USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 78 MET CE :methyl 174:sc= 0 (180deg=-0.0116) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 7 ASN : amide:sc= 0.77 X(o=2.2,f=2.6) USER MOD Set 2.2: A 62 SER OG : rot -50:sc= 1.45 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0198) USER MOD Single : A 1 MET N :NH3+ -173:sc= 2.4 (180deg=2.27) USER MOD Single : A 10 THR OG1 : rot -150:sc= 0.819 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.452 X(o=0.45,f=0) USER MOD Single : A 18 SER OG : rot -110:sc= 1.13 USER MOD Single : A 19 SER OG : rot 122:sc= 0.474 USER MOD Single : A 48 TYR OH : rot -29:sc= 1.29 USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= 0.559 (180deg=0.351) USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 0.729 (180deg=0.725) USER MOD Single : A 53 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00619) USER MOD Single : A 54 CYS SG : rot 28:sc= -0.896 USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 0.83 (180deg=0.69) USER MOD Single : A 58 ASN : amide:sc= 0.0536 K(o=0.054,f=-8.4!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 1.03 USER MOD Single : A 64 ASN : amide:sc= 1.18 K(o=1.2,f=-0.81) USER MOD Single : A 67 SER OG : rot 71:sc= 1.19 USER MOD Single : A 69 TYR OH : rot 130:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.444 USER MOD Single : A 76 THR OG1 : rot 116:sc= 1.18 USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= 0.425 (180deg=0.217) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.14) USER MOD Single : A 86 CYS SG : rot -118:sc= 0.487 USER MOD Single : A 95 LYS NZ :NH3+ -115:sc= 0.0243 (180deg=-0.101) USER MOD Single : A 97 THR OG1 : rot -170:sc= 0.0303 USER MOD Single : A 100 GLN : amide:sc= -0.0817 X(o=-0.082,f=-0.29) USER MOD Single : A 101 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0538) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.362 K(o=0.36,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.400 -3.203 -11.282 1.00 0.00 N ATOM 2 CA MET A 1 -0.997 -2.937 -12.604 1.00 0.00 C ATOM 3 C MET A 1 -2.271 -2.102 -12.443 1.00 0.00 C ATOM 4 O MET A 1 -2.317 -0.973 -12.920 1.00 0.00 O ATOM 5 CB MET A 1 -1.212 -4.224 -13.422 1.00 0.00 C ATOM 6 CG MET A 1 -1.857 -5.417 -12.699 1.00 0.00 C ATOM 7 SD MET A 1 -2.037 -6.912 -13.704 1.00 0.00 S ATOM 8 CE MET A 1 -3.399 -6.425 -14.786 1.00 0.00 C ATOM 0 H1 MET A 1 0.523 -3.666 -11.405 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.272 -2.306 -10.772 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.029 -3.825 -10.736 1.00 0.00 H new ATOM 0 HA MET A 1 -0.291 -2.350 -13.191 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.831 -3.977 -14.284 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.244 -4.545 -13.807 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.258 -5.657 -11.821 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.842 -5.117 -12.341 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.691 -7.272 -15.408 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.249 -6.109 -14.181 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.080 -5.600 -15.423 1.00 0.00 H new ATOM 20 N GLU A 2 -3.283 -2.627 -11.745 1.00 0.00 N ATOM 21 CA GLU A 2 -4.448 -1.837 -11.369 1.00 0.00 C ATOM 22 C GLU A 2 -3.948 -0.867 -10.301 1.00 0.00 C ATOM 23 O GLU A 2 -4.173 0.338 -10.366 1.00 0.00 O ATOM 24 CB GLU A 2 -5.564 -2.738 -10.830 1.00 0.00 C ATOM 25 CG GLU A 2 -6.073 -3.748 -11.864 1.00 0.00 C ATOM 26 CD GLU A 2 -7.157 -4.641 -11.263 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.270 -4.115 -11.050 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.847 -5.827 -11.019 1.00 0.00 O ATOM 0 H GLU A 2 -3.314 -3.597 -11.431 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.876 -1.306 -12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.198 -3.276 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.396 -2.117 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.470 -3.219 -12.730 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.245 -4.362 -12.218 1.00 0.00 H new ATOM 35 N ALA A 3 -3.234 -1.431 -9.324 1.00 0.00 N ATOM 36 CA ALA A 3 -2.512 -0.672 -8.324 1.00 0.00 C ATOM 37 C ALA A 3 -1.249 -0.147 -9.009 1.00 0.00 C ATOM 38 O ALA A 3 -0.637 -0.890 -9.788 1.00 0.00 O ATOM 39 CB ALA A 3 -2.148 -1.593 -7.160 1.00 0.00 C ATOM 0 H ALA A 3 -3.146 -2.441 -9.212 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.106 0.152 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.604 -1.026 -6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.058 -2.002 -6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.522 -2.408 -7.523 1.00 0.00 H new ATOM 45 N GLY A 4 -0.856 1.105 -8.760 1.00 0.00 N ATOM 46 CA GLY A 4 0.329 1.648 -9.411 1.00 0.00 C ATOM 47 C GLY A 4 1.613 1.072 -8.805 1.00 0.00 C ATOM 48 O GLY A 4 1.584 0.460 -7.738 1.00 0.00 O ATOM 0 H GLY A 4 -1.332 1.746 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.295 1.423 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.334 2.734 -9.314 1.00 0.00 H new ATOM 52 N ALA A 5 2.746 1.287 -9.473 1.00 0.00 N ATOM 53 CA ALA A 5 4.064 0.918 -8.973 1.00 0.00 C ATOM 54 C ALA A 5 4.720 2.215 -8.505 1.00 0.00 C ATOM 55 O ALA A 5 4.650 3.206 -9.232 1.00 0.00 O ATOM 56 CB ALA A 5 4.880 0.255 -10.085 1.00 0.00 C ATOM 0 H ALA A 5 2.771 1.730 -10.391 1.00 0.00 H new ATOM 0 HA ALA A 5 4.001 0.200 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.863 -0.017 -9.702 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.364 -0.641 -10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.994 0.950 -10.916 1.00 0.00 H new ATOM 62 N VAL A 6 5.304 2.240 -7.304 1.00 0.00 N ATOM 63 CA VAL A 6 5.947 3.429 -6.762 1.00 0.00 C ATOM 64 C VAL A 6 7.335 3.076 -6.226 1.00 0.00 C ATOM 65 O VAL A 6 7.735 1.913 -6.162 1.00 0.00 O ATOM 66 CB VAL A 6 5.068 4.108 -5.685 1.00 0.00 C ATOM 67 CG1 VAL A 6 3.619 4.268 -6.138 1.00 0.00 C ATOM 68 CG2 VAL A 6 5.024 3.366 -4.349 1.00 0.00 C ATOM 0 H VAL A 6 5.342 1.432 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 6 6.069 4.155 -7.566 1.00 0.00 H new ATOM 0 HB VAL A 6 5.552 5.075 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.042 4.749 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.585 4.882 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.194 3.287 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.386 3.909 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.623 2.364 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.031 3.295 -3.939 1.00 0.00 H new ATOM 78 N ASN A 7 8.061 4.116 -5.831 1.00 0.00 N ATOM 79 CA ASN A 7 9.392 4.091 -5.254 1.00 0.00 C ATOM 80 C ASN A 7 9.508 5.373 -4.446 1.00 0.00 C ATOM 81 O ASN A 7 8.576 6.168 -4.469 1.00 0.00 O ATOM 82 CB ASN A 7 10.438 4.081 -6.377 1.00 0.00 C ATOM 83 CG ASN A 7 10.627 2.685 -6.940 1.00 0.00 C ATOM 84 OD1 ASN A 7 10.324 2.422 -8.098 1.00 0.00 O ATOM 85 ND2 ASN A 7 11.149 1.787 -6.115 1.00 0.00 N ATOM 0 H ASN A 7 7.704 5.068 -5.914 1.00 0.00 H new ATOM 0 HA ASN A 7 9.557 3.208 -4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.127 4.758 -7.173 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.389 4.454 -5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.313 0.833 -6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.386 2.050 -5.159 1.00 0.00 H new ATOM 92 N ASP A 8 10.628 5.608 -3.766 1.00 0.00 N ATOM 93 CA ASP A 8 10.823 6.793 -2.927 1.00 0.00 C ATOM 94 C ASP A 8 10.364 8.075 -3.639 1.00 0.00 C ATOM 95 O ASP A 8 9.500 8.810 -3.159 1.00 0.00 O ATOM 96 CB ASP A 8 12.308 6.884 -2.547 1.00 0.00 C ATOM 97 CG ASP A 8 12.609 7.983 -1.530 1.00 0.00 C ATOM 98 OD1 ASP A 8 11.645 8.566 -0.990 1.00 0.00 O ATOM 99 OD2 ASP A 8 13.816 8.206 -1.295 1.00 0.00 O ATOM 0 H ASP A 8 11.431 4.980 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 8 10.213 6.697 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.631 5.925 -2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.895 7.062 -3.448 1.00 0.00 H new ATOM 104 N ASP A 9 10.944 8.287 -4.820 1.00 0.00 N ATOM 105 CA ASP A 9 10.700 9.423 -5.698 1.00 0.00 C ATOM 106 C ASP A 9 9.213 9.722 -5.872 1.00 0.00 C ATOM 107 O ASP A 9 8.753 10.830 -5.620 1.00 0.00 O ATOM 108 CB ASP A 9 11.296 9.107 -7.072 1.00 0.00 C ATOM 109 CG ASP A 9 11.090 10.269 -8.036 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.848 11.253 -7.907 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.176 10.148 -8.880 1.00 0.00 O ATOM 0 H ASP A 9 11.629 7.638 -5.206 1.00 0.00 H new ATOM 0 HA ASP A 9 11.163 10.300 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.361 8.898 -6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.831 8.208 -7.476 1.00 0.00 H new ATOM 116 N THR A 10 8.480 8.722 -6.349 1.00 0.00 N ATOM 117 CA THR A 10 7.067 8.832 -6.660 1.00 0.00 C ATOM 118 C THR A 10 6.219 8.867 -5.387 1.00 0.00 C ATOM 119 O THR A 10 5.350 9.728 -5.261 1.00 0.00 O ATOM 120 CB THR A 10 6.704 7.667 -7.590 1.00 0.00 C ATOM 121 OG1 THR A 10 7.312 6.471 -7.139 1.00 0.00 O ATOM 122 CG2 THR A 10 7.229 7.951 -9.001 1.00 0.00 C ATOM 0 H THR A 10 8.863 7.795 -6.533 1.00 0.00 H new ATOM 0 HA THR A 10 6.855 9.772 -7.169 1.00 0.00 H new ATOM 0 HB THR A 10 5.619 7.560 -7.594 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.493 5.887 -7.905 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.970 7.122 -9.659 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.779 8.869 -9.379 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.313 8.065 -8.970 1.00 0.00 H new ATOM 130 N PHE A 11 6.489 7.955 -4.447 1.00 0.00 N ATOM 131 CA PHE A 11 5.817 7.787 -3.156 1.00 0.00 C ATOM 132 C PHE A 11 5.504 9.138 -2.532 1.00 0.00 C ATOM 133 O PHE A 11 4.393 9.402 -2.084 1.00 0.00 O ATOM 134 CB PHE A 11 6.727 6.987 -2.215 1.00 0.00 C ATOM 135 CG PHE A 11 6.135 6.630 -0.867 1.00 0.00 C ATOM 136 CD1 PHE A 11 6.202 7.545 0.199 1.00 0.00 C ATOM 137 CD2 PHE A 11 5.619 5.339 -0.646 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.705 7.188 1.464 1.00 0.00 C ATOM 139 CE2 PHE A 11 5.153 4.973 0.627 1.00 0.00 C ATOM 140 CZ PHE A 11 5.171 5.906 1.677 1.00 0.00 C ATOM 0 H PHE A 11 7.233 7.269 -4.578 1.00 0.00 H new ATOM 0 HA PHE A 11 4.880 7.253 -3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.017 6.065 -2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.639 7.560 -2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.635 8.522 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.581 4.628 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.734 7.901 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.781 3.974 0.799 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.775 5.639 2.646 1.00 0.00 H new ATOM 150 N LYS A 12 6.517 9.993 -2.510 1.00 0.00 N ATOM 151 CA LYS A 12 6.409 11.363 -2.038 1.00 0.00 C ATOM 152 C LYS A 12 5.106 12.036 -2.472 1.00 0.00 C ATOM 153 O LYS A 12 4.384 12.579 -1.643 1.00 0.00 O ATOM 154 CB LYS A 12 7.579 12.162 -2.603 1.00 0.00 C ATOM 155 CG LYS A 12 8.805 11.964 -1.706 1.00 0.00 C ATOM 156 CD LYS A 12 10.069 12.535 -2.350 1.00 0.00 C ATOM 157 CE LYS A 12 11.259 12.277 -1.419 1.00 0.00 C ATOM 158 NZ LYS A 12 12.522 12.750 -2.011 1.00 0.00 N ATOM 0 H LYS A 12 7.455 9.747 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 12 6.421 11.340 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.801 11.836 -3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.320 13.219 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.635 12.448 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.945 10.901 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.241 12.069 -3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.953 13.604 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.092 12.780 -0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.332 11.210 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.306 12.560 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.693 12.252 -2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.460 13.773 -2.189 1.00 0.00 H new ATOM 172 N ASN A 13 4.813 12.031 -3.771 1.00 0.00 N ATOM 173 CA ASN A 13 3.607 12.670 -4.273 1.00 0.00 C ATOM 174 C ASN A 13 2.438 11.713 -4.230 1.00 0.00 C ATOM 175 O ASN A 13 1.344 12.033 -3.778 1.00 0.00 O ATOM 176 CB ASN A 13 3.791 13.101 -5.726 1.00 0.00 C ATOM 177 CG ASN A 13 2.672 14.051 -6.131 1.00 0.00 C ATOM 178 OD1 ASN A 13 1.807 13.695 -6.923 1.00 0.00 O ATOM 179 ND2 ASN A 13 2.678 15.267 -5.592 1.00 0.00 N ATOM 0 H ASN A 13 5.392 11.594 -4.488 1.00 0.00 H new ATOM 0 HA ASN A 13 3.414 13.536 -3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.757 13.590 -5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.791 12.226 -6.377 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.947 15.936 -5.835 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.413 15.530 -4.936 1.00 0.00 H new ATOM 186 N VAL A 14 2.702 10.516 -4.736 1.00 0.00 N ATOM 187 CA VAL A 14 1.663 9.537 -4.974 1.00 0.00 C ATOM 188 C VAL A 14 0.973 9.130 -3.665 1.00 0.00 C ATOM 189 O VAL A 14 -0.222 8.840 -3.664 1.00 0.00 O ATOM 190 CB VAL A 14 2.256 8.332 -5.732 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.237 7.201 -5.927 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.734 8.771 -7.125 1.00 0.00 C ATOM 0 H VAL A 14 3.639 10.202 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 14 0.886 9.977 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 14 3.082 7.962 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.706 6.378 -6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.893 6.849 -4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.387 7.572 -6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.151 7.914 -7.653 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.891 9.170 -7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.499 9.541 -7.021 1.00 0.00 H new ATOM 202 N VAL A 15 1.724 9.115 -2.560 1.00 0.00 N ATOM 203 CA VAL A 15 1.266 8.696 -1.246 1.00 0.00 C ATOM 204 C VAL A 15 1.156 9.880 -0.284 1.00 0.00 C ATOM 205 O VAL A 15 0.054 10.194 0.160 1.00 0.00 O ATOM 206 CB VAL A 15 2.207 7.606 -0.695 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.664 7.028 0.616 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.410 6.472 -1.709 1.00 0.00 C ATOM 0 H VAL A 15 2.702 9.406 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 15 0.264 8.279 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 15 3.171 8.080 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.345 6.261 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.578 7.823 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.682 6.588 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.079 5.722 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.448 6.013 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.847 6.875 -2.623 1.00 0.00 H new ATOM 218 N LEU A 16 2.276 10.531 0.052 1.00 0.00 N ATOM 219 CA LEU A 16 2.264 11.575 1.076 1.00 0.00 C ATOM 220 C LEU A 16 1.510 12.817 0.590 1.00 0.00 C ATOM 221 O LEU A 16 0.413 13.113 1.057 1.00 0.00 O ATOM 222 CB LEU A 16 3.691 11.918 1.534 1.00 0.00 C ATOM 223 CG LEU A 16 4.495 10.700 2.014 1.00 0.00 C ATOM 224 CD1 LEU A 16 5.904 11.159 2.396 1.00 0.00 C ATOM 225 CD2 LEU A 16 3.825 10.026 3.216 1.00 0.00 C ATOM 0 H LEU A 16 3.190 10.355 -0.366 1.00 0.00 H new ATOM 0 HA LEU A 16 1.728 11.189 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.224 12.392 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.638 12.649 2.341 1.00 0.00 H new ATOM 0 HG LEU A 16 4.540 9.969 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.485 10.303 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.390 11.603 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.842 11.898 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.420 9.168 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.752 10.738 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.826 9.692 2.936 1.00 0.00 H new ATOM 237 N GLU A 17 2.087 13.561 -0.354 1.00 0.00 N ATOM 238 CA GLU A 17 1.501 14.779 -0.901 1.00 0.00 C ATOM 239 C GLU A 17 0.468 14.394 -1.972 1.00 0.00 C ATOM 240 O GLU A 17 0.552 14.841 -3.114 1.00 0.00 O ATOM 241 CB GLU A 17 2.653 15.644 -1.440 1.00 0.00 C ATOM 242 CG GLU A 17 2.264 17.063 -1.881 1.00 0.00 C ATOM 243 CD GLU A 17 3.393 17.706 -2.684 1.00 0.00 C ATOM 244 OE1 GLU A 17 3.803 17.081 -3.689 1.00 0.00 O ATOM 245 OE2 GLU A 17 3.831 18.803 -2.277 1.00 0.00 O ATOM 0 H GLU A 17 2.991 13.328 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 17 0.967 15.363 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.419 15.719 -0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.104 15.130 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.357 17.026 -2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.040 17.673 -1.006 1.00 0.00 H new ATOM 252 N SER A 18 -0.481 13.530 -1.599 1.00 0.00 N ATOM 253 CA SER A 18 -1.525 13.039 -2.481 1.00 0.00 C ATOM 254 C SER A 18 -2.752 13.957 -2.386 1.00 0.00 C ATOM 255 O SER A 18 -2.635 15.171 -2.546 1.00 0.00 O ATOM 256 CB SER A 18 -1.801 11.575 -2.115 1.00 0.00 C ATOM 257 OG SER A 18 -2.200 11.487 -0.761 1.00 0.00 O ATOM 0 H SER A 18 -0.539 13.149 -0.655 1.00 0.00 H new ATOM 0 HA SER A 18 -1.225 13.060 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.580 11.170 -2.760 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.906 10.974 -2.280 1.00 0.00 H new ATOM 0 HG SER A 18 -1.494 11.050 -0.240 1.00 0.00 H new ATOM 263 N SER A 19 -3.943 13.390 -2.173 1.00 0.00 N ATOM 264 CA SER A 19 -5.188 14.138 -2.043 1.00 0.00 C ATOM 265 C SER A 19 -6.215 13.234 -1.365 1.00 0.00 C ATOM 266 O SER A 19 -6.479 13.347 -0.170 1.00 0.00 O ATOM 267 CB SER A 19 -5.656 14.612 -3.427 1.00 0.00 C ATOM 268 OG SER A 19 -5.614 13.545 -4.359 1.00 0.00 O ATOM 0 H SER A 19 -4.067 12.381 -2.085 1.00 0.00 H new ATOM 0 HA SER A 19 -5.050 15.030 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.671 15.004 -3.359 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.022 15.429 -3.772 1.00 0.00 H new ATOM 0 HG SER A 19 -6.507 13.407 -4.739 1.00 0.00 H new ATOM 274 N VAL A 20 -6.772 12.321 -2.160 1.00 0.00 N ATOM 275 CA VAL A 20 -7.701 11.297 -1.706 1.00 0.00 C ATOM 276 C VAL A 20 -6.870 10.183 -1.054 1.00 0.00 C ATOM 277 O VAL A 20 -5.652 10.155 -1.254 1.00 0.00 O ATOM 278 CB VAL A 20 -8.525 10.770 -2.901 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.341 11.901 -3.538 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.673 10.079 -3.978 1.00 0.00 C ATOM 0 H VAL A 20 -6.583 12.275 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.410 11.696 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.193 10.013 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.914 11.508 -4.378 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.023 12.319 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.667 12.681 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.318 9.734 -4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.942 10.785 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.154 9.227 -3.540 1.00 0.00 H new ATOM 290 N PRO A 21 -7.489 9.287 -0.267 1.00 0.00 N ATOM 291 CA PRO A 21 -6.793 8.180 0.363 1.00 0.00 C ATOM 292 C PRO A 21 -5.929 7.362 -0.595 1.00 0.00 C ATOM 293 O PRO A 21 -6.085 7.403 -1.812 1.00 0.00 O ATOM 294 CB PRO A 21 -7.877 7.316 1.002 1.00 0.00 C ATOM 295 CG PRO A 21 -8.946 8.340 1.356 1.00 0.00 C ATOM 296 CD PRO A 21 -8.858 9.362 0.223 1.00 0.00 C ATOM 0 HA PRO A 21 -6.083 8.566 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.252 6.559 0.313 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.510 6.790 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.935 7.885 1.409 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.755 8.800 2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.571 9.132 -0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.092 10.365 0.581 1.00 0.00 H new ATOM 304 N VAL A 22 -5.023 6.581 -0.015 1.00 0.00 N ATOM 305 CA VAL A 22 -4.019 5.793 -0.700 1.00 0.00 C ATOM 306 C VAL A 22 -3.776 4.508 0.093 1.00 0.00 C ATOM 307 O VAL A 22 -3.756 4.557 1.322 1.00 0.00 O ATOM 308 CB VAL A 22 -2.704 6.599 -0.780 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.664 5.922 -1.680 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.906 8.055 -1.231 1.00 0.00 C ATOM 0 H VAL A 22 -4.972 6.479 0.999 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.359 5.551 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.328 6.619 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.757 6.525 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.431 4.933 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.064 5.826 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.942 8.562 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.359 8.069 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.561 8.567 -0.526 1.00 0.00 H new ATOM 320 N LEU A 23 -3.576 3.375 -0.589 1.00 0.00 N ATOM 321 CA LEU A 23 -3.193 2.108 0.045 1.00 0.00 C ATOM 322 C LEU A 23 -1.933 1.626 -0.663 1.00 0.00 C ATOM 323 O LEU A 23 -2.018 1.054 -1.746 1.00 0.00 O ATOM 324 CB LEU A 23 -4.346 1.083 0.015 1.00 0.00 C ATOM 325 CG LEU A 23 -4.005 -0.279 0.664 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.264 -0.928 1.254 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.420 -1.300 -0.323 1.00 0.00 C ATOM 0 H LEU A 23 -3.676 3.311 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.983 2.244 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.209 1.510 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.640 0.915 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.262 -0.046 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.002 -1.885 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.689 -0.272 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.996 -1.088 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.205 -2.231 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.140 -1.490 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.500 -0.905 -0.753 1.00 0.00 H new ATOM 339 N VAL A 24 -0.762 1.893 -0.083 1.00 0.00 N ATOM 340 CA VAL A 24 0.506 1.490 -0.675 1.00 0.00 C ATOM 341 C VAL A 24 0.957 0.190 -0.007 1.00 0.00 C ATOM 342 O VAL A 24 0.979 0.094 1.222 1.00 0.00 O ATOM 343 CB VAL A 24 1.556 2.608 -0.556 1.00 0.00 C ATOM 344 CG1 VAL A 24 1.653 3.206 0.846 1.00 0.00 C ATOM 345 CG2 VAL A 24 2.932 2.102 -1.010 1.00 0.00 C ATOM 0 H VAL A 24 -0.670 2.391 0.803 1.00 0.00 H new ATOM 0 HA VAL A 24 0.382 1.312 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 24 1.221 3.410 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.413 3.988 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.690 3.632 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.926 2.426 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.663 2.905 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.236 1.263 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.876 1.778 -2.049 1.00 0.00 H new ATOM 355 N ASP A 25 1.310 -0.809 -0.822 1.00 0.00 N ATOM 356 CA ASP A 25 1.854 -2.074 -0.362 1.00 0.00 C ATOM 357 C ASP A 25 3.363 -2.059 -0.587 1.00 0.00 C ATOM 358 O ASP A 25 3.827 -1.965 -1.721 1.00 0.00 O ATOM 359 CB ASP A 25 1.214 -3.255 -1.099 1.00 0.00 C ATOM 360 CG ASP A 25 1.887 -4.578 -0.723 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.230 -4.732 0.470 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.055 -5.408 -1.643 1.00 0.00 O ATOM 0 H ASP A 25 1.221 -0.752 -1.837 1.00 0.00 H new ATOM 0 HA ASP A 25 1.633 -2.198 0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.152 -3.304 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.290 -3.099 -2.175 1.00 0.00 H new ATOM 367 N PHE A 26 4.148 -2.131 0.480 1.00 0.00 N ATOM 368 CA PHE A 26 5.593 -2.208 0.373 1.00 0.00 C ATOM 369 C PHE A 26 5.888 -3.661 0.031 1.00 0.00 C ATOM 370 O PHE A 26 5.680 -4.531 0.877 1.00 0.00 O ATOM 371 CB PHE A 26 6.235 -1.800 1.701 1.00 0.00 C ATOM 372 CG PHE A 26 6.197 -0.313 2.010 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.984 0.356 2.269 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.408 0.392 2.121 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.992 1.703 2.667 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.417 1.727 2.551 1.00 0.00 C ATOM 377 CZ PHE A 26 6.210 2.374 2.861 1.00 0.00 C ATOM 0 H PHE A 26 3.800 -2.137 1.439 1.00 0.00 H new ATOM 0 HA PHE A 26 5.997 -1.537 -0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.734 -2.335 2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.275 -2.128 1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.046 -0.168 2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.338 -0.098 1.873 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.059 2.224 2.824 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.353 2.258 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.218 3.383 3.247 1.00 0.00 H new ATOM 387 N TRP A 27 6.310 -3.919 -1.209 1.00 0.00 N ATOM 388 CA TRP A 27 6.566 -5.270 -1.696 1.00 0.00 C ATOM 389 C TRP A 27 7.986 -5.383 -2.230 1.00 0.00 C ATOM 390 O TRP A 27 8.768 -4.435 -2.163 1.00 0.00 O ATOM 391 CB TRP A 27 5.565 -5.621 -2.806 1.00 0.00 C ATOM 392 CG TRP A 27 5.864 -4.995 -4.132 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.745 -3.686 -4.432 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.484 -5.615 -5.293 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.332 -3.429 -5.655 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.826 -4.589 -6.221 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.846 -6.937 -5.630 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.529 -4.864 -7.404 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.471 -7.229 -6.854 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.805 -6.196 -7.746 1.00 0.00 C ATOM 0 H TRP A 27 6.483 -3.192 -1.903 1.00 0.00 H new ATOM 0 HA TRP A 27 6.447 -5.968 -0.867 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.541 -6.704 -2.927 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.568 -5.313 -2.490 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.262 -2.948 -3.808 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.393 -2.506 -6.084 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.639 -7.738 -4.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.854 -4.058 -8.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.696 -8.254 -7.111 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.273 -6.427 -8.692 1.00 0.00 H new ATOM 411 N ALA A 28 8.321 -6.547 -2.793 1.00 0.00 N ATOM 412 CA ALA A 28 9.598 -6.793 -3.459 1.00 0.00 C ATOM 413 C ALA A 28 9.593 -8.147 -4.178 1.00 0.00 C ATOM 414 O ALA A 28 9.047 -9.117 -3.653 1.00 0.00 O ATOM 415 CB ALA A 28 10.753 -6.804 -2.454 1.00 0.00 C ATOM 0 H ALA A 28 7.701 -7.357 -2.798 1.00 0.00 H new ATOM 0 HA ALA A 28 9.735 -5.986 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.690 -6.989 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.805 -5.840 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.588 -7.591 -1.718 1.00 0.00 H new ATOM 421 N PRO A 29 10.206 -8.263 -5.364 1.00 0.00 N ATOM 422 CA PRO A 29 10.333 -9.531 -6.045 1.00 0.00 C ATOM 423 C PRO A 29 11.407 -10.356 -5.336 1.00 0.00 C ATOM 424 O PRO A 29 12.593 -10.065 -5.443 1.00 0.00 O ATOM 425 CB PRO A 29 10.755 -9.215 -7.462 1.00 0.00 C ATOM 426 CG PRO A 29 11.524 -7.896 -7.316 1.00 0.00 C ATOM 427 CD PRO A 29 10.820 -7.206 -6.141 1.00 0.00 C ATOM 0 HA PRO A 29 9.403 -10.100 -6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.383 -10.002 -7.880 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.895 -9.108 -8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.580 -8.067 -7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.471 -7.297 -8.225 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.531 -6.642 -5.538 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.071 -6.498 -6.497 1.00 0.00 H new ATOM 435 N TRP A 30 10.940 -11.389 -4.648 1.00 0.00 N ATOM 436 CA TRP A 30 11.597 -12.339 -3.752 1.00 0.00 C ATOM 437 C TRP A 30 10.648 -12.522 -2.570 1.00 0.00 C ATOM 438 O TRP A 30 10.584 -13.593 -1.967 1.00 0.00 O ATOM 439 CB TRP A 30 13.007 -11.925 -3.265 1.00 0.00 C ATOM 440 CG TRP A 30 13.212 -10.634 -2.505 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.955 -9.592 -2.943 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.801 -10.262 -1.149 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.970 -8.580 -2.010 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.250 -8.932 -0.887 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.128 -10.920 -0.094 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.970 -8.266 0.317 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.810 -10.250 1.102 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.199 -8.915 1.296 1.00 0.00 C ATOM 0 H TRP A 30 9.947 -11.613 -4.715 1.00 0.00 H new ATOM 0 HA TRP A 30 11.782 -13.261 -4.302 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.378 -12.732 -2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.651 -11.886 -4.143 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.466 -9.559 -3.894 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.450 -7.688 -2.133 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.852 -11.958 -0.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.343 -7.267 0.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.263 -10.767 1.876 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.907 -8.390 2.193 1.00 0.00 H new ATOM 459 N CYS A 31 9.874 -11.474 -2.254 1.00 0.00 N ATOM 460 CA CYS A 31 8.944 -11.525 -1.133 1.00 0.00 C ATOM 461 C CYS A 31 7.726 -12.371 -1.502 1.00 0.00 C ATOM 462 O CYS A 31 6.695 -11.838 -1.903 1.00 0.00 O ATOM 463 CB CYS A 31 8.521 -10.118 -0.710 1.00 0.00 C ATOM 464 SG CYS A 31 7.292 -10.122 0.610 1.00 0.00 S ATOM 0 H CYS A 31 9.878 -10.588 -2.760 1.00 0.00 H new ATOM 0 HA CYS A 31 9.447 -11.989 -0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.400 -9.564 -0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.117 -9.590 -1.574 1.00 0.00 H new ATOM 469 N GLY A 32 7.843 -13.696 -1.371 1.00 0.00 N ATOM 470 CA GLY A 32 6.760 -14.647 -1.622 1.00 0.00 C ATOM 471 C GLY A 32 5.413 -14.154 -1.070 1.00 0.00 C ATOM 472 O GLY A 32 4.468 -13.985 -1.842 1.00 0.00 O ATOM 0 H GLY A 32 8.712 -14.145 -1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.670 -14.818 -2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.008 -15.606 -1.167 1.00 0.00 H new ATOM 476 N PRO A 33 5.317 -13.896 0.247 1.00 0.00 N ATOM 477 CA PRO A 33 4.128 -13.349 0.884 1.00 0.00 C ATOM 478 C PRO A 33 3.551 -12.124 0.170 1.00 0.00 C ATOM 479 O PRO A 33 2.340 -11.932 0.157 1.00 0.00 O ATOM 480 CB PRO A 33 4.563 -13.016 2.312 1.00 0.00 C ATOM 481 CG PRO A 33 5.579 -14.109 2.606 1.00 0.00 C ATOM 482 CD PRO A 33 6.305 -14.235 1.262 1.00 0.00 C ATOM 0 HA PRO A 33 3.313 -14.072 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.004 -12.022 2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.725 -13.042 3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.257 -13.830 3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.101 -15.043 2.901 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.161 -13.562 1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.686 -15.246 1.116 1.00 0.00 H new ATOM 490 N CYS A 34 4.401 -11.283 -0.420 1.00 0.00 N ATOM 491 CA CYS A 34 3.953 -10.114 -1.149 1.00 0.00 C ATOM 492 C CYS A 34 3.480 -10.537 -2.535 1.00 0.00 C ATOM 493 O CYS A 34 2.436 -10.095 -2.994 1.00 0.00 O ATOM 494 CB CYS A 34 5.075 -9.096 -1.334 1.00 0.00 C ATOM 495 SG CYS A 34 6.052 -8.534 0.084 1.00 0.00 S ATOM 0 H CYS A 34 5.414 -11.399 -0.402 1.00 0.00 H new ATOM 0 HA CYS A 34 3.149 -9.657 -0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.773 -9.515 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.633 -8.211 -1.791 1.00 0.00 H new ATOM 500 N ARG A 35 4.265 -11.375 -3.218 1.00 0.00 N ATOM 501 CA ARG A 35 4.010 -11.853 -4.571 1.00 0.00 C ATOM 502 C ARG A 35 2.601 -12.409 -4.699 1.00 0.00 C ATOM 503 O ARG A 35 1.871 -12.065 -5.624 1.00 0.00 O ATOM 504 CB ARG A 35 5.040 -12.940 -4.910 1.00 0.00 C ATOM 505 CG ARG A 35 4.998 -13.471 -6.351 1.00 0.00 C ATOM 506 CD ARG A 35 5.144 -12.390 -7.428 1.00 0.00 C ATOM 507 NE ARG A 35 3.858 -11.746 -7.725 1.00 0.00 N ATOM 508 CZ ARG A 35 3.635 -10.925 -8.759 1.00 0.00 C ATOM 509 NH1 ARG A 35 4.641 -10.557 -9.561 1.00 0.00 N ATOM 510 NH2 ARG A 35 2.395 -10.481 -8.983 1.00 0.00 N ATOM 0 H ARG A 35 5.128 -11.751 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 35 4.101 -11.020 -5.268 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.037 -12.543 -4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.894 -13.778 -4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.795 -14.204 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.055 -13.995 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.860 -11.638 -7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.548 -12.834 -8.338 1.00 0.00 H new ATOM 0 HE ARG A 35 3.077 -11.938 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.585 -10.902 -9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.464 -9.931 -10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.632 -10.768 -8.370 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.211 -9.855 -9.767 1.00 0.00 H new ATOM 524 N ILE A 36 2.241 -13.295 -3.773 1.00 0.00 N ATOM 525 CA ILE A 36 0.919 -13.917 -3.774 1.00 0.00 C ATOM 526 C ILE A 36 -0.183 -12.881 -3.502 1.00 0.00 C ATOM 527 O ILE A 36 -1.293 -13.027 -4.005 1.00 0.00 O ATOM 528 CB ILE A 36 0.873 -15.086 -2.775 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.046 -14.575 -1.337 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.949 -16.114 -3.155 1.00 0.00 C ATOM 531 CD1 ILE A 36 1.116 -15.684 -0.295 1.00 0.00 C ATOM 0 H ILE A 36 2.847 -13.599 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 36 0.730 -14.325 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.100 -15.575 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.956 -13.978 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.215 -13.913 -1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.922 -16.946 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.758 -16.485 -4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.931 -15.642 -3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.238 -15.246 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.196 -16.268 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.964 -16.334 -0.511 1.00 0.00 H new ATOM 543 N ILE A 37 0.108 -11.857 -2.694 1.00 0.00 N ATOM 544 CA ILE A 37 -0.819 -10.778 -2.356 1.00 0.00 C ATOM 545 C ILE A 37 -0.967 -9.764 -3.507 1.00 0.00 C ATOM 546 O ILE A 37 -2.067 -9.280 -3.748 1.00 0.00 O ATOM 547 CB ILE A 37 -0.347 -10.135 -1.033 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.630 -11.060 0.163 1.00 0.00 C ATOM 549 CG2 ILE A 37 -0.977 -8.766 -0.758 1.00 0.00 C ATOM 550 CD1 ILE A 37 -2.108 -11.221 0.541 1.00 0.00 C ATOM 0 H ILE A 37 1.019 -11.755 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.823 -11.178 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 37 0.726 -9.987 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.221 -12.046 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.091 -10.678 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.600 -8.375 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.720 -8.079 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.061 -8.869 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.194 -11.893 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.525 -10.248 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.656 -11.637 -0.304 1.00 0.00 H new ATOM 562 N ALA A 38 0.091 -9.446 -4.254 1.00 0.00 N ATOM 563 CA ALA A 38 0.092 -8.471 -5.346 1.00 0.00 C ATOM 564 C ALA A 38 -1.168 -8.489 -6.246 1.00 0.00 C ATOM 565 O ALA A 38 -1.728 -7.418 -6.480 1.00 0.00 O ATOM 566 CB ALA A 38 1.376 -8.650 -6.165 1.00 0.00 C ATOM 0 H ALA A 38 1.005 -9.876 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 38 0.063 -7.483 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.390 -7.929 -6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.242 -8.488 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.410 -9.661 -6.572 1.00 0.00 H new ATOM 572 N PRO A 39 -1.660 -9.636 -6.753 1.00 0.00 N ATOM 573 CA PRO A 39 -2.867 -9.681 -7.573 1.00 0.00 C ATOM 574 C PRO A 39 -4.075 -9.207 -6.761 1.00 0.00 C ATOM 575 O PRO A 39 -4.975 -8.550 -7.277 1.00 0.00 O ATOM 576 CB PRO A 39 -3.045 -11.145 -8.005 1.00 0.00 C ATOM 577 CG PRO A 39 -1.700 -11.798 -7.687 1.00 0.00 C ATOM 578 CD PRO A 39 -1.229 -10.989 -6.484 1.00 0.00 C ATOM 0 HA PRO A 39 -2.783 -9.026 -8.440 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.859 -11.624 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.283 -11.221 -9.066 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.807 -12.857 -7.450 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.005 -11.727 -8.523 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.666 -11.366 -5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.146 -11.043 -6.371 1.00 0.00 H new ATOM 586 N VAL A 40 -4.086 -9.554 -5.473 1.00 0.00 N ATOM 587 CA VAL A 40 -5.115 -9.153 -4.540 1.00 0.00 C ATOM 588 C VAL A 40 -5.024 -7.634 -4.377 1.00 0.00 C ATOM 589 O VAL A 40 -6.039 -6.950 -4.439 1.00 0.00 O ATOM 590 CB VAL A 40 -4.966 -9.912 -3.207 1.00 0.00 C ATOM 591 CG1 VAL A 40 -6.229 -9.731 -2.373 1.00 0.00 C ATOM 592 CG2 VAL A 40 -4.747 -11.418 -3.422 1.00 0.00 C ATOM 0 H VAL A 40 -3.361 -10.134 -5.051 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.107 -9.408 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.094 -9.501 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.123 -10.268 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.383 -8.671 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.086 -10.124 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.647 -11.913 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.599 -11.837 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.839 -11.574 -4.005 1.00 0.00 H new ATOM 602 N VAL A 41 -3.815 -7.086 -4.209 1.00 0.00 N ATOM 603 CA VAL A 41 -3.624 -5.637 -4.125 1.00 0.00 C ATOM 604 C VAL A 41 -4.260 -4.991 -5.365 1.00 0.00 C ATOM 605 O VAL A 41 -5.041 -4.049 -5.253 1.00 0.00 O ATOM 606 CB VAL A 41 -2.127 -5.278 -3.997 1.00 0.00 C ATOM 607 CG1 VAL A 41 -1.935 -3.770 -3.823 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.476 -5.974 -2.802 1.00 0.00 C ATOM 0 H VAL A 41 -2.954 -7.627 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.110 -5.251 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.653 -5.616 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.872 -3.546 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.345 -3.249 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.451 -3.439 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.424 -5.695 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.980 -5.670 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.559 -7.054 -2.920 1.00 0.00 H new ATOM 618 N ASP A 42 -3.958 -5.532 -6.550 1.00 0.00 N ATOM 619 CA ASP A 42 -4.515 -5.033 -7.800 1.00 0.00 C ATOM 620 C ASP A 42 -6.046 -5.114 -7.825 1.00 0.00 C ATOM 621 O ASP A 42 -6.705 -4.116 -8.110 1.00 0.00 O ATOM 622 CB ASP A 42 -3.926 -5.808 -8.984 1.00 0.00 C ATOM 623 CG ASP A 42 -2.525 -5.340 -9.339 1.00 0.00 C ATOM 624 OD1 ASP A 42 -2.393 -4.148 -9.703 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.596 -6.171 -9.305 1.00 0.00 O ATOM 0 H ASP A 42 -3.324 -6.323 -6.664 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.244 -3.980 -7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.902 -6.871 -8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.576 -5.692 -9.851 1.00 0.00 H new ATOM 630 N GLU A 43 -6.646 -6.274 -7.557 1.00 0.00 N ATOM 631 CA GLU A 43 -8.100 -6.364 -7.633 1.00 0.00 C ATOM 632 C GLU A 43 -8.748 -5.439 -6.595 1.00 0.00 C ATOM 633 O GLU A 43 -9.741 -4.772 -6.888 1.00 0.00 O ATOM 634 CB GLU A 43 -8.547 -7.823 -7.522 1.00 0.00 C ATOM 635 CG GLU A 43 -8.739 -8.336 -6.092 1.00 0.00 C ATOM 636 CD GLU A 43 -8.868 -9.852 -6.078 1.00 0.00 C ATOM 637 OE1 GLU A 43 -7.848 -10.518 -6.358 1.00 0.00 O ATOM 638 OE2 GLU A 43 -9.988 -10.324 -5.789 1.00 0.00 O ATOM 0 H GLU A 43 -6.167 -7.135 -7.294 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.443 -6.013 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.486 -7.941 -8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.810 -8.452 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.894 -8.032 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.631 -7.886 -5.655 1.00 0.00 H new ATOM 645 N ILE A 44 -8.171 -5.367 -5.391 1.00 0.00 N ATOM 646 CA ILE A 44 -8.636 -4.455 -4.359 1.00 0.00 C ATOM 647 C ILE A 44 -8.596 -3.041 -4.929 1.00 0.00 C ATOM 648 O ILE A 44 -9.554 -2.285 -4.754 1.00 0.00 O ATOM 649 CB ILE A 44 -7.802 -4.630 -3.076 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.204 -5.965 -2.419 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.045 -3.479 -2.090 1.00 0.00 C ATOM 652 CD1 ILE A 44 -7.423 -6.250 -1.133 1.00 0.00 C ATOM 0 H ILE A 44 -7.374 -5.939 -5.112 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.664 -4.671 -4.069 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.743 -4.627 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.271 -5.948 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.039 -6.778 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.442 -3.633 -1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.767 -2.535 -2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.100 -3.451 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.747 -7.202 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.357 -6.296 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.608 -5.454 -0.411 1.00 0.00 H new ATOM 664 N ALA A 45 -7.512 -2.675 -5.624 1.00 0.00 N ATOM 665 CA ALA A 45 -7.435 -1.383 -6.289 1.00 0.00 C ATOM 666 C ALA A 45 -8.661 -1.213 -7.178 1.00 0.00 C ATOM 667 O ALA A 45 -9.379 -0.230 -7.049 1.00 0.00 O ATOM 668 CB ALA A 45 -6.162 -1.268 -7.129 1.00 0.00 C ATOM 0 H ALA A 45 -6.683 -3.258 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.407 -0.598 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.133 -0.292 -7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.290 -1.380 -6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.155 -2.050 -7.888 1.00 0.00 H new ATOM 674 N GLY A 46 -8.927 -2.186 -8.052 1.00 0.00 N ATOM 675 CA GLY A 46 -10.095 -2.139 -8.918 1.00 0.00 C ATOM 676 C GLY A 46 -11.378 -1.862 -8.130 1.00 0.00 C ATOM 677 O GLY A 46 -12.171 -1.006 -8.517 1.00 0.00 O ATOM 0 H GLY A 46 -8.345 -3.015 -8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.957 -1.364 -9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.192 -3.086 -9.449 1.00 0.00 H new ATOM 681 N GLU A 47 -11.575 -2.571 -7.015 1.00 0.00 N ATOM 682 CA GLU A 47 -12.755 -2.430 -6.178 1.00 0.00 C ATOM 683 C GLU A 47 -12.908 -1.035 -5.549 1.00 0.00 C ATOM 684 O GLU A 47 -14.024 -0.522 -5.509 1.00 0.00 O ATOM 685 CB GLU A 47 -12.715 -3.504 -5.082 1.00 0.00 C ATOM 686 CG GLU A 47 -12.911 -4.929 -5.626 1.00 0.00 C ATOM 687 CD GLU A 47 -12.821 -5.993 -4.529 1.00 0.00 C ATOM 688 OE1 GLU A 47 -11.902 -5.878 -3.690 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.666 -6.916 -4.549 1.00 0.00 O ATOM 0 H GLU A 47 -10.910 -3.263 -6.671 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.624 -2.560 -6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.759 -3.448 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.491 -3.293 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.883 -4.997 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.157 -5.131 -6.386 1.00 0.00 H new ATOM 696 N TYR A 48 -11.823 -0.444 -5.030 1.00 0.00 N ATOM 697 CA TYR A 48 -11.886 0.809 -4.252 1.00 0.00 C ATOM 698 C TYR A 48 -11.149 2.021 -4.854 1.00 0.00 C ATOM 699 O TYR A 48 -11.066 3.068 -4.200 1.00 0.00 O ATOM 700 CB TYR A 48 -11.369 0.507 -2.837 1.00 0.00 C ATOM 701 CG TYR A 48 -12.215 -0.519 -2.108 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.458 -0.140 -1.568 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.854 -1.878 -2.134 1.00 0.00 C ATOM 704 CE1 TYR A 48 -14.342 -1.114 -1.075 1.00 0.00 C ATOM 705 CE2 TYR A 48 -12.752 -2.855 -1.672 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.999 -2.474 -1.152 1.00 0.00 C ATOM 707 OH TYR A 48 -14.870 -3.429 -0.721 1.00 0.00 O ATOM 0 H TYR A 48 -10.879 -0.816 -5.135 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.929 1.124 -4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.342 0.146 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.347 1.430 -2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.733 0.904 -1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.885 -2.171 -2.510 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.284 -0.818 -0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.483 -3.900 -1.717 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.430 -3.062 -0.005 1.00 0.00 H new ATOM 717 N LYS A 49 -10.672 1.908 -6.099 1.00 0.00 N ATOM 718 CA LYS A 49 -9.917 2.919 -6.843 1.00 0.00 C ATOM 719 C LYS A 49 -10.458 4.333 -6.610 1.00 0.00 C ATOM 720 O LYS A 49 -9.694 5.266 -6.377 1.00 0.00 O ATOM 721 CB LYS A 49 -9.967 2.584 -8.349 1.00 0.00 C ATOM 722 CG LYS A 49 -8.571 2.274 -8.903 1.00 0.00 C ATOM 723 CD LYS A 49 -8.673 1.795 -10.357 1.00 0.00 C ATOM 724 CE LYS A 49 -7.343 1.215 -10.850 1.00 0.00 C ATOM 725 NZ LYS A 49 -6.268 2.222 -10.869 1.00 0.00 N ATOM 0 H LYS A 49 -10.812 1.058 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.888 2.901 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.622 1.728 -8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.398 3.423 -8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.944 3.164 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.091 1.509 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.454 1.039 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.968 2.627 -10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.050 0.386 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.475 0.809 -11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.345 1.746 -10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.317 2.765 -11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.382 2.866 -10.061 1.00 0.00 H new ATOM 739 N ASP A 50 -11.787 4.454 -6.698 1.00 0.00 N ATOM 740 CA ASP A 50 -12.590 5.657 -6.517 1.00 0.00 C ATOM 741 C ASP A 50 -11.974 6.661 -5.539 1.00 0.00 C ATOM 742 O ASP A 50 -11.728 7.813 -5.885 1.00 0.00 O ATOM 743 CB ASP A 50 -13.965 5.206 -6.006 1.00 0.00 C ATOM 744 CG ASP A 50 -14.939 6.365 -5.841 1.00 0.00 C ATOM 745 OD1 ASP A 50 -15.023 7.182 -6.782 1.00 0.00 O ATOM 746 OD2 ASP A 50 -15.595 6.401 -4.778 1.00 0.00 O ATOM 0 H ASP A 50 -12.370 3.646 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.655 6.179 -7.472 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.386 4.479 -6.701 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.844 4.699 -5.049 1.00 0.00 H new ATOM 751 N LYS A 51 -11.760 6.203 -4.305 1.00 0.00 N ATOM 752 CA LYS A 51 -11.209 7.004 -3.211 1.00 0.00 C ATOM 753 C LYS A 51 -9.816 6.537 -2.794 1.00 0.00 C ATOM 754 O LYS A 51 -9.004 7.334 -2.325 1.00 0.00 O ATOM 755 CB LYS A 51 -12.135 6.892 -1.995 1.00 0.00 C ATOM 756 CG LYS A 51 -13.458 7.632 -2.215 1.00 0.00 C ATOM 757 CD LYS A 51 -14.380 7.468 -0.999 1.00 0.00 C ATOM 758 CE LYS A 51 -15.054 6.091 -0.922 1.00 0.00 C ATOM 759 NZ LYS A 51 -16.038 5.896 -2.003 1.00 0.00 N ATOM 0 H LYS A 51 -11.970 5.243 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.133 8.032 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.337 5.841 -1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.633 7.299 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.264 8.690 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.952 7.247 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.801 7.632 -0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.150 8.239 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.294 5.312 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.549 5.983 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.420 4.930 -1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.813 6.581 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.576 6.040 -2.923 1.00 0.00 H new ATOM 773 N LEU A 52 -9.572 5.232 -2.925 1.00 0.00 N ATOM 774 CA LEU A 52 -8.358 4.603 -2.451 1.00 0.00 C ATOM 775 C LEU A 52 -7.346 4.441 -3.583 1.00 0.00 C ATOM 776 O LEU A 52 -7.459 3.540 -4.414 1.00 0.00 O ATOM 777 CB LEU A 52 -8.744 3.256 -1.829 1.00 0.00 C ATOM 778 CG LEU A 52 -7.623 2.673 -0.961 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.516 3.421 0.378 1.00 0.00 C ATOM 780 CD2 LEU A 52 -7.955 1.198 -0.715 1.00 0.00 C ATOM 0 H LEU A 52 -10.223 4.584 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.873 5.226 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.641 3.382 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.991 2.550 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.664 2.778 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.713 2.987 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.301 4.473 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.458 3.334 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.177 0.748 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.914 1.121 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.011 0.674 -1.669 1.00 0.00 H new ATOM 792 N LYS A 53 -6.306 5.267 -3.588 1.00 0.00 N ATOM 793 CA LYS A 53 -5.256 5.207 -4.586 1.00 0.00 C ATOM 794 C LYS A 53 -4.343 4.049 -4.184 1.00 0.00 C ATOM 795 O LYS A 53 -3.424 4.192 -3.383 1.00 0.00 O ATOM 796 CB LYS A 53 -4.531 6.561 -4.627 1.00 0.00 C ATOM 797 CG LYS A 53 -3.948 6.906 -6.003 1.00 0.00 C ATOM 798 CD LYS A 53 -2.818 5.965 -6.440 1.00 0.00 C ATOM 799 CE LYS A 53 -2.259 6.441 -7.787 1.00 0.00 C ATOM 800 NZ LYS A 53 -1.165 5.577 -8.258 1.00 0.00 N ATOM 0 H LYS A 53 -6.171 6.001 -2.893 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.632 5.027 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.227 7.345 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.726 6.555 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.745 6.873 -6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.572 7.929 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.028 5.952 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.191 4.945 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.058 6.454 -8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.898 7.465 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.835 5.910 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.378 5.611 -7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.507 4.599 -8.342 1.00 0.00 H new ATOM 814 N CYS A 54 -4.629 2.855 -4.691 1.00 0.00 N ATOM 815 CA CYS A 54 -3.844 1.690 -4.322 1.00 0.00 C ATOM 816 C CYS A 54 -2.530 1.661 -5.112 1.00 0.00 C ATOM 817 O CYS A 54 -2.525 1.942 -6.314 1.00 0.00 O ATOM 818 CB CYS A 54 -4.665 0.436 -4.557 1.00 0.00 C ATOM 819 SG CYS A 54 -3.676 -0.964 -4.014 1.00 0.00 S ATOM 0 H CYS A 54 -5.387 2.672 -5.348 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.587 1.740 -3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.602 0.482 -4.003 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.923 0.338 -5.612 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.854 -0.579 -3.084 1.00 0.00 H new ATOM 825 N VAL A 55 -1.411 1.353 -4.447 1.00 0.00 N ATOM 826 CA VAL A 55 -0.091 1.344 -5.057 1.00 0.00 C ATOM 827 C VAL A 55 0.804 0.272 -4.441 1.00 0.00 C ATOM 828 O VAL A 55 0.438 -0.369 -3.456 1.00 0.00 O ATOM 829 CB VAL A 55 0.557 2.740 -4.944 1.00 0.00 C ATOM 830 CG1 VAL A 55 0.514 3.388 -6.323 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.098 3.692 -3.936 1.00 0.00 C ATOM 0 H VAL A 55 -1.404 1.101 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.207 1.098 -6.113 1.00 0.00 H new ATOM 0 HB VAL A 55 1.569 2.577 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.966 4.379 -6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.067 2.772 -7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.522 3.478 -6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.434 4.643 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.138 3.858 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.056 3.252 -2.940 1.00 0.00 H new ATOM 841 N LYS A 56 1.989 0.092 -5.029 1.00 0.00 N ATOM 842 CA LYS A 56 2.956 -0.920 -4.647 1.00 0.00 C ATOM 843 C LYS A 56 4.388 -0.364 -4.695 1.00 0.00 C ATOM 844 O LYS A 56 4.884 -0.064 -5.781 1.00 0.00 O ATOM 845 CB LYS A 56 2.771 -2.103 -5.609 1.00 0.00 C ATOM 846 CG LYS A 56 2.145 -3.280 -4.854 1.00 0.00 C ATOM 847 CD LYS A 56 1.897 -4.511 -5.730 1.00 0.00 C ATOM 848 CE LYS A 56 0.784 -4.254 -6.752 1.00 0.00 C ATOM 849 NZ LYS A 56 0.385 -5.500 -7.424 1.00 0.00 N ATOM 0 H LYS A 56 2.305 0.669 -5.808 1.00 0.00 H new ATOM 0 HA LYS A 56 2.794 -1.243 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.133 -1.811 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.732 -2.397 -6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.799 -3.559 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.199 -2.959 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.816 -4.780 -6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.627 -5.359 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.079 -3.814 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.126 -3.531 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.187 -5.274 -8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.234 -6.025 -7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.175 -6.083 -6.770 1.00 0.00 H new ATOM 863 N LEU A 57 5.067 -0.231 -3.546 1.00 0.00 N ATOM 864 CA LEU A 57 6.442 0.278 -3.497 1.00 0.00 C ATOM 865 C LEU A 57 7.443 -0.867 -3.549 1.00 0.00 C ATOM 866 O LEU A 57 7.371 -1.786 -2.734 1.00 0.00 O ATOM 867 CB LEU A 57 6.701 1.106 -2.228 1.00 0.00 C ATOM 868 CG LEU A 57 8.139 1.652 -2.137 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.160 3.124 -1.709 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.922 0.853 -1.092 1.00 0.00 C ATOM 0 H LEU A 57 4.681 -0.471 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 57 6.569 0.922 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.001 1.941 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.498 0.489 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 57 8.586 1.560 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.191 3.473 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.611 3.722 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.692 3.225 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.940 1.238 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.435 0.948 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.950 -0.197 -1.383 1.00 0.00 H new ATOM 882 N ASN A 58 8.401 -0.819 -4.479 1.00 0.00 N ATOM 883 CA ASN A 58 9.464 -1.815 -4.478 1.00 0.00 C ATOM 884 C ASN A 58 10.458 -1.434 -3.379 1.00 0.00 C ATOM 885 O ASN A 58 11.198 -0.461 -3.488 1.00 0.00 O ATOM 886 CB ASN A 58 10.130 -1.932 -5.845 1.00 0.00 C ATOM 887 CG ASN A 58 11.194 -3.030 -5.817 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.106 -3.018 -4.995 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.073 -4.017 -6.694 1.00 0.00 N ATOM 0 H ASN A 58 8.460 -0.121 -5.220 1.00 0.00 H new ATOM 0 HA ASN A 58 9.052 -2.803 -4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.382 -2.159 -6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.585 -0.980 -6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.745 -4.785 -6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.308 -4.009 -7.369 1.00 0.00 H new ATOM 896 N THR A 59 10.459 -2.227 -2.316 1.00 0.00 N ATOM 897 CA THR A 59 11.208 -2.003 -1.089 1.00 0.00 C ATOM 898 C THR A 59 12.705 -2.203 -1.302 1.00 0.00 C ATOM 899 O THR A 59 13.513 -1.521 -0.681 1.00 0.00 O ATOM 900 CB THR A 59 10.653 -2.955 -0.020 1.00 0.00 C ATOM 901 OG1 THR A 59 9.243 -2.826 0.033 1.00 0.00 O ATOM 902 CG2 THR A 59 11.216 -2.649 1.368 1.00 0.00 C ATOM 0 H THR A 59 9.910 -3.086 -2.286 1.00 0.00 H new ATOM 0 HA THR A 59 11.088 -0.970 -0.762 1.00 0.00 H new ATOM 0 HB THR A 59 10.948 -3.967 -0.297 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.837 -3.393 -0.656 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.796 -3.347 2.093 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.301 -2.752 1.351 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.953 -1.630 1.651 1.00 0.00 H new ATOM 910 N ASP A 60 13.079 -3.125 -2.187 1.00 0.00 N ATOM 911 CA ASP A 60 14.476 -3.419 -2.484 1.00 0.00 C ATOM 912 C ASP A 60 15.125 -2.193 -3.142 1.00 0.00 C ATOM 913 O ASP A 60 16.251 -1.807 -2.840 1.00 0.00 O ATOM 914 CB ASP A 60 14.502 -4.651 -3.398 1.00 0.00 C ATOM 915 CG ASP A 60 15.807 -5.430 -3.289 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.845 -4.907 -3.748 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.728 -6.551 -2.737 1.00 0.00 O ATOM 0 H ASP A 60 12.418 -3.690 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 60 15.046 -3.636 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.669 -5.306 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.356 -4.336 -4.431 1.00 0.00 H new ATOM 922 N GLU A 61 14.344 -1.567 -4.027 1.00 0.00 N ATOM 923 CA GLU A 61 14.671 -0.383 -4.804 1.00 0.00 C ATOM 924 C GLU A 61 14.408 0.914 -4.022 1.00 0.00 C ATOM 925 O GLU A 61 14.976 1.957 -4.340 1.00 0.00 O ATOM 926 CB GLU A 61 13.808 -0.455 -6.065 1.00 0.00 C ATOM 927 CG GLU A 61 14.037 0.674 -7.076 1.00 0.00 C ATOM 928 CD GLU A 61 13.177 0.475 -8.322 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.079 -0.103 -8.162 1.00 0.00 O ATOM 930 OE2 GLU A 61 13.635 0.897 -9.405 1.00 0.00 O ATOM 0 H GLU A 61 13.402 -1.903 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 61 15.734 -0.363 -5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.994 -1.408 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.759 -0.449 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.800 1.633 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.089 0.707 -7.358 1.00 0.00 H new ATOM 937 N SER A 62 13.517 0.896 -3.028 1.00 0.00 N ATOM 938 CA SER A 62 13.185 2.057 -2.214 1.00 0.00 C ATOM 939 C SER A 62 13.130 1.707 -0.720 1.00 0.00 C ATOM 940 O SER A 62 12.104 1.899 -0.069 1.00 0.00 O ATOM 941 CB SER A 62 11.894 2.666 -2.748 1.00 0.00 C ATOM 942 OG SER A 62 12.188 3.237 -4.008 1.00 0.00 O ATOM 0 H SER A 62 12.999 0.057 -2.765 1.00 0.00 H new ATOM 0 HA SER A 62 13.971 2.808 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.120 1.904 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.514 3.423 -2.062 1.00 0.00 H new ATOM 0 HG SER A 62 12.979 3.810 -3.931 1.00 0.00 H new ATOM 948 N PRO A 63 14.266 1.265 -0.161 1.00 0.00 N ATOM 949 CA PRO A 63 14.433 0.953 1.242 1.00 0.00 C ATOM 950 C PRO A 63 14.380 2.235 2.070 1.00 0.00 C ATOM 951 O PRO A 63 14.104 2.185 3.260 1.00 0.00 O ATOM 952 CB PRO A 63 15.806 0.290 1.360 1.00 0.00 C ATOM 953 CG PRO A 63 16.592 0.889 0.196 1.00 0.00 C ATOM 954 CD PRO A 63 15.514 1.069 -0.870 1.00 0.00 C ATOM 0 HA PRO A 63 13.644 0.297 1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.277 0.510 2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.736 -0.795 1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.059 1.836 0.466 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.389 0.226 -0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.737 1.925 -1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.459 0.194 -1.518 1.00 0.00 H new ATOM 962 N ASN A 64 14.676 3.376 1.442 1.00 0.00 N ATOM 963 CA ASN A 64 14.658 4.707 2.043 1.00 0.00 C ATOM 964 C ASN A 64 13.424 4.891 2.925 1.00 0.00 C ATOM 965 O ASN A 64 13.507 4.882 4.153 1.00 0.00 O ATOM 966 CB ASN A 64 14.661 5.762 0.925 1.00 0.00 C ATOM 967 CG ASN A 64 16.012 5.913 0.232 1.00 0.00 C ATOM 968 OD1 ASN A 64 16.925 5.121 0.439 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.141 6.913 -0.631 1.00 0.00 N ATOM 0 H ASN A 64 14.946 3.395 0.459 1.00 0.00 H new ATOM 0 HA ASN A 64 15.543 4.824 2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.909 5.495 0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.367 6.724 1.344 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.016 7.037 -1.141 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.366 7.558 -0.784 1.00 0.00 H new ATOM 976 N VAL A 65 12.270 5.026 2.275 1.00 0.00 N ATOM 977 CA VAL A 65 10.976 5.217 2.905 1.00 0.00 C ATOM 978 C VAL A 65 10.745 4.135 3.955 1.00 0.00 C ATOM 979 O VAL A 65 10.338 4.409 5.085 1.00 0.00 O ATOM 980 CB VAL A 65 9.908 5.146 1.806 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.499 5.191 2.393 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.086 6.301 0.815 1.00 0.00 C ATOM 0 H VAL A 65 12.214 5.004 1.257 1.00 0.00 H new ATOM 0 HA VAL A 65 10.928 6.183 3.408 1.00 0.00 H new ATOM 0 HB VAL A 65 10.034 4.196 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.767 5.139 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.358 4.345 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.365 6.121 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.321 6.237 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.991 7.250 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.073 6.238 0.356 1.00 0.00 H new ATOM 992 N ALA A 66 10.995 2.895 3.539 1.00 0.00 N ATOM 993 CA ALA A 66 10.815 1.722 4.381 1.00 0.00 C ATOM 994 C ALA A 66 11.573 1.875 5.701 1.00 0.00 C ATOM 995 O ALA A 66 11.038 1.535 6.752 1.00 0.00 O ATOM 996 CB ALA A 66 11.273 0.476 3.623 1.00 0.00 C ATOM 0 H ALA A 66 11.331 2.678 2.600 1.00 0.00 H new ATOM 0 HA ALA A 66 9.758 1.617 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.138 -0.403 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.681 0.365 2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.326 0.576 3.360 1.00 0.00 H new ATOM 1002 N SER A 67 12.799 2.400 5.646 1.00 0.00 N ATOM 1003 CA SER A 67 13.648 2.619 6.806 1.00 0.00 C ATOM 1004 C SER A 67 13.160 3.822 7.608 1.00 0.00 C ATOM 1005 O SER A 67 13.114 3.766 8.832 1.00 0.00 O ATOM 1006 CB SER A 67 15.099 2.823 6.358 1.00 0.00 C ATOM 1007 OG SER A 67 15.525 1.727 5.574 1.00 0.00 O ATOM 0 H SER A 67 13.234 2.690 4.770 1.00 0.00 H new ATOM 0 HA SER A 67 13.599 1.741 7.449 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.184 3.745 5.784 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.745 2.929 7.229 1.00 0.00 H new ATOM 0 HG SER A 67 15.074 1.752 4.704 1.00 0.00 H new ATOM 1013 N GLU A 68 12.805 4.909 6.916 1.00 0.00 N ATOM 1014 CA GLU A 68 12.300 6.128 7.541 1.00 0.00 C ATOM 1015 C GLU A 68 11.096 5.800 8.427 1.00 0.00 C ATOM 1016 O GLU A 68 11.036 6.237 9.573 1.00 0.00 O ATOM 1017 CB GLU A 68 11.917 7.152 6.465 1.00 0.00 C ATOM 1018 CG GLU A 68 13.150 7.730 5.758 1.00 0.00 C ATOM 1019 CD GLU A 68 12.757 8.470 4.483 1.00 0.00 C ATOM 1020 OE1 GLU A 68 12.017 9.468 4.614 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.193 8.019 3.402 1.00 0.00 O ATOM 0 H GLU A 68 12.862 4.965 5.899 1.00 0.00 H new ATOM 0 HA GLU A 68 13.082 6.560 8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.266 6.679 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.348 7.962 6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.673 8.410 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.844 6.925 5.516 1.00 0.00 H new ATOM 1028 N TYR A 69 10.138 5.034 7.895 1.00 0.00 N ATOM 1029 CA TYR A 69 8.971 4.619 8.665 1.00 0.00 C ATOM 1030 C TYR A 69 9.330 3.439 9.579 1.00 0.00 C ATOM 1031 O TYR A 69 8.778 3.317 10.669 1.00 0.00 O ATOM 1032 CB TYR A 69 7.815 4.278 7.712 1.00 0.00 C ATOM 1033 CG TYR A 69 6.981 5.487 7.316 1.00 0.00 C ATOM 1034 CD1 TYR A 69 6.320 6.235 8.311 1.00 0.00 C ATOM 1035 CD2 TYR A 69 6.874 5.879 5.968 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.618 7.406 7.973 1.00 0.00 C ATOM 1037 CE2 TYR A 69 6.134 7.027 5.627 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.531 7.802 6.629 1.00 0.00 C ATOM 1039 OH TYR A 69 4.852 8.935 6.294 1.00 0.00 O ATOM 0 H TYR A 69 10.152 4.691 6.934 1.00 0.00 H new ATOM 0 HA TYR A 69 8.644 5.438 9.306 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.220 3.815 6.812 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.169 3.540 8.187 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.353 5.907 9.339 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.359 5.300 5.196 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.148 7.998 8.744 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.030 7.312 4.590 1.00 0.00 H new ATOM 0 HH TYR A 69 5.412 9.493 5.715 1.00 0.00 H new ATOM 1049 N GLY A 70 10.243 2.571 9.141 1.00 0.00 N ATOM 1050 CA GLY A 70 10.722 1.432 9.909 1.00 0.00 C ATOM 1051 C GLY A 70 9.692 0.315 9.901 1.00 0.00 C ATOM 1052 O GLY A 70 9.241 -0.152 10.945 1.00 0.00 O ATOM 0 H GLY A 70 10.677 2.646 8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.661 1.072 9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.928 1.738 10.935 1.00 0.00 H new ATOM 1056 N ILE A 71 9.325 -0.118 8.698 1.00 0.00 N ATOM 1057 CA ILE A 71 8.353 -1.177 8.510 1.00 0.00 C ATOM 1058 C ILE A 71 8.903 -2.522 9.010 1.00 0.00 C ATOM 1059 O ILE A 71 10.077 -2.847 8.823 1.00 0.00 O ATOM 1060 CB ILE A 71 7.947 -1.229 7.029 1.00 0.00 C ATOM 1061 CG1 ILE A 71 9.142 -1.517 6.104 1.00 0.00 C ATOM 1062 CG2 ILE A 71 7.265 0.095 6.644 1.00 0.00 C ATOM 1063 CD1 ILE A 71 8.698 -1.601 4.644 1.00 0.00 C ATOM 0 H ILE A 71 9.698 0.260 7.827 1.00 0.00 H new ATOM 0 HA ILE A 71 7.462 -0.969 9.103 1.00 0.00 H new ATOM 0 HB ILE A 71 7.249 -2.056 6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.890 -0.732 6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.616 -2.453 6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.975 0.063 5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.378 0.240 7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.958 0.921 6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.562 -1.805 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.968 -2.403 4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.246 -0.655 4.346 1.00 0.00 H new ATOM 1075 N ARG A 72 8.041 -3.340 9.621 1.00 0.00 N ATOM 1076 CA ARG A 72 8.427 -4.647 10.136 1.00 0.00 C ATOM 1077 C ARG A 72 8.474 -5.641 8.970 1.00 0.00 C ATOM 1078 O ARG A 72 7.625 -6.524 8.855 1.00 0.00 O ATOM 1079 CB ARG A 72 7.441 -5.076 11.233 1.00 0.00 C ATOM 1080 CG ARG A 72 7.937 -6.299 12.019 1.00 0.00 C ATOM 1081 CD ARG A 72 6.795 -6.903 12.843 1.00 0.00 C ATOM 1082 NE ARG A 72 5.784 -7.508 11.963 1.00 0.00 N ATOM 1083 CZ ARG A 72 4.590 -7.969 12.358 1.00 0.00 C ATOM 1084 NH1 ARG A 72 4.234 -7.909 13.645 1.00 0.00 N ATOM 1085 NH2 ARG A 72 3.755 -8.495 11.457 1.00 0.00 N ATOM 0 H ARG A 72 7.058 -3.111 9.770 1.00 0.00 H new ATOM 0 HA ARG A 72 9.418 -4.612 10.588 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.282 -4.245 11.921 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.476 -5.305 10.781 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.332 -7.046 11.331 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.755 -6.009 12.678 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.190 -7.657 13.524 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.334 -6.129 13.457 1.00 0.00 H new ATOM 0 HE ARG A 72 6.010 -7.583 10.971 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.873 -7.510 14.333 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.323 -8.262 13.939 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.028 -8.544 10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.844 -8.848 11.751 1.00 0.00 H new ATOM 1099 N SER A 73 9.485 -5.495 8.111 1.00 0.00 N ATOM 1100 CA SER A 73 9.670 -6.295 6.905 1.00 0.00 C ATOM 1101 C SER A 73 8.523 -6.013 5.926 1.00 0.00 C ATOM 1102 O SER A 73 7.900 -4.951 5.982 1.00 0.00 O ATOM 1103 CB SER A 73 9.796 -7.790 7.253 1.00 0.00 C ATOM 1104 OG SER A 73 10.244 -8.520 6.124 1.00 0.00 O ATOM 0 H SER A 73 10.217 -4.796 8.242 1.00 0.00 H new ATOM 0 HA SER A 73 10.603 -6.014 6.417 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.494 -7.921 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.832 -8.176 7.585 1.00 0.00 H new ATOM 0 HG SER A 73 10.322 -9.469 6.358 1.00 0.00 H new ATOM 1110 N ILE A 74 8.264 -6.952 5.014 1.00 0.00 N ATOM 1111 CA ILE A 74 7.231 -6.843 3.995 1.00 0.00 C ATOM 1112 C ILE A 74 6.514 -8.192 3.823 1.00 0.00 C ATOM 1113 O ILE A 74 7.126 -9.233 4.063 1.00 0.00 O ATOM 1114 CB ILE A 74 7.854 -6.337 2.679 1.00 0.00 C ATOM 1115 CG1 ILE A 74 9.118 -7.104 2.267 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.155 -4.837 2.815 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.480 -6.763 0.819 1.00 0.00 C ATOM 0 H ILE A 74 8.782 -7.829 4.967 1.00 0.00 H new ATOM 0 HA ILE A 74 6.478 -6.118 4.303 1.00 0.00 H new ATOM 0 HB ILE A 74 7.129 -6.512 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.944 -6.845 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.953 -8.177 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.596 -4.469 1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.230 -4.297 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.853 -4.679 3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.378 -7.309 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.657 -7.044 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.663 -5.692 0.732 1.00 0.00 H new ATOM 1129 N PRO A 75 5.241 -8.216 3.385 1.00 0.00 N ATOM 1130 CA PRO A 75 4.439 -7.071 2.989 1.00 0.00 C ATOM 1131 C PRO A 75 4.011 -6.221 4.176 1.00 0.00 C ATOM 1132 O PRO A 75 3.750 -6.724 5.269 1.00 0.00 O ATOM 1133 CB PRO A 75 3.210 -7.624 2.270 1.00 0.00 C ATOM 1134 CG PRO A 75 3.046 -9.009 2.891 1.00 0.00 C ATOM 1135 CD PRO A 75 4.486 -9.437 3.174 1.00 0.00 C ATOM 0 HA PRO A 75 5.029 -6.418 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.331 -7.001 2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.364 -7.680 1.192 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.450 -8.974 3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.547 -9.699 2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.535 -10.081 4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.893 -10.006 2.339 1.00 0.00 H new ATOM 1143 N THR A 76 3.961 -4.921 3.906 1.00 0.00 N ATOM 1144 CA THR A 76 3.521 -3.892 4.820 1.00 0.00 C ATOM 1145 C THR A 76 2.624 -2.987 3.976 1.00 0.00 C ATOM 1146 O THR A 76 3.102 -2.277 3.091 1.00 0.00 O ATOM 1147 CB THR A 76 4.721 -3.186 5.477 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.333 -4.051 6.415 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.266 -1.934 6.228 1.00 0.00 C ATOM 0 H THR A 76 4.241 -4.546 2.999 1.00 0.00 H new ATOM 0 HA THR A 76 2.961 -4.273 5.674 1.00 0.00 H new ATOM 0 HB THR A 76 5.421 -2.913 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.243 -4.263 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.129 -1.450 6.685 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.790 -1.244 5.531 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.554 -2.214 7.004 1.00 0.00 H new ATOM 1157 N ILE A 77 1.318 -3.087 4.215 1.00 0.00 N ATOM 1158 CA ILE A 77 0.272 -2.352 3.537 1.00 0.00 C ATOM 1159 C ILE A 77 -0.057 -1.156 4.417 1.00 0.00 C ATOM 1160 O ILE A 77 -0.680 -1.309 5.468 1.00 0.00 O ATOM 1161 CB ILE A 77 -0.940 -3.274 3.310 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.541 -4.423 2.365 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.097 -2.466 2.711 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -1.612 -5.512 2.259 1.00 0.00 C ATOM 0 H ILE A 77 0.950 -3.719 4.926 1.00 0.00 H new ATOM 0 HA ILE A 77 0.579 -2.001 2.552 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.264 -3.696 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.344 -4.018 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.389 -4.869 2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.954 -3.121 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.375 -1.665 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.786 -2.036 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.271 -6.293 1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.792 -5.942 3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.536 -5.077 1.878 1.00 0.00 H new ATOM 1176 N MET A 78 0.390 0.028 4.001 1.00 0.00 N ATOM 1177 CA MET A 78 0.165 1.259 4.733 1.00 0.00 C ATOM 1178 C MET A 78 -0.932 2.047 4.036 1.00 0.00 C ATOM 1179 O MET A 78 -0.869 2.280 2.825 1.00 0.00 O ATOM 1180 CB MET A 78 1.457 2.070 4.821 1.00 0.00 C ATOM 1181 CG MET A 78 2.519 1.311 5.615 1.00 0.00 C ATOM 1182 SD MET A 78 4.107 2.151 5.838 1.00 0.00 S ATOM 1183 CE MET A 78 3.654 3.362 7.092 1.00 0.00 C ATOM 0 H MET A 78 0.922 0.154 3.140 1.00 0.00 H new ATOM 0 HA MET A 78 -0.149 1.034 5.752 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.828 2.282 3.818 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.258 3.030 5.297 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.112 1.083 6.600 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.703 0.359 5.117 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.546 3.895 7.422 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.942 4.072 6.672 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.200 2.853 7.942 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.945 2.436 4.810 1.00 0.00 N ATOM 1194 CA VAL A 79 -3.027 3.261 4.312 1.00 0.00 C ATOM 1195 C VAL A 79 -2.721 4.678 4.743 1.00 0.00 C ATOM 1196 O VAL A 79 -2.389 4.897 5.907 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.392 2.846 4.879 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.488 3.804 4.368 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.710 1.398 4.499 1.00 0.00 C ATOM 0 H VAL A 79 -2.032 2.185 5.795 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.092 3.156 3.229 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.359 2.909 5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.453 3.503 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.261 4.821 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.525 3.766 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.681 1.119 4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.733 1.303 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.942 0.739 4.904 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.865 5.616 3.813 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.759 7.039 4.052 1.00 0.00 C ATOM 1211 C PHE A 80 -4.117 7.586 3.629 1.00 0.00 C ATOM 1212 O PHE A 80 -4.665 7.119 2.635 1.00 0.00 O ATOM 1213 CB PHE A 80 -1.593 7.647 3.261 1.00 0.00 C ATOM 1214 CG PHE A 80 -0.217 7.126 3.649 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.173 5.822 3.290 1.00 0.00 C ATOM 1216 CD2 PHE A 80 0.709 7.967 4.294 1.00 0.00 C ATOM 1217 CE1 PHE A 80 1.457 5.353 3.616 1.00 0.00 C ATOM 1218 CE2 PHE A 80 1.985 7.487 4.641 1.00 0.00 C ATOM 1219 CZ PHE A 80 2.355 6.171 4.317 1.00 0.00 C ATOM 0 H PHE A 80 -3.066 5.391 2.839 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.537 7.286 5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.753 7.454 2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.607 8.729 3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.517 5.180 2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.438 8.987 4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.754 4.356 3.325 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.681 8.131 5.157 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.324 5.792 4.606 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.701 8.496 4.405 1.00 0.00 N ATOM 1230 CA LYS A 81 -6.028 9.034 4.109 1.00 0.00 C ATOM 1231 C LYS A 81 -5.844 10.467 3.619 1.00 0.00 C ATOM 1232 O LYS A 81 -5.414 10.671 2.483 1.00 0.00 O ATOM 1233 CB LYS A 81 -7.000 8.800 5.287 1.00 0.00 C ATOM 1234 CG LYS A 81 -6.796 9.450 6.670 1.00 0.00 C ATOM 1235 CD LYS A 81 -5.335 9.727 7.045 1.00 0.00 C ATOM 1236 CE LYS A 81 -5.216 10.395 8.417 1.00 0.00 C ATOM 1237 NZ LYS A 81 -5.514 9.452 9.508 1.00 0.00 N ATOM 0 H LYS A 81 -4.274 8.879 5.248 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.530 8.505 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.988 9.105 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.038 7.723 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.347 10.390 6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.234 8.801 7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.777 8.791 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.881 10.367 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.208 10.791 8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.900 11.242 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.624 9.976 10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.395 8.942 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.734 8.771 9.601 1.00 0.00 H new ATOM 1251 N GLY A 82 -6.082 11.460 4.472 1.00 0.00 N ATOM 1252 CA GLY A 82 -5.804 12.848 4.169 1.00 0.00 C ATOM 1253 C GLY A 82 -4.293 13.083 4.171 1.00 0.00 C ATOM 1254 O GLY A 82 -3.750 13.659 5.114 1.00 0.00 O ATOM 0 H GLY A 82 -6.478 11.315 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.221 13.109 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.283 13.494 4.905 1.00 0.00 H new ATOM 1258 N GLY A 83 -3.601 12.595 3.141 1.00 0.00 N ATOM 1259 CA GLY A 83 -2.165 12.751 2.970 1.00 0.00 C ATOM 1260 C GLY A 83 -1.354 11.822 3.868 1.00 0.00 C ATOM 1261 O GLY A 83 -0.569 11.007 3.390 1.00 0.00 O ATOM 0 H GLY A 83 -4.039 12.068 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.906 12.559 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.889 13.784 3.182 1.00 0.00 H new ATOM 1265 N LYS A 84 -1.529 11.952 5.181 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.773 11.188 6.164 1.00 0.00 C ATOM 1267 C LYS A 84 -1.409 9.824 6.454 1.00 0.00 C ATOM 1268 O LYS A 84 -2.493 9.504 5.962 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.603 12.028 7.432 1.00 0.00 C ATOM 1270 CG LYS A 84 0.095 13.349 7.082 1.00 0.00 C ATOM 1271 CD LYS A 84 0.681 13.971 8.356 1.00 0.00 C ATOM 1272 CE LYS A 84 1.231 15.381 8.110 1.00 0.00 C ATOM 1273 NZ LYS A 84 0.162 16.341 7.778 1.00 0.00 N ATOM 0 H LYS A 84 -2.205 12.596 5.593 1.00 0.00 H new ATOM 0 HA LYS A 84 0.213 10.968 5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.576 12.227 7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.017 11.479 8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.886 13.173 6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.614 14.037 6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.089 14.012 9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.478 13.333 8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.762 15.723 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.956 15.350 7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.535 17.310 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.181 16.159 6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.624 16.232 8.451 1.00 0.00 H new ATOM 1287 N LYS A 85 -0.685 9.020 7.242 1.00 0.00 N ATOM 1288 CA LYS A 85 -1.025 7.654 7.612 1.00 0.00 C ATOM 1289 C LYS A 85 -2.396 7.528 8.276 1.00 0.00 C ATOM 1290 O LYS A 85 -2.875 8.445 8.940 1.00 0.00 O ATOM 1291 CB LYS A 85 0.020 7.107 8.592 1.00 0.00 C ATOM 1292 CG LYS A 85 1.369 6.832 7.922 1.00 0.00 C ATOM 1293 CD LYS A 85 2.400 6.288 8.921 1.00 0.00 C ATOM 1294 CE LYS A 85 1.917 5.020 9.637 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.012 4.361 10.370 1.00 0.00 N ATOM 0 H LYS A 85 0.196 9.326 7.656 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.046 7.087 6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.160 7.821 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.354 6.186 9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.234 6.115 7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.747 7.751 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.330 6.072 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.623 7.056 9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.116 5.276 10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.498 4.327 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.650 3.508 10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.765 4.095 9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.395 5.014 11.083 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.984 6.342 8.120 1.00 0.00 N ATOM 1310 CA CYS A 86 -4.246 5.915 8.703 1.00 0.00 C ATOM 1311 C CYS A 86 -4.054 4.554 9.364 1.00 0.00 C ATOM 1312 O CYS A 86 -4.305 4.398 10.557 1.00 0.00 O ATOM 1313 CB CYS A 86 -5.316 5.790 7.619 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.895 5.522 8.446 1.00 0.00 S ATOM 0 H CYS A 86 -2.562 5.612 7.547 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.565 6.654 9.438 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.351 6.692 7.009 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.088 4.961 6.949 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.377 4.366 8.098 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.593 3.572 8.576 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.374 2.195 9.015 1.00 0.00 C ATOM 1322 C GLU A 87 -2.018 1.685 8.531 1.00 0.00 C ATOM 1323 O GLU A 87 -1.385 2.280 7.657 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.460 1.268 8.448 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.900 1.685 8.774 1.00 0.00 C ATOM 1326 CD GLU A 87 -6.777 1.619 7.530 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -7.035 0.482 7.081 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -7.149 2.702 7.031 1.00 0.00 O ATOM 0 H GLU A 87 -3.358 3.721 7.595 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.408 2.190 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.347 1.220 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.293 0.261 8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.307 1.032 9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.908 2.698 9.177 1.00 0.00 H new ATOM 1335 N THR A 88 -1.588 0.553 9.087 1.00 0.00 N ATOM 1336 CA THR A 88 -0.360 -0.148 8.749 1.00 0.00 C ATOM 1337 C THR A 88 -0.596 -1.623 9.071 1.00 0.00 C ATOM 1338 O THR A 88 -0.500 -2.020 10.231 1.00 0.00 O ATOM 1339 CB THR A 88 0.815 0.461 9.532 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.038 1.785 9.080 1.00 0.00 O ATOM 1341 CG2 THR A 88 2.115 -0.328 9.344 1.00 0.00 C ATOM 0 H THR A 88 -2.116 0.081 9.821 1.00 0.00 H new ATOM 0 HA THR A 88 -0.100 -0.052 7.695 1.00 0.00 H new ATOM 0 HB THR A 88 0.547 0.435 10.588 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.785 2.179 9.577 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.913 0.144 9.918 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.973 -1.351 9.693 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.385 -0.339 8.288 1.00 0.00 H new ATOM 1349 N ILE A 89 -0.986 -2.402 8.062 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.220 -3.834 8.164 1.00 0.00 C ATOM 1351 C ILE A 89 0.060 -4.502 7.668 1.00 0.00 C ATOM 1352 O ILE A 89 0.677 -3.997 6.732 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.450 -4.231 7.327 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.713 -3.489 7.806 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -2.699 -5.743 7.430 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.002 -2.221 6.993 1.00 0.00 C ATOM 0 H ILE A 89 -1.152 -2.038 7.124 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.438 -4.148 9.185 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.245 -3.956 6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.570 -4.160 7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.596 -3.223 8.856 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.571 -6.010 6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.827 -6.281 7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.875 -6.013 8.471 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.903 -1.741 7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.160 -1.534 7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.149 -2.486 5.946 1.00 0.00 H new ATOM 1368 N ILE A 90 0.482 -5.604 8.290 1.00 0.00 N ATOM 1369 CA ILE A 90 1.726 -6.286 7.947 1.00 0.00 C ATOM 1370 C ILE A 90 1.449 -7.783 7.835 1.00 0.00 C ATOM 1371 O ILE A 90 0.656 -8.318 8.609 1.00 0.00 O ATOM 1372 CB ILE A 90 2.802 -5.959 9.006 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.945 -4.427 9.131 1.00 0.00 C ATOM 1374 CG2 ILE A 90 4.147 -6.597 8.623 1.00 0.00 C ATOM 1375 CD1 ILE A 90 4.134 -3.969 9.974 1.00 0.00 C ATOM 0 H ILE A 90 -0.034 -6.049 9.049 1.00 0.00 H new ATOM 0 HA ILE A 90 2.109 -5.944 6.986 1.00 0.00 H new ATOM 0 HB ILE A 90 2.497 -6.371 9.968 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.038 -4.001 8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.031 -4.024 9.566 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.893 -6.356 9.380 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.031 -7.679 8.559 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.472 -6.209 7.658 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.158 -2.880 10.008 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.035 -4.362 10.986 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.058 -4.338 9.530 1.00 0.00 H new ATOM 1387 N GLY A 91 2.106 -8.448 6.880 1.00 0.00 N ATOM 1388 CA GLY A 91 1.951 -9.874 6.635 1.00 0.00 C ATOM 1389 C GLY A 91 0.854 -10.139 5.603 1.00 0.00 C ATOM 1390 O GLY A 91 -0.035 -9.312 5.395 1.00 0.00 O ATOM 0 H GLY A 91 2.769 -7.998 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.895 -10.290 6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.707 -10.382 7.568 1.00 0.00 H new ATOM 1394 N ALA A 92 0.927 -11.290 4.925 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.030 -11.653 3.889 1.00 0.00 C ATOM 1396 C ALA A 92 -1.385 -12.048 4.484 1.00 0.00 C ATOM 1397 O ALA A 92 -1.752 -13.222 4.466 1.00 0.00 O ATOM 1398 CB ALA A 92 0.564 -12.790 3.050 1.00 0.00 C ATOM 0 H ALA A 92 1.651 -11.990 5.083 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.214 -10.788 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.142 -13.073 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.496 -12.457 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.761 -13.650 3.690 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.142 -11.076 5.000 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.467 -11.347 5.550 1.00 0.00 C ATOM 1406 C VAL A 93 -4.466 -11.474 4.382 1.00 0.00 C ATOM 1407 O VAL A 93 -4.227 -10.901 3.318 1.00 0.00 O ATOM 1408 CB VAL A 93 -3.889 -10.250 6.545 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -2.846 -10.067 7.655 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -4.175 -8.907 5.867 1.00 0.00 C ATOM 0 H VAL A 93 -1.858 -10.097 5.047 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.451 -12.282 6.110 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.822 -10.595 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.176 -9.285 8.339 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.729 -11.002 8.202 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.891 -9.783 7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.467 -8.175 6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.278 -8.561 5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.983 -9.028 5.146 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.578 -12.215 4.537 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.545 -12.403 3.464 1.00 0.00 C ATOM 1422 C PRO A 94 -7.186 -11.107 2.954 1.00 0.00 C ATOM 1423 O PRO A 94 -7.336 -10.133 3.694 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.632 -13.318 4.036 1.00 0.00 C ATOM 1425 CG PRO A 94 -6.917 -14.078 5.149 1.00 0.00 C ATOM 1426 CD PRO A 94 -5.921 -13.049 5.680 1.00 0.00 C ATOM 0 HA PRO A 94 -6.029 -12.822 2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.476 -12.745 4.421 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.025 -13.995 3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.610 -14.406 5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.415 -14.969 4.772 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.360 -12.455 6.482 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.036 -13.535 6.091 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.631 -11.153 1.692 1.00 0.00 N ATOM 1435 CA LYS A 95 -8.349 -10.097 0.990 1.00 0.00 C ATOM 1436 C LYS A 95 -9.435 -9.535 1.894 1.00 0.00 C ATOM 1437 O LYS A 95 -9.508 -8.331 2.110 1.00 0.00 O ATOM 1438 CB LYS A 95 -8.995 -10.688 -0.276 1.00 0.00 C ATOM 1439 CG LYS A 95 -9.754 -9.644 -1.113 1.00 0.00 C ATOM 1440 CD LYS A 95 -10.468 -10.307 -2.299 1.00 0.00 C ATOM 1441 CE LYS A 95 -11.273 -9.292 -3.123 1.00 0.00 C ATOM 1442 NZ LYS A 95 -12.430 -8.753 -2.387 1.00 0.00 N ATOM 0 H LYS A 95 -7.489 -11.976 1.107 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.658 -9.300 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.220 -11.145 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.683 -11.483 0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.482 -9.129 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.058 -8.889 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.732 -10.793 -2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.135 -11.087 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.620 -8.470 -3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.620 -9.768 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.309 -9.051 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.419 -9.113 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.379 -7.714 -2.373 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.275 -10.437 2.406 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.369 -10.129 3.314 1.00 0.00 C ATOM 1458 C ALA A 96 -10.905 -9.133 4.379 1.00 0.00 C ATOM 1459 O ALA A 96 -11.472 -8.051 4.505 1.00 0.00 O ATOM 1460 CB ALA A 96 -11.868 -11.432 3.947 1.00 0.00 C ATOM 0 H ALA A 96 -10.206 -11.431 2.190 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.191 -9.666 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.689 -11.214 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.217 -12.106 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.054 -11.904 4.497 1.00 0.00 H new ATOM 1466 N THR A 97 -9.841 -9.478 5.105 1.00 0.00 N ATOM 1467 CA THR A 97 -9.270 -8.649 6.146 1.00 0.00 C ATOM 1468 C THR A 97 -8.831 -7.297 5.576 1.00 0.00 C ATOM 1469 O THR A 97 -9.238 -6.257 6.097 1.00 0.00 O ATOM 1470 CB THR A 97 -8.099 -9.416 6.779 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.494 -10.763 6.965 1.00 0.00 O ATOM 1472 CG2 THR A 97 -7.699 -8.816 8.129 1.00 0.00 C ATOM 0 H THR A 97 -9.348 -10.362 4.977 1.00 0.00 H new ATOM 0 HA THR A 97 -10.012 -8.435 6.915 1.00 0.00 H new ATOM 0 HB THR A 97 -7.237 -9.350 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.824 -11.228 7.508 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.868 -9.384 8.548 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.396 -7.778 7.990 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.548 -8.858 8.812 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.012 -7.304 4.515 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.500 -6.078 3.898 1.00 0.00 C ATOM 1482 C ILE A 98 -8.670 -5.135 3.586 1.00 0.00 C ATOM 1483 O ILE A 98 -8.721 -4.001 4.070 1.00 0.00 O ATOM 1484 CB ILE A 98 -6.685 -6.400 2.619 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.465 -7.278 2.944 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.205 -5.088 1.972 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.668 -7.714 1.710 1.00 0.00 C ATOM 0 H ILE A 98 -7.688 -8.159 4.063 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.825 -5.583 4.597 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.332 -6.946 1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.804 -6.731 3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.801 -8.166 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.632 -5.314 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.067 -4.476 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.575 -4.544 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.824 -8.330 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.312 -8.290 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.300 -6.833 1.184 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.606 -5.630 2.773 1.00 0.00 N ATOM 1500 CA VAL A 99 -10.783 -4.912 2.327 1.00 0.00 C ATOM 1501 C VAL A 99 -11.561 -4.396 3.528 1.00 0.00 C ATOM 1502 O VAL A 99 -11.731 -3.191 3.653 1.00 0.00 O ATOM 1503 CB VAL A 99 -11.644 -5.824 1.435 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.017 -5.196 1.165 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -10.930 -6.044 0.097 1.00 0.00 C ATOM 0 H VAL A 99 -9.555 -6.577 2.398 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.485 -4.050 1.731 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.788 -6.772 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.604 -5.862 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.538 -5.040 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.886 -4.239 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -11.537 -6.690 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.781 -5.084 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.963 -6.515 0.274 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.027 -5.284 4.408 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.817 -4.899 5.570 1.00 0.00 C ATOM 1517 C GLN A 100 -12.151 -3.761 6.336 1.00 0.00 C ATOM 1518 O GLN A 100 -12.797 -2.761 6.650 1.00 0.00 O ATOM 1519 CB GLN A 100 -12.996 -6.110 6.490 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.016 -7.090 5.898 1.00 0.00 C ATOM 1521 CD GLN A 100 -13.969 -8.455 6.576 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -14.040 -9.486 5.918 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -13.850 -8.486 7.900 1.00 0.00 N ATOM 0 H GLN A 100 -11.865 -6.288 4.332 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.790 -4.550 5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.039 -6.613 6.629 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.329 -5.780 7.474 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.018 -6.672 5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.825 -7.210 4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.793 -7.615 8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.816 -9.381 8.388 1.00 0.00 H new ATOM 1532 N THR A 101 -10.856 -3.915 6.622 1.00 0.00 N ATOM 1533 CA THR A 101 -10.127 -2.927 7.394 1.00 0.00 C ATOM 1534 C THR A 101 -10.130 -1.590 6.652 1.00 0.00 C ATOM 1535 O THR A 101 -10.618 -0.597 7.183 1.00 0.00 O ATOM 1536 CB THR A 101 -8.706 -3.430 7.699 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.770 -4.709 8.295 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.992 -2.512 8.694 1.00 0.00 C ATOM 0 H THR A 101 -10.298 -4.716 6.327 1.00 0.00 H new ATOM 0 HA THR A 101 -10.619 -2.770 8.354 1.00 0.00 H new ATOM 0 HB THR A 101 -8.162 -3.453 6.754 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.924 -5.385 7.603 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.990 -2.895 8.888 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.922 -1.508 8.276 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.555 -2.478 9.627 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.630 -1.537 5.416 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.551 -0.242 4.751 1.00 0.00 C ATOM 1548 C VAL A 102 -10.938 0.352 4.531 1.00 0.00 C ATOM 1549 O VAL A 102 -11.139 1.528 4.807 1.00 0.00 O ATOM 1550 CB VAL A 102 -8.737 -0.349 3.461 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.483 -0.898 2.250 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.195 1.040 3.101 1.00 0.00 C ATOM 0 H VAL A 102 -9.290 -2.335 4.879 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.023 0.454 5.402 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.951 -1.072 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -8.811 -0.930 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.841 -1.904 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.331 -0.253 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.612 0.976 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.027 1.729 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.560 1.403 3.909 1.00 0.00 H new ATOM 1562 N GLU A 103 -11.877 -0.469 4.059 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.266 -0.108 3.780 1.00 0.00 C ATOM 1564 C GLU A 103 -13.894 0.591 4.981 1.00 0.00 C ATOM 1565 O GLU A 103 -14.521 1.637 4.844 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.059 -1.371 3.431 1.00 0.00 C ATOM 1567 CG GLU A 103 -15.466 -1.066 2.905 1.00 0.00 C ATOM 1568 CD GLU A 103 -16.158 -2.342 2.434 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -16.365 -3.226 3.293 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -16.449 -2.418 1.220 1.00 0.00 O ATOM 0 H GLU A 103 -11.680 -1.448 3.852 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.289 0.581 2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.512 -1.942 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.137 -2.001 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -16.058 -0.595 3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.405 -0.355 2.081 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.741 -0.025 6.152 1.00 0.00 N ATOM 1578 CA LYS A 104 -14.195 0.552 7.413 1.00 0.00 C ATOM 1579 C LYS A 104 -13.651 1.976 7.555 1.00 0.00 C ATOM 1580 O LYS A 104 -14.377 2.894 7.928 1.00 0.00 O ATOM 1581 CB LYS A 104 -13.696 -0.334 8.571 1.00 0.00 C ATOM 1582 CG LYS A 104 -13.678 0.325 9.964 1.00 0.00 C ATOM 1583 CD LYS A 104 -12.678 -0.380 10.890 1.00 0.00 C ATOM 1584 CE LYS A 104 -12.981 -1.868 11.104 1.00 0.00 C ATOM 1585 NZ LYS A 104 -14.329 -2.080 11.659 1.00 0.00 N ATOM 0 H LYS A 104 -13.298 -0.939 6.252 1.00 0.00 H new ATOM 0 HA LYS A 104 -15.284 0.596 7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -14.325 -1.223 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.686 -0.670 8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.412 1.378 9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.675 0.286 10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.676 -0.278 10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.674 0.124 11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.892 -2.397 10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.239 -2.296 11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.464 -3.090 11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.435 -1.528 12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -15.042 -1.772 10.967 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.347 2.127 7.323 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.627 3.365 7.545 1.00 0.00 C ATOM 1601 C TYR A 105 -11.818 4.433 6.458 1.00 0.00 C ATOM 1602 O TYR A 105 -12.498 5.421 6.707 1.00 0.00 O ATOM 1603 CB TYR A 105 -10.140 3.023 7.683 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.682 2.690 9.086 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.452 3.744 9.984 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -9.302 1.382 9.436 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.857 3.493 11.232 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -8.754 1.121 10.702 1.00 0.00 C ATOM 1609 CZ TYR A 105 -8.524 2.178 11.598 1.00 0.00 C ATOM 1610 OH TYR A 105 -7.931 1.925 12.798 1.00 0.00 O ATOM 0 H TYR A 105 -11.757 1.374 6.969 1.00 0.00 H new ATOM 0 HA TYR A 105 -12.037 3.813 8.450 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.917 2.176 7.035 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.554 3.867 7.318 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.733 4.751 9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.432 0.576 8.729 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.656 4.310 11.909 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.509 0.108 10.987 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.772 0.962 12.888 1.00 0.00 H new ATOM 1620 N LEU A 106 -11.147 4.234 5.313 1.00 0.00 N ATOM 1621 CA LEU A 106 -10.887 5.069 4.132 1.00 0.00 C ATOM 1622 C LEU A 106 -11.214 6.568 4.209 1.00 0.00 C ATOM 1623 O LEU A 106 -10.339 7.376 3.908 1.00 0.00 O ATOM 1624 CB LEU A 106 -11.473 4.438 2.853 1.00 0.00 C ATOM 1625 CG LEU A 106 -12.813 3.690 2.924 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -13.981 4.523 3.451 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -13.141 3.167 1.520 1.00 0.00 C ATOM 0 H LEU A 106 -10.700 3.327 5.176 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.798 5.071 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -11.582 5.234 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.731 3.742 2.463 1.00 0.00 H new ATOM 0 HG LEU A 106 -12.689 2.882 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -14.885 3.914 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.757 4.865 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -14.135 5.385 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -14.090 2.631 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.215 4.005 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.351 2.492 1.189 1.00 0.00 H new ATOM 1639 N ASN A 107 -12.430 6.928 4.603 1.00 0.00 N ATOM 1640 CA ASN A 107 -12.993 8.275 4.627 1.00 0.00 C ATOM 1641 C ASN A 107 -12.878 8.932 3.244 1.00 0.00 C ATOM 1642 O ASN A 107 -12.765 10.179 3.200 1.00 0.00 O ATOM 1643 CB ASN A 107 -12.415 9.118 5.786 1.00 0.00 C ATOM 1644 CG ASN A 107 -10.953 9.563 5.673 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -10.122 9.196 6.502 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -10.630 10.416 4.709 1.00 0.00 N ATOM 1647 OXT ASN A 107 -12.933 8.180 2.246 1.00 0.00 O ATOM 0 H ASN A 107 -13.099 6.235 4.939 1.00 0.00 H new ATOM 0 HA ASN A 107 -14.060 8.210 4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -13.031 10.010 5.893 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -12.522 8.544 6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.679 10.779 4.647 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.333 10.709 4.030 1.00 0.00 H new TER 1654 ASN A 107