USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=20 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=-0.00132 X(o=-1.3,f=-1.3) USER MOD Set 1.2: A 43 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.4!) USER MOD Single : A 3 GLN : amide:sc= -0.0854 K(o=-0.085,f=-2.1!) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0387) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.408) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.321 USER MOD Single : A 15 HIS :FLIP no HE2:sc= -3.97! C(o=-5.5!,f=-4!) USER MOD Single : A 20 THR OG1 : rot 78:sc= 0.515 USER MOD Single : A 24 GLN : amide:sc= -0.0958 X(o=-0.096,f=0) USER MOD Single : A 25 THR OG1 : rot -140:sc= 0 USER MOD Single : A 27 SER OG : rot 71:sc= 0.328 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.00128 K(o=-0.0013,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 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 12:sc= 0.277! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0484 X(o=-0.048,f=0) USER MOD Single : A 75 ASN : amide:sc= -6.06 K(o=-6.1,f=-20!) USER MOD Single : A 80 THR OG1 : rot 99:sc= 1.22 USER MOD Single : A 81 MET CE :methyl -111:sc= -1.75! (180deg=-5.26!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -47:sc= -0.255 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 3 8.512 -0.023 8.532 1.00 0.00 N ATOM 12 CA GLN A 3 7.082 0.217 8.184 1.00 0.00 C ATOM 13 C GLN A 3 6.796 1.721 8.199 1.00 0.00 C ATOM 14 O GLN A 3 7.698 2.530 8.308 1.00 0.00 O ATOM 15 CB GLN A 3 6.182 -0.494 9.202 1.00 0.00 C ATOM 16 CG GLN A 3 6.515 -0.010 10.616 1.00 0.00 C ATOM 17 CD GLN A 3 5.360 -0.358 11.557 1.00 0.00 C ATOM 18 OE1 GLN A 3 4.229 -0.483 11.130 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.598 -0.521 12.830 1.00 0.00 N ATOM 0 HA GLN A 3 6.878 -0.176 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.134 -0.294 8.977 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.323 -1.573 9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.436 -0.477 10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.685 1.067 10.613 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.547 -0.416 13.189 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.835 -0.753 13.466 1.00 0.00 H new ATOM 28 N LYS A 4 5.549 2.097 8.088 1.00 0.00 N ATOM 29 CA LYS A 4 5.192 3.545 8.092 1.00 0.00 C ATOM 30 C LYS A 4 3.668 3.686 8.037 1.00 0.00 C ATOM 31 O LYS A 4 2.950 2.706 7.979 1.00 0.00 O ATOM 32 CB LYS A 4 5.818 4.224 6.867 1.00 0.00 C ATOM 33 CG LYS A 4 6.390 5.587 7.268 1.00 0.00 C ATOM 34 CD LYS A 4 6.501 6.481 6.028 1.00 0.00 C ATOM 35 CE LYS A 4 7.775 7.325 6.115 1.00 0.00 C ATOM 36 NZ LYS A 4 7.641 8.313 7.222 1.00 0.00 N ATOM 0 H LYS A 4 4.759 1.459 7.994 1.00 0.00 H new ATOM 0 HA LYS A 4 5.569 4.018 8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.607 3.595 6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.068 4.349 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.748 6.058 8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.371 5.461 7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.519 5.869 5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.628 7.129 5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.638 6.683 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.947 7.842 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.452 8.963 7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.761 8.854 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.616 7.812 8.133 1.00 0.00 H new ATOM 50 N THR A 5 3.175 4.897 8.056 1.00 0.00 N ATOM 51 CA THR A 5 1.699 5.109 8.005 1.00 0.00 C ATOM 52 C THR A 5 1.376 6.198 6.980 1.00 0.00 C ATOM 53 O THR A 5 1.915 7.288 7.032 1.00 0.00 O ATOM 54 CB THR A 5 1.196 5.539 9.385 1.00 0.00 C ATOM 55 OG1 THR A 5 1.711 4.654 10.371 1.00 0.00 O ATOM 56 CG2 THR A 5 -0.333 5.499 9.409 1.00 0.00 C ATOM 0 H THR A 5 3.733 5.750 8.105 1.00 0.00 H new ATOM 0 HA THR A 5 1.208 4.180 7.715 1.00 0.00 H new ATOM 0 HB THR A 5 1.533 6.554 9.595 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.391 4.928 11.256 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.690 5.805 10.392 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.727 6.178 8.652 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.674 4.485 9.199 1.00 0.00 H new ATOM 64 N PHE A 6 0.501 5.909 6.050 1.00 0.00 N ATOM 65 CA PHE A 6 0.138 6.921 5.016 1.00 0.00 C ATOM 66 C PHE A 6 -1.327 7.328 5.193 1.00 0.00 C ATOM 67 O PHE A 6 -2.175 6.509 5.489 1.00 0.00 O ATOM 68 CB PHE A 6 0.335 6.319 3.624 1.00 0.00 C ATOM 69 CG PHE A 6 1.812 6.174 3.344 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.534 5.127 3.926 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.457 7.088 2.503 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.903 4.991 3.668 1.00 0.00 C ATOM 73 CE2 PHE A 6 3.828 6.953 2.245 1.00 0.00 C ATOM 74 CZ PHE A 6 4.550 5.905 2.827 1.00 0.00 C ATOM 0 H PHE A 6 0.022 5.013 5.963 1.00 0.00 H new ATOM 0 HA PHE A 6 0.775 7.799 5.126 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.155 5.347 3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.128 6.957 2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.035 4.423 4.575 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.899 7.896 2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.460 4.182 4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.327 7.658 1.597 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.606 5.801 2.628 1.00 0.00 H new ATOM 84 N LYS A 7 -1.624 8.591 5.015 1.00 0.00 N ATOM 85 CA LYS A 7 -3.031 9.063 5.172 1.00 0.00 C ATOM 86 C LYS A 7 -3.622 9.372 3.795 1.00 0.00 C ATOM 87 O LYS A 7 -3.350 10.405 3.211 1.00 0.00 O ATOM 88 CB LYS A 7 -3.048 10.329 6.040 1.00 0.00 C ATOM 89 CG LYS A 7 -4.202 10.252 7.042 1.00 0.00 C ATOM 90 CD LYS A 7 -5.527 10.502 6.319 1.00 0.00 C ATOM 91 CE LYS A 7 -6.659 10.584 7.344 1.00 0.00 C ATOM 92 NZ LYS A 7 -7.710 11.518 6.851 1.00 0.00 N ATOM 0 H LYS A 7 -0.950 9.316 4.767 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.627 8.287 5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.101 10.432 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.159 11.212 5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.216 9.273 7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.062 10.991 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.472 11.428 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.723 9.699 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.086 9.595 7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.272 10.929 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.629 11.252 7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.473 12.490 7.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.763 11.465 5.814 1.00 0.00 H new ATOM 106 N VAL A 8 -4.429 8.482 3.274 1.00 0.00 N ATOM 107 CA VAL A 8 -5.043 8.713 1.933 1.00 0.00 C ATOM 108 C VAL A 8 -6.104 9.810 2.041 1.00 0.00 C ATOM 109 O VAL A 8 -7.124 9.637 2.681 1.00 0.00 O ATOM 110 CB VAL A 8 -5.699 7.421 1.439 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.175 7.612 -0.001 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.681 6.279 1.493 1.00 0.00 C ATOM 0 H VAL A 8 -4.689 7.603 3.722 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.269 9.020 1.229 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.550 7.178 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.642 6.693 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.899 8.426 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.323 7.854 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.148 5.359 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.829 6.520 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.340 6.144 2.519 1.00 0.00 H new ATOM 122 N THR A 9 -5.869 10.936 1.416 1.00 0.00 N ATOM 123 CA THR A 9 -6.859 12.051 1.475 1.00 0.00 C ATOM 124 C THR A 9 -7.387 12.359 0.068 1.00 0.00 C ATOM 125 O THR A 9 -7.897 13.435 -0.185 1.00 0.00 O ATOM 126 CB THR A 9 -6.181 13.299 2.042 1.00 0.00 C ATOM 127 OG1 THR A 9 -5.520 12.967 3.255 1.00 0.00 O ATOM 128 CG2 THR A 9 -7.230 14.379 2.306 1.00 0.00 C ATOM 0 H THR A 9 -5.032 11.130 0.867 1.00 0.00 H new ATOM 0 HA THR A 9 -7.691 11.757 2.114 1.00 0.00 H new ATOM 0 HB THR A 9 -5.453 13.675 1.323 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.083 13.765 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.744 15.267 2.710 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.733 14.633 1.373 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.962 14.008 3.023 1.00 0.00 H new ATOM 136 N ALA A 10 -7.273 11.427 -0.847 1.00 0.00 N ATOM 137 CA ALA A 10 -7.771 11.669 -2.233 1.00 0.00 C ATOM 138 C ALA A 10 -9.293 11.521 -2.257 1.00 0.00 C ATOM 139 O ALA A 10 -9.843 10.612 -1.668 1.00 0.00 O ATOM 140 CB ALA A 10 -7.144 10.650 -3.189 1.00 0.00 C ATOM 0 H ALA A 10 -6.856 10.509 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.496 12.676 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.509 10.828 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.059 10.754 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.417 9.642 -2.877 1.00 0.00 H new ATOM 146 N ASP A 11 -9.971 12.414 -2.934 1.00 0.00 N ATOM 147 CA ASP A 11 -11.462 12.344 -3.011 1.00 0.00 C ATOM 148 C ASP A 11 -11.878 11.166 -3.895 1.00 0.00 C ATOM 149 O ASP A 11 -12.108 11.316 -5.079 1.00 0.00 O ATOM 150 CB ASP A 11 -12.012 13.650 -3.604 1.00 0.00 C ATOM 151 CG ASP A 11 -11.270 14.011 -4.900 1.00 0.00 C ATOM 152 OD1 ASP A 11 -10.510 13.188 -5.389 1.00 0.00 O ATOM 153 OD2 ASP A 11 -11.476 15.112 -5.383 1.00 0.00 O ATOM 0 H ASP A 11 -9.552 13.194 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.866 12.204 -2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.078 13.543 -3.807 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.905 14.458 -2.880 1.00 0.00 H new ATOM 158 N SER A 12 -11.977 9.990 -3.324 1.00 0.00 N ATOM 159 CA SER A 12 -12.377 8.780 -4.110 1.00 0.00 C ATOM 160 C SER A 12 -12.153 7.543 -3.244 1.00 0.00 C ATOM 161 O SER A 12 -12.899 6.584 -3.308 1.00 0.00 O ATOM 162 CB SER A 12 -11.526 8.657 -5.381 1.00 0.00 C ATOM 163 OG SER A 12 -10.238 9.207 -5.139 1.00 0.00 O ATOM 0 H SER A 12 -11.796 9.815 -2.336 1.00 0.00 H new ATOM 0 HA SER A 12 -13.425 8.869 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.438 7.611 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.008 9.180 -6.207 1.00 0.00 H new ATOM 0 HG SER A 12 -9.691 9.129 -5.949 1.00 0.00 H new ATOM 169 N GLY A 13 -11.123 7.561 -2.434 1.00 0.00 N ATOM 170 CA GLY A 13 -10.834 6.394 -1.558 1.00 0.00 C ATOM 171 C GLY A 13 -9.873 5.450 -2.279 1.00 0.00 C ATOM 172 O GLY A 13 -9.333 5.778 -3.319 1.00 0.00 O ATOM 0 H GLY A 13 -10.470 8.339 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.396 6.729 -0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.758 5.872 -1.311 1.00 0.00 H new ATOM 176 N ILE A 14 -9.652 4.282 -1.733 1.00 0.00 N ATOM 177 CA ILE A 14 -8.723 3.313 -2.381 1.00 0.00 C ATOM 178 C ILE A 14 -9.532 2.303 -3.197 1.00 0.00 C ATOM 179 O ILE A 14 -10.470 1.702 -2.706 1.00 0.00 O ATOM 180 CB ILE A 14 -7.916 2.589 -1.304 1.00 0.00 C ATOM 181 CG1 ILE A 14 -7.220 3.629 -0.418 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.864 1.695 -1.965 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.707 2.955 0.856 1.00 0.00 C ATOM 0 H ILE A 14 -10.077 3.958 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 14 -8.040 3.843 -3.045 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.581 1.973 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.391 4.086 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.915 4.429 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.289 1.179 -1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.358 0.961 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.194 2.307 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.212 3.695 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.545 2.519 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.998 2.171 0.592 1.00 0.00 H new ATOM 195 N HIS A 15 -9.179 2.123 -4.443 1.00 0.00 N ATOM 196 CA HIS A 15 -9.925 1.164 -5.312 1.00 0.00 C ATOM 197 C HIS A 15 -8.925 0.268 -6.061 1.00 0.00 C ATOM 198 O HIS A 15 -7.758 0.218 -5.720 1.00 0.00 O ATOM 199 CB HIS A 15 -10.828 1.934 -6.304 1.00 0.00 C ATOM 200 CG HIS A 15 -10.145 3.181 -6.817 1.00 0.00 C ATOM 201 ND1 HIS A 15 -9.671 4.301 -6.175 1.00 0.00 N flip ATOM 202 CD2 HIS A 15 -9.905 3.388 -8.163 1.00 0.00 C flip ATOM 203 CE1 HIS A 15 -9.146 5.188 -7.110 1.00 0.00 C flip ATOM 204 NE2 HIS A 15 -9.312 4.590 -8.291 1.00 0.00 N flip ATOM 0 H HIS A 15 -8.402 2.601 -4.899 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.565 0.534 -4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.085 1.287 -7.143 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.763 2.205 -5.813 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -9.700 4.458 -5.168 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.149 2.709 -8.966 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.700 6.153 -6.920 1.00 0.00 H new ATOM 212 N ALA A 16 -9.375 -0.463 -7.053 1.00 0.00 N ATOM 213 CA ALA A 16 -8.461 -1.382 -7.798 1.00 0.00 C ATOM 214 C ALA A 16 -7.430 -0.600 -8.627 1.00 0.00 C ATOM 215 O ALA A 16 -6.373 -1.113 -8.933 1.00 0.00 O ATOM 216 CB ALA A 16 -9.289 -2.264 -8.733 1.00 0.00 C ATOM 0 H ALA A 16 -10.341 -0.461 -7.379 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.924 -1.991 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.628 -2.937 -9.279 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.999 -2.849 -8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.832 -1.636 -9.439 1.00 0.00 H new ATOM 222 N ARG A 17 -7.722 0.622 -9.009 1.00 0.00 N ATOM 223 CA ARG A 17 -6.740 1.399 -9.835 1.00 0.00 C ATOM 224 C ARG A 17 -5.409 1.562 -9.067 1.00 0.00 C ATOM 225 O ARG A 17 -4.380 1.132 -9.553 1.00 0.00 O ATOM 226 CB ARG A 17 -7.322 2.778 -10.186 1.00 0.00 C ATOM 227 CG ARG A 17 -7.381 2.948 -11.708 1.00 0.00 C ATOM 228 CD ARG A 17 -8.471 3.957 -12.067 1.00 0.00 C ATOM 229 NE ARG A 17 -8.235 4.475 -13.445 1.00 0.00 N ATOM 230 CZ ARG A 17 -8.592 3.764 -14.479 1.00 0.00 C ATOM 231 NH1 ARG A 17 -7.990 2.634 -14.734 1.00 0.00 N ATOM 232 NH2 ARG A 17 -9.553 4.182 -15.259 1.00 0.00 N ATOM 0 H ARG A 17 -8.589 1.112 -8.787 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.546 0.853 -10.758 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.321 2.880 -9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.707 3.564 -9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.417 3.290 -12.084 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.587 1.989 -12.184 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.452 3.485 -12.007 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.469 4.780 -11.352 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.795 5.385 -13.579 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.240 2.307 -14.125 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.269 2.078 -15.542 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.024 5.064 -15.060 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.832 3.626 -16.067 1.00 0.00 H new ATOM 246 N PRO A 18 -5.445 2.168 -7.891 1.00 0.00 N ATOM 247 CA PRO A 18 -4.221 2.359 -7.088 1.00 0.00 C ATOM 248 C PRO A 18 -3.748 1.030 -6.487 1.00 0.00 C ATOM 249 O PRO A 18 -2.601 0.893 -6.104 1.00 0.00 O ATOM 250 CB PRO A 18 -4.647 3.344 -5.995 1.00 0.00 C ATOM 251 CG PRO A 18 -6.183 3.234 -5.887 1.00 0.00 C ATOM 252 CD PRO A 18 -6.673 2.701 -7.246 1.00 0.00 C ATOM 0 HA PRO A 18 -3.382 2.730 -7.678 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.172 3.100 -5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.347 4.361 -6.249 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.469 2.561 -5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.628 4.204 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.427 1.924 -7.121 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.126 3.491 -7.844 1.00 0.00 H new ATOM 260 N ALA A 19 -4.616 0.050 -6.406 1.00 0.00 N ATOM 261 CA ALA A 19 -4.209 -1.270 -5.837 1.00 0.00 C ATOM 262 C ALA A 19 -3.352 -2.026 -6.856 1.00 0.00 C ATOM 263 O ALA A 19 -2.524 -2.840 -6.495 1.00 0.00 O ATOM 264 CB ALA A 19 -5.457 -2.092 -5.510 1.00 0.00 C ATOM 0 H ALA A 19 -5.588 0.109 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.631 -1.109 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.160 -3.055 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.066 -1.555 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.036 -2.252 -6.420 1.00 0.00 H new ATOM 270 N THR A 20 -3.540 -1.759 -8.127 1.00 0.00 N ATOM 271 CA THR A 20 -2.733 -2.458 -9.170 1.00 0.00 C ATOM 272 C THR A 20 -1.383 -1.744 -9.311 1.00 0.00 C ATOM 273 O THR A 20 -0.375 -2.360 -9.602 1.00 0.00 O ATOM 274 CB THR A 20 -3.490 -2.432 -10.509 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.726 -3.125 -10.370 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.655 -3.115 -11.597 1.00 0.00 C ATOM 0 H THR A 20 -4.218 -1.086 -8.484 1.00 0.00 H new ATOM 0 HA THR A 20 -2.566 -3.496 -8.882 1.00 0.00 H new ATOM 0 HB THR A 20 -3.675 -1.395 -10.791 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.374 -2.549 -9.913 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.199 -3.092 -12.541 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.707 -2.590 -11.711 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.464 -4.150 -11.313 1.00 0.00 H new ATOM 284 N VAL A 21 -1.361 -0.451 -9.103 1.00 0.00 N ATOM 285 CA VAL A 21 -0.078 0.304 -9.216 1.00 0.00 C ATOM 286 C VAL A 21 0.798 -0.014 -8.000 1.00 0.00 C ATOM 287 O VAL A 21 2.011 -0.049 -8.089 1.00 0.00 O ATOM 288 CB VAL A 21 -0.370 1.807 -9.260 1.00 0.00 C ATOM 289 CG1 VAL A 21 0.934 2.578 -9.484 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.337 2.108 -10.408 1.00 0.00 C ATOM 0 H VAL A 21 -2.176 0.113 -8.860 1.00 0.00 H new ATOM 0 HA VAL A 21 0.441 0.013 -10.129 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.817 2.113 -8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.724 3.647 -9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.626 2.368 -8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.382 2.269 -10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.544 3.178 -10.438 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.889 1.798 -11.352 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.268 1.563 -10.252 1.00 0.00 H new ATOM 300 N LEU A 22 0.186 -0.244 -6.866 1.00 0.00 N ATOM 301 CA LEU A 22 0.966 -0.559 -5.634 1.00 0.00 C ATOM 302 C LEU A 22 1.474 -2.002 -5.701 1.00 0.00 C ATOM 303 O LEU A 22 2.625 -2.273 -5.419 1.00 0.00 O ATOM 304 CB LEU A 22 0.067 -0.392 -4.407 1.00 0.00 C ATOM 305 CG LEU A 22 0.101 1.064 -3.941 1.00 0.00 C ATOM 306 CD1 LEU A 22 -0.935 1.270 -2.835 1.00 0.00 C ATOM 307 CD2 LEU A 22 1.495 1.394 -3.402 1.00 0.00 C ATOM 0 H LEU A 22 -0.826 -0.227 -6.742 1.00 0.00 H new ATOM 0 HA LEU A 22 1.816 0.120 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.955 -0.683 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.403 -1.049 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.129 1.720 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.911 2.308 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.928 1.035 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.706 0.615 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.520 2.432 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.725 0.738 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.234 1.247 -4.190 1.00 0.00 H new ATOM 319 N VAL A 23 0.622 -2.926 -6.066 1.00 0.00 N ATOM 320 CA VAL A 23 1.047 -4.356 -6.148 1.00 0.00 C ATOM 321 C VAL A 23 2.153 -4.506 -7.200 1.00 0.00 C ATOM 322 O VAL A 23 3.009 -5.364 -7.095 1.00 0.00 O ATOM 323 CB VAL A 23 -0.165 -5.225 -6.529 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.703 -4.799 -7.898 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.243 -6.707 -6.569 1.00 0.00 C ATOM 0 H VAL A 23 -0.352 -2.751 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 23 1.433 -4.680 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.946 -5.090 -5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.561 -5.418 -8.161 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.009 -3.753 -7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.077 -4.921 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.620 -7.315 -6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.032 -6.847 -7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.608 -7.011 -5.588 1.00 0.00 H new ATOM 335 N GLN A 24 2.132 -3.681 -8.214 1.00 0.00 N ATOM 336 CA GLN A 24 3.170 -3.768 -9.285 1.00 0.00 C ATOM 337 C GLN A 24 4.548 -3.446 -8.700 1.00 0.00 C ATOM 338 O GLN A 24 5.476 -4.224 -8.819 1.00 0.00 O ATOM 339 CB GLN A 24 2.843 -2.764 -10.393 1.00 0.00 C ATOM 340 CG GLN A 24 1.719 -3.318 -11.272 1.00 0.00 C ATOM 341 CD GLN A 24 2.322 -4.030 -12.485 1.00 0.00 C ATOM 342 OE1 GLN A 24 2.146 -5.221 -12.655 1.00 0.00 O ATOM 343 NE2 GLN A 24 3.031 -3.347 -13.342 1.00 0.00 N ATOM 0 H GLN A 24 1.437 -2.947 -8.347 1.00 0.00 H new ATOM 0 HA GLN A 24 3.179 -4.778 -9.695 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.542 -1.811 -9.957 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.730 -2.572 -10.997 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.103 -4.011 -10.699 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.067 -2.508 -11.600 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.179 -2.348 -13.200 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.437 -3.812 -14.154 1.00 0.00 H new ATOM 352 N THR A 25 4.687 -2.303 -8.078 1.00 0.00 N ATOM 353 CA THR A 25 6.005 -1.918 -7.490 1.00 0.00 C ATOM 354 C THR A 25 6.416 -2.933 -6.419 1.00 0.00 C ATOM 355 O THR A 25 7.589 -3.164 -6.190 1.00 0.00 O ATOM 356 CB THR A 25 5.891 -0.529 -6.856 1.00 0.00 C ATOM 357 OG1 THR A 25 5.386 0.387 -7.819 1.00 0.00 O ATOM 358 CG2 THR A 25 7.268 -0.064 -6.381 1.00 0.00 C ATOM 0 H THR A 25 3.942 -1.618 -7.952 1.00 0.00 H new ATOM 0 HA THR A 25 6.758 -1.904 -8.278 1.00 0.00 H new ATOM 0 HB THR A 25 5.214 -0.574 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.855 1.243 -7.734 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.183 0.925 -5.930 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.655 -0.767 -5.643 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.950 -0.018 -7.230 1.00 0.00 H new ATOM 366 N ALA A 26 5.460 -3.531 -5.758 1.00 0.00 N ATOM 367 CA ALA A 26 5.782 -4.527 -4.694 1.00 0.00 C ATOM 368 C ALA A 26 6.272 -5.834 -5.325 1.00 0.00 C ATOM 369 O ALA A 26 7.021 -6.579 -4.720 1.00 0.00 O ATOM 370 CB ALA A 26 4.527 -4.803 -3.867 1.00 0.00 C ATOM 0 H ALA A 26 4.464 -3.371 -5.910 1.00 0.00 H new ATOM 0 HA ALA A 26 6.568 -4.125 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.757 -5.530 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.183 -3.876 -3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.745 -5.200 -4.514 1.00 0.00 H new ATOM 376 N SER A 27 5.849 -6.120 -6.529 1.00 0.00 N ATOM 377 CA SER A 27 6.280 -7.383 -7.199 1.00 0.00 C ATOM 378 C SER A 27 7.788 -7.348 -7.463 1.00 0.00 C ATOM 379 O SER A 27 8.434 -8.377 -7.533 1.00 0.00 O ATOM 380 CB SER A 27 5.535 -7.534 -8.527 1.00 0.00 C ATOM 381 OG SER A 27 4.193 -7.923 -8.270 1.00 0.00 O ATOM 0 H SER A 27 5.222 -5.532 -7.078 1.00 0.00 H new ATOM 0 HA SER A 27 6.050 -8.228 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.554 -6.593 -9.077 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.029 -8.279 -9.152 1.00 0.00 H new ATOM 0 HG SER A 27 3.703 -7.169 -7.881 1.00 0.00 H new ATOM 387 N LYS A 28 8.351 -6.177 -7.613 1.00 0.00 N ATOM 388 CA LYS A 28 9.816 -6.073 -7.878 1.00 0.00 C ATOM 389 C LYS A 28 10.607 -6.471 -6.628 1.00 0.00 C ATOM 390 O LYS A 28 11.757 -6.863 -6.716 1.00 0.00 O ATOM 391 CB LYS A 28 10.163 -4.632 -8.264 1.00 0.00 C ATOM 392 CG LYS A 28 9.551 -4.305 -9.631 1.00 0.00 C ATOM 393 CD LYS A 28 10.523 -3.440 -10.440 1.00 0.00 C ATOM 394 CE LYS A 28 10.498 -3.874 -11.908 1.00 0.00 C ATOM 395 NZ LYS A 28 11.111 -2.810 -12.753 1.00 0.00 N ATOM 0 H LYS A 28 7.857 -5.286 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 28 10.079 -6.746 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.785 -3.942 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.245 -4.504 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.332 -5.226 -10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.605 -3.780 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.246 -2.389 -10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.532 -3.537 -10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.044 -4.810 -12.031 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.472 -4.059 -12.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.094 -3.105 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.572 -1.927 -12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.095 -2.654 -12.455 1.00 0.00 H new ATOM 409 N TYR A 29 10.008 -6.371 -5.465 1.00 0.00 N ATOM 410 CA TYR A 29 10.733 -6.742 -4.213 1.00 0.00 C ATOM 411 C TYR A 29 10.185 -8.061 -3.667 1.00 0.00 C ATOM 412 O TYR A 29 8.988 -8.248 -3.552 1.00 0.00 O ATOM 413 CB TYR A 29 10.543 -5.636 -3.172 1.00 0.00 C ATOM 414 CG TYR A 29 10.999 -4.322 -3.757 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.131 -3.577 -4.562 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.293 -3.853 -3.502 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.554 -2.364 -5.114 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.718 -2.638 -4.052 1.00 0.00 C ATOM 419 CZ TYR A 29 11.850 -1.892 -4.859 1.00 0.00 C ATOM 420 OH TYR A 29 12.275 -0.696 -5.405 1.00 0.00 O ATOM 0 H TYR A 29 9.050 -6.049 -5.331 1.00 0.00 H new ATOM 0 HA TYR A 29 11.794 -6.861 -4.431 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.495 -5.573 -2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.114 -5.865 -2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.133 -3.939 -4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.963 -4.429 -2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.883 -1.791 -5.737 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.716 -2.276 -3.854 1.00 0.00 H new ATOM 0 HH TYR A 29 13.198 -0.519 -5.126 1.00 0.00 H new ATOM 430 N ASP A 30 11.058 -8.976 -3.330 1.00 0.00 N ATOM 431 CA ASP A 30 10.606 -10.291 -2.788 1.00 0.00 C ATOM 432 C ASP A 30 10.260 -10.169 -1.296 1.00 0.00 C ATOM 433 O ASP A 30 9.815 -11.122 -0.683 1.00 0.00 O ATOM 434 CB ASP A 30 11.725 -11.319 -2.962 1.00 0.00 C ATOM 435 CG ASP A 30 11.971 -11.558 -4.454 1.00 0.00 C ATOM 436 OD1 ASP A 30 12.458 -10.649 -5.106 1.00 0.00 O ATOM 437 OD2 ASP A 30 11.670 -12.646 -4.917 1.00 0.00 O ATOM 0 H ASP A 30 12.069 -8.867 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 30 9.716 -10.608 -3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.638 -10.963 -2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.453 -12.254 -2.473 1.00 0.00 H new ATOM 442 N ALA A 31 10.456 -9.012 -0.701 1.00 0.00 N ATOM 443 CA ALA A 31 10.135 -8.848 0.749 1.00 0.00 C ATOM 444 C ALA A 31 8.642 -9.090 0.974 1.00 0.00 C ATOM 445 O ALA A 31 7.917 -9.435 0.060 1.00 0.00 O ATOM 446 CB ALA A 31 10.493 -7.428 1.194 1.00 0.00 C ATOM 0 H ALA A 31 10.824 -8.178 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 31 10.711 -9.568 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.259 -7.308 2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.557 -7.255 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.918 -6.708 0.611 1.00 0.00 H new ATOM 452 N ASP A 32 8.179 -8.913 2.186 1.00 0.00 N ATOM 453 CA ASP A 32 6.733 -9.133 2.477 1.00 0.00 C ATOM 454 C ASP A 32 6.046 -7.788 2.720 1.00 0.00 C ATOM 455 O ASP A 32 6.112 -7.235 3.802 1.00 0.00 O ATOM 456 CB ASP A 32 6.589 -10.008 3.723 1.00 0.00 C ATOM 457 CG ASP A 32 6.738 -11.480 3.334 1.00 0.00 C ATOM 458 OD1 ASP A 32 7.649 -11.786 2.583 1.00 0.00 O ATOM 459 OD2 ASP A 32 5.936 -12.278 3.795 1.00 0.00 O ATOM 0 H ASP A 32 8.742 -8.625 2.986 1.00 0.00 H new ATOM 0 HA ASP A 32 6.267 -9.630 1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.345 -9.737 4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.617 -9.840 4.188 1.00 0.00 H new ATOM 464 N VAL A 33 5.383 -7.266 1.721 1.00 0.00 N ATOM 465 CA VAL A 33 4.680 -5.958 1.884 1.00 0.00 C ATOM 466 C VAL A 33 3.212 -6.215 2.236 1.00 0.00 C ATOM 467 O VAL A 33 2.455 -6.735 1.438 1.00 0.00 O ATOM 468 CB VAL A 33 4.766 -5.153 0.582 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.208 -4.685 0.367 1.00 0.00 C ATOM 470 CG2 VAL A 33 4.322 -6.023 -0.607 1.00 0.00 C ATOM 0 H VAL A 33 5.298 -7.690 0.797 1.00 0.00 H new ATOM 0 HA VAL A 33 5.154 -5.389 2.684 1.00 0.00 H new ATOM 0 HB VAL A 33 4.107 -4.287 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.271 -4.113 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.515 -4.057 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.866 -5.552 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.387 -5.442 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.971 -6.895 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.293 -6.349 -0.455 1.00 0.00 H new ATOM 480 N ASN A 34 2.809 -5.858 3.429 1.00 0.00 N ATOM 481 CA ASN A 34 1.394 -6.084 3.845 1.00 0.00 C ATOM 482 C ASN A 34 0.703 -4.740 4.078 1.00 0.00 C ATOM 483 O ASN A 34 1.342 -3.738 4.337 1.00 0.00 O ATOM 484 CB ASN A 34 1.367 -6.899 5.140 1.00 0.00 C ATOM 485 CG ASN A 34 2.153 -8.196 4.944 1.00 0.00 C ATOM 486 OD1 ASN A 34 3.321 -8.268 5.267 1.00 0.00 O ATOM 487 ND2 ASN A 34 1.555 -9.233 4.422 1.00 0.00 N ATOM 0 H ASN A 34 3.401 -5.419 4.134 1.00 0.00 H new ATOM 0 HA ASN A 34 0.871 -6.628 3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.799 -6.319 5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.338 -7.124 5.419 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.069 -10.103 4.286 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.574 -9.173 4.151 1.00 0.00 H new ATOM 494 N LEU A 35 -0.602 -4.719 3.990 1.00 0.00 N ATOM 495 CA LEU A 35 -1.356 -3.451 4.207 1.00 0.00 C ATOM 496 C LEU A 35 -2.349 -3.645 5.354 1.00 0.00 C ATOM 497 O LEU A 35 -3.145 -4.565 5.345 1.00 0.00 O ATOM 498 CB LEU A 35 -2.115 -3.086 2.931 1.00 0.00 C ATOM 499 CG LEU A 35 -2.471 -1.601 2.955 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.235 -0.772 2.602 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.576 -1.327 1.932 1.00 0.00 C ATOM 0 H LEU A 35 -1.180 -5.532 3.776 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.661 -2.649 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.505 -3.310 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.021 -3.686 2.850 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.819 -1.327 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.490 0.288 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.446 -0.967 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.886 -1.045 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.832 -0.268 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.227 -1.601 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.458 -1.917 2.182 1.00 0.00 H new ATOM 513 N GLU A 36 -2.302 -2.786 6.340 1.00 0.00 N ATOM 514 CA GLU A 36 -3.238 -2.915 7.494 1.00 0.00 C ATOM 515 C GLU A 36 -4.284 -1.801 7.432 1.00 0.00 C ATOM 516 O GLU A 36 -4.006 -0.700 6.994 1.00 0.00 O ATOM 517 CB GLU A 36 -2.450 -2.802 8.801 1.00 0.00 C ATOM 518 CG GLU A 36 -3.310 -3.305 9.962 1.00 0.00 C ATOM 519 CD GLU A 36 -2.473 -3.339 11.242 1.00 0.00 C ATOM 520 OE1 GLU A 36 -1.640 -2.463 11.403 1.00 0.00 O ATOM 521 OE2 GLU A 36 -2.679 -4.240 12.038 1.00 0.00 O ATOM 0 H GLU A 36 -1.654 -2.000 6.394 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.737 -3.883 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.532 -3.385 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.158 -1.766 8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.174 -2.654 10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.693 -4.301 9.739 1.00 0.00 H new ATOM 528 N TYR A 37 -5.484 -2.082 7.871 1.00 0.00 N ATOM 529 CA TYR A 37 -6.559 -1.049 7.846 1.00 0.00 C ATOM 530 C TYR A 37 -7.660 -1.435 8.835 1.00 0.00 C ATOM 531 O TYR A 37 -8.053 -2.578 8.913 1.00 0.00 O ATOM 532 CB TYR A 37 -7.152 -0.957 6.441 1.00 0.00 C ATOM 533 CG TYR A 37 -8.075 0.231 6.381 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.544 1.522 6.329 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.461 0.041 6.391 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.398 2.627 6.285 1.00 0.00 C ATOM 537 CE2 TYR A 37 -10.318 1.147 6.344 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.786 2.441 6.291 1.00 0.00 C ATOM 539 OH TYR A 37 -10.629 3.533 6.247 1.00 0.00 O ATOM 0 H TYR A 37 -5.765 -2.987 8.247 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.137 -0.084 8.126 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.357 -0.855 5.702 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.696 -1.870 6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.474 1.666 6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.869 -0.958 6.435 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.987 3.625 6.246 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.388 1.002 6.349 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.560 3.228 6.257 1.00 0.00 H new ATOM 549 N ASN A 38 -8.151 -0.479 9.584 1.00 0.00 N ATOM 550 CA ASN A 38 -9.227 -0.742 10.586 1.00 0.00 C ATOM 551 C ASN A 38 -8.691 -1.680 11.679 1.00 0.00 C ATOM 552 O ASN A 38 -8.228 -1.231 12.711 1.00 0.00 O ATOM 553 CB ASN A 38 -10.459 -1.345 9.888 1.00 0.00 C ATOM 554 CG ASN A 38 -11.568 -1.590 10.915 1.00 0.00 C ATOM 555 OD1 ASN A 38 -11.658 -0.892 11.906 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.421 -2.557 10.718 1.00 0.00 N ATOM 0 H ASN A 38 -7.844 0.493 9.541 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.531 0.194 11.054 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.814 -0.670 9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.190 -2.281 9.399 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.164 -2.728 11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.345 -3.142 9.886 1.00 0.00 H new ATOM 563 N GLY A 39 -8.741 -2.966 11.460 1.00 0.00 N ATOM 564 CA GLY A 39 -8.231 -3.931 12.477 1.00 0.00 C ATOM 565 C GLY A 39 -7.980 -5.279 11.812 1.00 0.00 C ATOM 566 O GLY A 39 -8.113 -6.321 12.428 1.00 0.00 O ATOM 0 H GLY A 39 -9.116 -3.393 10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.310 -3.555 12.922 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.954 -4.041 13.286 1.00 0.00 H new ATOM 570 N LYS A 40 -7.607 -5.262 10.560 1.00 0.00 N ATOM 571 CA LYS A 40 -7.331 -6.534 9.841 1.00 0.00 C ATOM 572 C LYS A 40 -6.087 -6.364 8.973 1.00 0.00 C ATOM 573 O LYS A 40 -5.854 -5.318 8.399 1.00 0.00 O ATOM 574 CB LYS A 40 -8.519 -6.902 8.956 1.00 0.00 C ATOM 575 CG LYS A 40 -9.661 -7.431 9.825 1.00 0.00 C ATOM 576 CD LYS A 40 -11.002 -7.085 9.175 1.00 0.00 C ATOM 577 CE LYS A 40 -12.144 -7.528 10.093 1.00 0.00 C ATOM 578 NZ LYS A 40 -12.500 -6.415 11.018 1.00 0.00 N ATOM 0 H LYS A 40 -7.482 -4.416 10.004 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.168 -7.329 10.569 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.851 -6.029 8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.223 -7.657 8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.571 -8.511 9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.605 -6.994 10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.064 -6.012 8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.087 -7.579 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.012 -7.813 9.499 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.846 -8.408 10.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.276 -6.716 11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.671 -6.163 11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.802 -5.587 10.465 1.00 0.00 H new ATOM 592 N THR A 41 -5.289 -7.390 8.881 1.00 0.00 N ATOM 593 CA THR A 41 -4.047 -7.314 8.057 1.00 0.00 C ATOM 594 C THR A 41 -4.180 -8.229 6.837 1.00 0.00 C ATOM 595 O THR A 41 -4.524 -9.390 6.955 1.00 0.00 O ATOM 596 CB THR A 41 -2.849 -7.759 8.898 1.00 0.00 C ATOM 597 OG1 THR A 41 -2.990 -7.260 10.221 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.561 -7.217 8.279 1.00 0.00 C ATOM 0 H THR A 41 -5.443 -8.286 9.344 1.00 0.00 H new ATOM 0 HA THR A 41 -3.898 -6.287 7.724 1.00 0.00 H new ATOM 0 HB THR A 41 -2.806 -8.848 8.924 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.224 -7.546 10.762 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.708 -7.534 8.878 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.455 -7.602 7.265 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.601 -6.128 8.252 1.00 0.00 H new ATOM 606 N VAL A 42 -3.903 -7.713 5.666 1.00 0.00 N ATOM 607 CA VAL A 42 -4.003 -8.546 4.426 1.00 0.00 C ATOM 608 C VAL A 42 -2.706 -8.390 3.629 1.00 0.00 C ATOM 609 O VAL A 42 -1.829 -7.636 4.008 1.00 0.00 O ATOM 610 CB VAL A 42 -5.190 -8.094 3.547 1.00 0.00 C ATOM 611 CG1 VAL A 42 -5.694 -9.283 2.728 1.00 0.00 C ATOM 612 CG2 VAL A 42 -6.343 -7.565 4.414 1.00 0.00 C ATOM 0 H VAL A 42 -3.611 -6.748 5.514 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.162 -9.586 4.712 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.847 -7.295 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.532 -8.968 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.890 -9.654 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.020 -10.076 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.167 -7.253 3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.684 -8.353 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.997 -6.714 5.000 1.00 0.00 H new ATOM 622 N ASN A 43 -2.578 -9.089 2.529 1.00 0.00 N ATOM 623 CA ASN A 43 -1.339 -8.973 1.708 1.00 0.00 C ATOM 624 C ASN A 43 -1.553 -7.923 0.616 1.00 0.00 C ATOM 625 O ASN A 43 -2.556 -7.926 -0.071 1.00 0.00 O ATOM 626 CB ASN A 43 -1.023 -10.324 1.062 1.00 0.00 C ATOM 627 CG ASN A 43 0.486 -10.441 0.838 1.00 0.00 C ATOM 628 OD1 ASN A 43 1.267 -9.860 1.565 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.932 -11.172 -0.147 1.00 0.00 N ATOM 0 H ASN A 43 -3.279 -9.734 2.166 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.507 -8.674 2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.371 -11.135 1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.551 -10.418 0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.936 -11.255 -0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.277 -11.660 -0.757 1.00 0.00 H new ATOM 636 N LEU A 44 -0.612 -7.026 0.451 1.00 0.00 N ATOM 637 CA LEU A 44 -0.749 -5.971 -0.599 1.00 0.00 C ATOM 638 C LEU A 44 -0.464 -6.563 -1.990 1.00 0.00 C ATOM 639 O LEU A 44 -0.593 -5.883 -2.991 1.00 0.00 O ATOM 640 CB LEU A 44 0.241 -4.835 -0.306 1.00 0.00 C ATOM 641 CG LEU A 44 -0.058 -3.623 -1.200 1.00 0.00 C ATOM 642 CD1 LEU A 44 -1.483 -3.119 -0.948 1.00 0.00 C ATOM 643 CD2 LEU A 44 0.934 -2.503 -0.878 1.00 0.00 C ATOM 0 H LEU A 44 0.247 -6.979 1.000 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.768 -5.584 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.174 -4.547 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.261 -5.179 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 44 0.037 -3.919 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.683 -2.259 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.195 -3.913 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.586 -2.826 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.726 -1.640 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.834 -2.218 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.950 -2.852 -1.063 1.00 0.00 H new ATOM 655 N LYS A 45 -0.086 -7.820 -2.070 1.00 0.00 N ATOM 656 CA LYS A 45 0.197 -8.435 -3.400 1.00 0.00 C ATOM 657 C LYS A 45 -1.108 -8.928 -4.048 1.00 0.00 C ATOM 658 O LYS A 45 -1.100 -9.393 -5.173 1.00 0.00 O ATOM 659 CB LYS A 45 1.152 -9.616 -3.217 1.00 0.00 C ATOM 660 CG LYS A 45 2.592 -9.102 -3.157 1.00 0.00 C ATOM 661 CD LYS A 45 3.496 -10.180 -2.548 1.00 0.00 C ATOM 662 CE LYS A 45 4.870 -10.150 -3.226 1.00 0.00 C ATOM 663 NZ LYS A 45 5.897 -9.698 -2.246 1.00 0.00 N ATOM 0 H LYS A 45 0.037 -8.441 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 45 0.652 -7.686 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.909 -10.156 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.040 -10.320 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.939 -8.844 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.640 -8.192 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.605 -10.013 -1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.040 -11.162 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.123 -11.141 -3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.850 -9.478 -4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.830 -9.677 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.657 -8.745 -1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.922 -10.356 -1.441 1.00 0.00 H new ATOM 677 N SER A 46 -2.227 -8.831 -3.359 1.00 0.00 N ATOM 678 CA SER A 46 -3.515 -9.294 -3.953 1.00 0.00 C ATOM 679 C SER A 46 -4.440 -8.095 -4.163 1.00 0.00 C ATOM 680 O SER A 46 -4.689 -7.327 -3.252 1.00 0.00 O ATOM 681 CB SER A 46 -4.183 -10.291 -3.009 1.00 0.00 C ATOM 682 OG SER A 46 -4.952 -11.215 -3.769 1.00 0.00 O ATOM 0 H SER A 46 -2.297 -8.452 -2.415 1.00 0.00 H new ATOM 0 HA SER A 46 -3.320 -9.775 -4.911 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.428 -10.820 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.822 -9.765 -2.299 1.00 0.00 H new ATOM 0 HG SER A 46 -5.381 -11.858 -3.166 1.00 0.00 H new ATOM 688 N ILE A 47 -4.952 -7.933 -5.355 1.00 0.00 N ATOM 689 CA ILE A 47 -5.867 -6.789 -5.636 1.00 0.00 C ATOM 690 C ILE A 47 -7.260 -7.120 -5.099 1.00 0.00 C ATOM 691 O ILE A 47 -7.949 -6.271 -4.567 1.00 0.00 O ATOM 692 CB ILE A 47 -5.943 -6.551 -7.146 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.525 -6.376 -7.710 1.00 0.00 C ATOM 694 CG2 ILE A 47 -6.766 -5.290 -7.422 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.064 -7.678 -8.373 1.00 0.00 C ATOM 0 H ILE A 47 -4.774 -8.548 -6.149 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.490 -5.889 -5.150 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.419 -7.406 -7.626 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.511 -5.563 -8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.837 -6.101 -6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.821 -5.119 -8.497 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.772 -5.418 -7.023 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.292 -4.434 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.058 -7.547 -8.771 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.061 -8.481 -7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.745 -7.934 -9.185 1.00 0.00 H new ATOM 707 N MET A 48 -7.670 -8.356 -5.229 1.00 0.00 N ATOM 708 CA MET A 48 -9.013 -8.764 -4.725 1.00 0.00 C ATOM 709 C MET A 48 -8.938 -9.045 -3.218 1.00 0.00 C ATOM 710 O MET A 48 -9.943 -9.042 -2.532 1.00 0.00 O ATOM 711 CB MET A 48 -9.467 -10.030 -5.458 1.00 0.00 C ATOM 712 CG MET A 48 -10.926 -10.331 -5.107 1.00 0.00 C ATOM 713 SD MET A 48 -10.996 -11.499 -3.724 1.00 0.00 S ATOM 714 CE MET A 48 -11.271 -12.995 -4.703 1.00 0.00 C ATOM 0 H MET A 48 -7.129 -9.102 -5.665 1.00 0.00 H new ATOM 0 HA MET A 48 -9.726 -7.960 -4.906 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.361 -9.897 -6.535 1.00 0.00 H new ATOM 0 HB3 MET A 48 -8.834 -10.872 -5.177 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.444 -9.409 -4.843 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.440 -10.748 -5.973 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.347 -13.856 -4.039 1.00 0.00 H new ATOM 0 HE2 MET A 48 -12.195 -12.893 -5.271 1.00 0.00 H new ATOM 0 HE3 MET A 48 -10.437 -13.139 -5.390 1.00 0.00 H new ATOM 724 N GLY A 49 -7.759 -9.288 -2.697 1.00 0.00 N ATOM 725 CA GLY A 49 -7.622 -9.569 -1.238 1.00 0.00 C ATOM 726 C GLY A 49 -7.760 -8.271 -0.434 1.00 0.00 C ATOM 727 O GLY A 49 -8.086 -8.296 0.738 1.00 0.00 O ATOM 0 H GLY A 49 -6.885 -9.303 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.384 -10.282 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.654 -10.028 -1.038 1.00 0.00 H new ATOM 731 N VAL A 50 -7.506 -7.138 -1.047 1.00 0.00 N ATOM 732 CA VAL A 50 -7.615 -5.842 -0.310 1.00 0.00 C ATOM 733 C VAL A 50 -8.942 -5.137 -0.641 1.00 0.00 C ATOM 734 O VAL A 50 -9.142 -3.993 -0.277 1.00 0.00 O ATOM 735 CB VAL A 50 -6.446 -4.936 -0.707 1.00 0.00 C ATOM 736 CG1 VAL A 50 -6.455 -3.673 0.159 1.00 0.00 C ATOM 737 CG2 VAL A 50 -5.127 -5.682 -0.495 1.00 0.00 C ATOM 0 H VAL A 50 -7.228 -7.057 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.586 -6.044 0.761 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.547 -4.659 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.622 -3.030 -0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.393 -3.138 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.356 -3.951 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.295 -5.037 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.031 -5.960 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.115 -6.581 -1.111 1.00 0.00 H new ATOM 747 N VAL A 51 -9.852 -5.799 -1.321 1.00 0.00 N ATOM 748 CA VAL A 51 -11.154 -5.149 -1.659 1.00 0.00 C ATOM 749 C VAL A 51 -12.172 -5.426 -0.543 1.00 0.00 C ATOM 750 O VAL A 51 -13.083 -4.651 -0.320 1.00 0.00 O ATOM 751 CB VAL A 51 -11.670 -5.693 -3.002 1.00 0.00 C ATOM 752 CG1 VAL A 51 -11.938 -7.203 -2.902 1.00 0.00 C ATOM 753 CG2 VAL A 51 -12.963 -4.964 -3.385 1.00 0.00 C ATOM 0 H VAL A 51 -9.746 -6.757 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.013 -4.072 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.912 -5.523 -3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.303 -7.572 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.014 -7.720 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.687 -7.389 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.329 -5.349 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -13.715 -5.128 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.765 -3.896 -3.478 1.00 0.00 H new ATOM 763 N SER A 52 -12.023 -6.525 0.153 1.00 0.00 N ATOM 764 CA SER A 52 -12.976 -6.859 1.253 1.00 0.00 C ATOM 765 C SER A 52 -12.908 -5.782 2.341 1.00 0.00 C ATOM 766 O SER A 52 -13.867 -5.551 3.053 1.00 0.00 O ATOM 767 CB SER A 52 -12.605 -8.215 1.853 1.00 0.00 C ATOM 768 OG SER A 52 -11.311 -8.131 2.437 1.00 0.00 O ATOM 0 H SER A 52 -11.279 -7.207 0.005 1.00 0.00 H new ATOM 0 HA SER A 52 -13.989 -6.902 0.853 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.338 -8.506 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.619 -8.984 1.080 1.00 0.00 H new ATOM 0 HG SER A 52 -11.070 -8.998 2.824 1.00 0.00 H new ATOM 774 N LEU A 53 -11.782 -5.125 2.475 1.00 0.00 N ATOM 775 CA LEU A 53 -11.646 -4.064 3.516 1.00 0.00 C ATOM 776 C LEU A 53 -12.652 -2.943 3.246 1.00 0.00 C ATOM 777 O LEU A 53 -13.190 -2.347 4.160 1.00 0.00 O ATOM 778 CB LEU A 53 -10.228 -3.494 3.476 1.00 0.00 C ATOM 779 CG LEU A 53 -9.277 -4.433 4.217 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.836 -3.961 4.018 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.615 -4.426 5.710 1.00 0.00 C ATOM 0 H LEU A 53 -10.950 -5.280 1.906 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.841 -4.495 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.903 -3.372 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.210 -2.505 3.934 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.385 -5.444 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.158 -4.631 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.595 -3.965 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.727 -2.950 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.937 -5.096 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.507 -3.415 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.642 -4.763 5.852 1.00 0.00 H new ATOM 793 N GLY A 54 -12.906 -2.651 1.995 1.00 0.00 N ATOM 794 CA GLY A 54 -13.873 -1.567 1.656 1.00 0.00 C ATOM 795 C GLY A 54 -13.320 -0.224 2.136 1.00 0.00 C ATOM 796 O GLY A 54 -13.988 0.520 2.828 1.00 0.00 O ATOM 0 H GLY A 54 -12.483 -3.119 1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.042 -1.539 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.837 -1.765 2.125 1.00 0.00 H new ATOM 800 N ILE A 55 -12.102 0.087 1.772 1.00 0.00 N ATOM 801 CA ILE A 55 -11.490 1.374 2.198 1.00 0.00 C ATOM 802 C ILE A 55 -12.052 2.508 1.341 1.00 0.00 C ATOM 803 O ILE A 55 -12.324 2.341 0.168 1.00 0.00 O ATOM 804 CB ILE A 55 -9.970 1.298 2.025 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.428 0.107 2.820 1.00 0.00 C ATOM 806 CG2 ILE A 55 -9.326 2.586 2.546 1.00 0.00 C ATOM 807 CD1 ILE A 55 -8.120 -0.377 2.194 1.00 0.00 C ATOM 0 H ILE A 55 -11.504 -0.503 1.193 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.723 1.563 3.246 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.733 1.175 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.261 0.396 3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.160 -0.701 2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.245 2.528 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.711 3.438 1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.563 2.710 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.737 -1.225 2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.301 -0.683 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.388 0.431 2.210 1.00 0.00 H new ATOM 819 N ALA A 56 -12.223 3.657 1.931 1.00 0.00 N ATOM 820 CA ALA A 56 -12.768 4.824 1.177 1.00 0.00 C ATOM 821 C ALA A 56 -11.872 6.044 1.410 1.00 0.00 C ATOM 822 O ALA A 56 -10.804 5.938 1.984 1.00 0.00 O ATOM 823 CB ALA A 56 -14.187 5.126 1.666 1.00 0.00 C ATOM 0 H ALA A 56 -12.007 3.841 2.911 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.793 4.593 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.587 5.978 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.822 4.256 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.163 5.359 2.730 1.00 0.00 H new ATOM 829 N LYS A 57 -12.298 7.200 0.964 1.00 0.00 N ATOM 830 CA LYS A 57 -11.478 8.437 1.151 1.00 0.00 C ATOM 831 C LYS A 57 -11.221 8.676 2.642 1.00 0.00 C ATOM 832 O LYS A 57 -11.989 8.258 3.488 1.00 0.00 O ATOM 833 CB LYS A 57 -12.224 9.638 0.560 1.00 0.00 C ATOM 834 CG LYS A 57 -13.599 9.778 1.225 1.00 0.00 C ATOM 835 CD LYS A 57 -14.378 10.915 0.560 1.00 0.00 C ATOM 836 CE LYS A 57 -15.794 10.969 1.136 1.00 0.00 C ATOM 837 NZ LYS A 57 -16.751 11.366 0.065 1.00 0.00 N ATOM 0 H LYS A 57 -13.183 7.341 0.476 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.523 8.313 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.643 10.548 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.342 9.510 -0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.153 8.844 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.480 9.979 2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.870 11.865 0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.418 10.760 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.070 9.996 1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.836 11.682 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.714 11.403 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.491 12.303 -0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.717 10.669 -0.706 1.00 0.00 H new ATOM 851 N GLY A 58 -10.143 9.346 2.965 1.00 0.00 N ATOM 852 CA GLY A 58 -9.824 9.620 4.398 1.00 0.00 C ATOM 853 C GLY A 58 -9.594 8.297 5.129 1.00 0.00 C ATOM 854 O GLY A 58 -10.191 8.034 6.157 1.00 0.00 O ATOM 0 H GLY A 58 -9.469 9.716 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.936 10.248 4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.641 10.169 4.865 1.00 0.00 H new ATOM 858 N ALA A 59 -8.737 7.460 4.600 1.00 0.00 N ATOM 859 CA ALA A 59 -8.467 6.146 5.252 1.00 0.00 C ATOM 860 C ALA A 59 -6.996 6.070 5.670 1.00 0.00 C ATOM 861 O ALA A 59 -6.111 6.453 4.930 1.00 0.00 O ATOM 862 CB ALA A 59 -8.780 5.020 4.265 1.00 0.00 C ATOM 0 H ALA A 59 -8.212 7.632 3.742 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.095 6.042 6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.584 4.057 4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.829 5.074 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.151 5.125 3.381 1.00 0.00 H new ATOM 868 N GLU A 60 -6.734 5.574 6.854 1.00 0.00 N ATOM 869 CA GLU A 60 -5.324 5.465 7.332 1.00 0.00 C ATOM 870 C GLU A 60 -4.847 4.018 7.180 1.00 0.00 C ATOM 871 O GLU A 60 -5.445 3.100 7.710 1.00 0.00 O ATOM 872 CB GLU A 60 -5.251 5.874 8.804 1.00 0.00 C ATOM 873 CG GLU A 60 -5.718 7.326 8.955 1.00 0.00 C ATOM 874 CD GLU A 60 -6.473 7.487 10.276 1.00 0.00 C ATOM 875 OE1 GLU A 60 -7.404 6.730 10.499 1.00 0.00 O ATOM 876 OE2 GLU A 60 -6.108 8.365 11.040 1.00 0.00 O ATOM 0 H GLU A 60 -7.439 5.239 7.511 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.687 6.123 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.876 5.215 9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.230 5.769 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.861 7.999 8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.363 7.600 8.120 1.00 0.00 H new ATOM 883 N ILE A 61 -3.777 3.809 6.456 1.00 0.00 N ATOM 884 CA ILE A 61 -3.256 2.424 6.260 1.00 0.00 C ATOM 885 C ILE A 61 -1.836 2.322 6.823 1.00 0.00 C ATOM 886 O ILE A 61 -1.112 3.297 6.884 1.00 0.00 O ATOM 887 CB ILE A 61 -3.233 2.094 4.766 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.458 3.182 4.016 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.666 2.031 4.234 1.00 0.00 C ATOM 890 CD1 ILE A 61 -2.299 2.779 2.549 1.00 0.00 C ATOM 0 H ILE A 61 -3.240 4.541 5.991 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.904 1.719 6.781 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.747 1.130 4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.985 4.133 4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.479 3.326 4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.649 1.796 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.219 1.258 4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.153 2.994 4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.748 3.554 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.753 1.838 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.283 2.658 2.096 1.00 0.00 H new ATOM 902 N THR A 62 -1.437 1.144 7.229 1.00 0.00 N ATOM 903 CA THR A 62 -0.065 0.960 7.786 1.00 0.00 C ATOM 904 C THR A 62 0.685 -0.073 6.943 1.00 0.00 C ATOM 905 O THR A 62 0.340 -1.240 6.925 1.00 0.00 O ATOM 906 CB THR A 62 -0.160 0.466 9.231 1.00 0.00 C ATOM 907 OG1 THR A 62 -1.264 1.091 9.872 1.00 0.00 O ATOM 908 CG2 THR A 62 1.129 0.813 9.977 1.00 0.00 C ATOM 0 H THR A 62 -2.006 0.298 7.198 1.00 0.00 H new ATOM 0 HA THR A 62 0.469 1.910 7.764 1.00 0.00 H new ATOM 0 HB THR A 62 -0.300 -0.615 9.237 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.327 0.774 10.797 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.060 0.461 11.006 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.975 0.333 9.485 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.272 1.894 9.972 1.00 0.00 H new ATOM 916 N ILE A 63 1.706 0.349 6.240 1.00 0.00 N ATOM 917 CA ILE A 63 2.480 -0.603 5.389 1.00 0.00 C ATOM 918 C ILE A 63 3.661 -1.162 6.191 1.00 0.00 C ATOM 919 O ILE A 63 4.338 -0.444 6.899 1.00 0.00 O ATOM 920 CB ILE A 63 2.992 0.137 4.146 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.797 0.686 3.360 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.787 -0.822 3.253 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.164 2.034 2.735 1.00 0.00 C ATOM 0 H ILE A 63 2.037 1.314 6.219 1.00 0.00 H new ATOM 0 HA ILE A 63 1.840 -1.429 5.079 1.00 0.00 H new ATOM 0 HB ILE A 63 3.641 0.955 4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.507 -0.019 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.938 0.803 4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.146 -0.287 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.637 -1.217 3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.144 -1.645 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.311 2.421 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.432 2.739 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.010 1.904 2.060 1.00 0.00 H new ATOM 935 N SER A 64 3.906 -2.444 6.079 1.00 0.00 N ATOM 936 CA SER A 64 5.038 -3.065 6.828 1.00 0.00 C ATOM 937 C SER A 64 5.831 -3.972 5.887 1.00 0.00 C ATOM 938 O SER A 64 5.267 -4.757 5.148 1.00 0.00 O ATOM 939 CB SER A 64 4.485 -3.891 7.989 1.00 0.00 C ATOM 940 OG SER A 64 3.864 -5.063 7.476 1.00 0.00 O ATOM 0 H SER A 64 3.368 -3.088 5.499 1.00 0.00 H new ATOM 0 HA SER A 64 5.692 -2.285 7.217 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.289 -4.161 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.765 -3.303 8.558 1.00 0.00 H new ATOM 0 HG SER A 64 4.090 -5.165 6.528 1.00 0.00 H new ATOM 946 N ALA A 65 7.136 -3.871 5.910 1.00 0.00 N ATOM 947 CA ALA A 65 7.974 -4.725 5.018 1.00 0.00 C ATOM 948 C ALA A 65 8.853 -5.644 5.869 1.00 0.00 C ATOM 949 O ALA A 65 9.464 -5.216 6.830 1.00 0.00 O ATOM 950 CB ALA A 65 8.861 -3.835 4.147 1.00 0.00 C ATOM 0 H ALA A 65 7.657 -3.232 6.510 1.00 0.00 H new ATOM 0 HA ALA A 65 7.327 -5.329 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.473 -4.458 3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.235 -3.180 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.507 -3.231 4.784 1.00 0.00 H new ATOM 956 N SER A 66 8.919 -6.904 5.521 1.00 0.00 N ATOM 957 CA SER A 66 9.755 -7.861 6.302 1.00 0.00 C ATOM 958 C SER A 66 10.344 -8.911 5.358 1.00 0.00 C ATOM 959 O SER A 66 9.660 -9.821 4.926 1.00 0.00 O ATOM 960 CB SER A 66 8.889 -8.551 7.355 1.00 0.00 C ATOM 961 OG SER A 66 8.403 -7.581 8.275 1.00 0.00 O ATOM 0 H SER A 66 8.427 -7.311 4.726 1.00 0.00 H new ATOM 0 HA SER A 66 10.564 -7.320 6.794 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.055 -9.065 6.877 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.470 -9.308 7.881 1.00 0.00 H new ATOM 0 HG SER A 66 7.846 -8.021 8.950 1.00 0.00 H new ATOM 967 N GLY A 67 11.607 -8.789 5.037 1.00 0.00 N ATOM 968 CA GLY A 67 12.251 -9.776 4.121 1.00 0.00 C ATOM 969 C GLY A 67 13.688 -9.341 3.829 1.00 0.00 C ATOM 970 O GLY A 67 14.381 -8.840 4.695 1.00 0.00 O ATOM 0 H GLY A 67 12.221 -8.046 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.245 -10.767 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.686 -9.848 3.192 1.00 0.00 H new ATOM 974 N ALA A 68 14.137 -9.530 2.615 1.00 0.00 N ATOM 975 CA ALA A 68 15.530 -9.131 2.256 1.00 0.00 C ATOM 976 C ALA A 68 15.548 -7.657 1.845 1.00 0.00 C ATOM 977 O ALA A 68 16.211 -6.843 2.458 1.00 0.00 O ATOM 978 CB ALA A 68 16.023 -9.992 1.091 1.00 0.00 C ATOM 0 H ALA A 68 13.597 -9.945 1.855 1.00 0.00 H new ATOM 0 HA ALA A 68 16.183 -9.276 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.040 -9.701 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.010 -11.042 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.371 -9.847 0.230 1.00 0.00 H new ATOM 984 N ASP A 69 14.820 -7.313 0.812 1.00 0.00 N ATOM 985 CA ASP A 69 14.786 -5.892 0.356 1.00 0.00 C ATOM 986 C ASP A 69 13.551 -5.200 0.938 1.00 0.00 C ATOM 987 O ASP A 69 12.875 -4.443 0.265 1.00 0.00 O ATOM 988 CB ASP A 69 14.736 -5.841 -1.176 1.00 0.00 C ATOM 989 CG ASP A 69 13.608 -6.738 -1.697 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.628 -6.906 -0.989 1.00 0.00 O ATOM 991 OD2 ASP A 69 13.745 -7.245 -2.799 1.00 0.00 O ATOM 0 H ASP A 69 14.248 -7.956 0.265 1.00 0.00 H new ATOM 0 HA ASP A 69 15.684 -5.379 0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.578 -4.815 -1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.690 -6.167 -1.590 1.00 0.00 H new ATOM 996 N GLU A 70 13.253 -5.458 2.185 1.00 0.00 N ATOM 997 CA GLU A 70 12.062 -4.825 2.825 1.00 0.00 C ATOM 998 C GLU A 70 12.282 -3.314 2.954 1.00 0.00 C ATOM 999 O GLU A 70 11.339 -2.547 2.998 1.00 0.00 O ATOM 1000 CB GLU A 70 11.847 -5.431 4.216 1.00 0.00 C ATOM 1001 CG GLU A 70 13.149 -5.357 5.027 1.00 0.00 C ATOM 1002 CD GLU A 70 12.866 -4.768 6.412 1.00 0.00 C ATOM 1003 OE1 GLU A 70 11.967 -5.261 7.071 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.555 -3.834 6.787 1.00 0.00 O ATOM 0 H GLU A 70 13.786 -6.083 2.790 1.00 0.00 H new ATOM 0 HA GLU A 70 11.183 -5.008 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.053 -4.895 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.524 -6.468 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.583 -6.352 5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.880 -4.742 4.503 1.00 0.00 H new ATOM 1011 N ASN A 71 13.518 -2.881 3.018 1.00 0.00 N ATOM 1012 CA ASN A 71 13.798 -1.421 3.146 1.00 0.00 C ATOM 1013 C ASN A 71 13.591 -0.737 1.793 1.00 0.00 C ATOM 1014 O ASN A 71 13.033 0.338 1.714 1.00 0.00 O ATOM 1015 CB ASN A 71 15.244 -1.215 3.602 1.00 0.00 C ATOM 1016 CG ASN A 71 15.297 -1.177 5.130 1.00 0.00 C ATOM 1017 OD1 ASN A 71 15.878 -2.045 5.751 1.00 0.00 O ATOM 1018 ND2 ASN A 71 14.710 -0.200 5.766 1.00 0.00 N ATOM 0 H ASN A 71 14.344 -3.478 2.987 1.00 0.00 H new ATOM 0 HA ASN A 71 13.119 -0.988 3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.873 -2.021 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.637 -0.285 3.191 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.739 -0.165 6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.223 0.528 5.244 1.00 0.00 H new ATOM 1025 N ASP A 72 14.041 -1.355 0.732 1.00 0.00 N ATOM 1026 CA ASP A 72 13.879 -0.746 -0.622 1.00 0.00 C ATOM 1027 C ASP A 72 12.409 -0.798 -1.059 1.00 0.00 C ATOM 1028 O ASP A 72 11.999 -0.073 -1.945 1.00 0.00 O ATOM 1029 CB ASP A 72 14.733 -1.522 -1.627 1.00 0.00 C ATOM 1030 CG ASP A 72 16.182 -1.565 -1.140 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.712 -0.511 -0.825 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.738 -2.649 -1.091 1.00 0.00 O ATOM 0 H ASP A 72 14.515 -2.258 0.745 1.00 0.00 H new ATOM 0 HA ASP A 72 14.199 0.295 -0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.347 -2.535 -1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.682 -1.047 -2.607 1.00 0.00 H new ATOM 1037 N ALA A 73 11.618 -1.655 -0.459 1.00 0.00 N ATOM 1038 CA ALA A 73 10.182 -1.761 -0.856 1.00 0.00 C ATOM 1039 C ALA A 73 9.355 -0.650 -0.197 1.00 0.00 C ATOM 1040 O ALA A 73 8.502 -0.052 -0.827 1.00 0.00 O ATOM 1041 CB ALA A 73 9.639 -3.123 -0.420 1.00 0.00 C ATOM 0 H ALA A 73 11.907 -2.285 0.289 1.00 0.00 H new ATOM 0 HA ALA A 73 10.108 -1.656 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.591 -3.206 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.211 -3.915 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.727 -3.220 0.662 1.00 0.00 H new ATOM 1047 N LEU A 74 9.579 -0.385 1.067 1.00 0.00 N ATOM 1048 CA LEU A 74 8.781 0.671 1.765 1.00 0.00 C ATOM 1049 C LEU A 74 9.171 2.068 1.264 1.00 0.00 C ATOM 1050 O LEU A 74 8.318 2.917 1.081 1.00 0.00 O ATOM 1051 CB LEU A 74 9.000 0.582 3.282 1.00 0.00 C ATOM 1052 CG LEU A 74 10.484 0.751 3.614 1.00 0.00 C ATOM 1053 CD1 LEU A 74 10.778 2.221 3.927 1.00 0.00 C ATOM 1054 CD2 LEU A 74 10.831 -0.108 4.834 1.00 0.00 C ATOM 0 H LEU A 74 10.278 -0.853 1.644 1.00 0.00 H new ATOM 0 HA LEU A 74 7.727 0.505 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.417 1.353 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.645 -0.380 3.652 1.00 0.00 H new ATOM 0 HG LEU A 74 11.085 0.437 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.836 2.338 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.529 2.834 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.178 2.538 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.888 0.010 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.229 0.209 5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.624 -1.155 4.613 1.00 0.00 H new ATOM 1066 N ASN A 75 10.440 2.322 1.046 1.00 0.00 N ATOM 1067 CA ASN A 75 10.854 3.678 0.561 1.00 0.00 C ATOM 1068 C ASN A 75 10.548 3.814 -0.932 1.00 0.00 C ATOM 1069 O ASN A 75 10.335 4.904 -1.430 1.00 0.00 O ATOM 1070 CB ASN A 75 12.350 3.908 0.805 1.00 0.00 C ATOM 1071 CG ASN A 75 13.173 2.707 0.338 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.789 2.007 -0.575 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.306 2.446 0.931 1.00 0.00 N ATOM 0 H ASN A 75 11.201 1.656 1.181 1.00 0.00 H new ATOM 0 HA ASN A 75 10.291 4.428 1.116 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.675 4.804 0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.526 4.083 1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.870 1.652 0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.628 3.036 1.699 1.00 0.00 H new ATOM 1080 N ALA A 76 10.515 2.720 -1.645 1.00 0.00 N ATOM 1081 CA ALA A 76 10.213 2.779 -3.105 1.00 0.00 C ATOM 1082 C ALA A 76 8.705 2.960 -3.305 1.00 0.00 C ATOM 1083 O ALA A 76 8.264 3.526 -4.289 1.00 0.00 O ATOM 1084 CB ALA A 76 10.663 1.478 -3.771 1.00 0.00 C ATOM 0 H ALA A 76 10.685 1.784 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 76 10.744 3.619 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.443 1.520 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.736 1.347 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.132 0.638 -3.324 1.00 0.00 H new ATOM 1090 N LEU A 77 7.913 2.492 -2.373 1.00 0.00 N ATOM 1091 CA LEU A 77 6.433 2.640 -2.493 1.00 0.00 C ATOM 1092 C LEU A 77 6.030 4.046 -2.044 1.00 0.00 C ATOM 1093 O LEU A 77 5.019 4.574 -2.465 1.00 0.00 O ATOM 1094 CB LEU A 77 5.740 1.603 -1.607 1.00 0.00 C ATOM 1095 CG LEU A 77 5.816 0.230 -2.274 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.313 -0.838 -1.302 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.942 0.227 -3.531 1.00 0.00 C ATOM 0 H LEU A 77 8.231 2.012 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 77 6.133 2.486 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.216 1.570 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.699 1.884 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 77 6.849 0.015 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.367 -1.817 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.933 -0.835 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.280 -0.624 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.995 -0.751 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.909 0.442 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.299 0.989 -4.224 1.00 0.00 H new ATOM 1109 N GLU A 78 6.819 4.653 -1.192 1.00 0.00 N ATOM 1110 CA GLU A 78 6.502 6.024 -0.710 1.00 0.00 C ATOM 1111 C GLU A 78 6.724 7.023 -1.852 1.00 0.00 C ATOM 1112 O GLU A 78 5.935 7.926 -2.059 1.00 0.00 O ATOM 1113 CB GLU A 78 7.427 6.353 0.467 1.00 0.00 C ATOM 1114 CG GLU A 78 7.150 7.770 0.981 1.00 0.00 C ATOM 1115 CD GLU A 78 8.082 8.758 0.275 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.277 8.687 0.513 1.00 0.00 O ATOM 1117 OE2 GLU A 78 7.585 9.568 -0.490 1.00 0.00 O ATOM 0 H GLU A 78 7.675 4.250 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 78 5.463 6.084 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.276 5.632 1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.468 6.269 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.110 8.039 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.304 7.814 2.059 1.00 0.00 H new ATOM 1124 N GLU A 79 7.794 6.865 -2.590 1.00 0.00 N ATOM 1125 CA GLU A 79 8.077 7.801 -3.721 1.00 0.00 C ATOM 1126 C GLU A 79 7.074 7.558 -4.852 1.00 0.00 C ATOM 1127 O GLU A 79 6.741 8.460 -5.598 1.00 0.00 O ATOM 1128 CB GLU A 79 9.502 7.574 -4.239 1.00 0.00 C ATOM 1129 CG GLU A 79 9.726 6.084 -4.517 1.00 0.00 C ATOM 1130 CD GLU A 79 10.861 5.918 -5.530 1.00 0.00 C ATOM 1131 OE1 GLU A 79 11.874 6.577 -5.367 1.00 0.00 O ATOM 1132 OE2 GLU A 79 10.698 5.134 -6.450 1.00 0.00 O ATOM 0 H GLU A 79 8.485 6.127 -2.458 1.00 0.00 H new ATOM 0 HA GLU A 79 7.983 8.828 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.663 8.151 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.226 7.928 -3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.972 5.564 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.811 5.634 -4.903 1.00 0.00 H new ATOM 1139 N THR A 80 6.595 6.347 -4.984 1.00 0.00 N ATOM 1140 CA THR A 80 5.612 6.038 -6.066 1.00 0.00 C ATOM 1141 C THR A 80 4.224 6.546 -5.664 1.00 0.00 C ATOM 1142 O THR A 80 3.405 6.865 -6.505 1.00 0.00 O ATOM 1143 CB THR A 80 5.556 4.524 -6.282 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.870 4.030 -6.503 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.681 4.212 -7.496 1.00 0.00 C ATOM 0 H THR A 80 6.843 5.557 -4.388 1.00 0.00 H new ATOM 0 HA THR A 80 5.923 6.530 -6.988 1.00 0.00 H new ATOM 0 HB THR A 80 5.131 4.046 -5.399 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.222 3.652 -5.670 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.642 3.133 -7.649 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.673 4.591 -7.325 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.103 4.689 -8.381 1.00 0.00 H new ATOM 1153 N MET A 81 3.956 6.622 -4.384 1.00 0.00 N ATOM 1154 CA MET A 81 2.627 7.105 -3.915 1.00 0.00 C ATOM 1155 C MET A 81 2.507 8.607 -4.177 1.00 0.00 C ATOM 1156 O MET A 81 1.476 9.091 -4.603 1.00 0.00 O ATOM 1157 CB MET A 81 2.499 6.836 -2.414 1.00 0.00 C ATOM 1158 CG MET A 81 1.047 6.503 -2.077 1.00 0.00 C ATOM 1159 SD MET A 81 0.622 4.885 -2.767 1.00 0.00 S ATOM 1160 CE MET A 81 -0.921 4.648 -1.853 1.00 0.00 C ATOM 0 H MET A 81 4.607 6.368 -3.641 1.00 0.00 H new ATOM 0 HA MET A 81 1.835 6.582 -4.452 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.149 6.010 -2.125 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.823 7.709 -1.848 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.906 6.498 -0.996 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.384 7.268 -2.481 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.794 3.845 -1.126 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.181 5.570 -1.333 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.719 4.385 -2.548 1.00 0.00 H new ATOM 1170 N LYS A 82 3.557 9.344 -3.920 1.00 0.00 N ATOM 1171 CA LYS A 82 3.517 10.819 -4.146 1.00 0.00 C ATOM 1172 C LYS A 82 3.733 11.129 -5.632 1.00 0.00 C ATOM 1173 O LYS A 82 3.361 12.184 -6.110 1.00 0.00 O ATOM 1174 CB LYS A 82 4.622 11.486 -3.323 1.00 0.00 C ATOM 1175 CG LYS A 82 4.278 11.397 -1.833 1.00 0.00 C ATOM 1176 CD LYS A 82 3.611 12.697 -1.381 1.00 0.00 C ATOM 1177 CE LYS A 82 4.680 13.768 -1.158 1.00 0.00 C ATOM 1178 NZ LYS A 82 4.249 14.680 -0.060 1.00 0.00 N ATOM 0 H LYS A 82 4.443 8.986 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 82 2.544 11.202 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.578 10.998 -3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.731 12.529 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.612 10.553 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.182 11.219 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.897 13.032 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.051 12.530 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.631 13.300 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.838 14.335 -2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.976 15.408 0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.351 15.136 -0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.119 14.133 0.815 1.00 0.00 H new ATOM 1192 N SER A 83 4.334 10.223 -6.368 1.00 0.00 N ATOM 1193 CA SER A 83 4.578 10.466 -7.823 1.00 0.00 C ATOM 1194 C SER A 83 3.251 10.733 -8.542 1.00 0.00 C ATOM 1195 O SER A 83 3.210 11.416 -9.549 1.00 0.00 O ATOM 1196 CB SER A 83 5.246 9.235 -8.436 1.00 0.00 C ATOM 1197 OG SER A 83 4.303 8.172 -8.498 1.00 0.00 O ATOM 0 H SER A 83 4.666 9.323 -6.021 1.00 0.00 H new ATOM 0 HA SER A 83 5.226 11.335 -7.936 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.616 9.467 -9.435 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.107 8.938 -7.838 1.00 0.00 H new ATOM 0 HG SER A 83 3.841 8.093 -7.637 1.00 0.00 H new ATOM 1203 N GLU A 84 2.169 10.201 -8.033 1.00 0.00 N ATOM 1204 CA GLU A 84 0.843 10.421 -8.684 1.00 0.00 C ATOM 1205 C GLU A 84 -0.039 11.278 -7.775 1.00 0.00 C ATOM 1206 O GLU A 84 -0.590 12.278 -8.194 1.00 0.00 O ATOM 1207 CB GLU A 84 0.164 9.073 -8.929 1.00 0.00 C ATOM 1208 CG GLU A 84 0.606 8.515 -10.283 1.00 0.00 C ATOM 1209 CD GLU A 84 2.080 8.112 -10.213 1.00 0.00 C ATOM 1210 OE1 GLU A 84 2.358 7.048 -9.685 1.00 0.00 O ATOM 1211 OE2 GLU A 84 2.906 8.873 -10.689 1.00 0.00 O ATOM 0 H GLU A 84 2.147 9.623 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 84 0.988 10.933 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.423 8.374 -8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.919 9.191 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.005 7.653 -10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.459 9.263 -11.062 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.178 10.888 -6.533 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.024 11.669 -5.587 1.00 0.00 C ATOM 1220 C GLY A 85 -2.106 10.758 -5.005 1.00 0.00 C ATOM 1221 O GLY A 85 -3.285 11.045 -5.091 1.00 0.00 O ATOM 0 H GLY A 85 0.261 10.058 -6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.409 12.080 -4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.482 12.513 -6.103 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.710 9.658 -4.416 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.704 8.716 -3.826 1.00 0.00 C ATOM 1227 C LEU A 86 -2.849 8.995 -2.328 1.00 0.00 C ATOM 1228 O LEU A 86 -3.940 8.979 -1.790 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.223 7.278 -4.034 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.244 6.943 -5.525 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.480 5.640 -5.767 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.692 6.779 -5.990 1.00 0.00 C ATOM 0 H LEU A 86 -0.736 9.372 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.669 8.853 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.214 7.160 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.863 6.586 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.771 7.750 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.495 5.401 -6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.448 5.756 -5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.952 4.832 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.708 6.540 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.165 5.972 -5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.237 7.708 -5.819 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.755 9.250 -1.656 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.820 9.532 -0.191 1.00 0.00 C ATOM 1246 C GLY A 87 -0.607 10.367 0.225 1.00 0.00 C ATOM 1247 O GLY A 87 0.173 10.798 -0.604 1.00 0.00 O ATOM 0 H GLY A 87 -0.819 9.275 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.740 10.066 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.840 8.597 0.369 1.00 0.00 H new ATOM 1251 N GLU A 88 -0.448 10.597 1.503 1.00 0.00 N ATOM 1252 CA GLU A 88 0.712 11.404 1.985 1.00 0.00 C ATOM 1253 C GLU A 88 0.713 11.432 3.515 1.00 0.00 C ATOM 1254 O GLU A 88 -0.355 11.301 4.091 1.00 0.00 O ATOM 1255 CB GLU A 88 0.598 12.833 1.448 1.00 0.00 C ATOM 1256 CG GLU A 88 -0.768 13.414 1.823 1.00 0.00 C ATOM 1257 CD GLU A 88 -1.038 14.665 0.987 1.00 0.00 C ATOM 1258 OE1 GLU A 88 -1.644 14.548 -0.164 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -0.696 15.761 1.384 1.00 0.00 O ATOM 1260 OXT GLU A 88 1.781 11.584 4.086 1.00 0.00 O ATOM 0 H GLU A 88 -1.073 10.260 2.235 1.00 0.00 H new ATOM 0 HA GLU A 88 1.640 10.956 1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.394 13.452 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.721 12.836 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.549 12.674 1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.791 13.661 2.884 1.00 0.00 H new