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 25 THR OG1 : rot -130:sc= -0.0204 USER MOD Set 1.2: A 80 THR OG1 : rot 100:sc= 0.216 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 15 HIS :FLIP no HE2:sc= -3.9! F(o=-5,f=-3.9!) USER MOD Single : A 3 GLN : amide:sc= -0.0482 X(o=-0.048,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 74:sc= 1.03 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 34 ASN : amide:sc= -1.55 K(o=-1.5,f=-2.9!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.756 USER MOD Single : A 38 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.3!) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0937) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.239 K(o=-0.24,f=-6.5!) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc=-0.00354 (180deg=-0.0128) USER MOD Single : A 46 SER OG : rot 170:sc=0.000294 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -72:sc= 1.15 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 24:sc= 0.824! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.78 K(o=-5.8,f=-19!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= -0.0115 (180deg=-0.28) USER MOD Single : A 83 SER OG : rot -66:sc= 0.961 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 3 8.518 -0.496 9.003 1.00 0.00 N ATOM 12 CA GLN A 3 7.128 -0.197 8.545 1.00 0.00 C ATOM 13 C GLN A 3 6.911 1.318 8.529 1.00 0.00 C ATOM 14 O GLN A 3 7.817 2.085 8.798 1.00 0.00 O ATOM 15 CB GLN A 3 6.127 -0.845 9.503 1.00 0.00 C ATOM 16 CG GLN A 3 6.436 -0.407 10.937 1.00 0.00 C ATOM 17 CD GLN A 3 5.210 -0.642 11.819 1.00 0.00 C ATOM 18 OE1 GLN A 3 4.863 0.192 12.632 1.00 0.00 O ATOM 19 NE2 GLN A 3 4.535 -1.752 11.695 1.00 0.00 N ATOM 0 HA GLN A 3 6.982 -0.595 7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.111 -0.556 9.234 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.182 -1.931 9.423 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.288 -0.967 11.324 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.713 0.647 10.955 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.826 -2.452 11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.717 -1.919 12.280 1.00 0.00 H new ATOM 28 N LYS A 4 5.717 1.749 8.216 1.00 0.00 N ATOM 29 CA LYS A 4 5.428 3.213 8.179 1.00 0.00 C ATOM 30 C LYS A 4 3.915 3.434 8.094 1.00 0.00 C ATOM 31 O LYS A 4 3.153 2.507 7.893 1.00 0.00 O ATOM 32 CB LYS A 4 6.108 3.831 6.951 1.00 0.00 C ATOM 33 CG LYS A 4 7.373 4.579 7.381 1.00 0.00 C ATOM 34 CD LYS A 4 7.600 5.772 6.450 1.00 0.00 C ATOM 35 CE LYS A 4 8.328 6.880 7.211 1.00 0.00 C ATOM 36 NZ LYS A 4 7.996 8.200 6.604 1.00 0.00 N ATOM 0 H LYS A 4 4.927 1.148 7.984 1.00 0.00 H new ATOM 0 HA LYS A 4 5.810 3.685 9.084 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.362 3.051 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.423 4.515 6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.274 4.921 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.233 3.910 7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.186 5.465 5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.646 6.141 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.036 6.867 8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.405 6.712 7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.491 8.954 7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.295 8.209 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.970 8.359 6.659 1.00 0.00 H new ATOM 50 N THR A 5 3.479 4.660 8.242 1.00 0.00 N ATOM 51 CA THR A 5 2.020 4.960 8.165 1.00 0.00 C ATOM 52 C THR A 5 1.791 6.082 7.152 1.00 0.00 C ATOM 53 O THR A 5 2.320 7.169 7.289 1.00 0.00 O ATOM 54 CB THR A 5 1.514 5.403 9.541 1.00 0.00 C ATOM 55 OG1 THR A 5 1.939 4.468 10.524 1.00 0.00 O ATOM 56 CG2 THR A 5 -0.014 5.472 9.527 1.00 0.00 C ATOM 0 H THR A 5 4.076 5.469 8.414 1.00 0.00 H new ATOM 0 HA THR A 5 1.479 4.067 7.853 1.00 0.00 H new ATOM 0 HB THR A 5 1.918 6.388 9.777 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.617 4.751 11.405 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.373 5.787 10.507 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.339 6.189 8.773 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.420 4.489 9.291 1.00 0.00 H new ATOM 64 N PHE A 6 1.013 5.822 6.133 1.00 0.00 N ATOM 65 CA PHE A 6 0.750 6.867 5.100 1.00 0.00 C ATOM 66 C PHE A 6 -0.690 7.368 5.227 1.00 0.00 C ATOM 67 O PHE A 6 -1.606 6.599 5.449 1.00 0.00 O ATOM 68 CB PHE A 6 0.953 6.268 3.707 1.00 0.00 C ATOM 69 CG PHE A 6 2.404 5.890 3.527 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.925 4.774 4.193 1.00 0.00 C ATOM 71 CD2 PHE A 6 3.226 6.652 2.691 1.00 0.00 C ATOM 72 CE1 PHE A 6 4.269 4.423 4.022 1.00 0.00 C ATOM 73 CE2 PHE A 6 4.569 6.302 2.520 1.00 0.00 C ATOM 74 CZ PHE A 6 5.091 5.187 3.185 1.00 0.00 C ATOM 0 H PHE A 6 0.548 4.929 5.972 1.00 0.00 H new ATOM 0 HA PHE A 6 1.439 7.699 5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.319 5.390 3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.656 6.987 2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.290 4.185 4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.823 7.512 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.672 3.563 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.203 6.892 1.875 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.128 4.916 3.053 1.00 0.00 H new ATOM 84 N LYS A 7 -0.893 8.653 5.080 1.00 0.00 N ATOM 85 CA LYS A 7 -2.271 9.215 5.182 1.00 0.00 C ATOM 86 C LYS A 7 -2.917 9.209 3.796 1.00 0.00 C ATOM 87 O LYS A 7 -2.590 10.018 2.946 1.00 0.00 O ATOM 88 CB LYS A 7 -2.201 10.649 5.711 1.00 0.00 C ATOM 89 CG LYS A 7 -3.428 10.931 6.580 1.00 0.00 C ATOM 90 CD LYS A 7 -3.792 12.414 6.485 1.00 0.00 C ATOM 91 CE LYS A 7 -4.995 12.701 7.384 1.00 0.00 C ATOM 92 NZ LYS A 7 -4.900 14.091 7.913 1.00 0.00 N ATOM 0 H LYS A 7 -0.160 9.338 4.893 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.866 8.610 5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.290 10.790 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.161 11.353 4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.268 10.318 6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.222 10.662 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.944 13.028 6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.024 12.677 5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.920 12.577 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.025 11.988 8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.718 14.286 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.024 14.194 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.892 14.764 7.120 1.00 0.00 H new ATOM 106 N VAL A 8 -3.827 8.298 3.561 1.00 0.00 N ATOM 107 CA VAL A 8 -4.497 8.225 2.229 1.00 0.00 C ATOM 108 C VAL A 8 -5.399 9.447 2.042 1.00 0.00 C ATOM 109 O VAL A 8 -6.357 9.640 2.766 1.00 0.00 O ATOM 110 CB VAL A 8 -5.339 6.949 2.150 1.00 0.00 C ATOM 111 CG1 VAL A 8 -5.921 6.808 0.740 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.457 5.735 2.459 1.00 0.00 C ATOM 0 H VAL A 8 -4.135 7.600 4.237 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.742 8.210 1.443 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.150 7.004 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.521 5.900 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.548 7.671 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.109 6.753 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.056 4.826 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.646 5.680 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.040 5.834 3.461 1.00 0.00 H new ATOM 122 N THR A 9 -5.095 10.270 1.071 1.00 0.00 N ATOM 123 CA THR A 9 -5.925 11.484 0.820 1.00 0.00 C ATOM 124 C THR A 9 -6.517 11.428 -0.593 1.00 0.00 C ATOM 125 O THR A 9 -6.844 12.445 -1.175 1.00 0.00 O ATOM 126 CB THR A 9 -5.045 12.724 0.943 1.00 0.00 C ATOM 127 OG1 THR A 9 -4.333 12.680 2.173 1.00 0.00 O ATOM 128 CG2 THR A 9 -5.916 13.981 0.899 1.00 0.00 C ATOM 0 H THR A 9 -4.303 10.152 0.439 1.00 0.00 H new ATOM 0 HA THR A 9 -6.734 11.525 1.549 1.00 0.00 H new ATOM 0 HB THR A 9 -4.337 12.748 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.766 13.476 2.252 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.284 14.865 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.458 14.015 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.627 13.960 1.725 1.00 0.00 H new ATOM 136 N ALA A 10 -6.655 10.250 -1.148 1.00 0.00 N ATOM 137 CA ALA A 10 -7.222 10.124 -2.525 1.00 0.00 C ATOM 138 C ALA A 10 -8.649 10.678 -2.548 1.00 0.00 C ATOM 139 O ALA A 10 -9.307 10.767 -1.527 1.00 0.00 O ATOM 140 CB ALA A 10 -7.241 8.651 -2.935 1.00 0.00 C ATOM 0 H ALA A 10 -6.399 9.368 -0.705 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.604 10.689 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.654 8.558 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.225 8.257 -2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.857 8.086 -2.235 1.00 0.00 H new ATOM 146 N ASP A 11 -9.128 11.055 -3.706 1.00 0.00 N ATOM 147 CA ASP A 11 -10.509 11.611 -3.809 1.00 0.00 C ATOM 148 C ASP A 11 -11.534 10.498 -3.569 1.00 0.00 C ATOM 149 O ASP A 11 -12.619 10.742 -3.077 1.00 0.00 O ATOM 150 CB ASP A 11 -10.716 12.205 -5.205 1.00 0.00 C ATOM 151 CG ASP A 11 -10.397 11.149 -6.265 1.00 0.00 C ATOM 152 OD1 ASP A 11 -11.169 10.212 -6.391 1.00 0.00 O ATOM 153 OD2 ASP A 11 -9.387 11.295 -6.933 1.00 0.00 O ATOM 0 H ASP A 11 -8.619 11.001 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.642 12.390 -3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.745 12.547 -5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.074 13.075 -5.340 1.00 0.00 H new ATOM 158 N SER A 12 -11.197 9.280 -3.916 1.00 0.00 N ATOM 159 CA SER A 12 -12.152 8.151 -3.713 1.00 0.00 C ATOM 160 C SER A 12 -11.481 7.040 -2.902 1.00 0.00 C ATOM 161 O SER A 12 -11.825 5.879 -3.026 1.00 0.00 O ATOM 162 CB SER A 12 -12.578 7.597 -5.074 1.00 0.00 C ATOM 163 OG SER A 12 -11.477 6.927 -5.674 1.00 0.00 O ATOM 0 H SER A 12 -10.302 9.021 -4.331 1.00 0.00 H new ATOM 0 HA SER A 12 -13.026 8.513 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.415 6.909 -4.954 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.921 8.407 -5.718 1.00 0.00 H new ATOM 0 HG SER A 12 -11.747 6.570 -6.546 1.00 0.00 H new ATOM 169 N GLY A 13 -10.527 7.384 -2.071 1.00 0.00 N ATOM 170 CA GLY A 13 -9.834 6.348 -1.253 1.00 0.00 C ATOM 171 C GLY A 13 -8.925 5.515 -2.156 1.00 0.00 C ATOM 172 O GLY A 13 -8.084 6.045 -2.858 1.00 0.00 O ATOM 0 H GLY A 13 -10.200 8.339 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.248 6.822 -0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.566 5.706 -0.763 1.00 0.00 H new ATOM 176 N ILE A 14 -9.086 4.217 -2.144 1.00 0.00 N ATOM 177 CA ILE A 14 -8.230 3.349 -3.003 1.00 0.00 C ATOM 178 C ILE A 14 -9.107 2.355 -3.768 1.00 0.00 C ATOM 179 O ILE A 14 -9.900 1.636 -3.191 1.00 0.00 O ATOM 180 CB ILE A 14 -7.230 2.600 -2.120 1.00 0.00 C ATOM 181 CG1 ILE A 14 -6.435 3.615 -1.295 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.270 1.794 -2.997 1.00 0.00 C ATOM 183 CD1 ILE A 14 -5.723 2.899 -0.145 1.00 0.00 C ATOM 0 H ILE A 14 -9.773 3.722 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.687 3.962 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.765 1.921 -1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.706 4.122 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.103 4.381 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.559 1.262 -2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.836 1.076 -3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.730 2.469 -3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.158 3.624 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.461 2.413 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.043 2.149 -0.549 1.00 0.00 H new ATOM 195 N HIS A 15 -8.964 2.315 -5.068 1.00 0.00 N ATOM 196 CA HIS A 15 -9.779 1.375 -5.897 1.00 0.00 C ATOM 197 C HIS A 15 -8.834 0.449 -6.681 1.00 0.00 C ATOM 198 O HIS A 15 -7.656 0.373 -6.387 1.00 0.00 O ATOM 199 CB HIS A 15 -10.706 2.158 -6.861 1.00 0.00 C ATOM 200 CG HIS A 15 -10.069 3.449 -7.320 1.00 0.00 C ATOM 201 ND1 HIS A 15 -9.723 4.594 -6.644 1.00 0.00 N flip ATOM 202 CD2 HIS A 15 -9.734 3.676 -8.643 1.00 0.00 C flip ATOM 203 CE1 HIS A 15 -9.182 5.517 -7.533 1.00 0.00 C flip ATOM 204 NE2 HIS A 15 -9.212 4.913 -8.725 1.00 0.00 N flip ATOM 0 H HIS A 15 -8.313 2.897 -5.595 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.413 0.774 -5.245 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.938 1.538 -7.727 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.651 2.375 -6.362 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -9.844 4.744 -5.642 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.867 2.985 -9.462 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.816 6.508 -7.308 1.00 0.00 H new ATOM 212 N ALA A 16 -9.339 -0.277 -7.650 1.00 0.00 N ATOM 213 CA ALA A 16 -8.472 -1.218 -8.425 1.00 0.00 C ATOM 214 C ALA A 16 -7.409 -0.463 -9.237 1.00 0.00 C ATOM 215 O ALA A 16 -6.382 -1.022 -9.573 1.00 0.00 O ATOM 216 CB ALA A 16 -9.347 -2.035 -9.379 1.00 0.00 C ATOM 0 H ALA A 16 -10.317 -0.258 -7.938 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.960 -1.872 -7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.721 -2.723 -9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.081 -2.601 -8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.863 -1.363 -10.065 1.00 0.00 H new ATOM 222 N ARG A 17 -7.639 0.786 -9.569 1.00 0.00 N ATOM 223 CA ARG A 17 -6.625 1.540 -10.376 1.00 0.00 C ATOM 224 C ARG A 17 -5.303 1.649 -9.587 1.00 0.00 C ATOM 225 O ARG A 17 -4.290 1.158 -10.046 1.00 0.00 O ATOM 226 CB ARG A 17 -7.152 2.938 -10.717 1.00 0.00 C ATOM 227 CG ARG A 17 -7.732 2.940 -12.134 1.00 0.00 C ATOM 228 CD ARG A 17 -8.903 3.923 -12.206 1.00 0.00 C ATOM 229 NE ARG A 17 -9.943 3.387 -13.129 1.00 0.00 N ATOM 230 CZ ARG A 17 -11.166 3.219 -12.705 1.00 0.00 C ATOM 231 NH1 ARG A 17 -11.388 2.563 -11.599 1.00 0.00 N ATOM 232 NH2 ARG A 17 -12.166 3.706 -13.387 1.00 0.00 N ATOM 0 H ARG A 17 -8.476 1.312 -9.319 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.441 1.001 -11.305 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.918 3.233 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.347 3.669 -10.642 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.962 3.222 -12.853 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.067 1.938 -12.402 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.326 4.075 -11.213 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.555 4.895 -12.557 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.699 3.152 -14.091 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.606 2.182 -11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.343 2.431 -11.267 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.992 4.218 -14.252 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.122 3.575 -13.055 1.00 0.00 H new ATOM 246 N PRO A 18 -5.329 2.271 -8.417 1.00 0.00 N ATOM 247 CA PRO A 18 -4.112 2.406 -7.593 1.00 0.00 C ATOM 248 C PRO A 18 -3.724 1.057 -6.971 1.00 0.00 C ATOM 249 O PRO A 18 -2.629 0.897 -6.467 1.00 0.00 O ATOM 250 CB PRO A 18 -4.506 3.419 -6.514 1.00 0.00 C ATOM 251 CG PRO A 18 -6.046 3.384 -6.433 1.00 0.00 C ATOM 252 CD PRO A 18 -6.536 2.881 -7.802 1.00 0.00 C ATOM 0 HA PRO A 18 -3.245 2.729 -8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.060 3.159 -5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.152 4.418 -6.770 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.379 2.722 -5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.447 4.374 -6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.340 2.153 -7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.924 3.697 -8.411 1.00 0.00 H new ATOM 260 N ALA A 19 -4.608 0.084 -7.008 1.00 0.00 N ATOM 261 CA ALA A 19 -4.282 -1.251 -6.429 1.00 0.00 C ATOM 262 C ALA A 19 -3.409 -2.031 -7.414 1.00 0.00 C ATOM 263 O ALA A 19 -2.601 -2.851 -7.023 1.00 0.00 O ATOM 264 CB ALA A 19 -5.576 -2.024 -6.169 1.00 0.00 C ATOM 0 H ALA A 19 -5.540 0.162 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.744 -1.120 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.338 -3.000 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.198 -1.467 -5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.115 -2.157 -7.107 1.00 0.00 H new ATOM 270 N THR A 20 -3.566 -1.777 -8.691 1.00 0.00 N ATOM 271 CA THR A 20 -2.745 -2.494 -9.710 1.00 0.00 C ATOM 272 C THR A 20 -1.367 -1.835 -9.796 1.00 0.00 C ATOM 273 O THR A 20 -0.368 -2.495 -10.017 1.00 0.00 O ATOM 274 CB THR A 20 -3.436 -2.417 -11.075 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.775 -2.876 -10.952 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.684 -3.292 -12.079 1.00 0.00 C ATOM 0 H THR A 20 -4.230 -1.102 -9.070 1.00 0.00 H new ATOM 0 HA THR A 20 -2.636 -3.540 -9.422 1.00 0.00 H new ATOM 0 HB THR A 20 -3.436 -1.385 -11.426 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.313 -2.196 -10.495 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.176 -3.237 -13.050 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.657 -2.939 -12.172 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.682 -4.325 -11.731 1.00 0.00 H new ATOM 284 N VAL A 21 -1.305 -0.539 -9.617 1.00 0.00 N ATOM 285 CA VAL A 21 0.010 0.166 -9.679 1.00 0.00 C ATOM 286 C VAL A 21 0.782 -0.090 -8.381 1.00 0.00 C ATOM 287 O VAL A 21 1.998 -0.132 -8.369 1.00 0.00 O ATOM 288 CB VAL A 21 -0.219 1.671 -9.845 1.00 0.00 C ATOM 289 CG1 VAL A 21 1.123 2.366 -10.087 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.142 1.923 -11.041 1.00 0.00 C ATOM 0 H VAL A 21 -2.109 0.060 -9.431 1.00 0.00 H new ATOM 0 HA VAL A 21 0.582 -0.208 -10.528 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.680 2.068 -8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.962 3.437 -10.205 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.782 2.190 -9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.582 1.966 -10.991 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.303 2.995 -11.157 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.682 1.525 -11.946 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.099 1.428 -10.873 1.00 0.00 H new ATOM 300 N LEU A 22 0.079 -0.259 -7.290 1.00 0.00 N ATOM 301 CA LEU A 22 0.754 -0.510 -5.982 1.00 0.00 C ATOM 302 C LEU A 22 1.267 -1.952 -5.933 1.00 0.00 C ATOM 303 O LEU A 22 2.357 -2.212 -5.464 1.00 0.00 O ATOM 304 CB LEU A 22 -0.245 -0.288 -4.844 1.00 0.00 C ATOM 305 CG LEU A 22 -0.316 1.203 -4.512 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.558 1.478 -3.661 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.936 1.613 -3.731 1.00 0.00 C ATOM 0 H LEU A 22 -0.940 -0.234 -7.250 1.00 0.00 H new ATOM 0 HA LEU A 22 1.594 0.176 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.230 -0.654 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.059 -0.854 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.373 1.778 -5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.609 2.541 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.450 1.187 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.501 0.903 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.885 2.676 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.993 1.038 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.822 1.418 -4.335 1.00 0.00 H new ATOM 319 N VAL A 23 0.486 -2.889 -6.409 1.00 0.00 N ATOM 320 CA VAL A 23 0.921 -4.317 -6.390 1.00 0.00 C ATOM 321 C VAL A 23 2.164 -4.484 -7.275 1.00 0.00 C ATOM 322 O VAL A 23 3.018 -5.307 -7.010 1.00 0.00 O ATOM 323 CB VAL A 23 -0.222 -5.205 -6.909 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.598 -4.790 -8.332 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.213 -6.675 -6.907 1.00 0.00 C ATOM 0 H VAL A 23 -0.437 -2.725 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 23 1.168 -4.614 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.085 -5.083 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.408 -5.423 -8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.922 -3.749 -8.334 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.268 -4.901 -8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.603 -7.296 -7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.083 -6.798 -7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.469 -6.977 -5.891 1.00 0.00 H new ATOM 335 N GLN A 24 2.258 -3.713 -8.327 1.00 0.00 N ATOM 336 CA GLN A 24 3.433 -3.823 -9.239 1.00 0.00 C ATOM 337 C GLN A 24 4.705 -3.397 -8.503 1.00 0.00 C ATOM 338 O GLN A 24 5.717 -4.069 -8.558 1.00 0.00 O ATOM 339 CB GLN A 24 3.220 -2.915 -10.452 1.00 0.00 C ATOM 340 CG GLN A 24 2.408 -3.662 -11.511 1.00 0.00 C ATOM 341 CD GLN A 24 2.829 -3.191 -12.904 1.00 0.00 C ATOM 342 OE1 GLN A 24 3.082 -2.021 -13.112 1.00 0.00 O ATOM 343 NE2 GLN A 24 2.915 -4.059 -13.874 1.00 0.00 N ATOM 0 H GLN A 24 1.569 -3.010 -8.594 1.00 0.00 H new ATOM 0 HA GLN A 24 3.538 -4.857 -9.567 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.698 -2.006 -10.152 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.182 -2.609 -10.864 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.567 -4.736 -11.415 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.343 -3.483 -11.361 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.703 -5.041 -13.700 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.195 -3.755 -14.807 1.00 0.00 H new ATOM 352 N THR A 25 4.659 -2.281 -7.821 1.00 0.00 N ATOM 353 CA THR A 25 5.866 -1.797 -7.083 1.00 0.00 C ATOM 354 C THR A 25 6.276 -2.820 -6.019 1.00 0.00 C ATOM 355 O THR A 25 7.446 -3.105 -5.843 1.00 0.00 O ATOM 356 CB THR A 25 5.548 -0.461 -6.407 1.00 0.00 C ATOM 357 OG1 THR A 25 4.959 0.419 -7.354 1.00 0.00 O ATOM 358 CG2 THR A 25 6.838 0.156 -5.865 1.00 0.00 C ATOM 0 H THR A 25 3.837 -1.683 -7.743 1.00 0.00 H new ATOM 0 HA THR A 25 6.687 -1.667 -7.789 1.00 0.00 H new ATOM 0 HB THR A 25 4.853 -0.625 -5.584 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.420 1.283 -7.328 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.612 1.107 -5.384 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.288 -0.521 -5.138 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.535 0.322 -6.686 1.00 0.00 H new ATOM 366 N ALA A 26 5.325 -3.366 -5.305 1.00 0.00 N ATOM 367 CA ALA A 26 5.655 -4.365 -4.245 1.00 0.00 C ATOM 368 C ALA A 26 6.243 -5.624 -4.887 1.00 0.00 C ATOM 369 O ALA A 26 7.040 -6.320 -4.285 1.00 0.00 O ATOM 370 CB ALA A 26 4.384 -4.732 -3.476 1.00 0.00 C ATOM 0 H ALA A 26 4.331 -3.162 -5.411 1.00 0.00 H new ATOM 0 HA ALA A 26 6.385 -3.935 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.625 -5.461 -2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.967 -3.837 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.654 -5.160 -4.163 1.00 0.00 H new ATOM 376 N SER A 27 5.855 -5.921 -6.101 1.00 0.00 N ATOM 377 CA SER A 27 6.388 -7.134 -6.788 1.00 0.00 C ATOM 378 C SER A 27 7.878 -6.946 -7.083 1.00 0.00 C ATOM 379 O SER A 27 8.626 -7.904 -7.168 1.00 0.00 O ATOM 380 CB SER A 27 5.630 -7.350 -8.098 1.00 0.00 C ATOM 381 OG SER A 27 6.177 -8.472 -8.778 1.00 0.00 O ATOM 0 H SER A 27 5.190 -5.373 -6.647 1.00 0.00 H new ATOM 0 HA SER A 27 6.256 -8.003 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.571 -7.513 -7.896 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.702 -6.461 -8.724 1.00 0.00 H new ATOM 0 HG SER A 27 5.692 -8.614 -9.618 1.00 0.00 H new ATOM 387 N LYS A 28 8.315 -5.722 -7.243 1.00 0.00 N ATOM 388 CA LYS A 28 9.755 -5.466 -7.536 1.00 0.00 C ATOM 389 C LYS A 28 10.614 -5.868 -6.332 1.00 0.00 C ATOM 390 O LYS A 28 11.791 -6.147 -6.471 1.00 0.00 O ATOM 391 CB LYS A 28 9.956 -3.976 -7.825 1.00 0.00 C ATOM 392 CG LYS A 28 9.413 -3.649 -9.218 1.00 0.00 C ATOM 393 CD LYS A 28 10.526 -3.824 -10.252 1.00 0.00 C ATOM 394 CE LYS A 28 11.230 -2.484 -10.477 1.00 0.00 C ATOM 395 NZ LYS A 28 10.570 -1.759 -11.599 1.00 0.00 N ATOM 0 H LYS A 28 7.732 -4.887 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 28 10.054 -6.055 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.443 -3.376 -7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.015 -3.723 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.574 -4.303 -9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.036 -2.626 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.242 -4.570 -9.908 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.110 -4.191 -11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.191 -1.883 -9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.283 -2.648 -10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.048 -0.848 -11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.630 -2.332 -12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.571 -1.590 -11.364 1.00 0.00 H new ATOM 409 N TYR A 29 10.041 -5.895 -5.152 1.00 0.00 N ATOM 410 CA TYR A 29 10.830 -6.271 -3.941 1.00 0.00 C ATOM 411 C TYR A 29 10.362 -7.632 -3.423 1.00 0.00 C ATOM 412 O TYR A 29 9.179 -7.881 -3.288 1.00 0.00 O ATOM 413 CB TYR A 29 10.633 -5.211 -2.854 1.00 0.00 C ATOM 414 CG TYR A 29 10.954 -3.852 -3.425 1.00 0.00 C ATOM 415 CD1 TYR A 29 9.969 -3.137 -4.117 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.235 -3.311 -3.274 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.266 -1.884 -4.659 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.532 -2.056 -3.813 1.00 0.00 C ATOM 419 CZ TYR A 29 11.548 -1.341 -4.506 1.00 0.00 C ATOM 420 OH TYR A 29 11.843 -0.105 -5.045 1.00 0.00 O ATOM 0 H TYR A 29 9.061 -5.673 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 29 11.887 -6.331 -4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.606 -5.233 -2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.278 -5.422 -2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.979 -3.554 -4.232 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.995 -3.863 -2.741 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.507 -1.334 -5.196 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.521 -1.638 -3.695 1.00 0.00 H new ATOM 0 HH TYR A 29 12.775 0.124 -4.847 1.00 0.00 H new ATOM 430 N ASP A 30 11.287 -8.509 -3.133 1.00 0.00 N ATOM 431 CA ASP A 30 10.915 -9.860 -2.621 1.00 0.00 C ATOM 432 C ASP A 30 10.465 -9.771 -1.156 1.00 0.00 C ATOM 433 O ASP A 30 9.923 -10.716 -0.615 1.00 0.00 O ATOM 434 CB ASP A 30 12.126 -10.790 -2.721 1.00 0.00 C ATOM 435 CG ASP A 30 12.543 -10.930 -4.187 1.00 0.00 C ATOM 436 OD1 ASP A 30 11.962 -11.756 -4.871 1.00 0.00 O ATOM 437 OD2 ASP A 30 13.436 -10.209 -4.599 1.00 0.00 O ATOM 0 H ASP A 30 12.289 -8.346 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 30 10.093 -10.251 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.953 -10.392 -2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.882 -11.768 -2.306 1.00 0.00 H new ATOM 442 N ALA A 31 10.682 -8.647 -0.504 1.00 0.00 N ATOM 443 CA ALA A 31 10.263 -8.511 0.927 1.00 0.00 C ATOM 444 C ALA A 31 8.757 -8.760 1.050 1.00 0.00 C ATOM 445 O ALA A 31 8.014 -8.606 0.098 1.00 0.00 O ATOM 446 CB ALA A 31 10.588 -7.101 1.422 1.00 0.00 C ATOM 0 H ALA A 31 11.130 -7.822 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 31 10.800 -9.242 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.283 -7.002 2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.660 -6.925 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.052 -6.370 0.816 1.00 0.00 H new ATOM 452 N ASP A 32 8.305 -9.149 2.215 1.00 0.00 N ATOM 453 CA ASP A 32 6.851 -9.416 2.407 1.00 0.00 C ATOM 454 C ASP A 32 6.145 -8.134 2.851 1.00 0.00 C ATOM 455 O ASP A 32 6.188 -7.761 4.008 1.00 0.00 O ATOM 456 CB ASP A 32 6.669 -10.496 3.475 1.00 0.00 C ATOM 457 CG ASP A 32 7.333 -11.793 3.008 1.00 0.00 C ATOM 458 OD1 ASP A 32 6.792 -12.424 2.116 1.00 0.00 O ATOM 459 OD2 ASP A 32 8.373 -12.131 3.550 1.00 0.00 O ATOM 0 H ASP A 32 8.883 -9.293 3.043 1.00 0.00 H new ATOM 0 HA ASP A 32 6.419 -9.757 1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.109 -10.169 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.608 -10.664 3.660 1.00 0.00 H new ATOM 464 N VAL A 33 5.493 -7.464 1.936 1.00 0.00 N ATOM 465 CA VAL A 33 4.774 -6.207 2.291 1.00 0.00 C ATOM 466 C VAL A 33 3.279 -6.505 2.423 1.00 0.00 C ATOM 467 O VAL A 33 2.727 -7.288 1.673 1.00 0.00 O ATOM 468 CB VAL A 33 4.995 -5.160 1.197 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.466 -4.740 1.181 1.00 0.00 C ATOM 470 CG2 VAL A 33 4.620 -5.754 -0.164 1.00 0.00 C ATOM 0 H VAL A 33 5.428 -7.736 0.955 1.00 0.00 H new ATOM 0 HA VAL A 33 5.156 -5.821 3.236 1.00 0.00 H new ATOM 0 HB VAL A 33 4.370 -4.290 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.623 -3.994 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.734 -4.316 2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.091 -5.611 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.778 -5.008 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.243 -6.625 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.572 -6.052 -0.154 1.00 0.00 H new ATOM 480 N ASN A 34 2.625 -5.890 3.374 1.00 0.00 N ATOM 481 CA ASN A 34 1.165 -6.138 3.563 1.00 0.00 C ATOM 482 C ASN A 34 0.474 -4.836 3.970 1.00 0.00 C ATOM 483 O ASN A 34 1.054 -3.997 4.634 1.00 0.00 O ATOM 484 CB ASN A 34 0.960 -7.186 4.662 1.00 0.00 C ATOM 485 CG ASN A 34 1.802 -8.427 4.355 1.00 0.00 C ATOM 486 OD1 ASN A 34 1.759 -8.948 3.259 1.00 0.00 O ATOM 487 ND2 ASN A 34 2.571 -8.926 5.285 1.00 0.00 N ATOM 0 H ASN A 34 3.039 -5.226 4.028 1.00 0.00 H new ATOM 0 HA ASN A 34 0.737 -6.502 2.629 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.244 -6.772 5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.094 -7.457 4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.135 -9.753 5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.607 -8.489 6.206 1.00 0.00 H new ATOM 494 N LEU A 35 -0.762 -4.667 3.578 1.00 0.00 N ATOM 495 CA LEU A 35 -1.504 -3.424 3.938 1.00 0.00 C ATOM 496 C LEU A 35 -2.379 -3.695 5.164 1.00 0.00 C ATOM 497 O LEU A 35 -3.140 -4.644 5.196 1.00 0.00 O ATOM 498 CB LEU A 35 -2.387 -2.998 2.763 1.00 0.00 C ATOM 499 CG LEU A 35 -3.030 -1.646 3.074 1.00 0.00 C ATOM 500 CD1 LEU A 35 -2.152 -0.522 2.522 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.413 -1.579 2.421 1.00 0.00 C ATOM 0 H LEU A 35 -1.291 -5.339 3.022 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.795 -2.627 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.791 -2.929 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.158 -3.747 2.583 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.129 -1.531 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.611 0.441 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.166 -0.569 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.052 -0.636 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.873 -0.616 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.312 -1.694 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.040 -2.379 2.814 1.00 0.00 H new ATOM 513 N GLU A 36 -2.272 -2.869 6.173 1.00 0.00 N ATOM 514 CA GLU A 36 -3.090 -3.072 7.405 1.00 0.00 C ATOM 515 C GLU A 36 -4.153 -1.977 7.504 1.00 0.00 C ATOM 516 O GLU A 36 -3.842 -0.811 7.665 1.00 0.00 O ATOM 517 CB GLU A 36 -2.182 -3.010 8.635 1.00 0.00 C ATOM 518 CG GLU A 36 -2.940 -3.541 9.854 1.00 0.00 C ATOM 519 CD GLU A 36 -3.669 -2.387 10.546 1.00 0.00 C ATOM 520 OE1 GLU A 36 -4.802 -2.123 10.179 1.00 0.00 O ATOM 521 OE2 GLU A 36 -3.082 -1.788 11.431 1.00 0.00 O ATOM 0 H GLU A 36 -1.651 -2.060 6.196 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.577 -4.046 7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.282 -3.602 8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.860 -1.984 8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.655 -4.304 9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.246 -4.015 10.548 1.00 0.00 H new ATOM 528 N TYR A 37 -5.406 -2.346 7.413 1.00 0.00 N ATOM 529 CA TYR A 37 -6.500 -1.334 7.506 1.00 0.00 C ATOM 530 C TYR A 37 -7.696 -1.938 8.247 1.00 0.00 C ATOM 531 O TYR A 37 -8.036 -3.091 8.057 1.00 0.00 O ATOM 532 CB TYR A 37 -6.932 -0.913 6.101 1.00 0.00 C ATOM 533 CG TYR A 37 -7.762 0.346 6.190 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.154 1.561 6.528 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.138 0.297 5.937 1.00 0.00 C ATOM 536 CE1 TYR A 37 -7.923 2.727 6.615 1.00 0.00 C ATOM 537 CE2 TYR A 37 -9.906 1.464 6.024 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.300 2.679 6.363 1.00 0.00 C ATOM 539 OH TYR A 37 -10.057 3.828 6.450 1.00 0.00 O ATOM 0 H TYR A 37 -5.718 -3.308 7.278 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.138 -0.462 8.050 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.056 -0.741 5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.509 -1.710 5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.092 1.598 6.721 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.606 -0.640 5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.455 3.664 6.877 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.968 1.427 5.829 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.992 3.620 6.244 1.00 0.00 H new ATOM 549 N ASN A 38 -8.336 -1.165 9.089 1.00 0.00 N ATOM 550 CA ASN A 38 -9.517 -1.680 9.851 1.00 0.00 C ATOM 551 C ASN A 38 -9.083 -2.839 10.752 1.00 0.00 C ATOM 552 O ASN A 38 -9.838 -3.763 10.991 1.00 0.00 O ATOM 553 CB ASN A 38 -10.594 -2.168 8.877 1.00 0.00 C ATOM 554 CG ASN A 38 -11.952 -2.180 9.581 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.187 -1.407 10.488 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.863 -3.033 9.200 1.00 0.00 N ATOM 0 H ASN A 38 -8.090 -0.194 9.283 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.924 -0.875 10.463 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.631 -1.517 8.004 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.349 -3.168 8.519 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.771 -3.050 9.664 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.667 -3.683 8.438 1.00 0.00 H new ATOM 563 N GLY A 39 -7.875 -2.795 11.253 1.00 0.00 N ATOM 564 CA GLY A 39 -7.385 -3.892 12.143 1.00 0.00 C ATOM 565 C GLY A 39 -7.364 -5.209 11.373 1.00 0.00 C ATOM 566 O GLY A 39 -7.530 -6.272 11.941 1.00 0.00 O ATOM 0 H GLY A 39 -7.205 -2.045 11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.385 -3.657 12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.031 -3.981 13.016 1.00 0.00 H new ATOM 570 N LYS A 40 -7.149 -5.144 10.086 1.00 0.00 N ATOM 571 CA LYS A 40 -7.102 -6.388 9.271 1.00 0.00 C ATOM 572 C LYS A 40 -5.812 -6.404 8.458 1.00 0.00 C ATOM 573 O LYS A 40 -5.345 -5.382 7.993 1.00 0.00 O ATOM 574 CB LYS A 40 -8.299 -6.436 8.324 1.00 0.00 C ATOM 575 CG LYS A 40 -9.558 -6.804 9.111 1.00 0.00 C ATOM 576 CD LYS A 40 -10.779 -6.163 8.449 1.00 0.00 C ATOM 577 CE LYS A 40 -11.095 -6.895 7.144 1.00 0.00 C ATOM 578 NZ LYS A 40 -11.790 -8.176 7.450 1.00 0.00 N ATOM 0 H LYS A 40 -7.004 -4.279 9.565 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.135 -7.254 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.431 -5.469 7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.123 -7.168 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.676 -7.887 9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.468 -6.462 10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.636 -6.209 9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.586 -5.109 8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.723 -6.271 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.176 -7.090 6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.213 -8.558 6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.105 -8.860 7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.538 -8.006 8.153 1.00 0.00 H new ATOM 592 N THR A 41 -5.235 -7.559 8.288 1.00 0.00 N ATOM 593 CA THR A 41 -3.969 -7.661 7.506 1.00 0.00 C ATOM 594 C THR A 41 -4.238 -8.402 6.195 1.00 0.00 C ATOM 595 O THR A 41 -4.753 -9.505 6.191 1.00 0.00 O ATOM 596 CB THR A 41 -2.927 -8.430 8.323 1.00 0.00 C ATOM 597 OG1 THR A 41 -2.998 -8.019 9.682 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.530 -8.141 7.772 1.00 0.00 C ATOM 0 H THR A 41 -5.586 -8.442 8.658 1.00 0.00 H new ATOM 0 HA THR A 41 -3.594 -6.661 7.287 1.00 0.00 H new ATOM 0 HB THR A 41 -3.127 -9.499 8.255 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.333 -8.511 10.208 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.789 -8.689 8.354 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.478 -8.456 6.730 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.326 -7.072 7.839 1.00 0.00 H new ATOM 606 N VAL A 42 -3.892 -7.802 5.085 1.00 0.00 N ATOM 607 CA VAL A 42 -4.123 -8.462 3.768 1.00 0.00 C ATOM 608 C VAL A 42 -2.848 -8.376 2.925 1.00 0.00 C ATOM 609 O VAL A 42 -2.047 -7.474 3.089 1.00 0.00 O ATOM 610 CB VAL A 42 -5.272 -7.760 3.040 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.567 -7.947 3.834 1.00 0.00 C ATOM 612 CG2 VAL A 42 -4.963 -6.265 2.919 1.00 0.00 C ATOM 0 H VAL A 42 -3.458 -6.880 5.036 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.382 -9.509 3.924 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.388 -8.190 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.386 -7.448 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.789 -9.010 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.450 -7.516 4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.781 -5.765 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.848 -5.836 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.040 -6.129 2.356 1.00 0.00 H new ATOM 622 N ASN A 43 -2.654 -9.308 2.029 1.00 0.00 N ATOM 623 CA ASN A 43 -1.431 -9.291 1.172 1.00 0.00 C ATOM 624 C ASN A 43 -1.431 -8.035 0.298 1.00 0.00 C ATOM 625 O ASN A 43 -2.449 -7.644 -0.241 1.00 0.00 O ATOM 626 CB ASN A 43 -1.417 -10.531 0.278 1.00 0.00 C ATOM 627 CG ASN A 43 0.020 -10.837 -0.150 1.00 0.00 C ATOM 628 OD1 ASN A 43 0.852 -9.953 -0.201 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.348 -12.060 -0.461 1.00 0.00 N ATOM 0 H ASN A 43 -3.293 -10.084 1.853 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.546 -9.289 1.808 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.837 -11.383 0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.042 -10.366 -0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.303 -12.275 -0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.351 -12.802 -0.418 1.00 0.00 H new ATOM 636 N LEU A 44 -0.291 -7.409 0.150 1.00 0.00 N ATOM 637 CA LEU A 44 -0.208 -6.181 -0.694 1.00 0.00 C ATOM 638 C LEU A 44 -0.522 -6.548 -2.148 1.00 0.00 C ATOM 639 O LEU A 44 -1.057 -5.752 -2.897 1.00 0.00 O ATOM 640 CB LEU A 44 1.211 -5.599 -0.601 1.00 0.00 C ATOM 641 CG LEU A 44 1.191 -4.072 -0.787 1.00 0.00 C ATOM 642 CD1 LEU A 44 0.607 -3.717 -2.156 1.00 0.00 C ATOM 643 CD2 LEU A 44 0.344 -3.424 0.313 1.00 0.00 C ATOM 0 H LEU A 44 0.588 -7.697 0.579 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.927 -5.440 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.647 -5.846 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.846 -6.054 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 44 2.213 -3.698 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.597 -2.634 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.218 -4.165 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.411 -4.099 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.334 -2.343 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.676 -3.806 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.770 -3.662 1.288 1.00 0.00 H new ATOM 655 N LYS A 45 -0.193 -7.752 -2.550 1.00 0.00 N ATOM 656 CA LYS A 45 -0.468 -8.180 -3.953 1.00 0.00 C ATOM 657 C LYS A 45 -1.862 -8.813 -4.036 1.00 0.00 C ATOM 658 O LYS A 45 -2.031 -9.910 -4.537 1.00 0.00 O ATOM 659 CB LYS A 45 0.590 -9.198 -4.396 1.00 0.00 C ATOM 660 CG LYS A 45 1.990 -8.581 -4.268 1.00 0.00 C ATOM 661 CD LYS A 45 2.944 -9.588 -3.618 1.00 0.00 C ATOM 662 CE LYS A 45 3.433 -10.588 -4.670 1.00 0.00 C ATOM 663 NZ LYS A 45 4.547 -9.986 -5.462 1.00 0.00 N ATOM 0 H LYS A 45 0.255 -8.456 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.429 -7.311 -4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.521 -10.097 -3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.408 -9.500 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.363 -8.296 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.943 -7.672 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.793 -9.066 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.437 -10.115 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.773 -11.503 -4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.612 -10.864 -5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.942 -10.702 -6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.185 -9.185 -6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.291 -9.652 -4.816 1.00 0.00 H new ATOM 677 N SER A 46 -2.864 -8.124 -3.549 1.00 0.00 N ATOM 678 CA SER A 46 -4.249 -8.671 -3.594 1.00 0.00 C ATOM 679 C SER A 46 -5.201 -7.606 -4.140 1.00 0.00 C ATOM 680 O SER A 46 -5.202 -6.475 -3.694 1.00 0.00 O ATOM 681 CB SER A 46 -4.683 -9.063 -2.185 1.00 0.00 C ATOM 682 OG SER A 46 -5.691 -10.061 -2.264 1.00 0.00 O ATOM 0 H SER A 46 -2.779 -7.202 -3.121 1.00 0.00 H new ATOM 0 HA SER A 46 -4.274 -9.547 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.829 -9.437 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.060 -8.190 -1.652 1.00 0.00 H new ATOM 0 HG SER A 46 -5.857 -10.430 -1.371 1.00 0.00 H new ATOM 688 N ILE A 47 -6.018 -7.966 -5.096 1.00 0.00 N ATOM 689 CA ILE A 47 -6.985 -6.986 -5.674 1.00 0.00 C ATOM 690 C ILE A 47 -8.380 -7.278 -5.116 1.00 0.00 C ATOM 691 O ILE A 47 -9.192 -6.387 -4.952 1.00 0.00 O ATOM 692 CB ILE A 47 -6.997 -7.111 -7.202 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.578 -6.902 -7.745 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.929 -6.052 -7.798 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.902 -8.259 -7.955 1.00 0.00 C ATOM 0 H ILE A 47 -6.057 -8.901 -5.503 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.688 -5.972 -5.406 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.351 -8.104 -7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.615 -6.354 -8.686 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.996 -6.299 -7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.936 -6.143 -8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.939 -6.199 -7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.577 -5.059 -7.519 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.894 -8.107 -8.341 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.851 -8.791 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.479 -8.846 -8.669 1.00 0.00 H new ATOM 707 N MET A 48 -8.658 -8.522 -4.816 1.00 0.00 N ATOM 708 CA MET A 48 -9.992 -8.887 -4.258 1.00 0.00 C ATOM 709 C MET A 48 -9.928 -8.831 -2.729 1.00 0.00 C ATOM 710 O MET A 48 -10.905 -8.533 -2.069 1.00 0.00 O ATOM 711 CB MET A 48 -10.361 -10.304 -4.701 1.00 0.00 C ATOM 712 CG MET A 48 -11.870 -10.510 -4.557 1.00 0.00 C ATOM 713 SD MET A 48 -12.712 -9.824 -6.005 1.00 0.00 S ATOM 714 CE MET A 48 -13.979 -11.106 -6.159 1.00 0.00 C ATOM 0 H MET A 48 -8.013 -9.303 -4.935 1.00 0.00 H new ATOM 0 HA MET A 48 -10.745 -8.188 -4.621 1.00 0.00 H new ATOM 0 HB2 MET A 48 -10.059 -10.462 -5.736 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.825 -11.036 -4.097 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.096 -11.572 -4.461 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.229 -10.024 -3.650 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.625 -10.879 -7.007 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.501 -12.073 -6.315 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.576 -11.139 -5.248 1.00 0.00 H new ATOM 724 N GLY A 49 -8.780 -9.116 -2.168 1.00 0.00 N ATOM 725 CA GLY A 49 -8.632 -9.085 -0.684 1.00 0.00 C ATOM 726 C GLY A 49 -8.803 -7.651 -0.177 1.00 0.00 C ATOM 727 O GLY A 49 -9.238 -7.427 0.938 1.00 0.00 O ATOM 0 H GLY A 49 -7.935 -9.370 -2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.375 -9.735 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.652 -9.467 -0.399 1.00 0.00 H new ATOM 731 N VAL A 50 -8.462 -6.681 -0.986 1.00 0.00 N ATOM 732 CA VAL A 50 -8.597 -5.258 -0.557 1.00 0.00 C ATOM 733 C VAL A 50 -10.073 -4.840 -0.626 1.00 0.00 C ATOM 734 O VAL A 50 -10.519 -3.991 0.122 1.00 0.00 O ATOM 735 CB VAL A 50 -7.744 -4.369 -1.476 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.234 -4.485 -2.924 1.00 0.00 C ATOM 737 CG2 VAL A 50 -7.833 -2.907 -1.018 1.00 0.00 C ATOM 0 H VAL A 50 -8.095 -6.815 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.249 -5.144 0.470 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.707 -4.701 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.623 -3.851 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.154 -5.521 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.274 -4.165 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.226 -2.283 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.870 -2.575 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.466 -2.823 0.005 1.00 0.00 H new ATOM 747 N VAL A 51 -10.828 -5.431 -1.518 1.00 0.00 N ATOM 748 CA VAL A 51 -12.273 -5.073 -1.640 1.00 0.00 C ATOM 749 C VAL A 51 -12.995 -5.403 -0.329 1.00 0.00 C ATOM 750 O VAL A 51 -13.967 -4.765 0.029 1.00 0.00 O ATOM 751 CB VAL A 51 -12.901 -5.869 -2.787 1.00 0.00 C ATOM 752 CG1 VAL A 51 -14.345 -5.408 -3.001 1.00 0.00 C ATOM 753 CG2 VAL A 51 -12.098 -5.633 -4.068 1.00 0.00 C ATOM 0 H VAL A 51 -10.504 -6.147 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.367 -4.007 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.892 -6.930 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.791 -5.975 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -14.919 -5.573 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.355 -4.347 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.543 -6.199 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.108 -4.571 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.069 -5.961 -3.918 1.00 0.00 H new ATOM 763 N SER A 52 -12.523 -6.393 0.386 1.00 0.00 N ATOM 764 CA SER A 52 -13.175 -6.770 1.675 1.00 0.00 C ATOM 765 C SER A 52 -13.033 -5.615 2.669 1.00 0.00 C ATOM 766 O SER A 52 -13.897 -5.385 3.494 1.00 0.00 O ATOM 767 CB SER A 52 -12.500 -8.019 2.242 1.00 0.00 C ATOM 768 OG SER A 52 -11.141 -7.727 2.537 1.00 0.00 O ATOM 0 H SER A 52 -11.712 -6.957 0.131 1.00 0.00 H new ATOM 0 HA SER A 52 -14.231 -6.977 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.017 -8.348 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.560 -8.837 1.524 1.00 0.00 H new ATOM 0 HG SER A 52 -10.637 -7.638 1.701 1.00 0.00 H new ATOM 774 N LEU A 53 -11.946 -4.890 2.594 1.00 0.00 N ATOM 775 CA LEU A 53 -11.734 -3.746 3.530 1.00 0.00 C ATOM 776 C LEU A 53 -12.649 -2.585 3.133 1.00 0.00 C ATOM 777 O LEU A 53 -13.427 -2.098 3.931 1.00 0.00 O ATOM 778 CB LEU A 53 -10.278 -3.282 3.450 1.00 0.00 C ATOM 779 CG LEU A 53 -9.379 -4.270 4.193 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.964 -4.209 3.612 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.338 -3.900 5.677 1.00 0.00 C ATOM 0 H LEU A 53 -11.194 -5.042 1.922 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.963 -4.066 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.967 -3.206 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.179 -2.288 3.885 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.774 -5.280 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.323 -4.913 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.994 -4.470 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.567 -3.200 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.698 -4.603 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.942 -2.891 5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.346 -3.942 6.090 1.00 0.00 H new ATOM 793 N GLY A 54 -12.550 -2.138 1.907 1.00 0.00 N ATOM 794 CA GLY A 54 -13.402 -1.003 1.448 1.00 0.00 C ATOM 795 C GLY A 54 -12.811 0.310 1.963 1.00 0.00 C ATOM 796 O GLY A 54 -13.453 1.045 2.691 1.00 0.00 O ATOM 0 H GLY A 54 -11.914 -2.512 1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.455 -0.990 0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.421 -1.126 1.815 1.00 0.00 H new ATOM 800 N ILE A 55 -11.591 0.605 1.592 1.00 0.00 N ATOM 801 CA ILE A 55 -10.946 1.864 2.055 1.00 0.00 C ATOM 802 C ILE A 55 -11.557 3.053 1.319 1.00 0.00 C ATOM 803 O ILE A 55 -11.872 2.979 0.146 1.00 0.00 O ATOM 804 CB ILE A 55 -9.443 1.812 1.770 1.00 0.00 C ATOM 805 CG1 ILE A 55 -8.853 0.531 2.366 1.00 0.00 C ATOM 806 CG2 ILE A 55 -8.764 3.026 2.406 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.386 0.402 1.950 1.00 0.00 C ATOM 0 H ILE A 55 -11.014 0.023 0.985 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.108 1.974 3.127 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.277 1.822 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.933 0.553 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.417 -0.336 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.693 2.991 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.183 3.940 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.931 3.014 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.966 -0.510 2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.318 0.361 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.827 1.263 2.316 1.00 0.00 H new ATOM 819 N ALA A 56 -11.719 4.147 2.006 1.00 0.00 N ATOM 820 CA ALA A 56 -12.303 5.363 1.372 1.00 0.00 C ATOM 821 C ALA A 56 -11.298 6.514 1.468 1.00 0.00 C ATOM 822 O ALA A 56 -10.201 6.347 1.969 1.00 0.00 O ATOM 823 CB ALA A 56 -13.595 5.747 2.098 1.00 0.00 C ATOM 0 H ALA A 56 -11.470 4.253 2.989 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.525 5.160 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.022 6.636 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.308 4.925 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.376 5.953 3.146 1.00 0.00 H new ATOM 829 N LYS A 57 -11.664 7.676 0.991 1.00 0.00 N ATOM 830 CA LYS A 57 -10.732 8.840 1.052 1.00 0.00 C ATOM 831 C LYS A 57 -10.455 9.198 2.516 1.00 0.00 C ATOM 832 O LYS A 57 -11.316 9.069 3.367 1.00 0.00 O ATOM 833 CB LYS A 57 -11.365 10.040 0.338 1.00 0.00 C ATOM 834 CG LYS A 57 -12.725 10.360 0.969 1.00 0.00 C ATOM 835 CD LYS A 57 -12.576 11.534 1.942 1.00 0.00 C ATOM 836 CE LYS A 57 -13.556 11.363 3.103 1.00 0.00 C ATOM 837 NZ LYS A 57 -12.985 11.989 4.330 1.00 0.00 N ATOM 0 H LYS A 57 -12.569 7.868 0.562 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.794 8.581 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.707 10.906 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.488 9.821 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.448 10.608 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.108 9.485 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.554 11.580 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.768 12.474 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.512 11.825 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.749 10.304 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.651 11.873 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.083 11.529 4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.823 13.002 4.159 1.00 0.00 H new ATOM 851 N GLY A 58 -9.262 9.646 2.811 1.00 0.00 N ATOM 852 CA GLY A 58 -8.920 10.016 4.216 1.00 0.00 C ATOM 853 C GLY A 58 -8.860 8.755 5.079 1.00 0.00 C ATOM 854 O GLY A 58 -9.408 8.708 6.164 1.00 0.00 O ATOM 0 H GLY A 58 -8.507 9.772 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.961 10.533 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.665 10.705 4.613 1.00 0.00 H new ATOM 858 N ALA A 59 -8.197 7.732 4.604 1.00 0.00 N ATOM 859 CA ALA A 59 -8.095 6.466 5.389 1.00 0.00 C ATOM 860 C ALA A 59 -6.653 6.274 5.864 1.00 0.00 C ATOM 861 O ALA A 59 -5.718 6.410 5.099 1.00 0.00 O ATOM 862 CB ALA A 59 -8.505 5.285 4.507 1.00 0.00 C ATOM 0 H ALA A 59 -7.720 7.720 3.702 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.757 6.520 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.431 4.360 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.533 5.422 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.844 5.230 3.642 1.00 0.00 H new ATOM 868 N GLU A 60 -6.470 5.956 7.120 1.00 0.00 N ATOM 869 CA GLU A 60 -5.092 5.751 7.654 1.00 0.00 C ATOM 870 C GLU A 60 -4.659 4.308 7.392 1.00 0.00 C ATOM 871 O GLU A 60 -5.295 3.372 7.837 1.00 0.00 O ATOM 872 CB GLU A 60 -5.081 6.021 9.160 1.00 0.00 C ATOM 873 CG GLU A 60 -5.380 7.500 9.418 1.00 0.00 C ATOM 874 CD GLU A 60 -4.622 7.964 10.663 1.00 0.00 C ATOM 875 OE1 GLU A 60 -5.060 7.640 11.754 1.00 0.00 O ATOM 876 OE2 GLU A 60 -3.615 8.635 10.504 1.00 0.00 O ATOM 0 H GLU A 60 -7.219 5.829 7.800 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.403 6.436 7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.824 5.397 9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.110 5.757 9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.085 8.098 8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.451 7.647 9.556 1.00 0.00 H new ATOM 883 N ILE A 61 -3.583 4.124 6.670 1.00 0.00 N ATOM 884 CA ILE A 61 -3.106 2.741 6.368 1.00 0.00 C ATOM 885 C ILE A 61 -1.718 2.526 6.976 1.00 0.00 C ATOM 886 O ILE A 61 -0.966 3.462 7.176 1.00 0.00 O ATOM 887 CB ILE A 61 -3.035 2.551 4.853 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.177 3.660 4.239 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.446 2.616 4.264 1.00 0.00 C ATOM 890 CD1 ILE A 61 -1.893 3.334 2.772 1.00 0.00 C ATOM 0 H ILE A 61 -3.014 4.873 6.276 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.800 2.018 6.797 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.591 1.581 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.692 4.618 4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.241 3.756 4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.396 2.481 3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.059 1.828 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.889 3.586 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.282 4.124 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.360 2.385 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.834 3.260 2.227 1.00 0.00 H new ATOM 902 N THR A 62 -1.376 1.296 7.265 1.00 0.00 N ATOM 903 CA THR A 62 -0.038 1.001 7.857 1.00 0.00 C ATOM 904 C THR A 62 0.648 -0.094 7.037 1.00 0.00 C ATOM 905 O THR A 62 0.201 -1.224 7.004 1.00 0.00 O ATOM 906 CB THR A 62 -0.211 0.521 9.302 1.00 0.00 C ATOM 907 OG1 THR A 62 -1.073 1.414 9.995 1.00 0.00 O ATOM 908 CG2 THR A 62 1.151 0.481 9.998 1.00 0.00 C ATOM 0 H THR A 62 -1.970 0.480 7.115 1.00 0.00 H new ATOM 0 HA THR A 62 0.572 1.904 7.846 1.00 0.00 H new ATOM 0 HB THR A 62 -0.644 -0.479 9.303 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.187 1.108 10.919 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.025 0.139 11.025 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.811 -0.204 9.466 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.589 1.479 9.999 1.00 0.00 H new ATOM 916 N ILE A 63 1.727 0.235 6.374 1.00 0.00 N ATOM 917 CA ILE A 63 2.446 -0.781 5.551 1.00 0.00 C ATOM 918 C ILE A 63 3.535 -1.441 6.404 1.00 0.00 C ATOM 919 O ILE A 63 4.152 -0.807 7.237 1.00 0.00 O ATOM 920 CB ILE A 63 3.074 -0.091 4.330 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.961 0.487 3.451 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.889 -1.097 3.508 1.00 0.00 C ATOM 923 CD1 ILE A 63 1.502 1.835 4.015 1.00 0.00 C ATOM 0 H ILE A 63 2.142 1.167 6.368 1.00 0.00 H new ATOM 0 HA ILE A 63 1.749 -1.546 5.208 1.00 0.00 H new ATOM 0 HB ILE A 63 3.734 0.705 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.320 0.613 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.120 -0.206 3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.327 -0.593 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.683 -1.514 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.237 -1.900 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.710 2.242 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.125 1.696 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.343 2.528 4.033 1.00 0.00 H new ATOM 935 N SER A 64 3.771 -2.711 6.195 1.00 0.00 N ATOM 936 CA SER A 64 4.817 -3.424 6.982 1.00 0.00 C ATOM 937 C SER A 64 5.669 -4.273 6.038 1.00 0.00 C ATOM 938 O SER A 64 5.170 -5.154 5.364 1.00 0.00 O ATOM 939 CB SER A 64 4.146 -4.330 8.015 1.00 0.00 C ATOM 940 OG SER A 64 3.429 -5.357 7.341 1.00 0.00 O ATOM 0 H SER A 64 3.281 -3.286 5.510 1.00 0.00 H new ATOM 0 HA SER A 64 5.450 -2.698 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.896 -4.766 8.675 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.469 -3.749 8.641 1.00 0.00 H new ATOM 0 HG SER A 64 3.808 -5.488 6.447 1.00 0.00 H new ATOM 946 N ALA A 65 6.951 -4.011 5.984 1.00 0.00 N ATOM 947 CA ALA A 65 7.844 -4.798 5.084 1.00 0.00 C ATOM 948 C ALA A 65 8.790 -5.658 5.926 1.00 0.00 C ATOM 949 O ALA A 65 9.341 -5.204 6.912 1.00 0.00 O ATOM 950 CB ALA A 65 8.665 -3.843 4.215 1.00 0.00 C ATOM 0 H ALA A 65 7.417 -3.284 6.526 1.00 0.00 H new ATOM 0 HA ALA A 65 7.238 -5.441 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.317 -4.418 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.994 -3.230 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.270 -3.199 4.853 1.00 0.00 H new ATOM 956 N SER A 66 8.978 -6.895 5.542 1.00 0.00 N ATOM 957 CA SER A 66 9.886 -7.794 6.313 1.00 0.00 C ATOM 958 C SER A 66 10.587 -8.756 5.350 1.00 0.00 C ATOM 959 O SER A 66 10.007 -9.726 4.898 1.00 0.00 O ATOM 960 CB SER A 66 9.070 -8.594 7.329 1.00 0.00 C ATOM 961 OG SER A 66 8.507 -7.702 8.284 1.00 0.00 O ATOM 0 H SER A 66 8.540 -7.321 4.725 1.00 0.00 H new ATOM 0 HA SER A 66 10.631 -7.196 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.280 -9.149 6.823 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.705 -9.326 7.828 1.00 0.00 H new ATOM 0 HG SER A 66 7.982 -8.210 8.937 1.00 0.00 H new ATOM 967 N GLY A 67 11.830 -8.493 5.034 1.00 0.00 N ATOM 968 CA GLY A 67 12.578 -9.386 4.101 1.00 0.00 C ATOM 969 C GLY A 67 14.026 -8.908 3.986 1.00 0.00 C ATOM 970 O GLY A 67 14.621 -8.467 4.951 1.00 0.00 O ATOM 0 H GLY A 67 12.360 -7.695 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.551 -10.413 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.104 -9.383 3.119 1.00 0.00 H new ATOM 974 N ALA A 68 14.595 -8.990 2.808 1.00 0.00 N ATOM 975 CA ALA A 68 16.005 -8.540 2.620 1.00 0.00 C ATOM 976 C ALA A 68 16.017 -7.081 2.161 1.00 0.00 C ATOM 977 O ALA A 68 16.770 -6.269 2.664 1.00 0.00 O ATOM 978 CB ALA A 68 16.680 -9.415 1.561 1.00 0.00 C ATOM 0 H ALA A 68 14.141 -9.350 1.969 1.00 0.00 H new ATOM 0 HA ALA A 68 16.545 -8.628 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.710 -9.088 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.670 -10.455 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.141 -9.326 0.618 1.00 0.00 H new ATOM 984 N ASP A 69 15.182 -6.746 1.210 1.00 0.00 N ATOM 985 CA ASP A 69 15.132 -5.339 0.711 1.00 0.00 C ATOM 986 C ASP A 69 13.938 -4.619 1.343 1.00 0.00 C ATOM 987 O ASP A 69 13.247 -3.856 0.694 1.00 0.00 O ATOM 988 CB ASP A 69 14.989 -5.339 -0.816 1.00 0.00 C ATOM 989 CG ASP A 69 13.828 -6.249 -1.232 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.805 -6.213 -0.570 1.00 0.00 O ATOM 991 OD2 ASP A 69 13.985 -6.966 -2.206 1.00 0.00 O ATOM 0 H ASP A 69 14.532 -7.388 0.757 1.00 0.00 H new ATOM 0 HA ASP A 69 16.052 -4.822 0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.813 -4.324 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.915 -5.683 -1.277 1.00 0.00 H new ATOM 996 N GLU A 70 13.691 -4.864 2.604 1.00 0.00 N ATOM 997 CA GLU A 70 12.541 -4.206 3.294 1.00 0.00 C ATOM 998 C GLU A 70 12.725 -2.685 3.285 1.00 0.00 C ATOM 999 O GLU A 70 11.768 -1.937 3.230 1.00 0.00 O ATOM 1000 CB GLU A 70 12.461 -4.705 4.742 1.00 0.00 C ATOM 1001 CG GLU A 70 13.773 -4.398 5.475 1.00 0.00 C ATOM 1002 CD GLU A 70 13.935 -5.355 6.657 1.00 0.00 C ATOM 1003 OE1 GLU A 70 13.906 -6.554 6.432 1.00 0.00 O ATOM 1004 OE2 GLU A 70 14.087 -4.872 7.767 1.00 0.00 O ATOM 0 H GLU A 70 14.239 -5.495 3.188 1.00 0.00 H new ATOM 0 HA GLU A 70 11.619 -4.456 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.627 -4.226 5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.269 -5.778 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.616 -4.501 4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.772 -3.366 5.827 1.00 0.00 H new ATOM 1011 N ASN A 71 13.950 -2.226 3.347 1.00 0.00 N ATOM 1012 CA ASN A 71 14.205 -0.755 3.353 1.00 0.00 C ATOM 1013 C ASN A 71 13.839 -0.153 1.994 1.00 0.00 C ATOM 1014 O ASN A 71 13.233 0.896 1.918 1.00 0.00 O ATOM 1015 CB ASN A 71 15.684 -0.495 3.645 1.00 0.00 C ATOM 1016 CG ASN A 71 15.888 -0.361 5.154 1.00 0.00 C ATOM 1017 OD1 ASN A 71 16.496 -1.210 5.775 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.402 0.679 5.775 1.00 0.00 N ATOM 0 H ASN A 71 14.786 -2.809 3.394 1.00 0.00 H new ATOM 0 HA ASN A 71 13.592 -0.290 4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.292 -1.312 3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.011 0.414 3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.533 0.779 6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.892 1.392 5.254 1.00 0.00 H new ATOM 1025 N ASP A 72 14.211 -0.806 0.925 1.00 0.00 N ATOM 1026 CA ASP A 72 13.897 -0.269 -0.434 1.00 0.00 C ATOM 1027 C ASP A 72 12.410 -0.461 -0.758 1.00 0.00 C ATOM 1028 O ASP A 72 11.877 0.193 -1.632 1.00 0.00 O ATOM 1029 CB ASP A 72 14.741 -1.003 -1.478 1.00 0.00 C ATOM 1030 CG ASP A 72 16.218 -0.929 -1.085 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.704 0.172 -0.887 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.838 -1.976 -0.989 1.00 0.00 O ATOM 0 H ASP A 72 14.720 -1.690 0.933 1.00 0.00 H new ATOM 0 HA ASP A 72 14.126 0.796 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.425 -2.044 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.592 -0.556 -2.461 1.00 0.00 H new ATOM 1037 N ALA A 73 11.740 -1.355 -0.073 1.00 0.00 N ATOM 1038 CA ALA A 73 10.292 -1.589 -0.358 1.00 0.00 C ATOM 1039 C ALA A 73 9.432 -0.508 0.309 1.00 0.00 C ATOM 1040 O ALA A 73 8.488 -0.015 -0.280 1.00 0.00 O ATOM 1041 CB ALA A 73 9.886 -2.961 0.183 1.00 0.00 C ATOM 0 H ALA A 73 12.134 -1.932 0.670 1.00 0.00 H new ATOM 0 HA ALA A 73 10.135 -1.550 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.830 -3.135 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.483 -3.734 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.056 -2.992 1.259 1.00 0.00 H new ATOM 1047 N LEU A 74 9.733 -0.150 1.535 1.00 0.00 N ATOM 1048 CA LEU A 74 8.912 0.884 2.239 1.00 0.00 C ATOM 1049 C LEU A 74 9.123 2.267 1.608 1.00 0.00 C ATOM 1050 O LEU A 74 8.175 3.007 1.413 1.00 0.00 O ATOM 1051 CB LEU A 74 9.276 0.926 3.730 1.00 0.00 C ATOM 1052 CG LEU A 74 10.765 1.229 3.909 1.00 0.00 C ATOM 1053 CD1 LEU A 74 10.971 2.741 4.061 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.279 0.516 5.166 1.00 0.00 C ATOM 0 H LEU A 74 10.510 -0.529 2.077 1.00 0.00 H new ATOM 0 HA LEU A 74 7.861 0.614 2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.681 1.687 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.034 -0.029 4.197 1.00 0.00 H new ATOM 0 HG LEU A 74 11.314 0.877 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.033 2.953 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.604 3.250 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.423 3.097 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.340 0.729 5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.727 0.870 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.136 -0.559 5.059 1.00 0.00 H new ATOM 1066 N ASN A 75 10.344 2.629 1.290 1.00 0.00 N ATOM 1067 CA ASN A 75 10.582 3.975 0.674 1.00 0.00 C ATOM 1068 C ASN A 75 10.136 3.960 -0.790 1.00 0.00 C ATOM 1069 O ASN A 75 9.767 4.980 -1.344 1.00 0.00 O ATOM 1070 CB ASN A 75 12.066 4.359 0.759 1.00 0.00 C ATOM 1071 CG ASN A 75 12.960 3.196 0.327 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.590 2.403 -0.514 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.141 3.067 0.872 1.00 0.00 N ATOM 0 H ASN A 75 11.178 2.058 1.428 1.00 0.00 H new ATOM 0 HA ASN A 75 10.001 4.714 1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.258 5.225 0.125 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.312 4.651 1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.752 2.300 0.590 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.452 3.733 1.579 1.00 0.00 H new ATOM 1080 N ALA A 76 10.160 2.813 -1.416 1.00 0.00 N ATOM 1081 CA ALA A 76 9.731 2.721 -2.842 1.00 0.00 C ATOM 1082 C ALA A 76 8.208 2.837 -2.930 1.00 0.00 C ATOM 1083 O ALA A 76 7.670 3.284 -3.925 1.00 0.00 O ATOM 1084 CB ALA A 76 10.171 1.376 -3.418 1.00 0.00 C ATOM 0 H ALA A 76 10.460 1.932 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 76 10.189 3.531 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.858 1.307 -4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.256 1.292 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.713 0.568 -2.847 1.00 0.00 H new ATOM 1090 N LEU A 77 7.512 2.445 -1.892 1.00 0.00 N ATOM 1091 CA LEU A 77 6.023 2.537 -1.906 1.00 0.00 C ATOM 1092 C LEU A 77 5.616 3.986 -1.636 1.00 0.00 C ATOM 1093 O LEU A 77 4.600 4.456 -2.111 1.00 0.00 O ATOM 1094 CB LEU A 77 5.445 1.629 -0.818 1.00 0.00 C ATOM 1095 CG LEU A 77 5.588 0.167 -1.248 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.295 -0.749 -0.059 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.599 -0.131 -2.378 1.00 0.00 C ATOM 0 H LEU A 77 7.913 2.065 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 77 5.640 2.220 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.966 1.795 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.395 1.869 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 77 6.605 -0.009 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.397 -1.789 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.000 -0.538 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.279 -0.573 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.700 -1.172 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.582 0.047 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.810 0.520 -3.227 1.00 0.00 H new ATOM 1109 N GLU A 78 6.414 4.696 -0.881 1.00 0.00 N ATOM 1110 CA GLU A 78 6.107 6.121 -0.571 1.00 0.00 C ATOM 1111 C GLU A 78 6.070 6.926 -1.878 1.00 0.00 C ATOM 1112 O GLU A 78 5.093 7.584 -2.185 1.00 0.00 O ATOM 1113 CB GLU A 78 7.205 6.664 0.351 1.00 0.00 C ATOM 1114 CG GLU A 78 6.965 8.147 0.656 1.00 0.00 C ATOM 1115 CD GLU A 78 7.527 8.479 2.039 1.00 0.00 C ATOM 1116 OE1 GLU A 78 8.737 8.451 2.188 1.00 0.00 O ATOM 1117 OE2 GLU A 78 6.738 8.754 2.928 1.00 0.00 O ATOM 0 H GLU A 78 7.275 4.343 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 78 5.139 6.205 -0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.223 6.094 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.180 6.537 -0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.444 8.767 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.898 8.369 0.622 1.00 0.00 H new ATOM 1124 N GLU A 79 7.130 6.876 -2.642 1.00 0.00 N ATOM 1125 CA GLU A 79 7.174 7.637 -3.928 1.00 0.00 C ATOM 1126 C GLU A 79 6.065 7.140 -4.865 1.00 0.00 C ATOM 1127 O GLU A 79 5.515 7.899 -5.642 1.00 0.00 O ATOM 1128 CB GLU A 79 8.541 7.438 -4.595 1.00 0.00 C ATOM 1129 CG GLU A 79 8.787 5.946 -4.854 1.00 0.00 C ATOM 1130 CD GLU A 79 10.263 5.722 -5.191 1.00 0.00 C ATOM 1131 OE1 GLU A 79 11.077 5.811 -4.286 1.00 0.00 O ATOM 1132 OE2 GLU A 79 10.553 5.465 -6.347 1.00 0.00 O ATOM 0 H GLU A 79 7.971 6.339 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 79 7.021 8.697 -3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.580 7.990 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.328 7.839 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.511 5.363 -3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.159 5.600 -5.675 1.00 0.00 H new ATOM 1139 N THR A 80 5.743 5.874 -4.799 1.00 0.00 N ATOM 1140 CA THR A 80 4.678 5.318 -5.686 1.00 0.00 C ATOM 1141 C THR A 80 3.343 6.005 -5.386 1.00 0.00 C ATOM 1142 O THR A 80 2.552 6.253 -6.275 1.00 0.00 O ATOM 1143 CB THR A 80 4.542 3.814 -5.438 1.00 0.00 C ATOM 1144 OG1 THR A 80 5.813 3.197 -5.581 1.00 0.00 O ATOM 1145 CG2 THR A 80 3.562 3.212 -6.447 1.00 0.00 C ATOM 0 H THR A 80 6.173 5.199 -4.167 1.00 0.00 H new ATOM 0 HA THR A 80 4.949 5.495 -6.727 1.00 0.00 H new ATOM 0 HB THR A 80 4.166 3.645 -4.429 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.205 3.047 -4.696 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.467 2.141 -6.268 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.587 3.686 -6.335 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.932 3.379 -7.458 1.00 0.00 H new ATOM 1153 N MET A 81 3.088 6.309 -4.139 1.00 0.00 N ATOM 1154 CA MET A 81 1.804 6.976 -3.775 1.00 0.00 C ATOM 1155 C MET A 81 1.803 8.410 -4.308 1.00 0.00 C ATOM 1156 O MET A 81 0.862 8.845 -4.940 1.00 0.00 O ATOM 1157 CB MET A 81 1.654 6.999 -2.252 1.00 0.00 C ATOM 1158 CG MET A 81 1.625 5.565 -1.719 1.00 0.00 C ATOM 1159 SD MET A 81 -0.029 4.867 -1.955 1.00 0.00 S ATOM 1160 CE MET A 81 0.104 3.548 -0.724 1.00 0.00 C ATOM 0 H MET A 81 3.716 6.123 -3.357 1.00 0.00 H new ATOM 0 HA MET A 81 0.973 6.425 -4.214 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.482 7.548 -1.803 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.738 7.520 -1.974 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.365 4.957 -2.239 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.889 5.553 -0.661 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.825 2.978 -0.700 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.929 2.886 -0.988 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.288 3.984 0.258 1.00 0.00 H new ATOM 1170 N LYS A 82 2.857 9.146 -4.059 1.00 0.00 N ATOM 1171 CA LYS A 82 2.931 10.560 -4.543 1.00 0.00 C ATOM 1172 C LYS A 82 2.733 10.621 -6.065 1.00 0.00 C ATOM 1173 O LYS A 82 2.384 11.654 -6.607 1.00 0.00 O ATOM 1174 CB LYS A 82 4.300 11.146 -4.188 1.00 0.00 C ATOM 1175 CG LYS A 82 4.554 10.991 -2.685 1.00 0.00 C ATOM 1176 CD LYS A 82 5.757 11.846 -2.277 1.00 0.00 C ATOM 1177 CE LYS A 82 5.273 13.201 -1.752 1.00 0.00 C ATOM 1178 NZ LYS A 82 5.392 14.222 -2.831 1.00 0.00 N ATOM 0 H LYS A 82 3.674 8.827 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 82 2.141 11.137 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.081 10.638 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.339 12.199 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.671 11.296 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.740 9.945 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.336 11.333 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.419 11.991 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.237 13.126 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.864 13.500 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.345 15.174 -2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.301 14.103 -3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.613 14.102 -3.510 1.00 0.00 H new ATOM 1192 N SER A 83 2.959 9.532 -6.760 1.00 0.00 N ATOM 1193 CA SER A 83 2.790 9.531 -8.245 1.00 0.00 C ATOM 1194 C SER A 83 1.348 9.901 -8.615 1.00 0.00 C ATOM 1195 O SER A 83 1.117 10.664 -9.535 1.00 0.00 O ATOM 1196 CB SER A 83 3.115 8.140 -8.792 1.00 0.00 C ATOM 1197 OG SER A 83 2.043 7.254 -8.494 1.00 0.00 O ATOM 0 H SER A 83 3.254 8.641 -6.360 1.00 0.00 H new ATOM 0 HA SER A 83 3.467 10.266 -8.680 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.273 8.188 -9.869 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.041 7.770 -8.351 1.00 0.00 H new ATOM 0 HG SER A 83 1.980 7.131 -7.524 1.00 0.00 H new ATOM 1203 N GLU A 84 0.380 9.361 -7.916 1.00 0.00 N ATOM 1204 CA GLU A 84 -1.046 9.676 -8.240 1.00 0.00 C ATOM 1205 C GLU A 84 -1.715 10.430 -7.081 1.00 0.00 C ATOM 1206 O GLU A 84 -2.926 10.556 -7.042 1.00 0.00 O ATOM 1207 CB GLU A 84 -1.807 8.372 -8.496 1.00 0.00 C ATOM 1208 CG GLU A 84 -1.364 7.777 -9.833 1.00 0.00 C ATOM 1209 CD GLU A 84 -1.651 6.273 -9.842 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.311 5.619 -8.871 1.00 0.00 O ATOM 1211 OE2 GLU A 84 -2.205 5.802 -10.821 1.00 0.00 O ATOM 0 H GLU A 84 0.515 8.717 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.069 10.307 -9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.617 7.663 -7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.880 8.561 -8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.892 8.264 -10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.300 7.956 -9.988 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.951 10.936 -6.140 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.559 11.683 -4.996 1.00 0.00 C ATOM 1220 C GLY A 85 -2.503 10.760 -4.219 1.00 0.00 C ATOM 1221 O GLY A 85 -3.582 11.155 -3.820 1.00 0.00 O ATOM 0 H GLY A 85 0.066 10.863 -6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.776 12.057 -4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.106 12.551 -5.365 1.00 0.00 H new ATOM 1225 N LEU A 86 -2.099 9.535 -4.003 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.958 8.575 -3.254 1.00 0.00 C ATOM 1227 C LEU A 86 -2.794 8.806 -1.749 1.00 0.00 C ATOM 1228 O LEU A 86 -3.689 8.532 -0.973 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.536 7.144 -3.593 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.897 6.835 -5.046 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.949 5.765 -5.591 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -4.337 6.321 -5.116 1.00 0.00 C ATOM 0 H LEU A 86 -1.205 9.158 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.000 8.727 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.463 7.024 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.033 6.440 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.804 7.742 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.206 5.545 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.923 6.129 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.042 4.858 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.595 6.101 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.429 5.414 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.014 7.082 -4.728 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.656 9.307 -1.333 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.429 9.557 0.121 1.00 0.00 C ATOM 1246 C GLY A 87 0.040 9.911 0.357 1.00 0.00 C ATOM 1247 O GLY A 87 0.789 10.140 -0.574 1.00 0.00 O ATOM 0 H GLY A 87 -0.875 9.553 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.069 10.369 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.698 8.673 0.699 1.00 0.00 H new ATOM 1251 N GLU A 88 0.455 9.957 1.598 1.00 0.00 N ATOM 1252 CA GLU A 88 1.877 10.296 1.906 1.00 0.00 C ATOM 1253 C GLU A 88 2.158 10.025 3.385 1.00 0.00 C ATOM 1254 O GLU A 88 1.507 10.638 4.213 1.00 0.00 O ATOM 1255 CB GLU A 88 2.128 11.774 1.599 1.00 0.00 C ATOM 1256 CG GLU A 88 1.108 12.635 2.350 1.00 0.00 C ATOM 1257 CD GLU A 88 1.052 14.028 1.717 1.00 0.00 C ATOM 1258 OE1 GLU A 88 2.158 14.695 1.537 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -0.011 14.512 1.383 1.00 0.00 O ATOM 1260 OXT GLU A 88 3.021 9.208 3.663 1.00 0.00 O ATOM 0 H GLU A 88 -0.131 9.774 2.412 1.00 0.00 H new ATOM 0 HA GLU A 88 2.537 9.682 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.140 12.050 1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.049 11.952 0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.124 12.167 2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.385 12.712 3.401 1.00 0.00 H new