CD LYS A 86 76.349 -6.896 12.445 1.00 0.00 C ATOM 1314 CE LYS A 86 77.005 -5.650 13.043 1.00 0.00 C ATOM 1315 NZ LYS A 86 78.452 -5.784 12.716 1.00 0.00 N ATOM 0 H LYS A 86 71.453 -7.332 10.952 1.00 0.00 H new ATOM 0 HA LYS A 86 72.624 -7.916 12.894 1.00 0.00 H new ATOM 0 HB2 LYS A 86 74.155 -6.026 11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 86 73.980 -5.249 13.056 1.00 0.00 H new ATOM 0 HG2 LYS A 86 75.099 -6.984 14.207 1.00 0.00 H new ATOM 0 HG3 LYS A 86 74.704 -8.187 12.996 1.00 0.00 H new ATOM 0 HD2 LYS A 86 77.002 -7.759 12.571 1.00 0.00 H new ATOM 0 HD3 LYS A 86 76.200 -6.762 11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 86 76.586 -4.739 12.615 1.00 0.00 H new ATOM 0 HE3 LYS A 86 76.847 -5.599 14.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 78.971 -4.965 13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 78.825 -6.657 13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 78.572 -5.824 11.684 1.00 0.00 H new ATOM 1329 N ASP A 87 71.479 -7.020 14.873 1.00 0.00 N ATOM 1330 CA ASP A 87 70.757 -6.476 16.059 1.00 0.00 C ATOM 1331 C ASP A 87 71.442 -5.199 16.556 1.00 0.00 C ATOM 1332 O ASP A 87 70.809 -4.311 17.090 1.00 0.00 O ATOM 1333 CB ASP A 87 70.844 -7.577 17.117 1.00 0.00 C ATOM 1334 CG ASP A 87 69.729 -8.598 16.884 1.00 0.00 C ATOM 1335 OD1 ASP A 87 69.418 -8.854 15.733 1.00 0.00 O ATOM 1336 OD2 ASP A 87 69.205 -9.105 17.863 1.00 0.00 O ATOM 0 H ASP A 87 71.665 -8.023 14.900 1.00 0.00 H new ATOM 0 HA ASP A 87 69.725 -6.214 15.828 1.00 0.00 H new ATOM 0 HB2 ASP A 87 71.816 -8.067 17.068 1.00 0.00 H new ATOM 0 HB3 ASP A 87 70.754 -7.146 18.114 1.00 0.00 H new ATOM 1341 N ASP A 88 72.732 -5.102 16.382 1.00 0.00 N ATOM 1342 CA ASP A 88 73.456 -3.883 16.844 1.00 0.00 C ATOM 1343 C ASP A 88 73.205 -2.722 15.879 1.00 0.00 C ATOM 1344 O ASP A 88 73.952 -2.505 14.946 1.00 0.00 O ATOM 1345 CB ASP A 88 74.933 -4.275 16.838 1.00 0.00 C ATOM 1346 CG ASP A 88 75.713 -3.342 17.766 1.00 0.00 C ATOM 1347 OD1 ASP A 88 75.735 -3.606 18.957 1.00 0.00 O ATOM 1348 OD2 ASP A 88 76.275 -2.379 17.271 1.00 0.00 O ATOM 0 H ASP A 88 73.315 -5.813 15.941 1.00 0.00 H new ATOM 0 HA ASP A 88 73.125 -3.554 17.829 1.00 0.00 H new ATOM 0 HB2 ASP A 88 75.047 -5.309 17.165 1.00 0.00 H new ATOM 0 HB3 ASP A 88 75.332 -4.215 15.825 1.00 0.00 H new ATOM 1353 N SER A 89 72.157 -1.975 16.094 1.00 0.00 N ATOM 1354 CA SER A 89 71.860 -0.830 15.187 1.00 0.00 C ATOM 1355 C SER A 89 72.576 0.432 15.677 1.00 0.00 C ATOM 1356 O SER A 89 72.135 1.513 15.325 1.00 0.00 O ATOM 1357 CB SER A 89 70.344 -0.650 15.261 1.00 0.00 C ATOM 1358 OG SER A 89 69.729 -1.412 14.230 1.00 0.00 O ATOM 1359 OXT SER A 89 73.553 0.293 16.394 1.00 0.00 O ATOM 0 H SER A 89 71.494 -2.108 16.858 1.00 0.00 H new ATOM 0 HA SER A 89 72.199 -1.011 14.167 1.00 0.00 H new ATOM 0 HB2 SER A 89 69.975 -0.971 16.235 1.00 0.00 H new ATOM 0 HB3 SER A 89 70.086 0.404 15.154 1.00 0.00 H new ATOM 0 HG SER A 89 68.757 -1.300 14.276 1.00 0.00 H new TER 1365 SER A 89