USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 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 34 ASN : amide:sc= -0.324 K(o=-1.8,f=-7.1!) USER MOD Set 1.2: A 43 ASN :FLIP amide:sc= -1.46! F(o=-2.8,f=-1.8!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= -0.118 (180deg=-0.674) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 135:sc= 0.00453 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 20 THR OG1 : rot 78:sc= 0.751 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 75:sc= 0.124 USER MOD Single : A 27 SER OG : rot 92:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 150:sc= -2.57! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.238 K(o=-0.24,f=-1.9!) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc=-0.00429 (180deg=-0.178) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= -0.0947 (180deg=-0.728) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -46:sc= 1.03 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 51:sc= 0.0212 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 75 ASN : amide:sc= -4.34 K(o=-4.3,f=-14!) USER MOD Single : A 80 THR OG1 : rot 75:sc= 0.724 USER MOD Single : A 81 MET CE :methyl -148:sc= 0 (180deg=-0.857) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 170:sc= -0.591 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.206 -9.491 -9.600 1.00 0.00 N ATOM 2 CA ALA A 2 -6.539 -9.112 -8.198 1.00 0.00 C ATOM 3 C ALA A 2 -5.695 -7.905 -7.783 1.00 0.00 C ATOM 4 O ALA A 2 -5.359 -7.743 -6.624 1.00 0.00 O ATOM 5 CB ALA A 2 -6.239 -10.288 -7.267 1.00 0.00 C ATOM 0 HA ALA A 2 -7.597 -8.857 -8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.482 -10.011 -6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.839 -11.149 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.181 -10.543 -7.333 1.00 0.00 H new ATOM 13 N GLN A 3 -5.353 -7.057 -8.720 1.00 0.00 N ATOM 14 CA GLN A 3 -4.531 -5.856 -8.388 1.00 0.00 C ATOM 15 C GLN A 3 -5.430 -4.621 -8.345 1.00 0.00 C ATOM 16 O GLN A 3 -6.462 -4.571 -8.987 1.00 0.00 O ATOM 17 CB GLN A 3 -3.447 -5.660 -9.450 1.00 0.00 C ATOM 18 CG GLN A 3 -4.080 -5.665 -10.844 1.00 0.00 C ATOM 19 CD GLN A 3 -3.108 -5.047 -11.850 1.00 0.00 C ATOM 20 OE1 GLN A 3 -3.415 -4.052 -12.476 1.00 0.00 O ATOM 21 NE2 GLN A 3 -1.938 -5.597 -12.031 1.00 0.00 N ATOM 0 H GLN A 3 -5.609 -7.146 -9.703 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.060 -6.000 -7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.925 -4.718 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.704 -6.454 -9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.325 -6.685 -11.139 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.014 -5.103 -10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.680 -6.432 -11.505 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.281 -5.191 -12.698 1.00 0.00 H new ATOM 30 N LYS A 4 -5.040 -3.624 -7.591 1.00 0.00 N ATOM 31 CA LYS A 4 -5.865 -2.384 -7.498 1.00 0.00 C ATOM 32 C LYS A 4 -4.947 -1.162 -7.442 1.00 0.00 C ATOM 33 O LYS A 4 -3.980 -1.136 -6.704 1.00 0.00 O ATOM 34 CB LYS A 4 -6.723 -2.436 -6.233 1.00 0.00 C ATOM 35 CG LYS A 4 -7.966 -3.290 -6.495 1.00 0.00 C ATOM 36 CD LYS A 4 -9.099 -2.841 -5.570 1.00 0.00 C ATOM 37 CE LYS A 4 -9.956 -1.794 -6.284 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.704 -2.441 -7.399 1.00 0.00 N ATOM 0 H LYS A 4 -4.184 -3.617 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.511 -2.312 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.148 -2.855 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.016 -1.429 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.273 -3.194 -7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.739 -4.343 -6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.712 -3.697 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.688 -2.425 -4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.653 -1.338 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.325 -0.994 -6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.604 -1.941 -7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.135 -2.400 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.896 -3.434 -7.158 1.00 0.00 H new ATOM 52 N THR A 5 -5.247 -0.149 -8.215 1.00 0.00 N ATOM 53 CA THR A 5 -4.400 1.079 -8.213 1.00 0.00 C ATOM 54 C THR A 5 -4.928 2.055 -7.161 1.00 0.00 C ATOM 55 O THR A 5 -6.108 2.346 -7.110 1.00 0.00 O ATOM 56 CB THR A 5 -4.450 1.738 -9.592 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.272 0.748 -10.596 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.338 2.782 -9.700 1.00 0.00 C ATOM 0 H THR A 5 -6.045 -0.121 -8.849 1.00 0.00 H new ATOM 0 HA THR A 5 -3.370 0.811 -7.979 1.00 0.00 H new ATOM 0 HB THR A 5 -5.416 2.224 -9.728 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.306 1.169 -11.480 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.374 3.251 -10.683 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.476 3.541 -8.930 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.371 2.299 -9.564 1.00 0.00 H new ATOM 66 N PHE A 6 -4.060 2.559 -6.322 1.00 0.00 N ATOM 67 CA PHE A 6 -4.500 3.517 -5.266 1.00 0.00 C ATOM 68 C PHE A 6 -3.847 4.880 -5.505 1.00 0.00 C ATOM 69 O PHE A 6 -2.791 4.975 -6.101 1.00 0.00 O ATOM 70 CB PHE A 6 -4.079 2.984 -3.896 1.00 0.00 C ATOM 71 CG PHE A 6 -4.855 1.728 -3.584 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.387 0.485 -4.028 1.00 0.00 C ATOM 73 CD2 PHE A 6 -6.043 1.805 -2.847 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.108 -0.681 -3.738 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.764 0.640 -2.558 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.296 -0.602 -3.002 1.00 0.00 C ATOM 0 H PHE A 6 -3.062 2.347 -6.324 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.584 3.626 -5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.009 2.775 -3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.262 3.737 -3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.469 0.425 -4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.403 2.763 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.748 -1.639 -4.082 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.682 0.700 -1.992 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.852 -1.500 -2.777 1.00 0.00 H new ATOM 86 N LYS A 7 -4.471 5.933 -5.042 1.00 0.00 N ATOM 87 CA LYS A 7 -3.895 7.297 -5.234 1.00 0.00 C ATOM 88 C LYS A 7 -3.377 7.819 -3.892 1.00 0.00 C ATOM 89 O LYS A 7 -4.086 7.824 -2.903 1.00 0.00 O ATOM 90 CB LYS A 7 -4.980 8.239 -5.772 1.00 0.00 C ATOM 91 CG LYS A 7 -4.783 8.452 -7.276 1.00 0.00 C ATOM 92 CD LYS A 7 -4.004 9.748 -7.514 1.00 0.00 C ATOM 93 CE LYS A 7 -4.484 10.402 -8.810 1.00 0.00 C ATOM 94 NZ LYS A 7 -4.303 11.879 -8.718 1.00 0.00 N ATOM 0 H LYS A 7 -5.357 5.906 -4.538 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.073 7.252 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.967 7.818 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.935 9.195 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.244 7.608 -7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.750 8.500 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.147 10.430 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.936 9.537 -7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.923 10.008 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.533 10.164 -8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.629 12.324 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.856 12.247 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.297 12.097 -8.572 1.00 0.00 H new ATOM 108 N VAL A 8 -2.143 8.258 -3.853 1.00 0.00 N ATOM 109 CA VAL A 8 -1.568 8.781 -2.579 1.00 0.00 C ATOM 110 C VAL A 8 -1.945 10.254 -2.417 1.00 0.00 C ATOM 111 O VAL A 8 -1.518 11.100 -3.181 1.00 0.00 O ATOM 112 CB VAL A 8 -0.044 8.649 -2.613 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.530 9.008 -1.242 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.339 7.207 -2.961 1.00 0.00 C ATOM 0 H VAL A 8 -1.509 8.276 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.964 8.208 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 8 0.360 9.325 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.616 8.914 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.260 10.034 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.124 8.332 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.425 7.115 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.066 6.531 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.069 6.948 -3.938 1.00 0.00 H new ATOM 124 N THR A 9 -2.741 10.565 -1.426 1.00 0.00 N ATOM 125 CA THR A 9 -3.153 11.983 -1.204 1.00 0.00 C ATOM 126 C THR A 9 -2.729 12.456 0.197 1.00 0.00 C ATOM 127 O THR A 9 -2.891 13.614 0.532 1.00 0.00 O ATOM 128 CB THR A 9 -4.674 12.094 -1.337 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.116 11.259 -2.398 1.00 0.00 O ATOM 130 CG2 THR A 9 -5.058 13.544 -1.634 1.00 0.00 C ATOM 0 H THR A 9 -3.124 9.895 -0.759 1.00 0.00 H new ATOM 0 HA THR A 9 -2.665 12.612 -1.949 1.00 0.00 H new ATOM 0 HB THR A 9 -5.144 11.780 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.905 10.754 -2.110 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.141 13.622 -1.728 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.718 14.184 -0.820 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.589 13.861 -2.565 1.00 0.00 H new ATOM 138 N ALA A 10 -2.188 11.581 1.017 1.00 0.00 N ATOM 139 CA ALA A 10 -1.761 12.000 2.386 1.00 0.00 C ATOM 140 C ALA A 10 -0.658 13.055 2.275 1.00 0.00 C ATOM 141 O ALA A 10 0.106 13.069 1.328 1.00 0.00 O ATOM 142 CB ALA A 10 -1.232 10.785 3.151 1.00 0.00 C ATOM 0 H ALA A 10 -2.026 10.599 0.794 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.613 12.420 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.921 11.091 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.018 10.034 3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.380 10.363 2.619 1.00 0.00 H new ATOM 148 N ASP A 11 -0.571 13.940 3.237 1.00 0.00 N ATOM 149 CA ASP A 11 0.478 15.001 3.196 1.00 0.00 C ATOM 150 C ASP A 11 1.865 14.353 3.231 1.00 0.00 C ATOM 151 O ASP A 11 2.676 14.557 2.347 1.00 0.00 O ATOM 152 CB ASP A 11 0.318 15.925 4.405 1.00 0.00 C ATOM 153 CG ASP A 11 1.258 17.123 4.260 1.00 0.00 C ATOM 154 OD1 ASP A 11 0.987 17.965 3.422 1.00 0.00 O ATOM 155 OD2 ASP A 11 2.233 17.176 4.990 1.00 0.00 O ATOM 0 H ASP A 11 -1.184 13.972 4.051 1.00 0.00 H new ATOM 0 HA ASP A 11 0.371 15.580 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.714 16.266 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.543 15.382 5.323 1.00 0.00 H new ATOM 160 N SER A 12 2.139 13.575 4.248 1.00 0.00 N ATOM 161 CA SER A 12 3.472 12.910 4.348 1.00 0.00 C ATOM 162 C SER A 12 3.624 11.902 3.208 1.00 0.00 C ATOM 163 O SER A 12 4.708 11.688 2.699 1.00 0.00 O ATOM 164 CB SER A 12 3.578 12.183 5.688 1.00 0.00 C ATOM 165 OG SER A 12 2.327 11.588 6.002 1.00 0.00 O ATOM 0 H SER A 12 1.496 13.372 5.013 1.00 0.00 H new ATOM 0 HA SER A 12 4.260 13.660 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.354 11.419 5.640 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.867 12.883 6.472 1.00 0.00 H new ATOM 0 HG SER A 12 2.394 11.120 6.860 1.00 0.00 H new ATOM 171 N GLY A 13 2.543 11.283 2.806 1.00 0.00 N ATOM 172 CA GLY A 13 2.614 10.287 1.697 1.00 0.00 C ATOM 173 C GLY A 13 2.643 8.874 2.281 1.00 0.00 C ATOM 174 O GLY A 13 1.860 8.536 3.149 1.00 0.00 O ATOM 0 H GLY A 13 1.613 11.426 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.755 10.401 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.505 10.461 1.094 1.00 0.00 H new ATOM 178 N ILE A 14 3.541 8.048 1.809 1.00 0.00 N ATOM 179 CA ILE A 14 3.630 6.653 2.331 1.00 0.00 C ATOM 180 C ILE A 14 4.982 6.453 3.017 1.00 0.00 C ATOM 181 O ILE A 14 5.918 5.947 2.427 1.00 0.00 O ATOM 182 CB ILE A 14 3.494 5.663 1.174 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.204 5.956 0.405 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.444 4.236 1.724 1.00 0.00 C ATOM 185 CD1 ILE A 14 2.166 5.107 -0.866 1.00 0.00 C ATOM 0 H ILE A 14 4.218 8.281 1.083 1.00 0.00 H new ATOM 0 HA ILE A 14 2.828 6.482 3.049 1.00 0.00 H new ATOM 0 HB ILE A 14 4.350 5.765 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.338 5.735 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.152 7.015 0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.347 3.531 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.361 4.026 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.588 4.133 2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.247 5.315 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.025 5.350 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.198 4.051 -0.599 1.00 0.00 H new ATOM 218 N ALA A 16 6.842 5.564 7.146 1.00 0.00 N ATOM 219 CA ALA A 16 6.778 4.411 8.101 1.00 0.00 C ATOM 220 C ALA A 16 5.379 4.246 8.718 1.00 0.00 C ATOM 221 O ALA A 16 4.905 3.139 8.866 1.00 0.00 O ATOM 222 CB ALA A 16 7.796 4.627 9.221 1.00 0.00 C ATOM 0 HA ALA A 16 7.005 3.504 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.753 3.790 9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.797 4.693 8.795 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.565 5.552 9.749 1.00 0.00 H new ATOM 228 N ARG A 17 4.728 5.317 9.108 1.00 0.00 N ATOM 229 CA ARG A 17 3.373 5.187 9.748 1.00 0.00 C ATOM 230 C ARG A 17 2.407 4.368 8.861 1.00 0.00 C ATOM 231 O ARG A 17 1.831 3.403 9.332 1.00 0.00 O ATOM 232 CB ARG A 17 2.783 6.581 10.009 1.00 0.00 C ATOM 233 CG ARG A 17 2.221 6.650 11.432 1.00 0.00 C ATOM 234 CD ARG A 17 1.738 8.073 11.722 1.00 0.00 C ATOM 235 NE ARG A 17 0.708 8.038 12.799 1.00 0.00 N ATOM 236 CZ ARG A 17 1.053 8.259 14.038 1.00 0.00 C ATOM 237 NH1 ARG A 17 1.317 9.473 14.436 1.00 0.00 N ATOM 238 NH2 ARG A 17 1.133 7.265 14.880 1.00 0.00 N ATOM 0 H ARG A 17 5.072 6.273 9.013 1.00 0.00 H new ATOM 0 HA ARG A 17 3.496 4.658 10.693 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.552 7.342 9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.995 6.793 9.287 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.397 5.945 11.543 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.987 6.361 12.151 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.577 8.698 12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.320 8.518 10.819 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.266 7.841 12.568 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.254 10.250 13.779 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.587 9.645 15.405 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.926 6.316 14.570 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.403 7.437 15.848 1.00 0.00 H new ATOM 252 N PRO A 18 2.238 4.754 7.608 1.00 0.00 N ATOM 253 CA PRO A 18 1.327 4.030 6.702 1.00 0.00 C ATOM 254 C PRO A 18 1.944 2.696 6.274 1.00 0.00 C ATOM 255 O PRO A 18 1.241 1.763 5.931 1.00 0.00 O ATOM 256 CB PRO A 18 1.154 4.980 5.514 1.00 0.00 C ATOM 257 CG PRO A 18 2.375 5.926 5.532 1.00 0.00 C ATOM 258 CD PRO A 18 2.924 5.907 6.971 1.00 0.00 C ATOM 0 HA PRO A 18 0.373 3.778 7.166 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.106 4.425 4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.225 5.543 5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.133 5.593 4.823 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.087 6.936 5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.007 5.782 6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.705 6.839 7.493 1.00 0.00 H new ATOM 266 N ALA A 19 3.249 2.593 6.305 1.00 0.00 N ATOM 267 CA ALA A 19 3.911 1.314 5.917 1.00 0.00 C ATOM 268 C ALA A 19 3.672 0.264 7.010 1.00 0.00 C ATOM 269 O ALA A 19 3.741 -0.924 6.760 1.00 0.00 O ATOM 270 CB ALA A 19 5.413 1.545 5.748 1.00 0.00 C ATOM 0 H ALA A 19 3.884 3.341 6.583 1.00 0.00 H new ATOM 0 HA ALA A 19 3.493 0.960 4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.895 0.610 5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.581 2.290 4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.835 1.900 6.688 1.00 0.00 H new ATOM 276 N THR A 20 3.383 0.693 8.217 1.00 0.00 N ATOM 277 CA THR A 20 3.130 -0.277 9.321 1.00 0.00 C ATOM 278 C THR A 20 1.666 -0.718 9.271 1.00 0.00 C ATOM 279 O THR A 20 1.331 -1.837 9.612 1.00 0.00 O ATOM 280 CB THR A 20 3.412 0.390 10.671 1.00 0.00 C ATOM 281 OG1 THR A 20 4.450 1.347 10.518 1.00 0.00 O ATOM 282 CG2 THR A 20 3.839 -0.671 11.685 1.00 0.00 C ATOM 0 H THR A 20 3.312 1.676 8.481 1.00 0.00 H new ATOM 0 HA THR A 20 3.784 -1.141 9.204 1.00 0.00 H new ATOM 0 HB THR A 20 2.510 0.888 11.027 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.086 2.162 10.113 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.040 -0.196 12.646 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.041 -1.404 11.802 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.741 -1.170 11.331 1.00 0.00 H new ATOM 290 N VAL A 21 0.797 0.160 8.840 1.00 0.00 N ATOM 291 CA VAL A 21 -0.652 -0.191 8.754 1.00 0.00 C ATOM 292 C VAL A 21 -0.850 -1.207 7.635 1.00 0.00 C ATOM 293 O VAL A 21 -1.637 -2.129 7.742 1.00 0.00 O ATOM 294 CB VAL A 21 -1.465 1.059 8.423 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.955 0.756 8.593 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.069 2.207 9.357 1.00 0.00 C ATOM 0 H VAL A 21 1.030 1.108 8.543 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.981 -0.604 9.708 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.264 1.353 7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.537 1.647 8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.241 -0.053 7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.150 0.457 9.623 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.654 3.093 9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.262 1.918 10.390 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.009 2.427 9.234 1.00 0.00 H new ATOM 306 N LEU A 22 -0.145 -1.022 6.557 1.00 0.00 N ATOM 307 CA LEU A 22 -0.273 -1.938 5.395 1.00 0.00 C ATOM 308 C LEU A 22 0.428 -3.269 5.680 1.00 0.00 C ATOM 309 O LEU A 22 -0.151 -4.324 5.515 1.00 0.00 O ATOM 310 CB LEU A 22 0.369 -1.267 4.186 1.00 0.00 C ATOM 311 CG LEU A 22 -0.473 -0.059 3.773 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.251 0.708 2.665 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.831 -0.537 3.252 1.00 0.00 C ATOM 0 H LEU A 22 0.525 -0.263 6.431 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.326 -2.143 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.384 -0.952 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.442 -1.974 3.359 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.621 0.592 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.347 1.570 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.220 1.047 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.396 0.054 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.431 0.324 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.682 -1.187 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.348 -1.089 4.037 1.00 0.00 H new ATOM 325 N VAL A 23 1.672 -3.233 6.095 1.00 0.00 N ATOM 326 CA VAL A 23 2.416 -4.504 6.378 1.00 0.00 C ATOM 327 C VAL A 23 1.602 -5.393 7.337 1.00 0.00 C ATOM 328 O VAL A 23 1.711 -6.604 7.314 1.00 0.00 O ATOM 329 CB VAL A 23 3.783 -4.167 6.998 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.587 -3.430 8.324 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.570 -5.458 7.245 1.00 0.00 C ATOM 0 H VAL A 23 2.206 -2.378 6.250 1.00 0.00 H new ATOM 0 HA VAL A 23 2.567 -5.049 5.446 1.00 0.00 H new ATOM 0 HB VAL A 23 4.337 -3.528 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.559 -3.195 8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.035 -2.507 8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.027 -4.063 9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.538 -5.216 7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.012 -6.099 7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.721 -5.979 6.299 1.00 0.00 H new ATOM 341 N GLN A 24 0.793 -4.792 8.172 1.00 0.00 N ATOM 342 CA GLN A 24 -0.028 -5.587 9.131 1.00 0.00 C ATOM 343 C GLN A 24 -1.191 -6.258 8.391 1.00 0.00 C ATOM 344 O GLN A 24 -1.503 -7.410 8.629 1.00 0.00 O ATOM 345 CB GLN A 24 -0.585 -4.658 10.216 1.00 0.00 C ATOM 346 CG GLN A 24 0.521 -4.302 11.221 1.00 0.00 C ATOM 347 CD GLN A 24 0.132 -4.788 12.621 1.00 0.00 C ATOM 348 OE1 GLN A 24 0.233 -5.961 12.919 1.00 0.00 O ATOM 349 NE2 GLN A 24 -0.313 -3.928 13.496 1.00 0.00 N ATOM 0 H GLN A 24 0.666 -3.782 8.230 1.00 0.00 H new ATOM 0 HA GLN A 24 0.597 -6.354 9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.980 -3.750 9.761 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.414 -5.143 10.731 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.462 -4.760 10.916 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.680 -3.224 11.232 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.398 -2.943 13.245 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.576 -4.241 14.430 1.00 0.00 H new ATOM 358 N THR A 25 -1.837 -5.544 7.501 1.00 0.00 N ATOM 359 CA THR A 25 -2.988 -6.136 6.749 1.00 0.00 C ATOM 360 C THR A 25 -2.484 -7.223 5.793 1.00 0.00 C ATOM 361 O THR A 25 -2.801 -8.387 5.944 1.00 0.00 O ATOM 362 CB THR A 25 -3.690 -5.035 5.946 1.00 0.00 C ATOM 363 OG1 THR A 25 -4.061 -3.979 6.819 1.00 0.00 O ATOM 364 CG2 THR A 25 -4.942 -5.605 5.275 1.00 0.00 C ATOM 0 H THR A 25 -1.617 -4.577 7.263 1.00 0.00 H new ATOM 0 HA THR A 25 -3.689 -6.579 7.456 1.00 0.00 H new ATOM 0 HB THR A 25 -3.012 -4.657 5.181 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.266 -3.458 7.059 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.439 -4.820 4.705 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.658 -6.416 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.622 -5.986 6.037 1.00 0.00 H new ATOM 372 N ALA A 26 -1.712 -6.847 4.803 1.00 0.00 N ATOM 373 CA ALA A 26 -1.188 -7.847 3.817 1.00 0.00 C ATOM 374 C ALA A 26 -0.479 -8.999 4.542 1.00 0.00 C ATOM 375 O ALA A 26 -0.379 -10.095 4.023 1.00 0.00 O ATOM 376 CB ALA A 26 -0.200 -7.156 2.875 1.00 0.00 C ATOM 0 H ALA A 26 -1.420 -5.885 4.633 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.025 -8.253 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.184 -7.880 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.707 -6.350 2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.628 -6.745 3.453 1.00 0.00 H new ATOM 382 N SER A 27 0.010 -8.760 5.735 1.00 0.00 N ATOM 383 CA SER A 27 0.708 -9.842 6.492 1.00 0.00 C ATOM 384 C SER A 27 -0.271 -10.986 6.766 1.00 0.00 C ATOM 385 O SER A 27 0.045 -12.145 6.573 1.00 0.00 O ATOM 386 CB SER A 27 1.224 -9.283 7.820 1.00 0.00 C ATOM 387 OG SER A 27 2.588 -8.908 7.673 1.00 0.00 O ATOM 0 H SER A 27 -0.045 -7.862 6.216 1.00 0.00 H new ATOM 0 HA SER A 27 1.547 -10.215 5.904 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.628 -8.421 8.121 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.123 -10.031 8.606 1.00 0.00 H new ATOM 0 HG SER A 27 2.642 -7.963 7.418 1.00 0.00 H new ATOM 393 N LYS A 28 -1.459 -10.663 7.211 1.00 0.00 N ATOM 394 CA LYS A 28 -2.471 -11.722 7.500 1.00 0.00 C ATOM 395 C LYS A 28 -2.841 -12.454 6.206 1.00 0.00 C ATOM 396 O LYS A 28 -3.259 -13.597 6.233 1.00 0.00 O ATOM 397 CB LYS A 28 -3.726 -11.078 8.094 1.00 0.00 C ATOM 398 CG LYS A 28 -3.411 -10.537 9.489 1.00 0.00 C ATOM 399 CD LYS A 28 -4.246 -9.282 9.749 1.00 0.00 C ATOM 400 CE LYS A 28 -4.555 -9.176 11.244 1.00 0.00 C ATOM 401 NZ LYS A 28 -5.876 -9.805 11.523 1.00 0.00 N ATOM 0 H LYS A 28 -1.772 -9.708 7.387 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.052 -12.435 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.073 -10.271 7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.532 -11.810 8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.629 -11.294 10.242 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.349 -10.304 9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.705 -8.397 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.173 -9.324 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.775 -9.670 11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.566 -8.130 11.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.087 -9.733 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.615 -9.315 10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.849 -10.807 11.245 1.00 0.00 H new ATOM 415 N TYR A 29 -2.693 -11.808 5.074 1.00 0.00 N ATOM 416 CA TYR A 29 -3.039 -12.467 3.781 1.00 0.00 C ATOM 417 C TYR A 29 -1.813 -13.199 3.235 1.00 0.00 C ATOM 418 O TYR A 29 -0.760 -12.617 3.051 1.00 0.00 O ATOM 419 CB TYR A 29 -3.500 -11.411 2.773 1.00 0.00 C ATOM 420 CG TYR A 29 -4.765 -10.759 3.280 1.00 0.00 C ATOM 421 CD1 TYR A 29 -5.985 -11.440 3.194 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.717 -9.477 3.840 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.158 -10.839 3.667 1.00 0.00 C ATOM 424 CE2 TYR A 29 -5.890 -8.876 4.314 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.110 -9.557 4.227 1.00 0.00 C ATOM 426 OH TYR A 29 -8.266 -8.965 4.696 1.00 0.00 O ATOM 0 H TYR A 29 -2.347 -10.852 4.993 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.844 -13.184 3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.722 -10.661 2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.678 -11.872 1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.022 -12.429 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.776 -8.951 3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.099 -11.364 3.600 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.853 -7.887 4.747 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.047 -8.362 5.437 1.00 0.00 H new ATOM 436 N ASP A 30 -1.946 -14.474 2.975 1.00 0.00 N ATOM 437 CA ASP A 30 -0.798 -15.263 2.441 1.00 0.00 C ATOM 438 C ASP A 30 -0.459 -14.802 1.019 1.00 0.00 C ATOM 439 O ASP A 30 0.638 -15.015 0.540 1.00 0.00 O ATOM 440 CB ASP A 30 -1.170 -16.747 2.417 1.00 0.00 C ATOM 441 CG ASP A 30 -0.874 -17.370 3.783 1.00 0.00 C ATOM 442 OD1 ASP A 30 0.286 -17.390 4.163 1.00 0.00 O ATOM 443 OD2 ASP A 30 -1.810 -17.817 4.425 1.00 0.00 O ATOM 0 H ASP A 30 -2.806 -15.005 3.111 1.00 0.00 H new ATOM 0 HA ASP A 30 0.070 -15.109 3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.226 -16.864 2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.605 -17.262 1.640 1.00 0.00 H new ATOM 448 N ALA A 31 -1.390 -14.173 0.338 1.00 0.00 N ATOM 449 CA ALA A 31 -1.121 -13.701 -1.055 1.00 0.00 C ATOM 450 C ALA A 31 0.075 -12.743 -1.058 1.00 0.00 C ATOM 451 O ALA A 31 0.306 -12.023 -0.106 1.00 0.00 O ATOM 452 CB ALA A 31 -2.355 -12.975 -1.594 1.00 0.00 C ATOM 0 H ALA A 31 -2.325 -13.967 0.690 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.895 -14.560 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.160 -12.630 -2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.205 -13.657 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.581 -12.119 -0.958 1.00 0.00 H new ATOM 458 N ASP A 32 0.836 -12.738 -2.122 1.00 0.00 N ATOM 459 CA ASP A 32 2.021 -11.835 -2.198 1.00 0.00 C ATOM 460 C ASP A 32 1.607 -10.494 -2.804 1.00 0.00 C ATOM 461 O ASP A 32 1.673 -10.296 -4.003 1.00 0.00 O ATOM 462 CB ASP A 32 3.097 -12.481 -3.073 1.00 0.00 C ATOM 463 CG ASP A 32 3.451 -13.860 -2.514 1.00 0.00 C ATOM 464 OD1 ASP A 32 4.135 -13.911 -1.505 1.00 0.00 O ATOM 465 OD2 ASP A 32 3.032 -14.842 -3.104 1.00 0.00 O ATOM 0 H ASP A 32 0.686 -13.323 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 32 2.416 -11.671 -1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.739 -12.574 -4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.985 -11.850 -3.101 1.00 0.00 H new ATOM 470 N VAL A 33 1.184 -9.571 -1.978 1.00 0.00 N ATOM 471 CA VAL A 33 0.767 -8.233 -2.490 1.00 0.00 C ATOM 472 C VAL A 33 1.978 -7.294 -2.488 1.00 0.00 C ATOM 473 O VAL A 33 2.680 -7.180 -1.500 1.00 0.00 O ATOM 474 CB VAL A 33 -0.342 -7.665 -1.588 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.564 -8.599 -1.616 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.174 -7.531 -0.146 1.00 0.00 C ATOM 0 H VAL A 33 1.110 -9.688 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 33 0.386 -8.326 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.632 -6.681 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.347 -8.193 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.936 -8.681 -2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.276 -9.586 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.616 -7.128 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.473 -8.511 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.032 -6.859 -0.127 1.00 0.00 H new ATOM 486 N ASN A 34 2.232 -6.630 -3.589 1.00 0.00 N ATOM 487 CA ASN A 34 3.404 -5.706 -3.654 1.00 0.00 C ATOM 488 C ASN A 34 2.964 -4.341 -4.182 1.00 0.00 C ATOM 489 O ASN A 34 2.156 -4.245 -5.088 1.00 0.00 O ATOM 490 CB ASN A 34 4.465 -6.293 -4.589 1.00 0.00 C ATOM 491 CG ASN A 34 4.805 -7.717 -4.146 1.00 0.00 C ATOM 492 OD1 ASN A 34 5.725 -7.923 -3.379 1.00 0.00 O ATOM 493 ND2 ASN A 34 4.097 -8.715 -4.600 1.00 0.00 N ATOM 0 H ASN A 34 1.679 -6.689 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 34 3.820 -5.587 -2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.098 -6.298 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.361 -5.673 -4.574 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.316 -9.668 -4.311 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.325 -8.541 -5.244 1.00 0.00 H new ATOM 500 N LEU A 35 3.496 -3.286 -3.622 1.00 0.00 N ATOM 501 CA LEU A 35 3.126 -1.915 -4.081 1.00 0.00 C ATOM 502 C LEU A 35 4.115 -1.462 -5.160 1.00 0.00 C ATOM 503 O LEU A 35 5.270 -1.844 -5.151 1.00 0.00 O ATOM 504 CB LEU A 35 3.183 -0.950 -2.893 1.00 0.00 C ATOM 505 CG LEU A 35 2.513 0.375 -3.269 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.731 0.914 -2.068 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.582 1.393 -3.676 1.00 0.00 C ATOM 0 H LEU A 35 4.175 -3.316 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 35 2.117 -1.923 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.682 -1.390 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.219 -0.775 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 35 1.831 0.209 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.255 1.857 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.968 0.192 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.413 1.077 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.104 2.335 -3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.265 1.556 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.139 1.013 -4.532 1.00 0.00 H new ATOM 519 N GLU A 36 3.670 -0.652 -6.088 1.00 0.00 N ATOM 520 CA GLU A 36 4.581 -0.171 -7.170 1.00 0.00 C ATOM 521 C GLU A 36 4.762 1.343 -7.045 1.00 0.00 C ATOM 522 O GLU A 36 3.831 2.060 -6.725 1.00 0.00 O ATOM 523 CB GLU A 36 3.971 -0.503 -8.534 1.00 0.00 C ATOM 524 CG GLU A 36 5.087 -0.661 -9.567 1.00 0.00 C ATOM 525 CD GLU A 36 4.475 -0.977 -10.934 1.00 0.00 C ATOM 526 OE1 GLU A 36 4.111 -0.044 -11.628 1.00 0.00 O ATOM 527 OE2 GLU A 36 4.383 -2.149 -11.262 1.00 0.00 O ATOM 0 H GLU A 36 2.713 -0.303 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 36 5.550 -0.662 -7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.388 -1.422 -8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.287 0.288 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.677 0.254 -9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.765 -1.460 -9.267 1.00 0.00 H new ATOM 534 N TYR A 37 5.952 1.834 -7.292 1.00 0.00 N ATOM 535 CA TYR A 37 6.194 3.304 -7.181 1.00 0.00 C ATOM 536 C TYR A 37 7.455 3.688 -7.964 1.00 0.00 C ATOM 537 O TYR A 37 8.552 3.286 -7.628 1.00 0.00 O ATOM 538 CB TYR A 37 6.373 3.675 -5.706 1.00 0.00 C ATOM 539 CG TYR A 37 6.493 5.176 -5.568 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.483 6.007 -6.065 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.616 5.733 -4.945 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.596 7.397 -5.938 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.728 7.123 -4.818 1.00 0.00 C ATOM 544 CZ TYR A 37 6.718 7.954 -5.314 1.00 0.00 C ATOM 545 OH TYR A 37 6.830 9.324 -5.189 1.00 0.00 O ATOM 0 H TYR A 37 6.764 1.280 -7.565 1.00 0.00 H new ATOM 0 HA TYR A 37 5.342 3.843 -7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.525 3.314 -5.125 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.264 3.191 -5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.617 5.577 -6.546 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.396 5.091 -4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.817 8.039 -6.322 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.594 7.553 -4.337 1.00 0.00 H new ATOM 0 HH TYR A 37 7.668 9.543 -4.731 1.00 0.00 H new ATOM 555 N ASN A 38 7.302 4.484 -8.994 1.00 0.00 N ATOM 556 CA ASN A 38 8.480 4.929 -9.805 1.00 0.00 C ATOM 557 C ASN A 38 9.146 3.733 -10.494 1.00 0.00 C ATOM 558 O ASN A 38 10.309 3.787 -10.847 1.00 0.00 O ATOM 559 CB ASN A 38 9.501 5.624 -8.898 1.00 0.00 C ATOM 560 CG ASN A 38 10.266 6.677 -9.703 1.00 0.00 C ATOM 561 OD1 ASN A 38 9.722 7.278 -10.608 1.00 0.00 O ATOM 562 ND2 ASN A 38 11.512 6.927 -9.410 1.00 0.00 N ATOM 0 H ASN A 38 6.403 4.848 -9.311 1.00 0.00 H new ATOM 0 HA ASN A 38 8.129 5.625 -10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.994 6.093 -8.055 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.195 4.891 -8.485 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.030 7.627 -9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.968 6.422 -8.650 1.00 0.00 H new ATOM 569 N GLY A 39 8.421 2.662 -10.702 1.00 0.00 N ATOM 570 CA GLY A 39 9.014 1.473 -11.383 1.00 0.00 C ATOM 571 C GLY A 39 9.624 0.507 -10.359 1.00 0.00 C ATOM 572 O GLY A 39 9.856 -0.649 -10.660 1.00 0.00 O ATOM 0 H GLY A 39 7.443 2.561 -10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.246 0.959 -11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.781 1.796 -12.087 1.00 0.00 H new ATOM 576 N LYS A 40 9.886 0.962 -9.157 1.00 0.00 N ATOM 577 CA LYS A 40 10.481 0.062 -8.126 1.00 0.00 C ATOM 578 C LYS A 40 9.357 -0.640 -7.364 1.00 0.00 C ATOM 579 O LYS A 40 8.537 -0.006 -6.728 1.00 0.00 O ATOM 580 CB LYS A 40 11.322 0.887 -7.149 1.00 0.00 C ATOM 581 CG LYS A 40 12.469 1.560 -7.906 1.00 0.00 C ATOM 582 CD LYS A 40 12.811 2.891 -7.233 1.00 0.00 C ATOM 583 CE LYS A 40 14.021 3.519 -7.927 1.00 0.00 C ATOM 584 NZ LYS A 40 13.631 3.965 -9.295 1.00 0.00 N ATOM 0 H LYS A 40 9.712 1.918 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 40 11.116 -0.680 -8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.701 1.640 -6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.718 0.245 -6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.344 0.910 -7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.185 1.728 -8.945 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.957 3.567 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.027 2.731 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.388 4.366 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.835 2.797 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.365 4.595 -9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.529 3.136 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.726 4.476 -9.249 1.00 0.00 H new ATOM 598 N THR A 41 9.313 -1.945 -7.434 1.00 0.00 N ATOM 599 CA THR A 41 8.240 -2.702 -6.727 1.00 0.00 C ATOM 600 C THR A 41 8.745 -3.166 -5.360 1.00 0.00 C ATOM 601 O THR A 41 9.674 -3.945 -5.261 1.00 0.00 O ATOM 602 CB THR A 41 7.847 -3.922 -7.563 1.00 0.00 C ATOM 603 OG1 THR A 41 7.801 -3.559 -8.936 1.00 0.00 O ATOM 604 CG2 THR A 41 6.474 -4.427 -7.118 1.00 0.00 C ATOM 0 H THR A 41 9.977 -2.520 -7.953 1.00 0.00 H new ATOM 0 HA THR A 41 7.374 -2.054 -6.589 1.00 0.00 H new ATOM 0 HB THR A 41 8.584 -4.713 -7.422 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.551 -4.340 -9.473 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.195 -5.296 -7.714 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.513 -4.707 -6.065 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.734 -3.639 -7.257 1.00 0.00 H new ATOM 612 N VAL A 42 8.126 -2.700 -4.305 1.00 0.00 N ATOM 613 CA VAL A 42 8.549 -3.121 -2.932 1.00 0.00 C ATOM 614 C VAL A 42 7.492 -4.053 -2.350 1.00 0.00 C ATOM 615 O VAL A 42 6.314 -3.918 -2.628 1.00 0.00 O ATOM 616 CB VAL A 42 8.710 -1.910 -1.993 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.117 -1.326 -2.137 1.00 0.00 C ATOM 618 CG2 VAL A 42 7.665 -0.829 -2.310 1.00 0.00 C ATOM 0 H VAL A 42 7.345 -2.045 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 42 9.512 -3.625 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 42 8.558 -2.247 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.226 -0.470 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.854 -2.085 -1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.275 -1.006 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.799 0.016 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.790 -0.493 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.664 -1.242 -2.182 1.00 0.00 H new ATOM 628 N ASN A 43 7.904 -4.991 -1.538 1.00 0.00 N ATOM 629 CA ASN A 43 6.926 -5.930 -0.925 1.00 0.00 C ATOM 630 C ASN A 43 6.063 -5.159 0.072 1.00 0.00 C ATOM 631 O ASN A 43 6.560 -4.373 0.856 1.00 0.00 O ATOM 632 CB ASN A 43 7.677 -7.047 -0.196 1.00 0.00 C ATOM 633 CG ASN A 43 6.771 -8.274 -0.074 1.00 0.00 C ATOM 634 OD1 ASN A 43 6.915 -9.076 0.946 1.00 0.00 O flip ATOM 635 ND2 ASN A 43 5.923 -8.505 -0.913 1.00 0.00 N flip ATOM 0 H ASN A 43 8.877 -5.145 -1.274 1.00 0.00 H new ATOM 0 HA ASN A 43 6.296 -6.369 -1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.585 -7.305 -0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.984 -6.708 0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.810 -7.879 -1.710 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.324 -9.325 -0.820 1.00 0.00 H new ATOM 642 N LEU A 44 4.770 -5.378 0.052 1.00 0.00 N ATOM 643 CA LEU A 44 3.860 -4.660 1.002 1.00 0.00 C ATOM 644 C LEU A 44 4.368 -4.854 2.438 1.00 0.00 C ATOM 645 O LEU A 44 4.192 -4.004 3.291 1.00 0.00 O ATOM 646 CB LEU A 44 2.438 -5.230 0.848 1.00 0.00 C ATOM 647 CG LEU A 44 1.371 -4.267 1.407 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.495 -4.176 2.928 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.520 -2.866 0.794 1.00 0.00 C ATOM 0 H LEU A 44 4.304 -6.025 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 44 3.844 -3.593 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.236 -5.424 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.372 -6.186 1.367 1.00 0.00 H new ATOM 0 HG LEU A 44 0.389 -4.659 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.738 -3.494 3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.350 -5.164 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.486 -3.805 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.756 -2.206 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.507 -2.469 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.403 -2.928 -0.288 1.00 0.00 H new ATOM 661 N LYS A 45 5.022 -5.959 2.697 1.00 0.00 N ATOM 662 CA LYS A 45 5.572 -6.212 4.059 1.00 0.00 C ATOM 663 C LYS A 45 7.009 -5.676 4.114 1.00 0.00 C ATOM 664 O LYS A 45 7.955 -6.416 4.319 1.00 0.00 O ATOM 665 CB LYS A 45 5.566 -7.717 4.344 1.00 0.00 C ATOM 666 CG LYS A 45 4.144 -8.260 4.192 1.00 0.00 C ATOM 667 CD LYS A 45 3.934 -8.748 2.757 1.00 0.00 C ATOM 668 CE LYS A 45 2.966 -9.931 2.756 1.00 0.00 C ATOM 669 NZ LYS A 45 3.608 -11.100 3.420 1.00 0.00 N ATOM 0 H LYS A 45 5.198 -6.699 2.018 1.00 0.00 H new ATOM 0 HA LYS A 45 4.961 -5.710 4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.238 -8.231 3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.934 -7.908 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.979 -9.078 4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.419 -7.483 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.538 -7.940 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.887 -9.044 2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.047 -9.663 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.689 -10.187 1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.275 -11.979 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.641 -11.031 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.356 -11.107 4.429 1.00 0.00 H new ATOM 683 N SER A 46 7.174 -4.391 3.928 1.00 0.00 N ATOM 684 CA SER A 46 8.539 -3.788 3.962 1.00 0.00 C ATOM 685 C SER A 46 8.432 -2.356 4.487 1.00 0.00 C ATOM 686 O SER A 46 8.298 -1.416 3.729 1.00 0.00 O ATOM 687 CB SER A 46 9.134 -3.777 2.550 1.00 0.00 C ATOM 688 OG SER A 46 10.548 -3.890 2.637 1.00 0.00 O ATOM 0 H SER A 46 6.417 -3.731 3.753 1.00 0.00 H new ATOM 0 HA SER A 46 9.186 -4.374 4.614 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.727 -4.601 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.862 -2.856 2.035 1.00 0.00 H new ATOM 0 HG SER A 46 10.933 -3.885 1.736 1.00 0.00 H new ATOM 694 N ILE A 47 8.476 -2.193 5.784 1.00 0.00 N ATOM 695 CA ILE A 47 8.362 -0.829 6.376 1.00 0.00 C ATOM 696 C ILE A 47 9.640 -0.033 6.099 1.00 0.00 C ATOM 697 O ILE A 47 9.593 1.151 5.829 1.00 0.00 O ATOM 698 CB ILE A 47 8.143 -0.947 7.884 1.00 0.00 C ATOM 699 CG1 ILE A 47 6.938 -1.866 8.142 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.873 0.448 8.464 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.668 -1.971 9.645 1.00 0.00 C ATOM 0 H ILE A 47 8.586 -2.949 6.460 1.00 0.00 H new ATOM 0 HA ILE A 47 7.516 -0.309 5.926 1.00 0.00 H new ATOM 0 HB ILE A 47 9.028 -1.368 8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.057 -1.475 7.633 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.131 -2.856 7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.716 0.371 9.540 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.728 1.095 8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.983 0.870 7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.812 -2.624 9.816 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.545 -2.383 10.144 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.454 -0.980 10.046 1.00 0.00 H new ATOM 713 N MET A 48 10.778 -0.674 6.169 1.00 0.00 N ATOM 714 CA MET A 48 12.064 0.042 5.916 1.00 0.00 C ATOM 715 C MET A 48 12.267 0.238 4.409 1.00 0.00 C ATOM 716 O MET A 48 12.930 1.164 3.981 1.00 0.00 O ATOM 717 CB MET A 48 13.223 -0.784 6.480 1.00 0.00 C ATOM 718 CG MET A 48 14.369 0.149 6.876 1.00 0.00 C ATOM 719 SD MET A 48 15.321 -0.606 8.217 1.00 0.00 S ATOM 720 CE MET A 48 16.400 -1.629 7.184 1.00 0.00 C ATOM 0 H MET A 48 10.872 -1.665 6.391 1.00 0.00 H new ATOM 0 HA MET A 48 12.033 1.017 6.403 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.889 -1.355 7.346 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.566 -1.504 5.737 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.014 0.336 6.017 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.974 1.114 7.194 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.084 -2.193 7.819 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.794 -2.321 6.599 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.973 -0.990 6.512 1.00 0.00 H new ATOM 730 N GLY A 49 11.710 -0.632 3.604 1.00 0.00 N ATOM 731 CA GLY A 49 11.876 -0.506 2.124 1.00 0.00 C ATOM 732 C GLY A 49 11.008 0.638 1.592 1.00 0.00 C ATOM 733 O GLY A 49 11.391 1.341 0.675 1.00 0.00 O ATOM 0 H GLY A 49 11.146 -1.426 3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.923 -0.321 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.597 -1.441 1.638 1.00 0.00 H new ATOM 737 N VAL A 50 9.842 0.825 2.155 1.00 0.00 N ATOM 738 CA VAL A 50 8.942 1.919 1.681 1.00 0.00 C ATOM 739 C VAL A 50 9.575 3.280 1.988 1.00 0.00 C ATOM 740 O VAL A 50 9.405 4.230 1.248 1.00 0.00 O ATOM 741 CB VAL A 50 7.588 1.804 2.390 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.628 2.870 1.851 1.00 0.00 C ATOM 743 CG2 VAL A 50 6.995 0.412 2.135 1.00 0.00 C ATOM 0 H VAL A 50 9.474 0.266 2.924 1.00 0.00 H new ATOM 0 HA VAL A 50 8.797 1.830 0.604 1.00 0.00 H new ATOM 0 HB VAL A 50 7.729 1.953 3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.667 2.784 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.046 3.860 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.487 2.725 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.032 0.329 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.858 0.266 1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.673 -0.349 2.521 1.00 0.00 H new ATOM 753 N VAL A 51 10.299 3.380 3.074 1.00 0.00 N ATOM 754 CA VAL A 51 10.941 4.681 3.434 1.00 0.00 C ATOM 755 C VAL A 51 12.160 4.918 2.538 1.00 0.00 C ATOM 756 O VAL A 51 12.507 6.044 2.237 1.00 0.00 O ATOM 757 CB VAL A 51 11.385 4.643 4.898 1.00 0.00 C ATOM 758 CG1 VAL A 51 11.903 6.021 5.312 1.00 0.00 C ATOM 759 CG2 VAL A 51 10.194 4.263 5.782 1.00 0.00 C ATOM 0 H VAL A 51 10.473 2.616 3.727 1.00 0.00 H new ATOM 0 HA VAL A 51 10.224 5.489 3.291 1.00 0.00 H new ATOM 0 HB VAL A 51 12.179 3.905 5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.219 5.993 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.750 6.295 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.109 6.759 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.509 4.236 6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.401 5.001 5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.822 3.281 5.489 1.00 0.00 H new ATOM 769 N SER A 52 12.811 3.865 2.117 1.00 0.00 N ATOM 770 CA SER A 52 14.013 4.019 1.244 1.00 0.00 C ATOM 771 C SER A 52 13.612 4.668 -0.083 1.00 0.00 C ATOM 772 O SER A 52 14.406 5.333 -0.721 1.00 0.00 O ATOM 773 CB SER A 52 14.623 2.643 0.973 1.00 0.00 C ATOM 774 OG SER A 52 13.761 1.908 0.114 1.00 0.00 O ATOM 0 H SER A 52 12.561 2.902 2.341 1.00 0.00 H new ATOM 0 HA SER A 52 14.744 4.652 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.606 2.752 0.514 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.767 2.105 1.910 1.00 0.00 H new ATOM 0 HG SER A 52 12.836 1.994 0.427 1.00 0.00 H new ATOM 780 N LEU A 53 12.387 4.476 -0.506 1.00 0.00 N ATOM 781 CA LEU A 53 11.931 5.076 -1.795 1.00 0.00 C ATOM 782 C LEU A 53 11.837 6.599 -1.653 1.00 0.00 C ATOM 783 O LEU A 53 12.684 7.326 -2.138 1.00 0.00 O ATOM 784 CB LEU A 53 10.558 4.508 -2.163 1.00 0.00 C ATOM 785 CG LEU A 53 10.738 3.238 -2.997 1.00 0.00 C ATOM 786 CD1 LEU A 53 11.060 2.061 -2.073 1.00 0.00 C ATOM 787 CD2 LEU A 53 9.446 2.945 -3.762 1.00 0.00 C ATOM 0 H LEU A 53 11.683 3.928 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 53 12.647 4.834 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.991 4.285 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.986 5.246 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 53 11.556 3.380 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.188 1.156 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.979 2.269 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.242 1.918 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.573 2.040 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.629 2.803 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.215 3.783 -4.420 1.00 0.00 H new ATOM 799 N GLY A 54 10.813 7.082 -0.997 1.00 0.00 N ATOM 800 CA GLY A 54 10.656 8.557 -0.823 1.00 0.00 C ATOM 801 C GLY A 54 9.314 8.997 -1.413 1.00 0.00 C ATOM 802 O GLY A 54 9.249 9.911 -2.215 1.00 0.00 O ATOM 0 H GLY A 54 10.077 6.517 -0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.704 8.817 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.473 9.082 -1.318 1.00 0.00 H new ATOM 806 N ILE A 55 8.246 8.352 -1.022 1.00 0.00 N ATOM 807 CA ILE A 55 6.900 8.720 -1.553 1.00 0.00 C ATOM 808 C ILE A 55 6.390 9.965 -0.826 1.00 0.00 C ATOM 809 O ILE A 55 6.827 10.280 0.265 1.00 0.00 O ATOM 810 CB ILE A 55 5.928 7.556 -1.328 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.489 6.290 -1.979 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.572 7.887 -1.955 1.00 0.00 C ATOM 813 CD1 ILE A 55 6.020 5.062 -1.197 1.00 0.00 C ATOM 0 H ILE A 55 8.249 7.582 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 55 6.972 8.929 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 55 5.803 7.394 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.156 6.223 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.578 6.329 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.884 7.057 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.168 8.788 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.696 8.051 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.420 4.160 -1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.375 5.128 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.931 5.021 -1.203 1.00 0.00 H new ATOM 825 N ALA A 56 5.469 10.675 -1.426 1.00 0.00 N ATOM 826 CA ALA A 56 4.925 11.905 -0.783 1.00 0.00 C ATOM 827 C ALA A 56 3.500 12.160 -1.283 1.00 0.00 C ATOM 828 O ALA A 56 2.894 11.313 -1.912 1.00 0.00 O ATOM 829 CB ALA A 56 5.818 13.095 -1.139 1.00 0.00 C ATOM 0 H ALA A 56 5.070 10.453 -2.338 1.00 0.00 H new ATOM 0 HA ALA A 56 4.905 11.775 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.425 13.998 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.830 12.911 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.836 13.225 -2.221 1.00 0.00 H new ATOM 835 N LYS A 57 2.964 13.321 -1.005 1.00 0.00 N ATOM 836 CA LYS A 57 1.578 13.642 -1.457 1.00 0.00 C ATOM 837 C LYS A 57 1.574 13.908 -2.962 1.00 0.00 C ATOM 838 O LYS A 57 2.524 14.435 -3.510 1.00 0.00 O ATOM 839 CB LYS A 57 1.079 14.883 -0.722 1.00 0.00 C ATOM 840 CG LYS A 57 -0.442 14.991 -0.866 1.00 0.00 C ATOM 841 CD LYS A 57 -0.840 16.461 -1.023 1.00 0.00 C ATOM 842 CE LYS A 57 -0.538 16.922 -2.451 1.00 0.00 C ATOM 843 NZ LYS A 57 -1.452 18.041 -2.817 1.00 0.00 N ATOM 0 H LYS A 57 3.429 14.063 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 57 0.924 12.798 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.351 14.827 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.557 15.775 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.777 14.419 -1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.932 14.563 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.901 16.587 -0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.293 17.075 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.500 17.246 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.665 16.092 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.246 18.354 -3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.438 17.717 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.310 18.835 -2.160 1.00 0.00 H new ATOM 857 N GLY A 58 0.508 13.549 -3.632 1.00 0.00 N ATOM 858 CA GLY A 58 0.430 13.780 -5.105 1.00 0.00 C ATOM 859 C GLY A 58 1.255 12.719 -5.832 1.00 0.00 C ATOM 860 O GLY A 58 2.162 13.033 -6.582 1.00 0.00 O ATOM 0 H GLY A 58 -0.313 13.105 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.608 13.739 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.803 14.775 -5.348 1.00 0.00 H new ATOM 864 N ALA A 59 0.947 11.466 -5.616 1.00 0.00 N ATOM 865 CA ALA A 59 1.708 10.374 -6.290 1.00 0.00 C ATOM 866 C ALA A 59 0.750 9.248 -6.679 1.00 0.00 C ATOM 867 O ALA A 59 -0.402 9.239 -6.286 1.00 0.00 O ATOM 868 CB ALA A 59 2.775 9.832 -5.338 1.00 0.00 C ATOM 0 H ALA A 59 0.198 11.152 -4.999 1.00 0.00 H new ATOM 0 HA ALA A 59 2.188 10.767 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.331 9.034 -5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.459 10.635 -5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.297 9.440 -4.440 1.00 0.00 H new ATOM 874 N GLU A 60 1.220 8.298 -7.445 1.00 0.00 N ATOM 875 CA GLU A 60 0.346 7.165 -7.865 1.00 0.00 C ATOM 876 C GLU A 60 1.027 5.840 -7.518 1.00 0.00 C ATOM 877 O GLU A 60 2.180 5.623 -7.839 1.00 0.00 O ATOM 878 CB GLU A 60 0.106 7.236 -9.374 1.00 0.00 C ATOM 879 CG GLU A 60 -0.608 8.544 -9.716 1.00 0.00 C ATOM 880 CD GLU A 60 0.427 9.642 -9.972 1.00 0.00 C ATOM 881 OE1 GLU A 60 1.089 9.577 -10.994 1.00 0.00 O ATOM 882 OE2 GLU A 60 0.539 10.528 -9.141 1.00 0.00 O ATOM 0 H GLU A 60 2.176 8.259 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.609 7.231 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.055 7.177 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.495 6.386 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.235 8.408 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.267 8.835 -8.898 1.00 0.00 H new ATOM 889 N ILE A 61 0.318 4.956 -6.865 1.00 0.00 N ATOM 890 CA ILE A 61 0.914 3.639 -6.490 1.00 0.00 C ATOM 891 C ILE A 61 0.104 2.515 -7.137 1.00 0.00 C ATOM 892 O ILE A 61 -1.097 2.621 -7.303 1.00 0.00 O ATOM 893 CB ILE A 61 0.891 3.483 -4.966 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.529 3.735 -4.446 1.00 0.00 C ATOM 895 CG2 ILE A 61 1.851 4.496 -4.339 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.578 3.479 -2.938 1.00 0.00 C ATOM 0 H ILE A 61 -0.651 5.090 -6.575 1.00 0.00 H new ATOM 0 HA ILE A 61 1.945 3.590 -6.840 1.00 0.00 H new ATOM 0 HB ILE A 61 1.200 2.472 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.829 4.761 -4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.236 3.083 -4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.837 4.388 -3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.861 4.317 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.540 5.506 -4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.588 3.659 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.297 2.446 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.116 4.150 -2.432 1.00 0.00 H new ATOM 908 N THR A 62 0.754 1.441 -7.509 1.00 0.00 N ATOM 909 CA THR A 62 0.030 0.306 -8.153 1.00 0.00 C ATOM 910 C THR A 62 0.243 -0.971 -7.335 1.00 0.00 C ATOM 911 O THR A 62 1.314 -1.548 -7.340 1.00 0.00 O ATOM 912 CB THR A 62 0.567 0.097 -9.571 1.00 0.00 C ATOM 913 OG1 THR A 62 0.926 1.355 -10.128 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.509 -0.558 -10.437 1.00 0.00 C ATOM 0 H THR A 62 1.758 1.302 -7.393 1.00 0.00 H new ATOM 0 HA THR A 62 -1.035 0.535 -8.196 1.00 0.00 H new ATOM 0 HB THR A 62 1.443 -0.550 -9.536 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.272 1.224 -11.036 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.124 -0.706 -11.446 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.784 -1.522 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.388 0.086 -10.475 1.00 0.00 H new ATOM 922 N ILE A 63 -0.773 -1.414 -6.637 1.00 0.00 N ATOM 923 CA ILE A 63 -0.642 -2.654 -5.818 1.00 0.00 C ATOM 924 C ILE A 63 -1.089 -3.859 -6.650 1.00 0.00 C ATOM 925 O ILE A 63 -1.868 -3.731 -7.576 1.00 0.00 O ATOM 926 CB ILE A 63 -1.519 -2.529 -4.567 1.00 0.00 C ATOM 927 CG1 ILE A 63 -1.088 -1.294 -3.771 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.362 -3.779 -3.695 1.00 0.00 C ATOM 929 CD1 ILE A 63 -2.040 -1.081 -2.590 1.00 0.00 C ATOM 0 H ILE A 63 -1.689 -0.968 -6.600 1.00 0.00 H new ATOM 0 HA ILE A 63 0.396 -2.791 -5.517 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.563 -2.430 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.068 -1.421 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.091 -0.415 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.988 -3.684 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.667 -4.659 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.320 -3.884 -3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.729 -0.201 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.054 -0.934 -2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.015 -1.956 -1.940 1.00 0.00 H new ATOM 941 N SER A 64 -0.597 -5.029 -6.325 1.00 0.00 N ATOM 942 CA SER A 64 -0.985 -6.249 -7.091 1.00 0.00 C ATOM 943 C SER A 64 -0.935 -7.472 -6.171 1.00 0.00 C ATOM 944 O SER A 64 0.127 -7.959 -5.831 1.00 0.00 O ATOM 945 CB SER A 64 -0.013 -6.448 -8.254 1.00 0.00 C ATOM 946 OG SER A 64 1.295 -6.070 -7.845 1.00 0.00 O ATOM 0 H SER A 64 0.058 -5.190 -5.560 1.00 0.00 H new ATOM 0 HA SER A 64 -1.997 -6.128 -7.476 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.019 -7.490 -8.574 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.325 -5.850 -9.110 1.00 0.00 H new ATOM 0 HG SER A 64 1.520 -6.525 -7.006 1.00 0.00 H new ATOM 952 N ALA A 65 -2.078 -7.972 -5.775 1.00 0.00 N ATOM 953 CA ALA A 65 -2.110 -9.170 -4.884 1.00 0.00 C ATOM 954 C ALA A 65 -2.140 -10.434 -5.747 1.00 0.00 C ATOM 955 O ALA A 65 -3.001 -10.595 -6.591 1.00 0.00 O ATOM 956 CB ALA A 65 -3.366 -9.120 -4.011 1.00 0.00 C ATOM 0 H ALA A 65 -2.993 -7.601 -6.031 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.226 -9.180 -4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.391 -9.994 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.351 -8.215 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.251 -9.116 -4.647 1.00 0.00 H new ATOM 962 N SER A 66 -1.204 -11.328 -5.546 1.00 0.00 N ATOM 963 CA SER A 66 -1.175 -12.580 -6.361 1.00 0.00 C ATOM 964 C SER A 66 -0.916 -13.783 -5.453 1.00 0.00 C ATOM 965 O SER A 66 0.183 -13.981 -4.969 1.00 0.00 O ATOM 966 CB SER A 66 -0.068 -12.487 -7.413 1.00 0.00 C ATOM 967 OG SER A 66 0.240 -11.121 -7.663 1.00 0.00 O ATOM 0 H SER A 66 -0.460 -11.245 -4.853 1.00 0.00 H new ATOM 0 HA SER A 66 -2.137 -12.703 -6.858 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.822 -13.013 -7.067 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.387 -12.973 -8.335 1.00 0.00 H new ATOM 0 HG SER A 66 0.950 -11.064 -8.336 1.00 0.00 H new ATOM 973 N GLY A 67 -1.922 -14.591 -5.222 1.00 0.00 N ATOM 974 CA GLY A 67 -1.743 -15.788 -4.348 1.00 0.00 C ATOM 975 C GLY A 67 -3.080 -16.513 -4.185 1.00 0.00 C ATOM 976 O GLY A 67 -3.835 -16.660 -5.128 1.00 0.00 O ATOM 0 H GLY A 67 -2.861 -14.471 -5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.004 -16.461 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.362 -15.484 -3.373 1.00 0.00 H new ATOM 980 N ALA A 68 -3.375 -16.968 -2.994 1.00 0.00 N ATOM 981 CA ALA A 68 -4.661 -17.688 -2.757 1.00 0.00 C ATOM 982 C ALA A 68 -5.765 -16.674 -2.448 1.00 0.00 C ATOM 983 O ALA A 68 -6.712 -16.530 -3.197 1.00 0.00 O ATOM 984 CB ALA A 68 -4.502 -18.642 -1.573 1.00 0.00 C ATOM 0 H ALA A 68 -2.778 -16.871 -2.173 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.927 -18.256 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.441 -19.167 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.716 -19.365 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.235 -18.074 -0.682 1.00 0.00 H new ATOM 990 N ASP A 69 -5.645 -15.972 -1.351 1.00 0.00 N ATOM 991 CA ASP A 69 -6.682 -14.962 -0.983 1.00 0.00 C ATOM 992 C ASP A 69 -6.232 -13.576 -1.455 1.00 0.00 C ATOM 993 O ASP A 69 -6.375 -12.593 -0.753 1.00 0.00 O ATOM 994 CB ASP A 69 -6.868 -14.952 0.537 1.00 0.00 C ATOM 995 CG ASP A 69 -5.515 -14.740 1.218 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.975 -13.653 1.093 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.041 -15.667 1.852 1.00 0.00 O ATOM 0 H ASP A 69 -4.871 -16.055 -0.692 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.627 -15.219 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.559 -14.159 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.309 -15.893 0.866 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.687 -13.495 -2.643 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.219 -12.181 -3.176 1.00 0.00 C ATOM 1004 C GLU A 70 -6.396 -11.201 -3.257 1.00 0.00 C ATOM 1005 O GLU A 70 -6.220 -10.001 -3.157 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.620 -12.381 -4.575 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.664 -13.003 -5.509 1.00 0.00 C ATOM 1008 CD GLU A 70 -4.982 -13.479 -6.793 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.453 -12.641 -7.505 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.000 -14.673 -7.042 1.00 0.00 O ATOM 0 H GLU A 70 -5.546 -14.288 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.460 -11.773 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.285 -11.424 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.743 -13.026 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.157 -13.840 -5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.437 -12.272 -5.745 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.591 -11.705 -3.439 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.781 -10.810 -3.529 1.00 0.00 C ATOM 1019 C ASN A 71 -9.130 -10.279 -2.136 1.00 0.00 C ATOM 1020 O ASN A 71 -9.558 -9.150 -1.980 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.968 -11.598 -4.086 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.679 -12.002 -5.532 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -8.975 -12.963 -5.777 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -10.194 -11.305 -6.508 1.00 0.00 N ATOM 0 H ASN A 71 -7.792 -12.701 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.556 -9.973 -4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.147 -12.485 -3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.873 -10.993 -4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.006 -11.566 -7.476 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.784 -10.499 -6.303 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.947 -11.089 -1.125 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.266 -10.647 0.265 1.00 0.00 C ATOM 1033 C ASP A 72 -8.197 -9.669 0.763 1.00 0.00 C ATOM 1034 O ASP A 72 -8.450 -8.856 1.632 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.305 -11.866 1.190 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.348 -12.862 0.680 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -10.200 -13.323 -0.440 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -11.277 -13.147 1.418 1.00 0.00 O ATOM 0 H ASP A 72 -8.589 -12.041 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.236 -10.150 0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.324 -12.339 1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.549 -11.557 2.206 1.00 0.00 H new ATOM 1043 N ALA A 73 -7.004 -9.747 0.228 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.916 -8.832 0.682 1.00 0.00 C ATOM 1045 C ALA A 73 -6.049 -7.458 0.013 1.00 0.00 C ATOM 1046 O ALA A 73 -5.884 -6.440 0.656 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.561 -9.440 0.320 1.00 0.00 C ATOM 0 H ALA A 73 -6.738 -10.406 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.994 -8.705 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.764 -8.774 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.453 -10.407 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.499 -9.573 -0.760 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.321 -7.418 -1.269 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.429 -6.100 -1.968 1.00 0.00 C ATOM 1055 C LEU A 74 -7.575 -5.267 -1.380 1.00 0.00 C ATOM 1056 O LEU A 74 -7.439 -4.071 -1.194 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.636 -6.314 -3.478 1.00 0.00 C ATOM 1058 CG LEU A 74 -8.000 -6.956 -3.768 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -9.073 -5.865 -3.907 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.906 -7.753 -5.073 1.00 0.00 C ATOM 0 H LEU A 74 -6.472 -8.237 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.499 -5.552 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.564 -5.358 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.842 -6.949 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.274 -7.619 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.038 -6.328 -4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.134 -5.295 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.809 -5.197 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.870 -8.213 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.633 -7.084 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.148 -8.529 -4.971 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.700 -5.876 -1.094 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.844 -5.095 -0.529 1.00 0.00 C ATOM 1074 C ASN A 75 -9.564 -4.754 0.939 1.00 0.00 C ATOM 1075 O ASN A 75 -10.052 -3.768 1.453 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.152 -5.895 -0.657 1.00 0.00 C ATOM 1077 CG ASN A 75 -11.099 -7.159 0.205 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.179 -7.938 0.100 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -12.058 -7.395 1.058 1.00 0.00 N ATOM 0 H ASN A 75 -8.875 -6.872 -1.226 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.954 -4.168 -1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.995 -5.275 -0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.318 -6.166 -1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.032 -8.235 1.635 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.834 -6.739 1.147 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.778 -5.559 1.614 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.464 -5.273 3.045 1.00 0.00 C ATOM 1088 C ALA A 76 -7.683 -3.960 3.138 1.00 0.00 C ATOM 1089 O ALA A 76 -8.092 -3.031 3.809 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.620 -6.409 3.624 1.00 0.00 C ATOM 0 H ALA A 76 -8.342 -6.400 1.234 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.392 -5.189 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.392 -6.197 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.174 -7.345 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.691 -6.496 3.061 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.559 -3.879 2.470 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.741 -2.630 2.515 1.00 0.00 C ATOM 1098 C LEU A 77 -6.527 -1.471 1.899 1.00 0.00 C ATOM 1099 O LEU A 77 -6.314 -0.325 2.237 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.443 -2.835 1.731 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.742 -4.120 2.207 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.547 -5.066 1.023 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.374 -3.774 2.806 1.00 0.00 C ATOM 0 H LEU A 77 -6.173 -4.627 1.894 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.507 -2.396 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.658 -2.901 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.784 -1.978 1.870 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.359 -4.603 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.051 -5.975 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.517 -5.320 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.934 -4.579 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.882 -4.687 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.758 -3.287 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.507 -3.102 3.653 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.428 -1.758 0.992 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.228 -0.671 0.347 1.00 0.00 C ATOM 1117 C GLU A 78 -9.057 0.064 1.413 1.00 0.00 C ATOM 1118 O GLU A 78 -8.941 1.264 1.578 1.00 0.00 O ATOM 1119 CB GLU A 78 -9.153 -1.294 -0.714 1.00 0.00 C ATOM 1120 CG GLU A 78 -10.085 -0.232 -1.317 1.00 0.00 C ATOM 1121 CD GLU A 78 -10.551 -0.688 -2.701 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -10.837 -1.864 -2.851 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -10.616 0.148 -3.587 1.00 0.00 O ATOM 0 H GLU A 78 -7.644 -2.701 0.670 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.562 0.047 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.554 -1.749 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.745 -2.091 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.945 -0.075 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.565 0.723 -1.393 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.895 -0.645 2.125 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.741 0.006 3.172 1.00 0.00 C ATOM 1132 C GLU A 79 -9.854 0.673 4.229 1.00 0.00 C ATOM 1133 O GLU A 79 -10.256 1.626 4.868 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.627 -1.050 3.835 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.759 -2.197 4.359 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.518 -2.953 5.452 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -12.726 -3.067 5.335 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -10.876 -3.406 6.385 1.00 0.00 O ATOM 0 H GLU A 79 -10.031 -1.651 2.026 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.365 0.768 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.190 -0.604 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.355 -1.430 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.502 -2.874 3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.822 -1.806 4.756 1.00 0.00 H new ATOM 1145 N THR A 80 -8.653 0.183 4.414 1.00 0.00 N ATOM 1146 CA THR A 80 -7.742 0.794 5.426 1.00 0.00 C ATOM 1147 C THR A 80 -7.258 2.150 4.907 1.00 0.00 C ATOM 1148 O THR A 80 -7.054 3.080 5.662 1.00 0.00 O ATOM 1149 CB THR A 80 -6.539 -0.126 5.651 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.996 -1.436 5.955 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.696 0.406 6.812 1.00 0.00 C ATOM 0 H THR A 80 -8.266 -0.613 3.907 1.00 0.00 H new ATOM 0 HA THR A 80 -8.274 0.928 6.368 1.00 0.00 H new ATOM 0 HB THR A 80 -5.930 -0.155 4.747 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.326 -1.865 5.138 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.840 -0.250 6.971 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.344 1.410 6.576 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.302 0.437 7.717 1.00 0.00 H new ATOM 1159 N MET A 81 -7.080 2.258 3.618 1.00 0.00 N ATOM 1160 CA MET A 81 -6.617 3.542 3.017 1.00 0.00 C ATOM 1161 C MET A 81 -7.747 4.572 3.079 1.00 0.00 C ATOM 1162 O MET A 81 -7.510 5.762 3.165 1.00 0.00 O ATOM 1163 CB MET A 81 -6.227 3.298 1.556 1.00 0.00 C ATOM 1164 CG MET A 81 -4.799 2.743 1.484 1.00 0.00 C ATOM 1165 SD MET A 81 -3.640 4.073 1.066 1.00 0.00 S ATOM 1166 CE MET A 81 -2.235 3.018 0.629 1.00 0.00 C ATOM 0 H MET A 81 -7.237 1.504 2.949 1.00 0.00 H new ATOM 0 HA MET A 81 -5.756 3.918 3.570 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.923 2.596 1.097 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.294 4.228 0.992 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.524 2.297 2.440 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.744 1.952 0.736 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.305 3.527 0.882 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.298 2.081 1.182 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.255 2.810 -0.441 1.00 0.00 H new ATOM 1176 N LYS A 82 -8.974 4.119 3.029 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.133 5.059 3.076 1.00 0.00 C ATOM 1178 C LYS A 82 -10.502 5.377 4.531 1.00 0.00 C ATOM 1179 O LYS A 82 -11.139 6.376 4.807 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.332 4.413 2.378 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.308 4.769 0.890 1.00 0.00 C ATOM 1182 CD LYS A 82 -12.309 3.890 0.139 1.00 0.00 C ATOM 1183 CE LYS A 82 -12.758 4.604 -1.137 1.00 0.00 C ATOM 1184 NZ LYS A 82 -13.679 3.718 -1.904 1.00 0.00 N ATOM 0 H LYS A 82 -9.223 3.133 2.957 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.861 5.986 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.301 3.331 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.261 4.760 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.557 5.821 0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.306 4.624 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.853 2.932 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.170 3.679 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.260 5.538 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.892 4.861 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.985 4.203 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.185 2.838 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.511 3.494 -1.321 1.00 0.00 H new ATOM 1198 N SER A 83 -10.115 4.536 5.461 1.00 0.00 N ATOM 1199 CA SER A 83 -10.453 4.791 6.893 1.00 0.00 C ATOM 1200 C SER A 83 -9.471 5.803 7.487 1.00 0.00 C ATOM 1201 O SER A 83 -9.867 6.821 8.024 1.00 0.00 O ATOM 1202 CB SER A 83 -10.368 3.480 7.676 1.00 0.00 C ATOM 1203 OG SER A 83 -9.110 2.865 7.427 1.00 0.00 O ATOM 0 H SER A 83 -9.580 3.685 5.288 1.00 0.00 H new ATOM 0 HA SER A 83 -11.464 5.192 6.957 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.487 3.671 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.177 2.813 7.379 1.00 0.00 H new ATOM 0 HG SER A 83 -8.985 2.114 8.045 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.193 5.528 7.399 1.00 0.00 N ATOM 1210 CA GLU A 84 -7.179 6.468 7.962 1.00 0.00 C ATOM 1211 C GLU A 84 -7.068 7.707 7.070 1.00 0.00 C ATOM 1212 O GLU A 84 -6.710 8.776 7.526 1.00 0.00 O ATOM 1213 CB GLU A 84 -5.820 5.767 8.033 1.00 0.00 C ATOM 1214 CG GLU A 84 -5.901 4.596 9.014 1.00 0.00 C ATOM 1215 CD GLU A 84 -4.517 4.332 9.610 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -3.544 4.490 8.892 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -4.455 3.978 10.776 1.00 0.00 O ATOM 0 H GLU A 84 -7.809 4.691 6.960 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.487 6.773 8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.532 5.408 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.052 6.471 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.613 4.821 9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.265 3.704 8.503 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.366 7.570 5.801 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.273 8.737 4.876 1.00 0.00 C ATOM 1226 C GLY A 85 -5.862 8.805 4.292 1.00 0.00 C ATOM 1227 O GLY A 85 -5.292 9.870 4.142 1.00 0.00 O ATOM 0 H GLY A 85 -7.670 6.698 5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.006 8.641 4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.503 9.659 5.410 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.297 7.671 3.965 1.00 0.00 N ATOM 1232 CA LEU A 86 -3.920 7.649 3.392 1.00 0.00 C ATOM 1233 C LEU A 86 -3.981 7.955 1.895 1.00 0.00 C ATOM 1234 O LEU A 86 -3.299 8.836 1.405 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.308 6.265 3.608 1.00 0.00 C ATOM 1236 CG LEU A 86 -2.985 6.077 5.090 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.517 4.643 5.330 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -1.875 7.050 5.499 1.00 0.00 C ATOM 0 H LEU A 86 -5.734 6.755 4.071 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.306 8.402 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.002 5.493 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.402 6.159 3.011 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.878 6.274 5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.286 4.508 6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.306 3.949 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.624 4.447 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.645 6.916 6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.982 6.854 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.207 8.074 5.327 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.795 7.233 1.165 1.00 0.00 N ATOM 1251 CA GLY A 87 -4.907 7.475 -0.304 1.00 0.00 C ATOM 1252 C GLY A 87 -6.253 6.951 -0.809 1.00 0.00 C ATOM 1253 O GLY A 87 -6.763 5.960 -0.323 1.00 0.00 O ATOM 0 H GLY A 87 -5.387 6.485 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.818 8.541 -0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.091 6.977 -0.828 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.828 7.611 -1.782 1.00 0.00 N ATOM 1258 CA GLU A 88 -8.144 7.159 -2.325 1.00 0.00 C ATOM 1259 C GLU A 88 -8.172 7.376 -3.843 1.00 0.00 C ATOM 1260 O GLU A 88 -8.613 8.432 -4.267 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.280 7.953 -1.665 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.962 9.455 -1.695 1.00 0.00 C ATOM 1263 CD GLU A 88 -8.449 9.901 -0.324 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -9.162 9.705 0.646 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -7.351 10.431 -0.268 1.00 0.00 O ATOM 1266 OXT GLU A 88 -7.753 6.479 -4.554 1.00 0.00 O ATOM 0 H GLU A 88 -6.442 8.445 -2.224 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.279 6.099 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.218 7.762 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.414 7.622 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.213 9.663 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.855 10.020 -1.961 1.00 0.00 H new