USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 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 -100:sc= -1.15 USER MOD Set 1.2: A 80 THR OG1 : rot 76:sc= 0.434 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,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 12 SER OG : rot -87:sc= 0.863 USER MOD Single : A 15 HIS : no HD1:sc= -4.82! C(o=-4.8!,f=-3.8!) USER MOD Single : A 20 THR OG1 : rot 109:sc= 1.15 USER MOD Single : A 24 GLN : amide:sc=-0.00529 K(o=-0.0053,f=-1.9!) USER MOD Single : A 27 SER OG : rot -28:sc= 0.113 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 34 ASN : amide:sc= -1.59 K(o=-1.6,f=-9.1!) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.59! USER MOD Single : A 38 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.3) 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 43 ASN : amide:sc= -1.76 K(o=-1.8,f=-3.5!) 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 -90:sc= -0.0857 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 44:sc= 0.0919 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.75 K(o=-5.7,f=-19!) USER MOD Single : A 81 MET CE :methyl 179:sc= -0.751 (180deg=-0.755) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= -0.0344 (180deg=-0.307) USER MOD Single : A 83 SER OG : rot -48:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 3 9.134 0.311 8.188 1.00 0.00 N ATOM 12 CA GLN A 3 7.682 0.514 7.902 1.00 0.00 C ATOM 13 C GLN A 3 7.385 2.012 7.797 1.00 0.00 C ATOM 14 O GLN A 3 8.279 2.836 7.829 1.00 0.00 O ATOM 15 CB GLN A 3 6.852 -0.089 9.040 1.00 0.00 C ATOM 16 CG GLN A 3 7.349 0.454 10.383 1.00 0.00 C ATOM 17 CD GLN A 3 6.165 0.619 11.339 1.00 0.00 C ATOM 18 OE1 GLN A 3 5.655 -0.351 11.865 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.705 1.814 11.589 1.00 0.00 N ATOM 0 HA GLN A 3 7.425 0.026 6.962 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.799 0.156 8.905 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.931 -1.176 9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 3 8.084 -0.227 10.812 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.848 1.412 10.237 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.133 2.628 11.148 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.917 1.934 12.226 1.00 0.00 H new ATOM 28 N LYS A 4 6.131 2.365 7.674 1.00 0.00 N ATOM 29 CA LYS A 4 5.756 3.805 7.570 1.00 0.00 C ATOM 30 C LYS A 4 4.229 3.930 7.598 1.00 0.00 C ATOM 31 O LYS A 4 3.526 2.969 7.847 1.00 0.00 O ATOM 32 CB LYS A 4 6.296 4.383 6.256 1.00 0.00 C ATOM 33 CG LYS A 4 6.793 5.814 6.487 1.00 0.00 C ATOM 34 CD LYS A 4 6.452 6.681 5.273 1.00 0.00 C ATOM 35 CE LYS A 4 7.373 7.902 5.240 1.00 0.00 C ATOM 36 NZ LYS A 4 6.629 9.072 4.694 1.00 0.00 N ATOM 0 H LYS A 4 5.347 1.713 7.641 1.00 0.00 H new ATOM 0 HA LYS A 4 6.184 4.357 8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.109 3.761 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.514 4.377 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.332 6.229 7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.870 5.813 6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.566 6.102 4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.411 6.999 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.736 8.124 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.248 7.694 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.255 9.902 4.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.304 8.857 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.808 9.274 5.299 1.00 0.00 H new ATOM 50 N THR A 5 3.716 5.106 7.340 1.00 0.00 N ATOM 51 CA THR A 5 2.236 5.298 7.347 1.00 0.00 C ATOM 52 C THR A 5 1.835 6.201 6.178 1.00 0.00 C ATOM 53 O THR A 5 2.650 6.923 5.634 1.00 0.00 O ATOM 54 CB THR A 5 1.807 5.950 8.663 1.00 0.00 C ATOM 55 OG1 THR A 5 2.389 5.247 9.751 1.00 0.00 O ATOM 56 CG2 THR A 5 0.283 5.905 8.781 1.00 0.00 C ATOM 0 H THR A 5 4.260 5.942 7.125 1.00 0.00 H new ATOM 0 HA THR A 5 1.746 4.330 7.247 1.00 0.00 H new ATOM 0 HB THR A 5 2.141 6.987 8.681 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.116 5.665 10.594 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.023 6.369 9.718 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.163 6.445 7.946 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.053 4.868 8.763 1.00 0.00 H new ATOM 64 N PHE A 6 0.585 6.165 5.792 1.00 0.00 N ATOM 65 CA PHE A 6 0.123 7.017 4.659 1.00 0.00 C ATOM 66 C PHE A 6 -1.326 7.443 4.899 1.00 0.00 C ATOM 67 O PHE A 6 -2.185 6.623 5.168 1.00 0.00 O ATOM 68 CB PHE A 6 0.210 6.224 3.354 1.00 0.00 C ATOM 69 CG PHE A 6 1.656 5.929 3.043 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.268 4.787 3.574 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.387 6.799 2.225 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.610 4.514 3.288 1.00 0.00 C ATOM 73 CE2 PHE A 6 3.730 6.525 1.937 1.00 0.00 C ATOM 74 CZ PHE A 6 4.341 5.384 2.469 1.00 0.00 C ATOM 0 H PHE A 6 -0.136 5.580 6.215 1.00 0.00 H new ATOM 0 HA PHE A 6 0.756 7.902 4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.352 5.294 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.240 6.792 2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.704 4.116 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.916 7.681 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.082 3.633 3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.294 7.194 1.304 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.377 5.174 2.248 1.00 0.00 H new ATOM 84 N LYS A 7 -1.600 8.718 4.803 1.00 0.00 N ATOM 85 CA LYS A 7 -2.992 9.206 5.023 1.00 0.00 C ATOM 86 C LYS A 7 -3.676 9.415 3.671 1.00 0.00 C ATOM 87 O LYS A 7 -3.291 10.271 2.897 1.00 0.00 O ATOM 88 CB LYS A 7 -2.951 10.531 5.786 1.00 0.00 C ATOM 89 CG LYS A 7 -4.331 10.817 6.382 1.00 0.00 C ATOM 90 CD LYS A 7 -4.171 11.518 7.733 1.00 0.00 C ATOM 91 CE LYS A 7 -4.129 13.036 7.527 1.00 0.00 C ATOM 92 NZ LYS A 7 -2.722 13.514 7.637 1.00 0.00 N ATOM 0 H LYS A 7 -0.918 9.443 4.581 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.550 8.471 5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.203 10.484 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.657 11.340 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.909 11.443 5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.884 9.886 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.999 11.254 8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.256 11.182 8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.536 13.292 6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.752 13.532 8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.693 14.544 7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.349 13.282 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.140 13.050 6.911 1.00 0.00 H new ATOM 106 N VAL A 8 -4.688 8.635 3.384 1.00 0.00 N ATOM 107 CA VAL A 8 -5.405 8.780 2.083 1.00 0.00 C ATOM 108 C VAL A 8 -6.396 9.940 2.178 1.00 0.00 C ATOM 109 O VAL A 8 -7.341 9.900 2.942 1.00 0.00 O ATOM 110 CB VAL A 8 -6.162 7.488 1.769 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.762 7.577 0.364 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.198 6.301 1.836 1.00 0.00 C ATOM 0 H VAL A 8 -5.048 7.903 3.997 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.684 8.979 1.290 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.960 7.350 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.301 6.657 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.449 8.422 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.963 7.716 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.738 5.381 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.399 6.439 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.770 6.236 2.836 1.00 0.00 H new ATOM 122 N THR A 9 -6.184 10.975 1.405 1.00 0.00 N ATOM 123 CA THR A 9 -7.106 12.147 1.443 1.00 0.00 C ATOM 124 C THR A 9 -7.857 12.267 0.110 1.00 0.00 C ATOM 125 O THR A 9 -8.915 12.864 0.042 1.00 0.00 O ATOM 126 CB THR A 9 -6.298 13.424 1.686 1.00 0.00 C ATOM 127 OG1 THR A 9 -5.304 13.170 2.668 1.00 0.00 O ATOM 128 CG2 THR A 9 -7.229 14.535 2.175 1.00 0.00 C ATOM 0 H THR A 9 -5.409 11.057 0.747 1.00 0.00 H new ATOM 0 HA THR A 9 -7.826 12.008 2.249 1.00 0.00 H new ATOM 0 HB THR A 9 -5.822 13.737 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.783 13.985 2.825 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.652 15.444 2.348 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.993 14.728 1.421 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.707 14.226 3.105 1.00 0.00 H new ATOM 136 N ALA A 10 -7.321 11.705 -0.949 1.00 0.00 N ATOM 137 CA ALA A 10 -8.003 11.788 -2.278 1.00 0.00 C ATOM 138 C ALA A 10 -9.409 11.186 -2.178 1.00 0.00 C ATOM 139 O ALA A 10 -9.635 10.229 -1.460 1.00 0.00 O ATOM 140 CB ALA A 10 -7.190 11.012 -3.315 1.00 0.00 C ATOM 0 H ALA A 10 -6.439 11.192 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.080 12.833 -2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.685 11.071 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.191 11.442 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.113 9.968 -3.010 1.00 0.00 H new ATOM 146 N ASP A 11 -10.352 11.745 -2.892 1.00 0.00 N ATOM 147 CA ASP A 11 -11.748 11.218 -2.845 1.00 0.00 C ATOM 148 C ASP A 11 -11.773 9.791 -3.392 1.00 0.00 C ATOM 149 O ASP A 11 -10.846 9.360 -4.047 1.00 0.00 O ATOM 150 CB ASP A 11 -12.660 12.109 -3.694 1.00 0.00 C ATOM 151 CG ASP A 11 -12.072 12.257 -5.099 1.00 0.00 C ATOM 152 OD1 ASP A 11 -12.154 11.305 -5.858 1.00 0.00 O ATOM 153 OD2 ASP A 11 -11.551 13.320 -5.392 1.00 0.00 O ATOM 0 H ASP A 11 -10.214 12.547 -3.508 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.101 11.217 -1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.658 11.675 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.764 13.089 -3.228 1.00 0.00 H new ATOM 158 N SER A 12 -12.841 9.067 -3.119 1.00 0.00 N ATOM 159 CA SER A 12 -13.003 7.644 -3.592 1.00 0.00 C ATOM 160 C SER A 12 -12.313 6.679 -2.616 1.00 0.00 C ATOM 161 O SER A 12 -12.917 5.728 -2.155 1.00 0.00 O ATOM 162 CB SER A 12 -12.452 7.451 -5.021 1.00 0.00 C ATOM 163 OG SER A 12 -11.078 7.083 -4.971 1.00 0.00 O ATOM 0 H SER A 12 -13.630 9.413 -2.572 1.00 0.00 H new ATOM 0 HA SER A 12 -14.070 7.422 -3.619 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.024 6.681 -5.538 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.569 8.372 -5.592 1.00 0.00 H new ATOM 0 HG SER A 12 -10.524 7.891 -4.936 1.00 0.00 H new ATOM 169 N GLY A 13 -11.062 6.910 -2.292 1.00 0.00 N ATOM 170 CA GLY A 13 -10.353 6.004 -1.346 1.00 0.00 C ATOM 171 C GLY A 13 -9.347 5.141 -2.111 1.00 0.00 C ATOM 172 O GLY A 13 -8.527 5.643 -2.856 1.00 0.00 O ATOM 0 H GLY A 13 -10.505 7.689 -2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.839 6.589 -0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.072 5.369 -0.829 1.00 0.00 H new ATOM 176 N ILE A 14 -9.402 3.846 -1.923 1.00 0.00 N ATOM 177 CA ILE A 14 -8.448 2.942 -2.629 1.00 0.00 C ATOM 178 C ILE A 14 -9.229 1.880 -3.408 1.00 0.00 C ATOM 179 O ILE A 14 -10.051 1.172 -2.858 1.00 0.00 O ATOM 180 CB ILE A 14 -7.540 2.264 -1.601 1.00 0.00 C ATOM 181 CG1 ILE A 14 -6.865 3.336 -0.743 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.473 1.438 -2.320 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.097 2.670 0.399 1.00 0.00 C ATOM 0 H ILE A 14 -10.068 3.377 -1.310 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.841 3.522 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.135 1.606 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.185 3.930 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.613 4.019 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.828 0.957 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.955 0.677 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.874 2.091 -2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.617 3.435 1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.788 2.095 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.338 2.005 -0.012 1.00 0.00 H new ATOM 195 N HIS A 15 -8.973 1.770 -4.686 1.00 0.00 N ATOM 196 CA HIS A 15 -9.692 0.760 -5.521 1.00 0.00 C ATOM 197 C HIS A 15 -8.665 -0.055 -6.327 1.00 0.00 C ATOM 198 O HIS A 15 -7.483 -0.017 -6.045 1.00 0.00 O ATOM 199 CB HIS A 15 -10.706 1.458 -6.458 1.00 0.00 C ATOM 200 CG HIS A 15 -10.168 2.770 -6.975 1.00 0.00 C ATOM 201 ND1 HIS A 15 -9.993 3.011 -8.327 1.00 0.00 N ATOM 202 CD2 HIS A 15 -9.787 3.925 -6.337 1.00 0.00 C ATOM 203 CE1 HIS A 15 -9.525 4.266 -8.458 1.00 0.00 C ATOM 204 NE2 HIS A 15 -9.382 4.869 -7.276 1.00 0.00 N ATOM 0 H HIS A 15 -8.293 2.339 -5.190 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.250 0.083 -4.874 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.938 0.803 -7.297 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.639 1.632 -5.922 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.800 4.078 -5.268 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.293 4.729 -9.406 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.048 5.816 -7.099 1.00 0.00 H new ATOM 212 N ALA A 16 -9.108 -0.817 -7.298 1.00 0.00 N ATOM 213 CA ALA A 16 -8.164 -1.660 -8.094 1.00 0.00 C ATOM 214 C ALA A 16 -7.226 -0.800 -8.954 1.00 0.00 C ATOM 215 O ALA A 16 -6.185 -1.265 -9.378 1.00 0.00 O ATOM 216 CB ALA A 16 -8.970 -2.586 -9.008 1.00 0.00 C ATOM 0 H ALA A 16 -10.087 -0.891 -7.574 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.555 -2.237 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.288 -3.204 -9.592 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.612 -3.226 -8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.585 -1.988 -9.681 1.00 0.00 H new ATOM 222 N ARG A 17 -7.577 0.433 -9.232 1.00 0.00 N ATOM 223 CA ARG A 17 -6.686 1.288 -10.082 1.00 0.00 C ATOM 224 C ARG A 17 -5.353 1.549 -9.349 1.00 0.00 C ATOM 225 O ARG A 17 -4.307 1.185 -9.855 1.00 0.00 O ATOM 226 CB ARG A 17 -7.388 2.618 -10.404 1.00 0.00 C ATOM 227 CG ARG A 17 -7.560 2.767 -11.921 1.00 0.00 C ATOM 228 CD ARG A 17 -7.515 4.250 -12.298 1.00 0.00 C ATOM 229 NE ARG A 17 -8.483 4.514 -13.399 1.00 0.00 N ATOM 230 CZ ARG A 17 -8.058 4.969 -14.547 1.00 0.00 C ATOM 231 NH1 ARG A 17 -7.472 4.165 -15.391 1.00 0.00 N ATOM 232 NH2 ARG A 17 -8.218 6.228 -14.849 1.00 0.00 N ATOM 0 H ARG A 17 -8.434 0.882 -8.911 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.476 0.768 -11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.361 2.653 -9.914 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.804 3.451 -10.012 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.771 2.225 -12.442 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.508 2.330 -12.235 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.758 4.864 -11.431 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.508 4.526 -12.611 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.478 4.339 -13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.346 3.181 -15.154 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.140 4.521 -16.288 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.675 6.857 -14.189 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.886 6.584 -15.746 1.00 0.00 H new ATOM 246 N PRO A 18 -5.402 2.157 -8.174 1.00 0.00 N ATOM 247 CA PRO A 18 -4.176 2.437 -7.403 1.00 0.00 C ATOM 248 C PRO A 18 -3.617 1.142 -6.801 1.00 0.00 C ATOM 249 O PRO A 18 -2.448 1.060 -6.472 1.00 0.00 O ATOM 250 CB PRO A 18 -4.637 3.401 -6.308 1.00 0.00 C ATOM 251 CG PRO A 18 -6.159 3.190 -6.159 1.00 0.00 C ATOM 252 CD PRO A 18 -6.648 2.612 -7.501 1.00 0.00 C ATOM 0 HA PRO A 18 -3.376 2.858 -8.013 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.122 3.198 -5.369 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.412 4.433 -6.578 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.378 2.507 -5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.662 4.131 -5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.344 1.787 -7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.169 3.364 -8.093 1.00 0.00 H new ATOM 260 N ALA A 19 -4.440 0.130 -6.660 1.00 0.00 N ATOM 261 CA ALA A 19 -3.956 -1.160 -6.090 1.00 0.00 C ATOM 262 C ALA A 19 -3.141 -1.913 -7.147 1.00 0.00 C ATOM 263 O ALA A 19 -2.283 -2.712 -6.822 1.00 0.00 O ATOM 264 CB ALA A 19 -5.154 -2.013 -5.667 1.00 0.00 C ATOM 0 H ALA A 19 -5.427 0.145 -6.917 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.328 -0.960 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.800 -2.956 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.734 -1.478 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.783 -2.213 -6.535 1.00 0.00 H new ATOM 270 N THR A 20 -3.400 -1.662 -8.408 1.00 0.00 N ATOM 271 CA THR A 20 -2.638 -2.358 -9.487 1.00 0.00 C ATOM 272 C THR A 20 -1.281 -1.673 -9.666 1.00 0.00 C ATOM 273 O THR A 20 -0.288 -2.313 -9.959 1.00 0.00 O ATOM 274 CB THR A 20 -3.427 -2.293 -10.800 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.717 -2.854 -10.601 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.690 -3.082 -11.885 1.00 0.00 C ATOM 0 H THR A 20 -4.108 -1.004 -8.735 1.00 0.00 H new ATOM 0 HA THR A 20 -2.487 -3.402 -9.213 1.00 0.00 H new ATOM 0 HB THR A 20 -3.523 -1.254 -11.114 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.390 -2.142 -10.625 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.254 -3.033 -12.817 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.700 -2.653 -12.037 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.591 -4.122 -11.575 1.00 0.00 H new ATOM 284 N VAL A 21 -1.233 -0.377 -9.489 1.00 0.00 N ATOM 285 CA VAL A 21 0.059 0.354 -9.644 1.00 0.00 C ATOM 286 C VAL A 21 0.927 0.125 -8.404 1.00 0.00 C ATOM 287 O VAL A 21 2.143 0.124 -8.477 1.00 0.00 O ATOM 288 CB VAL A 21 -0.217 1.851 -9.805 1.00 0.00 C ATOM 289 CG1 VAL A 21 1.087 2.579 -10.137 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.222 2.066 -10.939 1.00 0.00 C ATOM 0 H VAL A 21 -2.033 0.206 -9.244 1.00 0.00 H new ATOM 0 HA VAL A 21 0.582 -0.015 -10.526 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.627 2.245 -8.875 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.890 3.645 -10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.804 2.427 -9.330 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.498 2.184 -11.066 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.419 3.132 -11.054 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.812 1.671 -11.868 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.152 1.549 -10.704 1.00 0.00 H new ATOM 300 N LEU A 22 0.310 -0.067 -7.265 1.00 0.00 N ATOM 301 CA LEU A 22 1.086 -0.293 -6.011 1.00 0.00 C ATOM 302 C LEU A 22 1.617 -1.728 -5.982 1.00 0.00 C ATOM 303 O LEU A 22 2.726 -1.977 -5.554 1.00 0.00 O ATOM 304 CB LEU A 22 0.178 -0.063 -4.802 1.00 0.00 C ATOM 305 CG LEU A 22 0.090 1.435 -4.507 1.00 0.00 C ATOM 306 CD1 LEU A 22 -0.992 1.686 -3.457 1.00 0.00 C ATOM 307 CD2 LEU A 22 1.439 1.926 -3.977 1.00 0.00 C ATOM 0 H LEU A 22 -0.704 -0.077 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 22 1.925 0.402 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.816 -0.465 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.570 -0.593 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.161 1.973 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.054 2.754 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.952 1.333 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.742 1.150 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.380 2.994 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.688 1.388 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.211 1.746 -4.725 1.00 0.00 H new ATOM 319 N VAL A 23 0.829 -2.672 -6.432 1.00 0.00 N ATOM 320 CA VAL A 23 1.281 -4.095 -6.431 1.00 0.00 C ATOM 321 C VAL A 23 2.453 -4.255 -7.410 1.00 0.00 C ATOM 322 O VAL A 23 3.325 -5.081 -7.216 1.00 0.00 O ATOM 323 CB VAL A 23 0.111 -4.999 -6.849 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.360 -4.628 -8.256 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.551 -6.465 -6.827 1.00 0.00 C ATOM 0 H VAL A 23 -0.109 -2.517 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 23 1.611 -4.381 -5.432 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.711 -4.858 -6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.189 -5.274 -8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.688 -3.589 -8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.462 -4.757 -8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.284 -7.100 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.380 -6.607 -7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.871 -6.734 -5.820 1.00 0.00 H new ATOM 335 N GLN A 24 2.472 -3.471 -8.457 1.00 0.00 N ATOM 336 CA GLN A 24 3.577 -3.568 -9.456 1.00 0.00 C ATOM 337 C GLN A 24 4.884 -3.087 -8.821 1.00 0.00 C ATOM 338 O GLN A 24 5.924 -3.697 -8.988 1.00 0.00 O ATOM 339 CB GLN A 24 3.248 -2.693 -10.668 1.00 0.00 C ATOM 340 CG GLN A 24 2.260 -3.429 -11.577 1.00 0.00 C ATOM 341 CD GLN A 24 3.031 -4.260 -12.602 1.00 0.00 C ATOM 342 OE1 GLN A 24 4.047 -4.847 -12.286 1.00 0.00 O ATOM 343 NE2 GLN A 24 2.590 -4.337 -13.828 1.00 0.00 N ATOM 0 H GLN A 24 1.766 -2.764 -8.663 1.00 0.00 H new ATOM 0 HA GLN A 24 3.687 -4.605 -9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.820 -1.745 -10.340 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.159 -2.458 -11.218 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.614 -4.074 -10.982 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.614 -2.713 -12.085 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.737 -3.845 -14.095 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.098 -4.889 -14.519 1.00 0.00 H new ATOM 352 N THR A 25 4.838 -1.996 -8.097 1.00 0.00 N ATOM 353 CA THR A 25 6.076 -1.468 -7.448 1.00 0.00 C ATOM 354 C THR A 25 6.613 -2.497 -6.451 1.00 0.00 C ATOM 355 O THR A 25 7.768 -2.876 -6.497 1.00 0.00 O ATOM 356 CB THR A 25 5.749 -0.168 -6.710 1.00 0.00 C ATOM 357 OG1 THR A 25 5.068 0.715 -7.590 1.00 0.00 O ATOM 358 CG2 THR A 25 7.044 0.487 -6.225 1.00 0.00 C ATOM 0 H THR A 25 3.995 -1.448 -7.928 1.00 0.00 H new ATOM 0 HA THR A 25 6.830 -1.276 -8.211 1.00 0.00 H new ATOM 0 HB THR A 25 5.114 -0.387 -5.852 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.698 1.379 -7.939 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.809 1.413 -5.700 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.564 -0.192 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.683 0.707 -7.080 1.00 0.00 H new ATOM 366 N ALA A 26 5.779 -2.949 -5.550 1.00 0.00 N ATOM 367 CA ALA A 26 6.224 -3.955 -4.539 1.00 0.00 C ATOM 368 C ALA A 26 6.536 -5.293 -5.224 1.00 0.00 C ATOM 369 O ALA A 26 7.201 -6.138 -4.658 1.00 0.00 O ATOM 370 CB ALA A 26 5.113 -4.159 -3.508 1.00 0.00 C ATOM 0 H ALA A 26 4.803 -2.663 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 26 7.126 -3.591 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.433 -4.892 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.899 -3.212 -3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.214 -4.518 -4.008 1.00 0.00 H new ATOM 376 N SER A 27 6.060 -5.495 -6.431 1.00 0.00 N ATOM 377 CA SER A 27 6.331 -6.780 -7.144 1.00 0.00 C ATOM 378 C SER A 27 7.834 -6.928 -7.424 1.00 0.00 C ATOM 379 O SER A 27 8.305 -8.006 -7.735 1.00 0.00 O ATOM 380 CB SER A 27 5.567 -6.796 -8.468 1.00 0.00 C ATOM 381 OG SER A 27 5.871 -7.996 -9.169 1.00 0.00 O ATOM 0 H SER A 27 5.495 -4.823 -6.951 1.00 0.00 H new ATOM 0 HA SER A 27 6.004 -7.608 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.495 -6.730 -8.284 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.841 -5.930 -9.070 1.00 0.00 H new ATOM 0 HG SER A 27 6.765 -8.306 -8.914 1.00 0.00 H new ATOM 387 N LYS A 28 8.590 -5.858 -7.324 1.00 0.00 N ATOM 388 CA LYS A 28 10.057 -5.944 -7.591 1.00 0.00 C ATOM 389 C LYS A 28 10.824 -6.242 -6.295 1.00 0.00 C ATOM 390 O LYS A 28 12.022 -6.038 -6.223 1.00 0.00 O ATOM 391 CB LYS A 28 10.540 -4.613 -8.163 1.00 0.00 C ATOM 392 CG LYS A 28 10.266 -4.575 -9.668 1.00 0.00 C ATOM 393 CD LYS A 28 10.219 -3.121 -10.143 1.00 0.00 C ATOM 394 CE LYS A 28 10.822 -3.022 -11.546 1.00 0.00 C ATOM 395 NZ LYS A 28 12.307 -2.940 -11.442 1.00 0.00 N ATOM 0 H LYS A 28 8.251 -4.930 -7.069 1.00 0.00 H new ATOM 0 HA LYS A 28 10.239 -6.750 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.030 -3.786 -7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.606 -4.489 -7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.044 -5.118 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.321 -5.071 -9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.189 -2.764 -10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.771 -2.484 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.535 -3.890 -12.139 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.433 -2.143 -12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.719 -2.873 -12.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.570 -2.098 -10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.669 -3.792 -10.968 1.00 0.00 H new ATOM 409 N TYR A 29 10.152 -6.721 -5.276 1.00 0.00 N ATOM 410 CA TYR A 29 10.849 -7.030 -3.993 1.00 0.00 C ATOM 411 C TYR A 29 10.311 -8.345 -3.428 1.00 0.00 C ATOM 412 O TYR A 29 9.115 -8.539 -3.317 1.00 0.00 O ATOM 413 CB TYR A 29 10.595 -5.900 -2.992 1.00 0.00 C ATOM 414 CG TYR A 29 11.010 -4.583 -3.606 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.089 -3.840 -4.353 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.315 -4.109 -3.429 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.474 -2.622 -4.925 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.700 -2.890 -4.001 1.00 0.00 C ATOM 419 CZ TYR A 29 11.779 -2.147 -4.750 1.00 0.00 C ATOM 420 OH TYR A 29 12.158 -0.946 -5.314 1.00 0.00 O ATOM 0 H TYR A 29 9.150 -6.911 -5.280 1.00 0.00 H new ATOM 0 HA TYR A 29 11.920 -7.123 -4.171 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.540 -5.871 -2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.156 -6.079 -2.075 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.082 -4.206 -4.488 1.00 0.00 H new ATOM 0 HD2 TYR A 29 13.025 -4.683 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.764 -2.048 -5.502 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.707 -2.523 -3.865 1.00 0.00 H new ATOM 0 HH TYR A 29 13.096 -0.763 -5.095 1.00 0.00 H new ATOM 430 N ASP A 30 11.187 -9.252 -3.076 1.00 0.00 N ATOM 431 CA ASP A 30 10.735 -10.562 -2.520 1.00 0.00 C ATOM 432 C ASP A 30 10.367 -10.422 -1.034 1.00 0.00 C ATOM 433 O ASP A 30 9.967 -11.383 -0.405 1.00 0.00 O ATOM 434 CB ASP A 30 11.861 -11.587 -2.667 1.00 0.00 C ATOM 435 CG ASP A 30 11.896 -12.103 -4.107 1.00 0.00 C ATOM 436 OD1 ASP A 30 10.995 -12.839 -4.474 1.00 0.00 O ATOM 437 OD2 ASP A 30 12.821 -11.750 -4.819 1.00 0.00 O ATOM 0 H ASP A 30 12.198 -9.141 -3.150 1.00 0.00 H new ATOM 0 HA ASP A 30 9.853 -10.891 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.817 -11.132 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.705 -12.416 -1.976 1.00 0.00 H new ATOM 442 N ALA A 31 10.493 -9.243 -0.467 1.00 0.00 N ATOM 443 CA ALA A 31 10.145 -9.062 0.973 1.00 0.00 C ATOM 444 C ALA A 31 8.649 -9.311 1.168 1.00 0.00 C ATOM 445 O ALA A 31 7.952 -9.705 0.250 1.00 0.00 O ATOM 446 CB ALA A 31 10.486 -7.635 1.404 1.00 0.00 C ATOM 0 H ALA A 31 10.822 -8.402 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 31 10.713 -9.769 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.232 -7.502 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.552 -7.457 1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.917 -6.927 0.801 1.00 0.00 H new ATOM 452 N ASP A 32 8.150 -9.084 2.357 1.00 0.00 N ATOM 453 CA ASP A 32 6.697 -9.304 2.619 1.00 0.00 C ATOM 454 C ASP A 32 6.006 -7.956 2.829 1.00 0.00 C ATOM 455 O ASP A 32 6.060 -7.381 3.899 1.00 0.00 O ATOM 456 CB ASP A 32 6.530 -10.164 3.875 1.00 0.00 C ATOM 457 CG ASP A 32 6.924 -11.608 3.562 1.00 0.00 C ATOM 458 OD1 ASP A 32 6.078 -12.341 3.078 1.00 0.00 O ATOM 459 OD2 ASP A 32 8.067 -11.957 3.812 1.00 0.00 O ATOM 0 H ASP A 32 8.688 -8.755 3.159 1.00 0.00 H new ATOM 0 HA ASP A 32 6.247 -9.813 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.151 -9.773 4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.497 -10.125 4.221 1.00 0.00 H new ATOM 464 N VAL A 33 5.355 -7.452 1.810 1.00 0.00 N ATOM 465 CA VAL A 33 4.655 -6.138 1.939 1.00 0.00 C ATOM 466 C VAL A 33 3.208 -6.370 2.392 1.00 0.00 C ATOM 467 O VAL A 33 2.431 -7.013 1.711 1.00 0.00 O ATOM 468 CB VAL A 33 4.679 -5.398 0.589 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.128 -5.223 0.133 1.00 0.00 C ATOM 470 CG2 VAL A 33 3.909 -6.192 -0.478 1.00 0.00 C ATOM 0 H VAL A 33 5.278 -7.894 0.894 1.00 0.00 H new ATOM 0 HA VAL A 33 5.166 -5.526 2.682 1.00 0.00 H new ATOM 0 HB VAL A 33 4.204 -4.425 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.148 -4.699 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.676 -4.643 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.595 -6.202 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.938 -5.652 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.369 -7.172 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.873 -6.316 -0.162 1.00 0.00 H new ATOM 480 N ASN A 34 2.846 -5.853 3.540 1.00 0.00 N ATOM 481 CA ASN A 34 1.454 -6.043 4.046 1.00 0.00 C ATOM 482 C ASN A 34 0.829 -4.683 4.358 1.00 0.00 C ATOM 483 O ASN A 34 1.515 -3.740 4.706 1.00 0.00 O ATOM 484 CB ASN A 34 1.483 -6.889 5.321 1.00 0.00 C ATOM 485 CG ASN A 34 2.006 -8.290 5.001 1.00 0.00 C ATOM 486 OD1 ASN A 34 2.834 -8.458 4.129 1.00 0.00 O ATOM 487 ND2 ASN A 34 1.552 -9.311 5.676 1.00 0.00 N ATOM 0 H ASN A 34 3.456 -5.307 4.148 1.00 0.00 H new ATOM 0 HA ASN A 34 0.862 -6.549 3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.119 -6.415 6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.482 -6.953 5.749 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.893 -10.250 5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.856 -9.170 6.409 1.00 0.00 H new ATOM 494 N LEU A 35 -0.471 -4.582 4.243 1.00 0.00 N ATOM 495 CA LEU A 35 -1.157 -3.289 4.540 1.00 0.00 C ATOM 496 C LEU A 35 -2.082 -3.475 5.744 1.00 0.00 C ATOM 497 O LEU A 35 -2.970 -4.306 5.731 1.00 0.00 O ATOM 498 CB LEU A 35 -1.981 -2.857 3.325 1.00 0.00 C ATOM 499 CG LEU A 35 -2.282 -1.360 3.421 1.00 0.00 C ATOM 500 CD1 LEU A 35 -2.416 -0.774 2.014 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.591 -1.154 4.186 1.00 0.00 C ATOM 0 H LEU A 35 -1.088 -5.342 3.955 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.414 -2.523 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.435 -3.071 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.911 -3.424 3.282 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.469 -0.858 3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.630 0.292 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.484 -0.922 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.229 -1.274 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.808 -0.088 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.403 -1.656 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.496 -1.571 5.188 1.00 0.00 H new ATOM 513 N GLU A 36 -1.875 -2.710 6.785 1.00 0.00 N ATOM 514 CA GLU A 36 -2.734 -2.839 7.999 1.00 0.00 C ATOM 515 C GLU A 36 -3.809 -1.750 7.989 1.00 0.00 C ATOM 516 O GLU A 36 -3.509 -0.571 8.029 1.00 0.00 O ATOM 517 CB GLU A 36 -1.869 -2.690 9.253 1.00 0.00 C ATOM 518 CG GLU A 36 -2.696 -3.043 10.492 1.00 0.00 C ATOM 519 CD GLU A 36 -3.258 -1.764 11.116 1.00 0.00 C ATOM 520 OE1 GLU A 36 -4.308 -1.325 10.676 1.00 0.00 O ATOM 521 OE2 GLU A 36 -2.628 -1.243 12.022 1.00 0.00 O ATOM 0 H GLU A 36 -1.146 -2.000 6.846 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.213 -3.818 8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.999 -3.343 9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.496 -1.669 9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.510 -3.714 10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.076 -3.571 11.217 1.00 0.00 H new ATOM 528 N TYR A 37 -5.058 -2.139 7.941 1.00 0.00 N ATOM 529 CA TYR A 37 -6.162 -1.133 7.933 1.00 0.00 C ATOM 530 C TYR A 37 -7.445 -1.765 8.483 1.00 0.00 C ATOM 531 O TYR A 37 -7.700 -2.939 8.297 1.00 0.00 O ATOM 532 CB TYR A 37 -6.408 -0.650 6.501 1.00 0.00 C ATOM 533 CG TYR A 37 -7.394 0.492 6.527 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.011 1.733 7.047 1.00 0.00 C ATOM 535 CD2 TYR A 37 -8.693 0.306 6.040 1.00 0.00 C ATOM 536 CE1 TYR A 37 -7.928 2.790 7.079 1.00 0.00 C ATOM 537 CE2 TYR A 37 -9.609 1.362 6.071 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.227 2.606 6.591 1.00 0.00 C ATOM 539 OH TYR A 37 -10.130 3.649 6.626 1.00 0.00 O ATOM 0 H TYR A 37 -5.361 -3.112 7.907 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.878 -0.287 8.560 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.471 -0.327 6.047 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.794 -1.466 5.890 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.009 1.875 7.423 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.988 -0.653 5.640 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.633 3.748 7.481 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.611 1.219 5.694 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.985 3.354 6.248 1.00 0.00 H new ATOM 549 N ASN A 38 -8.258 -0.983 9.150 1.00 0.00 N ATOM 550 CA ASN A 38 -9.536 -1.507 9.714 1.00 0.00 C ATOM 551 C ASN A 38 -9.249 -2.672 10.670 1.00 0.00 C ATOM 552 O ASN A 38 -10.045 -3.581 10.809 1.00 0.00 O ATOM 553 CB ASN A 38 -10.432 -1.979 8.562 1.00 0.00 C ATOM 554 CG ASN A 38 -11.702 -1.125 8.503 1.00 0.00 C ATOM 555 OD1 ASN A 38 -11.688 0.032 8.874 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.808 -1.649 8.049 1.00 0.00 N ATOM 0 H ASN A 38 -8.087 0.007 9.328 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.042 -0.719 10.271 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.892 -1.908 7.618 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.695 -3.028 8.701 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.658 -1.087 8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.822 -2.620 7.737 1.00 0.00 H new ATOM 563 N GLY A 39 -8.119 -2.644 11.330 1.00 0.00 N ATOM 564 CA GLY A 39 -7.772 -3.741 12.283 1.00 0.00 C ATOM 565 C GLY A 39 -7.674 -5.067 11.534 1.00 0.00 C ATOM 566 O GLY A 39 -8.049 -6.107 12.043 1.00 0.00 O ATOM 0 H GLY A 39 -7.420 -1.906 11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.825 -3.521 12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.529 -3.809 13.064 1.00 0.00 H new ATOM 570 N LYS A 40 -7.159 -5.037 10.335 1.00 0.00 N ATOM 571 CA LYS A 40 -7.015 -6.292 9.546 1.00 0.00 C ATOM 572 C LYS A 40 -5.661 -6.289 8.845 1.00 0.00 C ATOM 573 O LYS A 40 -5.185 -5.265 8.394 1.00 0.00 O ATOM 574 CB LYS A 40 -8.124 -6.385 8.499 1.00 0.00 C ATOM 575 CG LYS A 40 -9.436 -6.835 9.160 1.00 0.00 C ATOM 576 CD LYS A 40 -9.892 -8.170 8.560 1.00 0.00 C ATOM 577 CE LYS A 40 -8.890 -9.266 8.927 1.00 0.00 C ATOM 578 NZ LYS A 40 -8.755 -10.215 7.786 1.00 0.00 N ATOM 0 H LYS A 40 -6.830 -4.193 9.866 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.087 -7.148 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.263 -5.417 8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.840 -7.091 7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.294 -6.939 10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.206 -6.078 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.883 -8.429 8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.972 -8.085 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.922 -8.825 9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.225 -9.797 9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.074 -10.961 8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.680 -10.645 7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.417 -9.703 6.946 1.00 0.00 H new ATOM 592 N THR A 41 -5.042 -7.431 8.751 1.00 0.00 N ATOM 593 CA THR A 41 -3.713 -7.516 8.079 1.00 0.00 C ATOM 594 C THR A 41 -3.868 -8.233 6.736 1.00 0.00 C ATOM 595 O THR A 41 -3.929 -9.447 6.673 1.00 0.00 O ATOM 596 CB THR A 41 -2.739 -8.297 8.967 1.00 0.00 C ATOM 597 OG1 THR A 41 -2.999 -7.995 10.331 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.303 -7.904 8.620 1.00 0.00 C ATOM 0 H THR A 41 -5.400 -8.315 9.112 1.00 0.00 H new ATOM 0 HA THR A 41 -3.324 -6.511 7.913 1.00 0.00 H new ATOM 0 HB THR A 41 -2.871 -9.366 8.800 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.378 -8.495 10.901 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.611 -8.460 9.252 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.105 -8.136 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.168 -6.835 8.787 1.00 0.00 H new ATOM 606 N VAL A 42 -3.932 -7.487 5.661 1.00 0.00 N ATOM 607 CA VAL A 42 -4.084 -8.114 4.315 1.00 0.00 C ATOM 608 C VAL A 42 -2.765 -8.001 3.549 1.00 0.00 C ATOM 609 O VAL A 42 -1.760 -7.572 4.086 1.00 0.00 O ATOM 610 CB VAL A 42 -5.191 -7.397 3.537 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.539 -7.650 4.214 1.00 0.00 C ATOM 612 CG2 VAL A 42 -4.908 -5.893 3.513 1.00 0.00 C ATOM 0 H VAL A 42 -3.885 -6.468 5.659 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.348 -9.165 4.432 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.220 -7.778 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.326 -7.139 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.743 -8.721 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.510 -7.271 5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.696 -5.383 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.877 -5.512 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.948 -5.711 3.029 1.00 0.00 H new ATOM 622 N ASN A 43 -2.762 -8.385 2.297 1.00 0.00 N ATOM 623 CA ASN A 43 -1.511 -8.305 1.486 1.00 0.00 C ATOM 624 C ASN A 43 -1.667 -7.230 0.410 1.00 0.00 C ATOM 625 O ASN A 43 -2.689 -7.138 -0.242 1.00 0.00 O ATOM 626 CB ASN A 43 -1.250 -9.658 0.820 1.00 0.00 C ATOM 627 CG ASN A 43 0.197 -9.714 0.326 1.00 0.00 C ATOM 628 OD1 ASN A 43 1.057 -9.033 0.847 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.504 -10.506 -0.666 1.00 0.00 N ATOM 0 H ASN A 43 -3.575 -8.751 1.801 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.673 -8.050 2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.435 -10.466 1.528 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.936 -9.803 -0.015 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.466 -10.552 -1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.218 -11.078 -1.104 1.00 0.00 H new ATOM 636 N LEU A 44 -0.655 -6.419 0.220 1.00 0.00 N ATOM 637 CA LEU A 44 -0.733 -5.347 -0.818 1.00 0.00 C ATOM 638 C LEU A 44 -0.725 -5.973 -2.218 1.00 0.00 C ATOM 639 O LEU A 44 -1.135 -5.351 -3.180 1.00 0.00 O ATOM 640 CB LEU A 44 0.466 -4.408 -0.671 1.00 0.00 C ATOM 641 CG LEU A 44 0.305 -3.211 -1.620 1.00 0.00 C ATOM 642 CD1 LEU A 44 0.733 -1.926 -0.907 1.00 0.00 C ATOM 643 CD2 LEU A 44 1.182 -3.418 -2.860 1.00 0.00 C ATOM 0 H LEU A 44 0.222 -6.454 0.740 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.657 -4.785 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.544 -4.060 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.389 -4.942 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.740 -3.129 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.617 -1.079 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.110 -1.774 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.777 -2.008 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.067 -2.568 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.226 -3.503 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.878 -4.330 -3.373 1.00 0.00 H new ATOM 655 N LYS A 45 -0.264 -7.196 -2.343 1.00 0.00 N ATOM 656 CA LYS A 45 -0.232 -7.857 -3.682 1.00 0.00 C ATOM 657 C LYS A 45 -1.591 -8.506 -3.996 1.00 0.00 C ATOM 658 O LYS A 45 -1.727 -9.213 -4.978 1.00 0.00 O ATOM 659 CB LYS A 45 0.854 -8.935 -3.689 1.00 0.00 C ATOM 660 CG LYS A 45 2.233 -8.274 -3.766 1.00 0.00 C ATOM 661 CD LYS A 45 3.308 -9.351 -3.929 1.00 0.00 C ATOM 662 CE LYS A 45 3.517 -9.644 -5.416 1.00 0.00 C ATOM 663 NZ LYS A 45 4.786 -10.403 -5.599 1.00 0.00 N ATOM 0 H LYS A 45 0.091 -7.763 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.017 -7.104 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.781 -9.544 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.712 -9.603 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.269 -7.580 -4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.420 -7.692 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.243 -9.018 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.009 -10.260 -3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.677 -10.219 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.554 -8.712 -5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.929 -10.602 -6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.583 -9.838 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.734 -11.299 -5.073 1.00 0.00 H new ATOM 677 N SER A 46 -2.598 -8.277 -3.181 1.00 0.00 N ATOM 678 CA SER A 46 -3.937 -8.883 -3.449 1.00 0.00 C ATOM 679 C SER A 46 -4.879 -7.812 -4.001 1.00 0.00 C ATOM 680 O SER A 46 -5.048 -6.760 -3.413 1.00 0.00 O ATOM 681 CB SER A 46 -4.514 -9.445 -2.150 1.00 0.00 C ATOM 682 OG SER A 46 -5.342 -10.560 -2.450 1.00 0.00 O ATOM 0 H SER A 46 -2.546 -7.697 -2.344 1.00 0.00 H new ATOM 0 HA SER A 46 -3.831 -9.687 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.708 -9.745 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.090 -8.678 -1.632 1.00 0.00 H new ATOM 0 HG SER A 46 -5.713 -10.925 -1.620 1.00 0.00 H new ATOM 688 N ILE A 47 -5.492 -8.076 -5.124 1.00 0.00 N ATOM 689 CA ILE A 47 -6.429 -7.083 -5.725 1.00 0.00 C ATOM 690 C ILE A 47 -7.860 -7.429 -5.306 1.00 0.00 C ATOM 691 O ILE A 47 -8.682 -6.557 -5.093 1.00 0.00 O ATOM 692 CB ILE A 47 -6.312 -7.131 -7.252 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.849 -6.904 -7.662 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.191 -6.038 -7.869 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.485 -7.843 -8.815 1.00 0.00 C ATOM 0 H ILE A 47 -5.383 -8.941 -5.653 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.179 -6.081 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.642 -8.106 -7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.703 -5.867 -7.965 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.191 -7.084 -6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.107 -6.073 -8.955 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.229 -6.200 -7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.863 -5.062 -7.511 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.447 -7.679 -9.103 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.615 -8.877 -8.497 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.134 -7.642 -9.667 1.00 0.00 H new ATOM 707 N MET A 48 -8.153 -8.697 -5.180 1.00 0.00 N ATOM 708 CA MET A 48 -9.523 -9.119 -4.768 1.00 0.00 C ATOM 709 C MET A 48 -9.615 -9.145 -3.236 1.00 0.00 C ATOM 710 O MET A 48 -10.691 -9.066 -2.672 1.00 0.00 O ATOM 711 CB MET A 48 -9.812 -10.516 -5.321 1.00 0.00 C ATOM 712 CG MET A 48 -11.289 -10.860 -5.102 1.00 0.00 C ATOM 713 SD MET A 48 -11.482 -11.750 -3.537 1.00 0.00 S ATOM 714 CE MET A 48 -12.997 -12.641 -3.971 1.00 0.00 C ATOM 0 H MET A 48 -7.498 -9.461 -5.346 1.00 0.00 H new ATOM 0 HA MET A 48 -10.254 -8.413 -5.161 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.573 -10.554 -6.384 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.179 -11.252 -4.825 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.887 -9.949 -5.089 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.656 -11.471 -5.927 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.304 -13.266 -3.133 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.787 -11.926 -4.199 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.813 -13.269 -4.843 1.00 0.00 H new ATOM 724 N GLY A 49 -8.497 -9.259 -2.560 1.00 0.00 N ATOM 725 CA GLY A 49 -8.514 -9.296 -1.069 1.00 0.00 C ATOM 726 C GLY A 49 -8.663 -7.877 -0.502 1.00 0.00 C ATOM 727 O GLY A 49 -9.064 -7.700 0.633 1.00 0.00 O ATOM 0 H GLY A 49 -7.571 -9.328 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.337 -9.921 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.594 -9.748 -0.699 1.00 0.00 H new ATOM 731 N VAL A 50 -8.336 -6.867 -1.274 1.00 0.00 N ATOM 732 CA VAL A 50 -8.453 -5.467 -0.769 1.00 0.00 C ATOM 733 C VAL A 50 -9.880 -4.951 -0.984 1.00 0.00 C ATOM 734 O VAL A 50 -10.381 -4.159 -0.207 1.00 0.00 O ATOM 735 CB VAL A 50 -7.466 -4.567 -1.521 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.484 -3.164 -0.911 1.00 0.00 C ATOM 737 CG2 VAL A 50 -6.055 -5.149 -1.406 1.00 0.00 C ATOM 0 H VAL A 50 -7.994 -6.955 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.223 -5.452 0.296 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.756 -4.512 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.782 -2.525 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.488 -2.746 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.196 -3.220 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.353 -4.509 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.769 -5.204 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.037 -6.149 -1.840 1.00 0.00 H new ATOM 747 N VAL A 51 -10.534 -5.389 -2.030 1.00 0.00 N ATOM 748 CA VAL A 51 -11.928 -4.920 -2.296 1.00 0.00 C ATOM 749 C VAL A 51 -12.849 -5.342 -1.140 1.00 0.00 C ATOM 750 O VAL A 51 -13.875 -4.731 -0.907 1.00 0.00 O ATOM 751 CB VAL A 51 -12.424 -5.515 -3.624 1.00 0.00 C ATOM 752 CG1 VAL A 51 -12.406 -7.045 -3.557 1.00 0.00 C ATOM 753 CG2 VAL A 51 -13.852 -5.034 -3.910 1.00 0.00 C ATOM 0 H VAL A 51 -10.163 -6.051 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.940 -3.833 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.762 -5.184 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.759 -7.455 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.389 -7.389 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.057 -7.382 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.197 -5.459 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -14.512 -5.354 -3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.863 -3.946 -3.977 1.00 0.00 H new ATOM 763 N SER A 52 -12.490 -6.377 -0.419 1.00 0.00 N ATOM 764 CA SER A 52 -13.343 -6.832 0.719 1.00 0.00 C ATOM 765 C SER A 52 -13.321 -5.774 1.822 1.00 0.00 C ATOM 766 O SER A 52 -14.317 -5.526 2.476 1.00 0.00 O ATOM 767 CB SER A 52 -12.803 -8.153 1.266 1.00 0.00 C ATOM 768 OG SER A 52 -11.395 -8.053 1.426 1.00 0.00 O ATOM 0 H SER A 52 -11.643 -6.925 -0.571 1.00 0.00 H new ATOM 0 HA SER A 52 -14.366 -6.976 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.274 -8.384 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.046 -8.969 0.585 1.00 0.00 H new ATOM 0 HG SER A 52 -10.951 -8.338 0.600 1.00 0.00 H new ATOM 774 N LEU A 53 -12.190 -5.150 2.031 1.00 0.00 N ATOM 775 CA LEU A 53 -12.089 -4.103 3.089 1.00 0.00 C ATOM 776 C LEU A 53 -13.009 -2.932 2.736 1.00 0.00 C ATOM 777 O LEU A 53 -13.860 -2.544 3.514 1.00 0.00 O ATOM 778 CB LEU A 53 -10.646 -3.606 3.176 1.00 0.00 C ATOM 779 CG LEU A 53 -9.870 -4.465 4.177 1.00 0.00 C ATOM 780 CD1 LEU A 53 -8.390 -4.080 4.139 1.00 0.00 C ATOM 781 CD2 LEU A 53 -10.423 -4.227 5.584 1.00 0.00 C ATOM 0 H LEU A 53 -11.329 -5.322 1.512 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.388 -4.525 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.173 -3.655 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.628 -2.561 3.486 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.978 -5.518 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.837 -4.691 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.997 -4.246 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.281 -3.028 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.872 -4.838 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.313 -3.174 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.478 -4.499 5.611 1.00 0.00 H new ATOM 793 N GLY A 54 -12.842 -2.372 1.565 1.00 0.00 N ATOM 794 CA GLY A 54 -13.700 -1.227 1.147 1.00 0.00 C ATOM 795 C GLY A 54 -13.178 0.066 1.777 1.00 0.00 C ATOM 796 O GLY A 54 -13.898 0.761 2.470 1.00 0.00 O ATOM 0 H GLY A 54 -12.145 -2.661 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.701 -1.139 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.731 -1.402 1.454 1.00 0.00 H new ATOM 800 N ILE A 55 -11.934 0.394 1.537 1.00 0.00 N ATOM 801 CA ILE A 55 -11.359 1.640 2.112 1.00 0.00 C ATOM 802 C ILE A 55 -11.870 2.839 1.316 1.00 0.00 C ATOM 803 O ILE A 55 -11.988 2.788 0.106 1.00 0.00 O ATOM 804 CB ILE A 55 -9.830 1.594 2.039 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.325 0.279 2.640 1.00 0.00 C ATOM 806 CG2 ILE A 55 -9.250 2.769 2.828 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.809 0.174 2.447 1.00 0.00 C ATOM 0 H ILE A 55 -11.291 -0.153 0.964 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.662 1.730 3.155 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.515 1.660 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.571 0.235 3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.822 -0.565 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.162 2.739 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.607 3.706 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.567 2.701 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.452 -0.762 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.575 0.199 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.320 1.011 2.945 1.00 0.00 H new ATOM 819 N ALA A 56 -12.176 3.910 1.991 1.00 0.00 N ATOM 820 CA ALA A 56 -12.687 5.126 1.292 1.00 0.00 C ATOM 821 C ALA A 56 -11.781 6.318 1.604 1.00 0.00 C ATOM 822 O ALA A 56 -10.725 6.170 2.189 1.00 0.00 O ATOM 823 CB ALA A 56 -14.108 5.426 1.772 1.00 0.00 C ATOM 0 H ALA A 56 -12.094 3.998 3.004 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.693 4.950 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.484 6.314 1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.755 4.578 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.099 5.601 2.848 1.00 0.00 H new ATOM 829 N LYS A 57 -12.190 7.500 1.215 1.00 0.00 N ATOM 830 CA LYS A 57 -11.362 8.712 1.483 1.00 0.00 C ATOM 831 C LYS A 57 -11.232 8.920 2.993 1.00 0.00 C ATOM 832 O LYS A 57 -12.039 8.437 3.765 1.00 0.00 O ATOM 833 CB LYS A 57 -12.030 9.937 0.854 1.00 0.00 C ATOM 834 CG LYS A 57 -13.479 10.036 1.336 1.00 0.00 C ATOM 835 CD LYS A 57 -13.984 11.468 1.148 1.00 0.00 C ATOM 836 CE LYS A 57 -14.999 11.805 2.243 1.00 0.00 C ATOM 837 NZ LYS A 57 -14.313 12.537 3.346 1.00 0.00 N ATOM 0 H LYS A 57 -13.065 7.676 0.722 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.371 8.576 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.484 10.841 1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.002 9.861 -0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.107 9.342 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.544 9.751 2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.148 12.167 1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.445 11.575 0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.804 12.415 1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.454 10.892 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.001 12.767 4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.560 11.940 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.899 13.416 2.975 1.00 0.00 H new ATOM 851 N GLY A 58 -10.221 9.635 3.416 1.00 0.00 N ATOM 852 CA GLY A 58 -10.028 9.879 4.877 1.00 0.00 C ATOM 853 C GLY A 58 -9.768 8.547 5.582 1.00 0.00 C ATOM 854 O GLY A 58 -10.404 8.223 6.567 1.00 0.00 O ATOM 0 H GLY A 58 -9.519 10.061 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.190 10.558 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.912 10.359 5.297 1.00 0.00 H new ATOM 858 N ALA A 59 -8.839 7.774 5.081 1.00 0.00 N ATOM 859 CA ALA A 59 -8.531 6.457 5.710 1.00 0.00 C ATOM 860 C ALA A 59 -7.027 6.352 5.972 1.00 0.00 C ATOM 861 O ALA A 59 -6.225 6.401 5.059 1.00 0.00 O ATOM 862 CB ALA A 59 -8.963 5.332 4.768 1.00 0.00 C ATOM 0 H ALA A 59 -8.279 8.001 4.259 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.069 6.371 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.739 4.368 5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.034 5.405 4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.424 5.420 3.825 1.00 0.00 H new ATOM 868 N GLU A 60 -6.642 6.207 7.215 1.00 0.00 N ATOM 869 CA GLU A 60 -5.191 6.098 7.549 1.00 0.00 C ATOM 870 C GLU A 60 -4.760 4.630 7.484 1.00 0.00 C ATOM 871 O GLU A 60 -5.208 3.810 8.263 1.00 0.00 O ATOM 872 CB GLU A 60 -4.951 6.636 8.961 1.00 0.00 C ATOM 873 CG GLU A 60 -5.175 8.150 8.976 1.00 0.00 C ATOM 874 CD GLU A 60 -4.988 8.678 10.399 1.00 0.00 C ATOM 875 OE1 GLU A 60 -3.890 8.556 10.916 1.00 0.00 O ATOM 876 OE2 GLU A 60 -5.947 9.196 10.949 1.00 0.00 O ATOM 0 H GLU A 60 -7.273 6.159 8.015 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.610 6.680 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.626 6.151 9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.935 6.405 9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.474 8.639 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.178 8.384 8.619 1.00 0.00 H new ATOM 883 N ILE A 61 -3.893 4.298 6.562 1.00 0.00 N ATOM 884 CA ILE A 61 -3.425 2.887 6.439 1.00 0.00 C ATOM 885 C ILE A 61 -1.950 2.805 6.838 1.00 0.00 C ATOM 886 O ILE A 61 -1.266 3.808 6.924 1.00 0.00 O ATOM 887 CB ILE A 61 -3.587 2.417 4.992 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.893 3.407 4.053 1.00 0.00 C ATOM 889 CG2 ILE A 61 -5.074 2.343 4.643 1.00 0.00 C ATOM 890 CD1 ILE A 61 -2.426 2.676 2.793 1.00 0.00 C ATOM 0 H ILE A 61 -3.488 4.947 5.887 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.018 2.250 7.095 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.137 1.431 4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.578 4.212 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.042 3.866 4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.190 2.008 3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.570 1.639 5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.524 3.329 4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.932 3.382 2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.727 1.887 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.286 2.238 2.286 1.00 0.00 H new ATOM 902 N THR A 62 -1.457 1.617 7.082 1.00 0.00 N ATOM 903 CA THR A 62 -0.025 1.463 7.478 1.00 0.00 C ATOM 904 C THR A 62 0.654 0.446 6.558 1.00 0.00 C ATOM 905 O THR A 62 0.001 -0.338 5.896 1.00 0.00 O ATOM 906 CB THR A 62 0.056 0.973 8.925 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.854 1.715 9.726 1.00 0.00 O ATOM 908 CG2 THR A 62 1.478 1.167 9.452 1.00 0.00 C ATOM 0 H THR A 62 -1.985 0.746 7.024 1.00 0.00 H new ATOM 0 HA THR A 62 0.479 2.425 7.391 1.00 0.00 H new ATOM 0 HB THR A 62 -0.203 -0.085 8.966 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.805 1.401 10.653 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.535 0.818 10.483 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.175 0.598 8.837 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.740 2.224 9.412 1.00 0.00 H new ATOM 916 N ILE A 63 1.962 0.456 6.517 1.00 0.00 N ATOM 917 CA ILE A 63 2.698 -0.505 5.644 1.00 0.00 C ATOM 918 C ILE A 63 3.915 -1.047 6.398 1.00 0.00 C ATOM 919 O ILE A 63 4.576 -0.328 7.121 1.00 0.00 O ATOM 920 CB ILE A 63 3.153 0.217 4.373 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.933 0.809 3.666 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.856 -0.772 3.437 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.390 1.676 2.491 1.00 0.00 C ATOM 0 H ILE A 63 2.553 1.091 7.053 1.00 0.00 H new ATOM 0 HA ILE A 63 2.045 -1.335 5.374 1.00 0.00 H new ATOM 0 HB ILE A 63 3.848 1.014 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.283 0.010 3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.349 1.406 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.178 -0.253 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.725 -1.195 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.166 -1.572 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.519 2.097 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.022 2.484 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.955 1.066 1.787 1.00 0.00 H new ATOM 935 N SER A 64 4.213 -2.310 6.227 1.00 0.00 N ATOM 936 CA SER A 64 5.387 -2.911 6.926 1.00 0.00 C ATOM 937 C SER A 64 6.023 -3.978 6.032 1.00 0.00 C ATOM 938 O SER A 64 5.390 -4.951 5.667 1.00 0.00 O ATOM 939 CB SER A 64 4.925 -3.552 8.236 1.00 0.00 C ATOM 940 OG SER A 64 3.711 -4.257 8.012 1.00 0.00 O ATOM 0 H SER A 64 3.691 -2.952 5.631 1.00 0.00 H new ATOM 0 HA SER A 64 6.120 -2.133 7.140 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.690 -4.232 8.611 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.779 -2.786 8.997 1.00 0.00 H new ATOM 0 HG SER A 64 3.778 -4.768 7.178 1.00 0.00 H new ATOM 946 N ALA A 65 7.271 -3.799 5.678 1.00 0.00 N ATOM 947 CA ALA A 65 7.960 -4.798 4.808 1.00 0.00 C ATOM 948 C ALA A 65 8.908 -5.649 5.658 1.00 0.00 C ATOM 949 O ALA A 65 9.693 -5.132 6.432 1.00 0.00 O ATOM 950 CB ALA A 65 8.762 -4.067 3.729 1.00 0.00 C ATOM 0 H ALA A 65 7.843 -3.001 5.955 1.00 0.00 H new ATOM 0 HA ALA A 65 7.217 -5.442 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.265 -4.796 3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.089 -3.461 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.504 -3.423 4.201 1.00 0.00 H new ATOM 956 N SER A 66 8.838 -6.948 5.518 1.00 0.00 N ATOM 957 CA SER A 66 9.730 -7.843 6.315 1.00 0.00 C ATOM 958 C SER A 66 10.328 -8.914 5.401 1.00 0.00 C ATOM 959 O SER A 66 9.642 -9.819 4.962 1.00 0.00 O ATOM 960 CB SER A 66 8.919 -8.516 7.422 1.00 0.00 C ATOM 961 OG SER A 66 7.894 -7.632 7.858 1.00 0.00 O ATOM 0 H SER A 66 8.200 -7.429 4.884 1.00 0.00 H new ATOM 0 HA SER A 66 10.533 -7.253 6.758 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.482 -9.445 7.055 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.569 -8.777 8.257 1.00 0.00 H new ATOM 0 HG SER A 66 7.371 -8.062 8.567 1.00 0.00 H new ATOM 967 N GLY A 67 11.602 -8.819 5.114 1.00 0.00 N ATOM 968 CA GLY A 67 12.251 -9.831 4.229 1.00 0.00 C ATOM 969 C GLY A 67 13.715 -9.450 4.004 1.00 0.00 C ATOM 970 O GLY A 67 14.399 -9.017 4.913 1.00 0.00 O ATOM 0 H GLY A 67 12.220 -8.083 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.187 -10.820 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.727 -9.884 3.274 1.00 0.00 H new ATOM 974 N ALA A 68 14.197 -9.607 2.798 1.00 0.00 N ATOM 975 CA ALA A 68 15.617 -9.255 2.501 1.00 0.00 C ATOM 976 C ALA A 68 15.689 -7.805 2.017 1.00 0.00 C ATOM 977 O ALA A 68 16.422 -6.999 2.558 1.00 0.00 O ATOM 978 CB ALA A 68 16.156 -10.184 1.412 1.00 0.00 C ATOM 0 H ALA A 68 13.666 -9.965 2.004 1.00 0.00 H new ATOM 0 HA ALA A 68 16.218 -9.369 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.193 -9.927 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.102 -11.217 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.557 -10.071 0.508 1.00 0.00 H new ATOM 984 N ASP A 69 14.930 -7.470 1.004 1.00 0.00 N ATOM 985 CA ASP A 69 14.945 -6.072 0.478 1.00 0.00 C ATOM 986 C ASP A 69 13.768 -5.291 1.068 1.00 0.00 C ATOM 987 O ASP A 69 13.107 -4.533 0.384 1.00 0.00 O ATOM 988 CB ASP A 69 14.837 -6.092 -1.052 1.00 0.00 C ATOM 989 CG ASP A 69 13.652 -6.962 -1.484 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.685 -7.028 -0.743 1.00 0.00 O ATOM 991 OD2 ASP A 69 13.734 -7.549 -2.551 1.00 0.00 O ATOM 0 H ASP A 69 14.299 -8.107 0.518 1.00 0.00 H new ATOM 0 HA ASP A 69 15.879 -5.589 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.710 -5.077 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.759 -6.479 -1.485 1.00 0.00 H new ATOM 996 N GLU A 70 13.504 -5.474 2.337 1.00 0.00 N ATOM 997 CA GLU A 70 12.373 -4.749 2.987 1.00 0.00 C ATOM 998 C GLU A 70 12.663 -3.245 3.001 1.00 0.00 C ATOM 999 O GLU A 70 11.758 -2.433 3.011 1.00 0.00 O ATOM 1000 CB GLU A 70 12.204 -5.253 4.424 1.00 0.00 C ATOM 1001 CG GLU A 70 13.525 -5.093 5.190 1.00 0.00 C ATOM 1002 CD GLU A 70 13.452 -3.862 6.099 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.786 -2.911 5.724 1.00 0.00 O ATOM 1004 OE2 GLU A 70 14.064 -3.893 7.154 1.00 0.00 O ATOM 0 H GLU A 70 14.026 -6.097 2.953 1.00 0.00 H new ATOM 0 HA GLU A 70 11.456 -4.932 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.413 -4.694 4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.901 -6.300 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.721 -5.985 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.353 -4.990 4.488 1.00 0.00 H new ATOM 1011 N ASN A 71 13.918 -2.870 3.010 1.00 0.00 N ATOM 1012 CA ASN A 71 14.275 -1.420 3.033 1.00 0.00 C ATOM 1013 C ASN A 71 13.903 -0.769 1.697 1.00 0.00 C ATOM 1014 O ASN A 71 13.330 0.302 1.661 1.00 0.00 O ATOM 1015 CB ASN A 71 15.781 -1.271 3.261 1.00 0.00 C ATOM 1016 CG ASN A 71 16.070 -1.201 4.761 1.00 0.00 C ATOM 1017 OD1 ASN A 71 16.241 -2.216 5.406 1.00 0.00 O ATOM 1018 ND2 ASN A 71 16.133 -0.038 5.348 1.00 0.00 N ATOM 0 H ASN A 71 14.713 -3.509 3.002 1.00 0.00 H new ATOM 0 HA ASN A 71 13.727 -0.931 3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.311 -2.114 2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.146 -0.370 2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.326 0.019 6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.990 0.815 4.807 1.00 0.00 H new ATOM 1025 N ASP A 72 14.236 -1.404 0.603 1.00 0.00 N ATOM 1026 CA ASP A 72 13.915 -0.822 -0.735 1.00 0.00 C ATOM 1027 C ASP A 72 12.421 -0.980 -1.045 1.00 0.00 C ATOM 1028 O ASP A 72 11.888 -0.293 -1.895 1.00 0.00 O ATOM 1029 CB ASP A 72 14.731 -1.545 -1.809 1.00 0.00 C ATOM 1030 CG ASP A 72 16.217 -1.471 -1.456 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.809 -0.429 -1.685 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.739 -2.457 -0.964 1.00 0.00 O ATOM 0 H ASP A 72 14.718 -2.303 0.578 1.00 0.00 H new ATOM 0 HA ASP A 72 14.163 0.239 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.415 -2.586 -1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.555 -1.089 -2.783 1.00 0.00 H new ATOM 1037 N ALA A 73 11.748 -1.885 -0.379 1.00 0.00 N ATOM 1038 CA ALA A 73 10.295 -2.095 -0.652 1.00 0.00 C ATOM 1039 C ALA A 73 9.449 -1.040 0.071 1.00 0.00 C ATOM 1040 O ALA A 73 8.442 -0.590 -0.445 1.00 0.00 O ATOM 1041 CB ALA A 73 9.890 -3.488 -0.167 1.00 0.00 C ATOM 0 H ALA A 73 12.144 -2.488 0.343 1.00 0.00 H new ATOM 0 HA ALA A 73 10.122 -2.004 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.830 -3.648 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.474 -4.241 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.077 -3.569 0.904 1.00 0.00 H new ATOM 1047 N LEU A 74 9.835 -0.653 1.263 1.00 0.00 N ATOM 1048 CA LEU A 74 9.030 0.358 2.018 1.00 0.00 C ATOM 1049 C LEU A 74 9.268 1.763 1.454 1.00 0.00 C ATOM 1050 O LEU A 74 8.348 2.555 1.356 1.00 0.00 O ATOM 1051 CB LEU A 74 9.402 0.322 3.509 1.00 0.00 C ATOM 1052 CG LEU A 74 10.885 0.658 3.700 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.050 2.165 3.929 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.424 -0.103 4.914 1.00 0.00 C ATOM 0 H LEU A 74 10.668 -0.992 1.744 1.00 0.00 H new ATOM 0 HA LEU A 74 7.974 0.112 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.788 1.034 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.191 -0.666 3.919 1.00 0.00 H new ATOM 0 HG LEU A 74 11.439 0.367 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.106 2.399 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.666 2.708 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.496 2.460 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.479 0.134 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.866 0.189 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.311 -1.175 4.751 1.00 0.00 H new ATOM 1066 N ASN A 75 10.486 2.087 1.087 1.00 0.00 N ATOM 1067 CA ASN A 75 10.760 3.451 0.540 1.00 0.00 C ATOM 1068 C ASN A 75 10.341 3.521 -0.930 1.00 0.00 C ATOM 1069 O ASN A 75 10.025 4.580 -1.440 1.00 0.00 O ATOM 1070 CB ASN A 75 12.249 3.794 0.668 1.00 0.00 C ATOM 1071 CG ASN A 75 13.119 2.651 0.142 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.725 1.924 -0.746 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.308 2.470 0.654 1.00 0.00 N ATOM 0 H ASN A 75 11.296 1.469 1.143 1.00 0.00 H new ATOM 0 HA ASN A 75 10.182 4.174 1.115 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.465 4.706 0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.493 3.991 1.712 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.904 1.718 0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.640 3.081 1.400 1.00 0.00 H new ATOM 1080 N ALA A 76 10.333 2.406 -1.612 1.00 0.00 N ATOM 1081 CA ALA A 76 9.930 2.402 -3.050 1.00 0.00 C ATOM 1082 C ALA A 76 8.415 2.596 -3.156 1.00 0.00 C ATOM 1083 O ALA A 76 7.919 3.157 -4.115 1.00 0.00 O ATOM 1084 CB ALA A 76 10.319 1.065 -3.685 1.00 0.00 C ATOM 0 H ALA A 76 10.589 1.494 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 76 10.437 3.213 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.025 1.062 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.398 0.927 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.812 0.253 -3.164 1.00 0.00 H new ATOM 1090 N LEU A 77 7.682 2.145 -2.171 1.00 0.00 N ATOM 1091 CA LEU A 77 6.198 2.306 -2.199 1.00 0.00 C ATOM 1092 C LEU A 77 5.840 3.721 -1.748 1.00 0.00 C ATOM 1093 O LEU A 77 4.837 4.275 -2.151 1.00 0.00 O ATOM 1094 CB LEU A 77 5.554 1.291 -1.253 1.00 0.00 C ATOM 1095 CG LEU A 77 5.691 -0.113 -1.842 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.197 -1.143 -0.826 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.852 -0.214 -3.118 1.00 0.00 C ATOM 0 H LEU A 77 8.049 1.671 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 77 5.830 2.138 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.033 1.335 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.502 1.533 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 77 6.737 -0.308 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.295 -2.144 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.793 -1.071 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.151 -0.949 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.949 -1.215 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.806 -0.019 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.203 0.520 -3.843 1.00 0.00 H new ATOM 1109 N GLU A 78 6.660 4.304 -0.913 1.00 0.00 N ATOM 1110 CA GLU A 78 6.390 5.685 -0.425 1.00 0.00 C ATOM 1111 C GLU A 78 6.521 6.671 -1.592 1.00 0.00 C ATOM 1112 O GLU A 78 5.683 7.531 -1.784 1.00 0.00 O ATOM 1113 CB GLU A 78 7.411 6.025 0.668 1.00 0.00 C ATOM 1114 CG GLU A 78 7.174 7.450 1.193 1.00 0.00 C ATOM 1115 CD GLU A 78 8.214 8.402 0.596 1.00 0.00 C ATOM 1116 OE1 GLU A 78 8.549 8.231 -0.564 1.00 0.00 O ATOM 1117 OE2 GLU A 78 8.657 9.286 1.311 1.00 0.00 O ATOM 0 H GLU A 78 7.511 3.878 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 78 5.381 5.753 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.329 5.310 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.422 5.940 0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.170 7.782 0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.239 7.462 2.281 1.00 0.00 H new ATOM 1124 N GLU A 79 7.573 6.554 -2.364 1.00 0.00 N ATOM 1125 CA GLU A 79 7.773 7.486 -3.515 1.00 0.00 C ATOM 1126 C GLU A 79 6.726 7.211 -4.599 1.00 0.00 C ATOM 1127 O GLU A 79 6.357 8.096 -5.349 1.00 0.00 O ATOM 1128 CB GLU A 79 9.178 7.294 -4.097 1.00 0.00 C ATOM 1129 CG GLU A 79 9.422 5.812 -4.393 1.00 0.00 C ATOM 1130 CD GLU A 79 10.352 5.678 -5.600 1.00 0.00 C ATOM 1131 OE1 GLU A 79 9.847 5.627 -6.710 1.00 0.00 O ATOM 1132 OE2 GLU A 79 11.554 5.627 -5.394 1.00 0.00 O ATOM 0 H GLU A 79 8.303 5.852 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 79 7.663 8.512 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.286 7.879 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.926 7.661 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.864 5.325 -3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.475 5.310 -4.593 1.00 0.00 H new ATOM 1139 N THR A 80 6.250 5.995 -4.692 1.00 0.00 N ATOM 1140 CA THR A 80 5.231 5.662 -5.732 1.00 0.00 C ATOM 1141 C THR A 80 3.854 6.177 -5.299 1.00 0.00 C ATOM 1142 O THR A 80 3.003 6.456 -6.124 1.00 0.00 O ATOM 1143 CB THR A 80 5.166 4.146 -5.915 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.477 3.639 -6.121 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.291 3.816 -7.126 1.00 0.00 C ATOM 0 H THR A 80 6.524 5.218 -4.091 1.00 0.00 H new ATOM 0 HA THR A 80 5.514 6.136 -6.672 1.00 0.00 H new ATOM 0 HB THR A 80 4.737 3.688 -5.024 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.959 3.623 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.244 2.735 -7.257 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.286 4.206 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.719 4.272 -8.019 1.00 0.00 H new ATOM 1153 N MET A 81 3.629 6.301 -4.016 1.00 0.00 N ATOM 1154 CA MET A 81 2.308 6.794 -3.525 1.00 0.00 C ATOM 1155 C MET A 81 2.150 8.276 -3.870 1.00 0.00 C ATOM 1156 O MET A 81 1.133 8.694 -4.390 1.00 0.00 O ATOM 1157 CB MET A 81 2.225 6.611 -2.009 1.00 0.00 C ATOM 1158 CG MET A 81 1.644 5.232 -1.693 1.00 0.00 C ATOM 1159 SD MET A 81 0.808 5.283 -0.088 1.00 0.00 S ATOM 1160 CE MET A 81 -0.715 6.079 -0.654 1.00 0.00 C ATOM 0 H MET A 81 4.306 6.081 -3.285 1.00 0.00 H new ATOM 0 HA MET A 81 1.511 6.225 -4.004 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.216 6.710 -1.565 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.600 7.390 -1.572 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.942 4.934 -2.472 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.438 4.486 -1.678 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.399 6.196 0.187 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.481 7.059 -1.070 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.185 5.463 -1.421 1.00 0.00 H new ATOM 1170 N LYS A 82 3.149 9.071 -3.582 1.00 0.00 N ATOM 1171 CA LYS A 82 3.065 10.530 -3.887 1.00 0.00 C ATOM 1172 C LYS A 82 3.282 10.770 -5.387 1.00 0.00 C ATOM 1173 O LYS A 82 2.918 11.808 -5.911 1.00 0.00 O ATOM 1174 CB LYS A 82 4.136 11.280 -3.091 1.00 0.00 C ATOM 1175 CG LYS A 82 3.704 11.397 -1.624 1.00 0.00 C ATOM 1176 CD LYS A 82 3.966 12.819 -1.116 1.00 0.00 C ATOM 1177 CE LYS A 82 5.470 13.111 -1.127 1.00 0.00 C ATOM 1178 NZ LYS A 82 5.768 14.142 -2.161 1.00 0.00 N ATOM 0 H LYS A 82 4.022 8.771 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 82 2.076 10.895 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.088 10.754 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.289 12.272 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.645 11.156 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.252 10.677 -1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.443 13.540 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.573 12.931 -0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.791 13.461 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.027 12.198 -1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.678 14.597 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.819 13.691 -3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.015 14.859 -2.163 1.00 0.00 H new ATOM 1192 N SER A 83 3.872 9.826 -6.084 1.00 0.00 N ATOM 1193 CA SER A 83 4.114 10.004 -7.549 1.00 0.00 C ATOM 1194 C SER A 83 2.782 10.216 -8.277 1.00 0.00 C ATOM 1195 O SER A 83 2.707 10.945 -9.247 1.00 0.00 O ATOM 1196 CB SER A 83 4.801 8.756 -8.103 1.00 0.00 C ATOM 1197 OG SER A 83 3.863 7.689 -8.156 1.00 0.00 O ATOM 0 H SER A 83 4.196 8.939 -5.699 1.00 0.00 H new ATOM 0 HA SER A 83 4.750 10.876 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.198 8.957 -9.098 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.646 8.482 -7.472 1.00 0.00 H new ATOM 0 HG SER A 83 3.385 7.631 -7.302 1.00 0.00 H new ATOM 1203 N GLU A 84 1.734 9.581 -7.815 1.00 0.00 N ATOM 1204 CA GLU A 84 0.405 9.739 -8.478 1.00 0.00 C ATOM 1205 C GLU A 84 -0.495 10.641 -7.627 1.00 0.00 C ATOM 1206 O GLU A 84 -1.384 11.299 -8.137 1.00 0.00 O ATOM 1207 CB GLU A 84 -0.253 8.366 -8.634 1.00 0.00 C ATOM 1208 CG GLU A 84 0.434 7.597 -9.764 1.00 0.00 C ATOM 1209 CD GLU A 84 -0.580 6.682 -10.452 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.429 6.145 -9.759 1.00 0.00 O ATOM 1211 OE2 GLU A 84 -0.492 6.534 -11.659 1.00 0.00 O ATOM 0 H GLU A 84 1.742 8.959 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 84 0.544 10.192 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.178 7.807 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.315 8.482 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.859 8.294 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.260 7.007 -9.367 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.271 10.677 -6.338 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.109 11.532 -5.450 1.00 0.00 C ATOM 1220 C GLY A 85 -2.240 10.693 -4.854 1.00 0.00 C ATOM 1221 O GLY A 85 -3.406 10.979 -5.048 1.00 0.00 O ATOM 0 H GLY A 85 0.460 10.148 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.498 11.956 -4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.521 12.368 -6.015 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.898 9.657 -4.130 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.943 8.790 -3.513 1.00 0.00 C ATOM 1227 C LEU A 86 -2.945 8.997 -1.998 1.00 0.00 C ATOM 1228 O LEU A 86 -3.984 9.005 -1.365 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.637 7.324 -3.829 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.709 7.101 -5.339 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.914 5.849 -5.711 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -4.170 6.918 -5.757 1.00 0.00 C ATOM 0 H LEU A 86 -0.936 9.375 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.921 9.052 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.646 7.061 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.350 6.675 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.287 7.964 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.966 5.691 -6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.873 5.977 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.335 4.985 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.223 6.759 -6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.591 6.055 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.738 7.810 -5.494 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.785 9.164 -1.416 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.704 9.373 0.059 1.00 0.00 C ATOM 1246 C GLY A 87 -0.347 9.982 0.416 1.00 0.00 C ATOM 1247 O GLY A 87 0.524 10.112 -0.424 1.00 0.00 O ATOM 0 H GLY A 87 -0.888 9.164 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.508 10.032 0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.837 8.424 0.579 1.00 0.00 H new ATOM 1251 N GLU A 88 -0.161 10.353 1.657 1.00 0.00 N ATOM 1252 CA GLU A 88 1.139 10.952 2.080 1.00 0.00 C ATOM 1253 C GLU A 88 1.415 10.589 3.542 1.00 0.00 C ATOM 1254 O GLU A 88 2.398 9.909 3.786 1.00 0.00 O ATOM 1255 CB GLU A 88 1.074 12.476 1.933 1.00 0.00 C ATOM 1256 CG GLU A 88 -0.128 13.020 2.710 1.00 0.00 C ATOM 1257 CD GLU A 88 -0.484 14.414 2.189 1.00 0.00 C ATOM 1258 OE1 GLU A 88 -1.331 14.534 1.205 1.00 0.00 O ATOM 1259 OE2 GLU A 88 0.013 15.405 2.686 1.00 0.00 O ATOM 1260 OXT GLU A 88 0.638 10.994 4.391 1.00 0.00 O ATOM 0 H GLU A 88 -0.857 10.266 2.398 1.00 0.00 H new ATOM 0 HA GLU A 88 1.940 10.563 1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.994 12.926 2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.991 12.746 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.980 12.350 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.104 13.066 3.774 1.00 0.00 H new