USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 575 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 6 LYS NZ :NH3+ -142:sc= -0.378 (180deg=-1.81!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.376 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0617) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 25 MET CE :methyl -119:sc= -4.08 (180deg=-12.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00796) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.146 F(o=-1.1,f=0.15) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.0477 (180deg=-0.295) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : A 51 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.47) USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= -0.0165 (180deg=-0.209) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.4 F(o=-2.4,f=-1.4) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -110:sc= 0.639 (180deg=0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.558 -6.281 2.468 1.00 0.00 N ATOM 2 CA MET A 1 0.168 -5.141 1.919 1.00 0.00 C ATOM 3 C MET A 1 1.309 -5.606 1.020 1.00 0.00 C ATOM 4 O MET A 1 2.121 -6.444 1.414 1.00 0.00 O ATOM 5 CB MET A 1 0.717 -4.267 3.048 1.00 0.00 C ATOM 6 CG MET A 1 -0.276 -3.232 3.553 1.00 0.00 C ATOM 7 SD MET A 1 0.481 -2.021 4.653 1.00 0.00 S ATOM 8 CE MET A 1 -0.037 -2.644 6.250 1.00 0.00 C ATOM 0 H1 MET A 1 -1.330 -5.941 3.076 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.954 -6.847 1.691 1.00 0.00 H new ATOM 0 H3 MET A 1 0.091 -6.869 3.029 1.00 0.00 H new ATOM 0 HA MET A 1 -0.527 -4.553 1.320 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.017 -4.906 3.878 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.615 -3.757 2.698 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.721 -2.716 2.702 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.086 -3.738 4.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.354 -1.999 7.037 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.126 -2.657 6.300 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.345 -3.656 6.387 1.00 0.00 H new ATOM 18 N ASP A 2 1.365 -5.057 -0.188 1.00 0.00 N ATOM 19 CA ASP A 2 2.408 -5.414 -1.143 1.00 0.00 C ATOM 20 C ASP A 2 2.417 -4.449 -2.325 1.00 0.00 C ATOM 21 O ASP A 2 1.385 -3.880 -2.681 1.00 0.00 O ATOM 22 CB ASP A 2 2.204 -6.846 -1.640 1.00 0.00 C ATOM 23 CG ASP A 2 3.491 -7.474 -2.140 1.00 0.00 C ATOM 24 OD1 ASP A 2 4.247 -8.019 -1.308 1.00 0.00 O ATOM 25 OD2 ASP A 2 3.742 -7.419 -3.362 1.00 0.00 O ATOM 0 H ASP A 2 0.700 -4.363 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 2 3.370 -5.347 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.797 -7.453 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.467 -6.847 -2.443 1.00 0.00 H new ATOM 30 N GLU A 3 3.588 -4.270 -2.927 1.00 0.00 N ATOM 31 CA GLU A 3 3.730 -3.372 -4.067 1.00 0.00 C ATOM 32 C GLU A 3 3.474 -4.112 -5.378 1.00 0.00 C ATOM 33 O GLU A 3 4.290 -4.070 -6.299 1.00 0.00 O ATOM 34 CB GLU A 3 5.129 -2.752 -4.085 1.00 0.00 C ATOM 35 CG GLU A 3 5.366 -1.754 -2.964 1.00 0.00 C ATOM 36 CD GLU A 3 6.799 -1.259 -2.917 1.00 0.00 C ATOM 37 OE1 GLU A 3 7.317 -0.841 -3.973 1.00 0.00 O ATOM 38 OE2 GLU A 3 7.401 -1.290 -1.823 1.00 0.00 O ATOM 0 H GLU A 3 4.451 -4.734 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 3 2.989 -2.579 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.871 -3.548 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.285 -2.254 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.696 -0.904 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.114 -2.218 -2.010 1.00 0.00 H new ATOM 45 N THR A 4 2.333 -4.790 -5.454 1.00 0.00 N ATOM 46 CA THR A 4 1.968 -5.540 -6.649 1.00 0.00 C ATOM 47 C THR A 4 0.489 -5.366 -6.977 1.00 0.00 C ATOM 48 O THR A 4 -0.286 -4.879 -6.156 1.00 0.00 O ATOM 49 CB THR A 4 2.272 -7.041 -6.484 1.00 0.00 C ATOM 50 OG1 THR A 4 2.104 -7.715 -7.736 1.00 0.00 O ATOM 51 CG2 THR A 4 1.361 -7.667 -5.439 1.00 0.00 C ATOM 0 H THR A 4 1.646 -4.835 -4.702 1.00 0.00 H new ATOM 0 HA THR A 4 2.568 -5.143 -7.468 1.00 0.00 H new ATOM 0 HB THR A 4 3.305 -7.145 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.301 -8.668 -7.623 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.595 -8.727 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.513 -7.171 -4.480 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.322 -7.552 -5.746 1.00 0.00 H new ATOM 59 N GLY A 5 0.105 -5.769 -8.185 1.00 0.00 N ATOM 60 CA GLY A 5 -1.281 -5.649 -8.600 1.00 0.00 C ATOM 61 C GLY A 5 -2.083 -6.901 -8.308 1.00 0.00 C ATOM 62 O GLY A 5 -2.715 -7.466 -9.202 1.00 0.00 O ATOM 0 H GLY A 5 0.728 -6.176 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.738 -4.801 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.320 -5.437 -9.668 1.00 0.00 H new ATOM 66 N LYS A 6 -2.059 -7.339 -7.054 1.00 0.00 N ATOM 67 CA LYS A 6 -2.789 -8.533 -6.645 1.00 0.00 C ATOM 68 C LYS A 6 -4.061 -8.160 -5.891 1.00 0.00 C ATOM 69 O LYS A 6 -4.047 -8.008 -4.670 1.00 0.00 O ATOM 70 CB LYS A 6 -1.905 -9.421 -5.768 1.00 0.00 C ATOM 71 CG LYS A 6 -2.448 -10.828 -5.584 1.00 0.00 C ATOM 72 CD LYS A 6 -2.207 -11.684 -6.816 1.00 0.00 C ATOM 73 CE LYS A 6 -0.810 -12.284 -6.814 1.00 0.00 C ATOM 74 NZ LYS A 6 0.183 -11.380 -7.457 1.00 0.00 N ATOM 0 H LYS A 6 -1.541 -6.884 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.068 -9.084 -7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.911 -9.479 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.792 -8.954 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.974 -11.292 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.517 -10.782 -5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.947 -12.483 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.343 -11.079 -7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.504 -12.488 -5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.824 -13.239 -7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.862 -11.945 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.309 -10.718 -8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.691 -10.845 -6.724 1.00 0.00 H new ATOM 88 N GLU A 7 -5.160 -8.016 -6.626 1.00 0.00 N ATOM 89 CA GLU A 7 -6.440 -7.663 -6.024 1.00 0.00 C ATOM 90 C GLU A 7 -7.474 -8.760 -6.260 1.00 0.00 C ATOM 91 O GLU A 7 -7.261 -9.667 -7.066 1.00 0.00 O ATOM 92 CB GLU A 7 -6.948 -6.337 -6.595 1.00 0.00 C ATOM 93 CG GLU A 7 -5.939 -5.206 -6.498 1.00 0.00 C ATOM 94 CD GLU A 7 -6.299 -4.025 -7.379 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.935 -4.042 -8.573 1.00 0.00 O ATOM 96 OE2 GLU A 7 -6.946 -3.084 -6.873 1.00 0.00 O ATOM 0 H GLU A 7 -5.189 -8.138 -7.638 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.290 -7.555 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.219 -6.482 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.857 -6.048 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.870 -4.874 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.954 -5.578 -6.780 1.00 0.00 H new ATOM 103 N LEU A 8 -8.593 -8.672 -5.550 1.00 0.00 N ATOM 104 CA LEU A 8 -9.661 -9.657 -5.681 1.00 0.00 C ATOM 105 C LEU A 8 -10.854 -9.072 -6.430 1.00 0.00 C ATOM 106 O LEU A 8 -11.215 -7.911 -6.234 1.00 0.00 O ATOM 107 CB LEU A 8 -10.102 -10.146 -4.300 1.00 0.00 C ATOM 108 CG LEU A 8 -9.003 -10.735 -3.414 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.407 -10.670 -1.949 1.00 0.00 C ATOM 110 CD2 LEU A 8 -8.700 -12.169 -3.823 1.00 0.00 C ATOM 0 H LEU A 8 -8.785 -7.929 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.275 -10.501 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.560 -9.311 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.876 -10.901 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.098 -10.142 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.613 -11.093 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.573 -9.631 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.325 -11.239 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.916 -12.572 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.600 -12.775 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.366 -12.189 -4.861 1.00 0.00 H new ATOM 122 N VAL A 9 -11.464 -9.883 -7.288 1.00 0.00 N ATOM 123 CA VAL A 9 -12.618 -9.447 -8.064 1.00 0.00 C ATOM 124 C VAL A 9 -13.862 -10.248 -7.696 1.00 0.00 C ATOM 125 O VAL A 9 -13.781 -11.440 -7.397 1.00 0.00 O ATOM 126 CB VAL A 9 -12.362 -9.585 -9.577 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.114 -8.814 -9.979 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.241 -11.050 -9.965 1.00 0.00 C ATOM 0 H VAL A 9 -11.178 -10.846 -7.463 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.781 -8.396 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.211 -9.160 -10.112 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.949 -8.923 -11.051 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.244 -7.759 -9.737 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.253 -9.207 -9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.060 -11.129 -11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.411 -11.503 -9.423 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.165 -11.570 -9.714 1.00 0.00 H new ATOM 138 N LEU A 10 -15.014 -9.585 -7.720 1.00 0.00 N ATOM 139 CA LEU A 10 -16.277 -10.235 -7.390 1.00 0.00 C ATOM 140 C LEU A 10 -17.034 -10.630 -8.654 1.00 0.00 C ATOM 141 O LEU A 10 -17.032 -9.900 -9.644 1.00 0.00 O ATOM 142 CB LEU A 10 -17.141 -9.308 -6.533 1.00 0.00 C ATOM 143 CG LEU A 10 -18.559 -9.797 -6.236 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.541 -10.851 -5.139 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.454 -8.630 -5.842 1.00 0.00 C ATOM 0 H LEU A 10 -15.099 -8.598 -7.964 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.054 -11.140 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.630 -9.141 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.209 -8.342 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.964 -10.250 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.559 -11.187 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.934 -11.698 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.117 -10.423 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.459 -8.996 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.052 -8.148 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.492 -7.909 -6.659 1.00 0.00 H new ATOM 157 N ALA A 11 -17.681 -11.790 -8.611 1.00 0.00 N ATOM 158 CA ALA A 11 -18.445 -12.281 -9.752 1.00 0.00 C ATOM 159 C ALA A 11 -19.796 -11.580 -9.849 1.00 0.00 C ATOM 160 O ALA A 11 -20.667 -11.767 -8.998 1.00 0.00 O ATOM 161 CB ALA A 11 -18.636 -13.787 -9.651 1.00 0.00 C ATOM 0 H ALA A 11 -17.692 -12.407 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.882 -12.058 -10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.208 -14.140 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.663 -14.277 -9.638 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.175 -14.025 -8.734 1.00 0.00 H new ATOM 167 N LEU A 12 -19.965 -10.772 -10.890 1.00 0.00 N ATOM 168 CA LEU A 12 -21.210 -10.042 -11.098 1.00 0.00 C ATOM 169 C LEU A 12 -22.381 -11.003 -11.281 1.00 0.00 C ATOM 170 O LEU A 12 -23.311 -11.025 -10.475 1.00 0.00 O ATOM 171 CB LEU A 12 -21.091 -9.128 -12.319 1.00 0.00 C ATOM 172 CG LEU A 12 -20.085 -7.983 -12.204 1.00 0.00 C ATOM 173 CD1 LEU A 12 -19.971 -7.238 -13.525 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.485 -7.032 -11.086 1.00 0.00 C ATOM 0 H LEU A 12 -19.255 -10.606 -11.603 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.397 -9.434 -10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.819 -9.739 -13.180 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.073 -8.703 -12.527 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.109 -8.405 -11.963 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.250 -6.426 -13.424 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.637 -7.925 -14.303 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.944 -6.828 -13.797 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.757 -6.223 -11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.471 -6.617 -11.297 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.514 -7.574 -10.141 1.00 0.00 H new ATOM 186 N TYR A 13 -22.327 -11.798 -12.344 1.00 0.00 N ATOM 187 CA TYR A 13 -23.382 -12.761 -12.633 1.00 0.00 C ATOM 188 C TYR A 13 -22.841 -14.187 -12.603 1.00 0.00 C ATOM 189 O TYR A 13 -21.661 -14.410 -12.330 1.00 0.00 O ATOM 190 CB TYR A 13 -24.008 -12.470 -13.998 1.00 0.00 C ATOM 191 CG TYR A 13 -24.331 -11.009 -14.217 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.264 -10.357 -13.420 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.703 -10.282 -15.220 1.00 0.00 C ATOM 194 CE1 TYR A 13 -25.562 -9.022 -13.617 1.00 0.00 C ATOM 195 CE2 TYR A 13 -23.994 -8.947 -15.423 1.00 0.00 C ATOM 196 CZ TYR A 13 -24.924 -8.321 -14.619 1.00 0.00 C ATOM 197 OH TYR A 13 -25.218 -6.992 -14.819 1.00 0.00 O ATOM 0 H TYR A 13 -21.563 -11.794 -13.020 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.147 -12.665 -11.862 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.326 -12.804 -14.780 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -24.922 -13.055 -14.101 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -25.765 -10.902 -12.634 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -22.975 -10.769 -15.852 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -26.291 -8.530 -12.990 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.496 -8.396 -16.207 1.00 0.00 H new ATOM 0 HH TYR A 13 -24.681 -6.647 -15.563 1.00 0.00 H new ATOM 207 N ASP A 14 -23.712 -15.150 -12.887 1.00 0.00 N ATOM 208 CA ASP A 14 -23.323 -16.555 -12.895 1.00 0.00 C ATOM 209 C ASP A 14 -22.815 -16.970 -14.272 1.00 0.00 C ATOM 210 O ASP A 14 -23.306 -16.495 -15.295 1.00 0.00 O ATOM 211 CB ASP A 14 -24.504 -17.436 -12.486 1.00 0.00 C ATOM 212 CG ASP A 14 -25.706 -17.248 -13.391 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.657 -17.717 -14.548 1.00 0.00 O ATOM 214 OD2 ASP A 14 -26.696 -16.633 -12.943 1.00 0.00 O ATOM 0 H ASP A 14 -24.692 -14.983 -13.115 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.516 -16.687 -12.175 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -24.198 -18.482 -12.506 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.787 -17.206 -11.459 1.00 0.00 H new ATOM 219 N TYR A 15 -21.828 -17.859 -14.289 1.00 0.00 N ATOM 220 CA TYR A 15 -21.250 -18.336 -15.540 1.00 0.00 C ATOM 221 C TYR A 15 -20.915 -19.822 -15.454 1.00 0.00 C ATOM 222 O TYR A 15 -21.053 -20.440 -14.399 1.00 0.00 O ATOM 223 CB TYR A 15 -19.992 -17.537 -15.883 1.00 0.00 C ATOM 224 CG TYR A 15 -19.761 -17.378 -17.369 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.686 -16.718 -18.169 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.618 -17.886 -17.972 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.480 -16.572 -19.527 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.402 -17.743 -19.329 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.336 -17.086 -20.102 1.00 0.00 C ATOM 230 OH TYR A 15 -19.126 -16.940 -21.454 1.00 0.00 O ATOM 0 H TYR A 15 -21.411 -18.264 -13.451 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.989 -18.194 -16.329 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.064 -16.549 -15.427 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -19.127 -18.030 -15.440 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.581 -16.312 -17.721 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.885 -18.402 -17.370 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.210 -16.059 -20.135 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.507 -18.143 -19.782 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.274 -17.357 -21.700 1.00 0.00 H new ATOM 240 N GLN A 16 -20.473 -20.388 -16.573 1.00 0.00 N ATOM 241 CA GLN A 16 -20.118 -21.801 -16.624 1.00 0.00 C ATOM 242 C GLN A 16 -18.848 -22.013 -17.442 1.00 0.00 C ATOM 243 O GLN A 16 -18.431 -21.135 -18.196 1.00 0.00 O ATOM 244 CB GLN A 16 -21.266 -22.615 -17.222 1.00 0.00 C ATOM 245 CG GLN A 16 -21.230 -24.087 -16.843 1.00 0.00 C ATOM 246 CD GLN A 16 -22.574 -24.767 -17.014 1.00 0.00 C ATOM 247 OE1 GLN A 16 -23.256 -25.074 -16.036 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.963 -25.006 -18.261 1.00 0.00 N ATOM 0 H GLN A 16 -20.352 -19.890 -17.455 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.933 -22.141 -15.605 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -22.213 -22.187 -16.894 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -21.236 -22.527 -18.308 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.488 -24.598 -17.456 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.908 -24.183 -15.806 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.366 -24.735 -19.042 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.859 -25.461 -18.437 1.00 0.00 H new ATOM 257 N GLU A 17 -18.239 -23.185 -17.287 1.00 0.00 N ATOM 258 CA GLU A 17 -17.016 -23.511 -18.011 1.00 0.00 C ATOM 259 C GLU A 17 -17.299 -23.705 -19.498 1.00 0.00 C ATOM 260 O GLU A 17 -17.432 -24.833 -19.974 1.00 0.00 O ATOM 261 CB GLU A 17 -16.376 -24.775 -17.433 1.00 0.00 C ATOM 262 CG GLU A 17 -15.294 -24.493 -16.404 1.00 0.00 C ATOM 263 CD GLU A 17 -14.130 -25.461 -16.503 1.00 0.00 C ATOM 264 OE1 GLU A 17 -13.746 -25.815 -17.637 1.00 0.00 O ATOM 265 OE2 GLU A 17 -13.603 -25.863 -15.444 1.00 0.00 O ATOM 0 H GLU A 17 -18.572 -23.923 -16.667 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.323 -22.677 -17.897 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.152 -25.387 -16.974 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.948 -25.360 -18.247 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.928 -23.475 -16.537 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.725 -24.549 -15.404 1.00 0.00 H new ATOM 272 N LYS A 18 -17.390 -22.598 -20.226 1.00 0.00 N ATOM 273 CA LYS A 18 -17.657 -22.644 -21.659 1.00 0.00 C ATOM 274 C LYS A 18 -16.419 -23.093 -22.429 1.00 0.00 C ATOM 275 O LYS A 18 -16.512 -23.516 -23.581 1.00 0.00 O ATOM 276 CB LYS A 18 -18.111 -21.271 -22.159 1.00 0.00 C ATOM 277 CG LYS A 18 -19.606 -21.039 -22.025 1.00 0.00 C ATOM 278 CD LYS A 18 -20.066 -19.862 -22.869 1.00 0.00 C ATOM 279 CE LYS A 18 -21.549 -19.586 -22.680 1.00 0.00 C ATOM 280 NZ LYS A 18 -22.392 -20.693 -23.211 1.00 0.00 N ATOM 0 H LYS A 18 -17.283 -21.657 -19.847 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.453 -23.368 -21.831 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.581 -20.498 -21.603 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.827 -21.163 -23.206 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -20.143 -21.938 -22.329 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.855 -20.857 -20.979 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.493 -18.975 -22.601 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.864 -20.066 -23.921 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.760 -19.446 -21.620 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.812 -18.656 -23.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -23.394 -20.416 -23.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -22.126 -20.890 -24.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.246 -21.547 -22.636 1.00 0.00 H new ATOM 294 N SER A 19 -15.260 -22.999 -21.784 1.00 0.00 N ATOM 295 CA SER A 19 -14.003 -23.393 -22.409 1.00 0.00 C ATOM 296 C SER A 19 -13.155 -24.221 -21.448 1.00 0.00 C ATOM 297 O SER A 19 -13.353 -24.206 -20.233 1.00 0.00 O ATOM 298 CB SER A 19 -13.223 -22.157 -22.859 1.00 0.00 C ATOM 299 OG SER A 19 -13.543 -21.811 -24.196 1.00 0.00 O ATOM 0 H SER A 19 -15.166 -22.653 -20.829 1.00 0.00 H new ATOM 0 HA SER A 19 -14.235 -24.004 -23.281 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.450 -21.320 -22.199 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.153 -22.348 -22.775 1.00 0.00 H new ATOM 0 HG SER A 19 -13.033 -21.017 -24.459 1.00 0.00 H new ATOM 305 N PRO A 20 -12.186 -24.964 -22.005 1.00 0.00 N ATOM 306 CA PRO A 20 -11.288 -25.812 -21.217 1.00 0.00 C ATOM 307 C PRO A 20 -10.314 -24.998 -20.372 1.00 0.00 C ATOM 308 O PRO A 20 -9.750 -25.501 -19.400 1.00 0.00 O ATOM 309 CB PRO A 20 -10.533 -26.613 -22.281 1.00 0.00 C ATOM 310 CG PRO A 20 -10.580 -25.760 -23.501 1.00 0.00 C ATOM 311 CD PRO A 20 -11.893 -25.031 -23.446 1.00 0.00 C ATOM 0 HA PRO A 20 -11.833 -26.431 -20.504 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.506 -26.809 -21.974 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.003 -27.581 -22.456 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.745 -25.059 -23.520 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.508 -26.366 -24.404 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.820 -24.037 -23.888 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.672 -25.565 -23.990 1.00 0.00 H new ATOM 319 N ARG A 21 -10.121 -23.738 -20.749 1.00 0.00 N ATOM 320 CA ARG A 21 -9.214 -22.855 -20.026 1.00 0.00 C ATOM 321 C ARG A 21 -9.982 -21.966 -19.052 1.00 0.00 C ATOM 322 O ARG A 21 -9.395 -21.358 -18.158 1.00 0.00 O ATOM 323 CB ARG A 21 -8.421 -21.989 -21.007 1.00 0.00 C ATOM 324 CG ARG A 21 -7.463 -22.780 -21.882 1.00 0.00 C ATOM 325 CD ARG A 21 -7.092 -22.011 -23.140 1.00 0.00 C ATOM 326 NE ARG A 21 -6.624 -20.661 -22.838 1.00 0.00 N ATOM 327 CZ ARG A 21 -5.398 -20.387 -22.406 1.00 0.00 C ATOM 328 NH1 ARG A 21 -4.521 -21.365 -22.226 1.00 0.00 N ATOM 329 NH2 ARG A 21 -5.047 -19.133 -22.153 1.00 0.00 N ATOM 0 H ARG A 21 -10.581 -23.306 -21.551 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.521 -23.474 -19.457 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.119 -21.446 -21.645 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.856 -21.244 -20.446 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.560 -23.012 -21.317 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.920 -23.730 -22.157 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.315 -22.552 -23.680 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.958 -21.955 -23.800 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.274 -19.886 -22.966 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.787 -22.331 -22.419 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.580 -21.152 -21.894 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.719 -18.378 -22.290 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.105 -18.924 -21.821 1.00 0.00 H new ATOM 343 N GLU A 22 -11.297 -21.896 -19.234 1.00 0.00 N ATOM 344 CA GLU A 22 -12.144 -21.081 -18.372 1.00 0.00 C ATOM 345 C GLU A 22 -12.697 -21.907 -17.214 1.00 0.00 C ATOM 346 O GLU A 22 -12.774 -23.133 -17.292 1.00 0.00 O ATOM 347 CB GLU A 22 -13.297 -20.476 -19.177 1.00 0.00 C ATOM 348 CG GLU A 22 -13.034 -19.053 -19.639 1.00 0.00 C ATOM 349 CD GLU A 22 -13.553 -18.789 -21.039 1.00 0.00 C ATOM 350 OE1 GLU A 22 -14.723 -19.129 -21.313 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.788 -18.243 -21.862 1.00 0.00 O ATOM 0 H GLU A 22 -11.798 -22.393 -19.970 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.534 -20.276 -17.963 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.489 -21.102 -20.048 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.201 -20.490 -18.568 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.504 -18.357 -18.944 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.962 -18.858 -19.610 1.00 0.00 H new ATOM 358 N VAL A 23 -13.081 -21.226 -16.139 1.00 0.00 N ATOM 359 CA VAL A 23 -13.627 -21.895 -14.964 1.00 0.00 C ATOM 360 C VAL A 23 -15.062 -21.454 -14.698 1.00 0.00 C ATOM 361 O VAL A 23 -15.482 -20.377 -15.122 1.00 0.00 O ATOM 362 CB VAL A 23 -12.775 -21.615 -13.712 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.573 -22.546 -13.665 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.333 -20.160 -13.683 1.00 0.00 C ATOM 0 H VAL A 23 -13.024 -20.211 -16.058 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.611 -22.965 -15.173 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.386 -21.803 -12.829 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.983 -22.333 -12.774 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.915 -23.581 -13.636 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.959 -22.392 -14.552 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.732 -19.980 -12.792 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.739 -19.942 -14.571 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.210 -19.513 -13.666 1.00 0.00 H new ATOM 374 N THR A 24 -15.812 -22.294 -13.991 1.00 0.00 N ATOM 375 CA THR A 24 -17.200 -21.993 -13.668 1.00 0.00 C ATOM 376 C THR A 24 -17.301 -21.171 -12.388 1.00 0.00 C ATOM 377 O THR A 24 -16.730 -21.533 -11.361 1.00 0.00 O ATOM 378 CB THR A 24 -18.032 -23.279 -13.506 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.964 -24.061 -14.704 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.483 -22.949 -13.191 1.00 0.00 C ATOM 0 H THR A 24 -15.480 -23.189 -13.631 1.00 0.00 H new ATOM 0 HA THR A 24 -17.599 -21.414 -14.501 1.00 0.00 H new ATOM 0 HB THR A 24 -17.618 -23.851 -12.676 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.494 -24.878 -14.592 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.051 -23.873 -13.081 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.533 -22.380 -12.263 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.906 -22.358 -14.003 1.00 0.00 H new ATOM 388 N MET A 25 -18.032 -20.063 -12.458 1.00 0.00 N ATOM 389 CA MET A 25 -18.209 -19.191 -11.302 1.00 0.00 C ATOM 390 C MET A 25 -19.665 -18.757 -11.167 1.00 0.00 C ATOM 391 O MET A 25 -20.440 -18.841 -12.120 1.00 0.00 O ATOM 392 CB MET A 25 -17.307 -17.961 -11.422 1.00 0.00 C ATOM 393 CG MET A 25 -16.826 -17.427 -10.082 1.00 0.00 C ATOM 394 SD MET A 25 -15.695 -18.558 -9.250 1.00 0.00 S ATOM 395 CE MET A 25 -16.809 -19.373 -8.109 1.00 0.00 C ATOM 0 H MET A 25 -18.511 -19.748 -13.302 1.00 0.00 H new ATOM 0 HA MET A 25 -17.931 -19.751 -10.409 1.00 0.00 H new ATOM 0 HB2 MET A 25 -16.442 -18.213 -12.035 1.00 0.00 H new ATOM 0 HB3 MET A 25 -17.849 -17.173 -11.945 1.00 0.00 H new ATOM 0 HG2 MET A 25 -16.329 -16.469 -10.234 1.00 0.00 H new ATOM 0 HG3 MET A 25 -17.686 -17.241 -9.439 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.484 -19.185 -7.086 1.00 0.00 H new ATOM 0 HE2 MET A 25 -17.818 -18.985 -8.246 1.00 0.00 H new ATOM 0 HE3 MET A 25 -16.804 -20.446 -8.299 1.00 0.00 H new ATOM 405 N LYS A 26 -20.031 -18.294 -9.976 1.00 0.00 N ATOM 406 CA LYS A 26 -21.394 -17.846 -9.715 1.00 0.00 C ATOM 407 C LYS A 26 -21.400 -16.444 -9.114 1.00 0.00 C ATOM 408 O LYS A 26 -20.456 -16.046 -8.431 1.00 0.00 O ATOM 409 CB LYS A 26 -22.101 -18.820 -8.770 1.00 0.00 C ATOM 410 CG LYS A 26 -22.646 -20.056 -9.466 1.00 0.00 C ATOM 411 CD LYS A 26 -21.603 -21.158 -9.542 1.00 0.00 C ATOM 412 CE LYS A 26 -21.409 -21.836 -8.194 1.00 0.00 C ATOM 413 NZ LYS A 26 -22.455 -22.864 -7.934 1.00 0.00 N ATOM 0 H LYS A 26 -19.402 -18.219 -9.176 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.929 -17.818 -10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -21.403 -19.129 -7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -22.921 -18.301 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.523 -20.420 -8.930 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -22.974 -19.794 -10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -21.907 -21.898 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -20.655 -20.740 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -20.425 -22.303 -8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -21.433 -21.086 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -22.288 -23.303 -7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -23.393 -22.414 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -22.416 -23.594 -8.674 1.00 0.00 H new ATOM 427 N LYS A 27 -22.469 -15.699 -9.372 1.00 0.00 N ATOM 428 CA LYS A 27 -22.600 -14.342 -8.855 1.00 0.00 C ATOM 429 C LYS A 27 -22.362 -14.309 -7.349 1.00 0.00 C ATOM 430 O LYS A 27 -22.995 -15.045 -6.594 1.00 0.00 O ATOM 431 CB LYS A 27 -23.989 -13.784 -9.175 1.00 0.00 C ATOM 432 CG LYS A 27 -25.120 -14.551 -8.512 1.00 0.00 C ATOM 433 CD LYS A 27 -26.475 -14.125 -9.053 1.00 0.00 C ATOM 434 CE LYS A 27 -27.586 -15.035 -8.551 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.770 -14.926 -7.078 1.00 0.00 N ATOM 0 H LYS A 27 -23.258 -16.012 -9.937 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.846 -13.721 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.034 -12.742 -8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.137 -13.797 -10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.981 -15.620 -8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.089 -14.387 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.681 -13.098 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.454 -14.141 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -28.519 -14.780 -9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.355 -16.068 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.558 -15.536 -6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.899 -15.226 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -27.982 -13.939 -6.827 1.00 0.00 H new ATOM 449 N GLY A 28 -21.445 -13.447 -6.919 1.00 0.00 N ATOM 450 CA GLY A 28 -21.141 -13.333 -5.504 1.00 0.00 C ATOM 451 C GLY A 28 -19.823 -13.988 -5.140 1.00 0.00 C ATOM 452 O GLY A 28 -19.291 -13.765 -4.052 1.00 0.00 O ATOM 0 H GLY A 28 -20.908 -12.826 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.109 -12.280 -5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -21.943 -13.791 -4.925 1.00 0.00 H new ATOM 456 N ASP A 29 -19.296 -14.799 -6.051 1.00 0.00 N ATOM 457 CA ASP A 29 -18.032 -15.489 -5.820 1.00 0.00 C ATOM 458 C ASP A 29 -16.850 -14.564 -6.094 1.00 0.00 C ATOM 459 O ASP A 29 -16.730 -14.000 -7.182 1.00 0.00 O ATOM 460 CB ASP A 29 -17.938 -16.734 -6.703 1.00 0.00 C ATOM 461 CG ASP A 29 -18.737 -17.897 -6.151 1.00 0.00 C ATOM 462 OD1 ASP A 29 -19.965 -17.932 -6.374 1.00 0.00 O ATOM 463 OD2 ASP A 29 -18.135 -18.773 -5.494 1.00 0.00 O ATOM 0 H ASP A 29 -19.724 -14.995 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.997 -15.792 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.296 -16.494 -7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.893 -17.029 -6.800 1.00 0.00 H new ATOM 468 N ILE A 30 -15.981 -14.413 -5.101 1.00 0.00 N ATOM 469 CA ILE A 30 -14.808 -13.557 -5.236 1.00 0.00 C ATOM 470 C ILE A 30 -13.549 -14.383 -5.472 1.00 0.00 C ATOM 471 O ILE A 30 -13.244 -15.302 -4.710 1.00 0.00 O ATOM 472 CB ILE A 30 -14.606 -12.678 -3.987 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.864 -11.853 -3.708 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.400 -11.770 -4.169 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.833 -11.135 -2.378 1.00 0.00 C ATOM 0 H ILE A 30 -16.066 -14.872 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.984 -12.914 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.423 -13.326 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.992 -11.120 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.733 -12.510 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.270 -11.155 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.508 -12.377 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.556 -11.126 -5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.756 -10.571 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.737 -11.864 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.984 -10.452 -2.353 1.00 0.00 H new ATOM 487 N LEU A 31 -12.819 -14.050 -6.530 1.00 0.00 N ATOM 488 CA LEU A 31 -11.589 -14.760 -6.866 1.00 0.00 C ATOM 489 C LEU A 31 -10.393 -13.814 -6.852 1.00 0.00 C ATOM 490 O LEU A 31 -10.550 -12.598 -6.727 1.00 0.00 O ATOM 491 CB LEU A 31 -11.717 -15.418 -8.241 1.00 0.00 C ATOM 492 CG LEU A 31 -12.906 -16.361 -8.426 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.111 -17.213 -7.183 1.00 0.00 C ATOM 494 CD2 LEU A 31 -14.167 -15.573 -8.748 1.00 0.00 C ATOM 0 H LEU A 31 -13.057 -13.293 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.427 -15.532 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.782 -14.632 -8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.802 -15.976 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.692 -17.024 -9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.962 -17.878 -7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.216 -17.806 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.303 -16.567 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.003 -16.261 -8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.385 -14.885 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.018 -15.008 -9.668 1.00 0.00 H new ATOM 506 N THR A 32 -9.197 -14.378 -6.982 1.00 0.00 N ATOM 507 CA THR A 32 -7.974 -13.586 -6.985 1.00 0.00 C ATOM 508 C THR A 32 -7.564 -13.213 -8.405 1.00 0.00 C ATOM 509 O THR A 32 -7.429 -14.078 -9.271 1.00 0.00 O ATOM 510 CB THR A 32 -6.813 -14.341 -6.310 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.160 -14.665 -4.959 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.542 -13.506 -6.326 1.00 0.00 C ATOM 0 H THR A 32 -9.049 -15.382 -7.087 1.00 0.00 H new ATOM 0 HA THR A 32 -8.185 -12.678 -6.420 1.00 0.00 H new ATOM 0 HB THR A 32 -6.632 -15.259 -6.869 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.418 -15.146 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.737 -14.060 -5.844 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.264 -13.285 -7.357 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.713 -12.573 -5.789 1.00 0.00 H new ATOM 520 N LEU A 33 -7.366 -11.920 -8.638 1.00 0.00 N ATOM 521 CA LEU A 33 -6.970 -11.431 -9.955 1.00 0.00 C ATOM 522 C LEU A 33 -5.548 -11.868 -10.292 1.00 0.00 C ATOM 523 O LEU A 33 -4.612 -11.613 -9.532 1.00 0.00 O ATOM 524 CB LEU A 33 -7.074 -9.906 -10.007 1.00 0.00 C ATOM 525 CG LEU A 33 -7.404 -9.302 -11.373 1.00 0.00 C ATOM 526 CD1 LEU A 33 -7.325 -7.785 -11.318 1.00 0.00 C ATOM 527 CD2 LEU A 33 -6.466 -9.849 -12.438 1.00 0.00 C ATOM 0 H LEU A 33 -7.473 -11.191 -7.932 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.647 -11.860 -10.694 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.839 -9.590 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.128 -9.485 -9.665 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.424 -9.583 -11.637 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.563 -7.372 -12.299 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.038 -7.410 -10.584 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.317 -7.483 -11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.715 -9.409 -13.403 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.437 -9.599 -12.180 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.573 -10.932 -12.495 1.00 0.00 H new ATOM 539 N LEU A 34 -5.391 -12.523 -11.437 1.00 0.00 N ATOM 540 CA LEU A 34 -4.082 -12.993 -11.877 1.00 0.00 C ATOM 541 C LEU A 34 -3.667 -12.309 -13.175 1.00 0.00 C ATOM 542 O LEU A 34 -2.531 -11.859 -13.315 1.00 0.00 O ATOM 543 CB LEU A 34 -4.101 -14.510 -12.070 1.00 0.00 C ATOM 544 CG LEU A 34 -3.637 -15.345 -10.875 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.368 -14.920 -9.611 1.00 0.00 C ATOM 546 CD2 LEU A 34 -3.850 -16.827 -11.145 1.00 0.00 C ATOM 0 H LEU A 34 -6.154 -12.741 -12.078 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.354 -12.741 -11.106 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.117 -14.811 -12.325 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.471 -14.755 -12.925 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.571 -15.173 -10.728 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.025 -15.525 -8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.163 -13.869 -9.408 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.440 -15.061 -9.746 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.514 -17.406 -10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.909 -17.017 -11.319 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.279 -17.122 -12.025 1.00 0.00 H new ATOM 558 N ASN A 35 -4.596 -12.234 -14.122 1.00 0.00 N ATOM 559 CA ASN A 35 -4.327 -11.604 -15.410 1.00 0.00 C ATOM 560 C ASN A 35 -5.427 -10.609 -15.769 1.00 0.00 C ATOM 561 O ASN A 35 -6.608 -10.955 -15.790 1.00 0.00 O ATOM 562 CB ASN A 35 -4.205 -12.665 -16.505 1.00 0.00 C ATOM 563 CG ASN A 35 -3.393 -12.180 -17.691 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.000 -11.338 -18.519 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.235 -12.560 -17.861 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.542 -12.602 -14.022 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.384 -11.063 -15.332 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.740 -13.559 -16.091 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.201 -12.951 -16.843 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.808 -13.208 -17.199 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.702 -12.227 -18.664 1.00 0.00 H new ATOM 572 N SER A 36 -5.030 -9.373 -16.052 1.00 0.00 N ATOM 573 CA SER A 36 -5.982 -8.327 -16.408 1.00 0.00 C ATOM 574 C SER A 36 -5.511 -7.560 -17.640 1.00 0.00 C ATOM 575 O SER A 36 -5.838 -6.386 -17.818 1.00 0.00 O ATOM 576 CB SER A 36 -6.174 -7.363 -15.235 1.00 0.00 C ATOM 577 OG SER A 36 -4.976 -7.220 -14.491 1.00 0.00 O ATOM 0 H SER A 36 -4.056 -9.071 -16.042 1.00 0.00 H new ATOM 0 HA SER A 36 -6.936 -8.801 -16.640 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.492 -6.390 -15.608 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.968 -7.730 -14.585 1.00 0.00 H new ATOM 0 HG SER A 36 -5.124 -6.598 -13.748 1.00 0.00 H new ATOM 583 N THR A 37 -4.740 -8.232 -18.489 1.00 0.00 N ATOM 584 CA THR A 37 -4.223 -7.616 -19.704 1.00 0.00 C ATOM 585 C THR A 37 -5.165 -7.843 -20.880 1.00 0.00 C ATOM 586 O THR A 37 -4.790 -7.647 -22.035 1.00 0.00 O ATOM 587 CB THR A 37 -2.830 -8.166 -20.063 1.00 0.00 C ATOM 588 OG1 THR A 37 -2.103 -8.477 -18.869 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.047 -7.157 -20.891 1.00 0.00 C ATOM 0 H THR A 37 -4.460 -9.204 -18.357 1.00 0.00 H new ATOM 0 HA THR A 37 -4.144 -6.547 -19.507 1.00 0.00 H new ATOM 0 HB THR A 37 -2.963 -9.073 -20.653 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.219 -8.828 -19.106 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.067 -7.567 -21.133 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.589 -6.944 -21.813 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.924 -6.236 -20.321 1.00 0.00 H new ATOM 597 N ASN A 38 -6.392 -8.256 -20.579 1.00 0.00 N ATOM 598 CA ASN A 38 -7.389 -8.510 -21.612 1.00 0.00 C ATOM 599 C ASN A 38 -8.779 -8.096 -21.141 1.00 0.00 C ATOM 600 O ASN A 38 -9.455 -8.843 -20.433 1.00 0.00 O ATOM 601 CB ASN A 38 -7.389 -9.991 -21.998 1.00 0.00 C ATOM 602 CG ASN A 38 -7.254 -10.198 -23.494 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.372 -10.923 -23.955 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.131 -9.561 -24.261 1.00 0.00 N ATOM 0 H ASN A 38 -6.720 -8.422 -19.627 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.129 -7.914 -22.486 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.569 -10.497 -21.488 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.313 -10.454 -21.652 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.090 -9.663 -25.275 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.846 -8.970 -23.836 1.00 0.00 H new ATOM 611 N LYS A 39 -9.201 -6.901 -21.538 1.00 0.00 N ATOM 612 CA LYS A 39 -10.512 -6.386 -21.159 1.00 0.00 C ATOM 613 C LYS A 39 -11.600 -7.423 -21.421 1.00 0.00 C ATOM 614 O LYS A 39 -12.587 -7.499 -20.689 1.00 0.00 O ATOM 615 CB LYS A 39 -10.821 -5.101 -21.929 1.00 0.00 C ATOM 616 CG LYS A 39 -9.699 -4.078 -21.881 1.00 0.00 C ATOM 617 CD LYS A 39 -9.291 -3.765 -20.451 1.00 0.00 C ATOM 618 CE LYS A 39 -10.451 -3.188 -19.654 1.00 0.00 C ATOM 619 NZ LYS A 39 -11.029 -1.982 -20.309 1.00 0.00 N ATOM 0 H LYS A 39 -8.654 -6.270 -22.123 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.493 -6.166 -20.092 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.028 -5.352 -22.969 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.728 -4.653 -21.522 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.837 -4.455 -22.432 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.019 -3.162 -22.378 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.932 -4.673 -19.967 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.463 -3.057 -20.455 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.226 -3.946 -19.540 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.110 -2.928 -18.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.659 -1.493 -19.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.262 -1.340 -20.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.570 -2.269 -21.149 1.00 0.00 H new ATOM 633 N ASP A 40 -11.412 -8.219 -22.468 1.00 0.00 N ATOM 634 CA ASP A 40 -12.377 -9.253 -22.824 1.00 0.00 C ATOM 635 C ASP A 40 -12.519 -10.275 -21.701 1.00 0.00 C ATOM 636 O ASP A 40 -13.548 -10.333 -21.028 1.00 0.00 O ATOM 637 CB ASP A 40 -11.952 -9.952 -24.116 1.00 0.00 C ATOM 638 CG ASP A 40 -11.896 -9.003 -25.297 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.769 -8.114 -25.385 1.00 0.00 O ATOM 640 OD2 ASP A 40 -10.981 -9.150 -26.134 1.00 0.00 O ATOM 0 H ASP A 40 -10.601 -8.168 -23.085 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.344 -8.775 -22.979 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.972 -10.408 -23.973 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.651 -10.759 -24.335 1.00 0.00 H new ATOM 645 N TRP A 41 -11.479 -11.078 -21.504 1.00 0.00 N ATOM 646 CA TRP A 41 -11.489 -12.099 -20.463 1.00 0.00 C ATOM 647 C TRP A 41 -10.368 -11.860 -19.457 1.00 0.00 C ATOM 648 O TRP A 41 -9.292 -11.381 -19.815 1.00 0.00 O ATOM 649 CB TRP A 41 -11.347 -13.490 -21.082 1.00 0.00 C ATOM 650 CG TRP A 41 -12.283 -13.728 -22.229 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.147 -13.267 -23.507 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.499 -14.483 -22.200 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.205 -13.690 -24.275 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.048 -14.438 -23.496 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.177 -15.194 -21.206 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.242 -15.076 -23.821 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.362 -15.826 -21.530 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.884 -15.765 -22.828 1.00 0.00 C ATOM 0 H TRP A 41 -10.619 -11.042 -22.051 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.443 -12.039 -19.939 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.321 -13.624 -21.426 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.527 -14.242 -20.314 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.328 -12.659 -23.862 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.341 -13.481 -25.264 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.782 -15.248 -20.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.647 -15.029 -24.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.895 -16.377 -20.769 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.812 -16.272 -23.050 1.00 0.00 H new ATOM 669 N TRP A 42 -10.627 -12.197 -18.199 1.00 0.00 N ATOM 670 CA TRP A 42 -9.639 -12.019 -17.141 1.00 0.00 C ATOM 671 C TRP A 42 -9.315 -13.349 -16.470 1.00 0.00 C ATOM 672 O TRP A 42 -10.174 -14.222 -16.351 1.00 0.00 O ATOM 673 CB TRP A 42 -10.149 -11.020 -16.101 1.00 0.00 C ATOM 674 CG TRP A 42 -10.104 -9.598 -16.572 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.327 -9.090 -17.574 1.00 0.00 C ATOM 676 CD2 TRP A 42 -10.867 -8.501 -16.058 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.561 -7.744 -17.714 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.502 -7.358 -16.796 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.824 -8.373 -15.048 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.061 -6.106 -16.554 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.377 -7.129 -14.808 1.00 0.00 C ATOM 682 CH2 TRP A 42 -11.995 -6.009 -15.559 1.00 0.00 C ATOM 0 H TRP A 42 -11.513 -12.595 -17.886 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.727 -11.629 -17.592 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.175 -11.275 -15.835 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.552 -11.114 -15.194 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.631 -9.663 -18.169 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.108 -7.131 -18.392 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.126 -9.231 -14.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.768 -5.242 -17.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.116 -7.018 -14.028 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.447 -5.051 -15.348 1.00 0.00 H new ATOM 693 N LYS A 43 -8.069 -13.498 -16.032 1.00 0.00 N ATOM 694 CA LYS A 43 -7.630 -14.721 -15.370 1.00 0.00 C ATOM 695 C LYS A 43 -7.730 -14.586 -13.854 1.00 0.00 C ATOM 696 O LYS A 43 -7.002 -13.805 -13.241 1.00 0.00 O ATOM 697 CB LYS A 43 -6.191 -15.053 -15.770 1.00 0.00 C ATOM 698 CG LYS A 43 -5.838 -16.521 -15.607 1.00 0.00 C ATOM 699 CD LYS A 43 -4.371 -16.707 -15.257 1.00 0.00 C ATOM 700 CE LYS A 43 -3.543 -17.046 -16.487 1.00 0.00 C ATOM 701 NZ LYS A 43 -2.119 -17.311 -16.141 1.00 0.00 N ATOM 0 H LYS A 43 -7.345 -12.786 -16.124 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.285 -15.532 -15.688 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.036 -14.764 -16.809 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.508 -14.455 -15.167 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.458 -16.960 -14.825 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.063 -17.055 -16.530 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.987 -15.796 -14.798 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.270 -17.502 -14.519 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.966 -17.921 -16.980 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.597 -16.223 -17.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.588 -17.538 -17.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.708 -16.467 -15.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.066 -18.113 -15.481 1.00 0.00 H new ATOM 715 N VAL A 44 -8.636 -15.353 -13.255 1.00 0.00 N ATOM 716 CA VAL A 44 -8.829 -15.320 -11.810 1.00 0.00 C ATOM 717 C VAL A 44 -8.431 -16.647 -11.173 1.00 0.00 C ATOM 718 O VAL A 44 -8.264 -17.652 -11.863 1.00 0.00 O ATOM 719 CB VAL A 44 -10.292 -15.007 -11.446 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.742 -13.713 -12.108 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.199 -16.162 -11.843 1.00 0.00 C ATOM 0 H VAL A 44 -9.247 -16.004 -13.748 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.189 -14.527 -11.423 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.359 -14.877 -10.366 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.778 -13.508 -11.839 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.110 -12.892 -11.769 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.660 -13.811 -13.191 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.229 -15.923 -11.578 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.129 -16.326 -12.918 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.889 -17.065 -11.317 1.00 0.00 H new ATOM 731 N GLU A 45 -8.283 -16.642 -9.852 1.00 0.00 N ATOM 732 CA GLU A 45 -7.904 -17.846 -9.122 1.00 0.00 C ATOM 733 C GLU A 45 -8.952 -18.195 -8.068 1.00 0.00 C ATOM 734 O GLU A 45 -9.358 -17.346 -7.275 1.00 0.00 O ATOM 735 CB GLU A 45 -6.539 -17.658 -8.457 1.00 0.00 C ATOM 736 CG GLU A 45 -5.590 -18.825 -8.675 1.00 0.00 C ATOM 737 CD GLU A 45 -4.219 -18.582 -8.074 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.115 -17.742 -7.156 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.251 -19.231 -8.522 1.00 0.00 O ATOM 0 H GLU A 45 -8.420 -15.818 -9.266 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.842 -18.668 -9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.078 -16.749 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.683 -17.513 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.020 -19.725 -8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.486 -19.009 -9.744 1.00 0.00 H new ATOM 746 N VAL A 46 -9.385 -19.452 -8.067 1.00 0.00 N ATOM 747 CA VAL A 46 -10.384 -19.915 -7.111 1.00 0.00 C ATOM 748 C VAL A 46 -9.763 -20.838 -6.069 1.00 0.00 C ATOM 749 O VAL A 46 -8.595 -21.213 -6.174 1.00 0.00 O ATOM 750 CB VAL A 46 -11.535 -20.657 -7.817 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.148 -19.783 -8.901 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.042 -21.974 -8.398 1.00 0.00 C ATOM 0 H VAL A 46 -9.060 -20.167 -8.717 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.782 -19.029 -6.616 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.308 -20.877 -7.081 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.959 -20.324 -9.389 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.538 -18.869 -8.454 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.386 -19.530 -9.638 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.868 -22.485 -8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.250 -21.779 -9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.654 -22.603 -7.596 1.00 0.00 H new ATOM 762 N LYS A 47 -10.551 -21.202 -5.064 1.00 0.00 N ATOM 763 CA LYS A 47 -10.080 -22.083 -4.002 1.00 0.00 C ATOM 764 C LYS A 47 -10.943 -23.338 -3.913 1.00 0.00 C ATOM 765 O LYS A 47 -12.170 -23.264 -3.981 1.00 0.00 O ATOM 766 CB LYS A 47 -10.089 -21.349 -2.659 1.00 0.00 C ATOM 767 CG LYS A 47 -11.482 -21.144 -2.088 1.00 0.00 C ATOM 768 CD LYS A 47 -11.597 -19.814 -1.363 1.00 0.00 C ATOM 769 CE LYS A 47 -11.093 -19.913 0.068 1.00 0.00 C ATOM 770 NZ LYS A 47 -11.681 -18.856 0.938 1.00 0.00 N ATOM 0 H LYS A 47 -11.520 -20.900 -4.962 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.059 -22.381 -4.239 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.491 -21.912 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.609 -20.378 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.216 -21.185 -2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.717 -21.956 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.026 -19.056 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.637 -19.488 -1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.339 -20.895 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.006 -19.828 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.312 -18.958 1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.425 -17.919 0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.716 -18.953 0.950 1.00 0.00 H new ATOM 784 N ALA A 48 -10.295 -24.487 -3.760 1.00 0.00 N ATOM 785 CA ALA A 48 -11.004 -25.757 -3.658 1.00 0.00 C ATOM 786 C ALA A 48 -11.119 -26.207 -2.206 1.00 0.00 C ATOM 787 O ALA A 48 -10.623 -25.540 -1.297 1.00 0.00 O ATOM 788 CB ALA A 48 -10.301 -26.822 -4.488 1.00 0.00 C ATOM 0 H ALA A 48 -9.280 -24.565 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.012 -25.614 -4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.841 -27.765 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.276 -26.511 -5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.282 -26.953 -4.124 1.00 0.00 H new ATOM 794 N THR A 49 -11.778 -27.342 -1.993 1.00 0.00 N ATOM 795 CA THR A 49 -11.960 -27.879 -0.651 1.00 0.00 C ATOM 796 C THR A 49 -11.951 -29.403 -0.663 1.00 0.00 C ATOM 797 O THR A 49 -12.592 -30.030 -1.506 1.00 0.00 O ATOM 798 CB THR A 49 -13.280 -27.390 -0.024 1.00 0.00 C ATOM 799 OG1 THR A 49 -13.588 -26.074 -0.497 1.00 0.00 O ATOM 800 CG2 THR A 49 -13.186 -27.380 1.494 1.00 0.00 C ATOM 0 H THR A 49 -12.194 -27.907 -2.733 1.00 0.00 H new ATOM 0 HA THR A 49 -11.125 -27.518 -0.050 1.00 0.00 H new ATOM 0 HB THR A 49 -14.074 -28.077 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.429 -25.771 -0.095 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.129 -27.031 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.980 -28.388 1.852 1.00 0.00 H new ATOM 0 HG23 THR A 49 -12.382 -26.713 1.804 1.00 0.00 H new ATOM 808 N ALA A 50 -11.221 -29.994 0.278 1.00 0.00 N ATOM 809 CA ALA A 50 -11.132 -31.445 0.376 1.00 0.00 C ATOM 810 C ALA A 50 -10.274 -31.863 1.566 1.00 0.00 C ATOM 811 O ALA A 50 -9.209 -31.296 1.804 1.00 0.00 O ATOM 812 CB ALA A 50 -10.570 -32.028 -0.912 1.00 0.00 C ATOM 0 H ALA A 50 -10.683 -29.490 0.983 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.138 -31.836 0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.509 -33.113 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.223 -31.767 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.574 -31.622 -1.091 1.00 0.00 H new ATOM 818 N ASN A 51 -10.746 -32.858 2.310 1.00 0.00 N ATOM 819 CA ASN A 51 -10.022 -33.350 3.476 1.00 0.00 C ATOM 820 C ASN A 51 -9.707 -32.211 4.441 1.00 0.00 C ATOM 821 O ASN A 51 -8.609 -32.138 4.993 1.00 0.00 O ATOM 822 CB ASN A 51 -8.728 -34.041 3.045 1.00 0.00 C ATOM 823 CG ASN A 51 -8.127 -34.888 4.150 1.00 0.00 C ATOM 824 OD1 ASN A 51 -8.827 -35.660 4.805 1.00 0.00 O ATOM 825 ND2 ASN A 51 -6.824 -34.745 4.364 1.00 0.00 N ATOM 0 H ASN A 51 -11.626 -33.339 2.126 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.657 -34.072 3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.927 -34.670 2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.004 -33.288 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.365 -35.287 5.096 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.283 -34.093 3.797 1.00 0.00 H new ATOM 832 N ASP A 52 -10.677 -31.326 4.641 1.00 0.00 N ATOM 833 CA ASP A 52 -10.504 -30.192 5.540 1.00 0.00 C ATOM 834 C ASP A 52 -9.335 -29.319 5.096 1.00 0.00 C ATOM 835 O ASP A 52 -8.716 -28.630 5.907 1.00 0.00 O ATOM 836 CB ASP A 52 -10.278 -30.679 6.972 1.00 0.00 C ATOM 837 CG ASP A 52 -11.268 -31.751 7.383 1.00 0.00 C ATOM 838 OD1 ASP A 52 -12.449 -31.413 7.607 1.00 0.00 O ATOM 839 OD2 ASP A 52 -10.862 -32.928 7.481 1.00 0.00 O ATOM 0 H ASP A 52 -11.592 -31.372 4.192 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.414 -29.593 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.265 -31.070 7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.357 -29.834 7.656 1.00 0.00 H new ATOM 844 N LYS A 53 -9.036 -29.354 3.802 1.00 0.00 N ATOM 845 CA LYS A 53 -7.941 -28.566 3.247 1.00 0.00 C ATOM 846 C LYS A 53 -8.417 -27.730 2.064 1.00 0.00 C ATOM 847 O LYS A 53 -9.271 -28.160 1.289 1.00 0.00 O ATOM 848 CB LYS A 53 -6.797 -29.484 2.810 1.00 0.00 C ATOM 849 CG LYS A 53 -6.094 -30.174 3.966 1.00 0.00 C ATOM 850 CD LYS A 53 -5.015 -31.124 3.476 1.00 0.00 C ATOM 851 CE LYS A 53 -3.710 -30.391 3.201 1.00 0.00 C ATOM 852 NZ LYS A 53 -3.047 -29.949 4.459 1.00 0.00 N ATOM 0 H LYS A 53 -9.537 -29.920 3.117 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.581 -27.891 4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.189 -30.241 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.068 -28.900 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.650 -29.425 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.823 -30.725 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.847 -31.901 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.352 -31.622 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.037 -31.044 2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.906 -29.524 2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.047 -29.736 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.520 -29.096 4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.110 -30.706 5.169 1.00 0.00 H new ATOM 866 N THR A 54 -7.857 -26.531 1.930 1.00 0.00 N ATOM 867 CA THR A 54 -8.224 -25.634 0.841 1.00 0.00 C ATOM 868 C THR A 54 -7.131 -25.581 -0.220 1.00 0.00 C ATOM 869 O THR A 54 -5.969 -25.311 0.086 1.00 0.00 O ATOM 870 CB THR A 54 -8.495 -24.208 1.355 1.00 0.00 C ATOM 871 OG1 THR A 54 -8.889 -24.250 2.731 1.00 0.00 O ATOM 872 CG2 THR A 54 -9.582 -23.533 0.532 1.00 0.00 C ATOM 0 H THR A 54 -7.148 -26.159 2.562 1.00 0.00 H new ATOM 0 HA THR A 54 -9.137 -26.032 0.398 1.00 0.00 H new ATOM 0 HB THR A 54 -7.576 -23.630 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.058 -23.339 3.051 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.756 -22.527 0.914 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.267 -23.476 -0.510 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.503 -24.112 0.601 1.00 0.00 H new ATOM 880 N TYR A 55 -7.509 -25.838 -1.466 1.00 0.00 N ATOM 881 CA TYR A 55 -6.559 -25.821 -2.573 1.00 0.00 C ATOM 882 C TYR A 55 -6.684 -24.531 -3.378 1.00 0.00 C ATOM 883 O TYR A 55 -7.566 -23.711 -3.123 1.00 0.00 O ATOM 884 CB TYR A 55 -6.784 -27.028 -3.485 1.00 0.00 C ATOM 885 CG TYR A 55 -6.693 -28.355 -2.766 1.00 0.00 C ATOM 886 CD1 TYR A 55 -7.757 -28.835 -2.014 1.00 0.00 C ATOM 887 CD2 TYR A 55 -5.541 -29.129 -2.840 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.678 -30.047 -1.355 1.00 0.00 C ATOM 889 CE2 TYR A 55 -5.453 -30.343 -2.186 1.00 0.00 C ATOM 890 CZ TYR A 55 -6.524 -30.797 -1.445 1.00 0.00 C ATOM 891 OH TYR A 55 -6.441 -32.005 -0.791 1.00 0.00 O ATOM 0 H TYR A 55 -8.467 -26.061 -1.736 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.553 -25.872 -2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.766 -26.943 -3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.048 -27.008 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.662 -28.251 -1.943 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.700 -28.776 -3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.515 -30.405 -0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.551 -30.933 -2.255 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.563 -32.407 -0.957 1.00 0.00 H new ATOM 901 N GLU A 56 -5.795 -24.360 -4.351 1.00 0.00 N ATOM 902 CA GLU A 56 -5.805 -23.170 -5.194 1.00 0.00 C ATOM 903 C GLU A 56 -5.698 -23.546 -6.668 1.00 0.00 C ATOM 904 O GLU A 56 -4.819 -24.314 -7.061 1.00 0.00 O ATOM 905 CB GLU A 56 -4.656 -22.235 -4.809 1.00 0.00 C ATOM 906 CG GLU A 56 -3.281 -22.855 -4.993 1.00 0.00 C ATOM 907 CD GLU A 56 -2.210 -22.147 -4.187 1.00 0.00 C ATOM 908 OE1 GLU A 56 -2.393 -20.952 -3.875 1.00 0.00 O ATOM 909 OE2 GLU A 56 -1.187 -22.788 -3.868 1.00 0.00 O ATOM 0 H GLU A 56 -5.059 -25.030 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.752 -22.653 -5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.720 -21.328 -5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.775 -21.937 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.317 -23.904 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.013 -22.828 -6.049 1.00 0.00 H new ATOM 916 N ARG A 57 -6.598 -23.001 -7.480 1.00 0.00 N ATOM 917 CA ARG A 57 -6.606 -23.281 -8.910 1.00 0.00 C ATOM 918 C ARG A 57 -6.851 -22.006 -9.712 1.00 0.00 C ATOM 919 O ARG A 57 -7.529 -21.090 -9.247 1.00 0.00 O ATOM 920 CB ARG A 57 -7.680 -24.319 -9.243 1.00 0.00 C ATOM 921 CG ARG A 57 -7.603 -24.839 -10.669 1.00 0.00 C ATOM 922 CD ARG A 57 -6.346 -25.664 -10.894 1.00 0.00 C ATOM 923 NE ARG A 57 -6.184 -26.703 -9.881 1.00 0.00 N ATOM 924 CZ ARG A 57 -5.024 -27.291 -9.611 1.00 0.00 C ATOM 925 NH1 ARG A 57 -3.930 -26.944 -10.275 1.00 0.00 N ATOM 926 NH2 ARG A 57 -4.957 -28.229 -8.674 1.00 0.00 N ATOM 0 H ARG A 57 -7.331 -22.363 -7.171 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.629 -23.680 -9.182 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.588 -25.158 -8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.663 -23.878 -9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.482 -25.447 -10.884 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.618 -24.000 -11.365 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.386 -26.124 -11.881 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.475 -25.008 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.006 -26.993 -9.352 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.978 -26.224 -10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.041 -27.397 -10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.797 -28.498 -8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.066 -28.680 -8.467 1.00 0.00 H new ATOM 940 N GLN A 58 -6.294 -21.955 -10.918 1.00 0.00 N ATOM 941 CA GLN A 58 -6.451 -20.792 -11.783 1.00 0.00 C ATOM 942 C GLN A 58 -7.421 -21.088 -12.922 1.00 0.00 C ATOM 943 O GLN A 58 -7.622 -22.243 -13.296 1.00 0.00 O ATOM 944 CB GLN A 58 -5.096 -20.365 -12.350 1.00 0.00 C ATOM 945 CG GLN A 58 -4.568 -21.295 -13.431 1.00 0.00 C ATOM 946 CD GLN A 58 -5.035 -20.901 -14.819 1.00 0.00 C ATOM 947 OE1 GLN A 58 -4.412 -19.873 -15.383 1.00 0.00 O flip ATOM 948 NE2 GLN A 58 -5.945 -21.514 -15.377 1.00 0.00 N flip ATOM 0 H GLN A 58 -5.730 -22.705 -11.318 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.859 -19.978 -11.184 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.184 -19.359 -12.759 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.371 -20.317 -11.538 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.478 -21.295 -13.405 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.892 -22.314 -13.218 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.396 -22.298 -14.906 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.248 -21.238 -16.311 1.00 0.00 H new ATOM 957 N GLY A 59 -8.022 -20.036 -13.469 1.00 0.00 N ATOM 958 CA GLY A 59 -8.965 -20.204 -14.559 1.00 0.00 C ATOM 959 C GLY A 59 -9.381 -18.883 -15.175 1.00 0.00 C ATOM 960 O GLY A 59 -9.427 -17.859 -14.493 1.00 0.00 O ATOM 0 H GLY A 59 -7.873 -19.070 -13.177 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.519 -20.835 -15.327 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.850 -20.725 -14.193 1.00 0.00 H new ATOM 964 N PHE A 60 -9.684 -18.904 -16.469 1.00 0.00 N ATOM 965 CA PHE A 60 -10.095 -17.698 -17.178 1.00 0.00 C ATOM 966 C PHE A 60 -11.603 -17.489 -17.067 1.00 0.00 C ATOM 967 O PHE A 60 -12.361 -18.442 -16.887 1.00 0.00 O ATOM 968 CB PHE A 60 -9.688 -17.782 -18.650 1.00 0.00 C ATOM 969 CG PHE A 60 -8.277 -17.335 -18.909 1.00 0.00 C ATOM 970 CD1 PHE A 60 -7.996 -16.005 -19.176 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.233 -18.245 -18.883 1.00 0.00 C ATOM 972 CE1 PHE A 60 -6.699 -15.592 -19.415 1.00 0.00 C ATOM 973 CE2 PHE A 60 -5.933 -17.837 -19.120 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.666 -16.509 -19.386 1.00 0.00 C ATOM 0 H PHE A 60 -9.653 -19.743 -17.048 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.593 -16.847 -16.717 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.803 -18.810 -18.992 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.369 -17.171 -19.242 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.799 -15.283 -19.198 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.437 -19.285 -18.675 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.493 -14.553 -19.624 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.128 -18.556 -19.097 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.652 -16.188 -19.571 1.00 0.00 H new ATOM 984 N VAL A 61 -12.030 -16.235 -17.175 1.00 0.00 N ATOM 985 CA VAL A 61 -13.446 -15.900 -17.087 1.00 0.00 C ATOM 986 C VAL A 61 -13.744 -14.582 -17.793 1.00 0.00 C ATOM 987 O VAL A 61 -12.867 -13.740 -17.984 1.00 0.00 O ATOM 988 CB VAL A 61 -13.910 -15.801 -15.621 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.205 -17.183 -15.060 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.864 -15.087 -14.779 1.00 0.00 C ATOM 0 H VAL A 61 -11.416 -15.435 -17.324 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.992 -16.704 -17.580 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.830 -15.218 -15.588 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.531 -17.093 -14.024 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.992 -17.654 -15.649 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.303 -17.794 -15.105 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.208 -15.026 -13.746 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.926 -15.641 -14.817 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.707 -14.081 -15.169 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.012 -14.397 -18.191 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.455 -13.183 -18.881 1.00 0.00 C ATOM 1002 C PRO A 62 -15.462 -11.964 -17.965 1.00 0.00 C ATOM 1003 O PRO A 62 -16.098 -11.971 -16.911 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.880 -13.526 -19.324 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.335 -14.567 -18.360 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.109 -15.359 -17.996 1.00 0.00 C ATOM 0 HA PRO A 62 -14.790 -12.917 -19.703 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.526 -12.649 -19.294 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.897 -13.900 -20.348 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.782 -14.112 -17.476 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.095 -15.208 -18.807 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.152 -15.716 -16.967 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.993 -16.236 -18.633 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.750 -10.919 -18.373 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.676 -9.692 -17.589 1.00 0.00 C ATOM 1016 C ALA A 63 -16.051 -9.049 -17.444 1.00 0.00 C ATOM 1017 O ALA A 63 -16.260 -8.195 -16.583 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.700 -8.715 -18.228 1.00 0.00 C ATOM 0 H ALA A 63 -14.216 -10.897 -19.242 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.317 -9.949 -16.592 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.655 -7.804 -17.632 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.710 -9.168 -18.274 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.035 -8.473 -19.236 1.00 0.00 H new ATOM 1024 N ALA A 64 -16.986 -9.465 -18.293 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.342 -8.931 -18.258 1.00 0.00 C ATOM 1026 C ALA A 64 -19.150 -9.558 -17.126 1.00 0.00 C ATOM 1027 O ALA A 64 -20.302 -9.190 -16.896 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.034 -9.160 -19.593 1.00 0.00 C ATOM 0 H ALA A 64 -16.829 -10.170 -19.013 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.279 -7.859 -18.073 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.046 -8.756 -19.552 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.475 -8.659 -20.383 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.078 -10.229 -19.801 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.539 -10.506 -16.424 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.203 -11.186 -15.319 1.00 0.00 C ATOM 1036 C TYR A 65 -18.405 -11.034 -14.028 1.00 0.00 C ATOM 1037 O TYR A 65 -18.526 -11.846 -13.110 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.392 -12.668 -15.644 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.365 -12.921 -16.774 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.066 -12.534 -18.074 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.583 -13.549 -16.541 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -20.953 -12.762 -19.109 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.474 -13.783 -17.569 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.155 -13.387 -18.852 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.040 -13.618 -19.880 1.00 0.00 O ATOM 0 H TYR A 65 -17.585 -10.821 -16.601 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.181 -10.725 -15.177 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.426 -13.100 -15.904 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.743 -13.185 -14.751 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.124 -12.047 -18.280 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -21.837 -13.859 -15.538 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -20.706 -12.452 -20.114 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.416 -14.273 -17.370 1.00 0.00 H new ATOM 0 HH TYR A 65 -23.837 -14.068 -19.530 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.588 -9.988 -13.964 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.770 -9.727 -12.785 1.00 0.00 C ATOM 1057 C VAL A 66 -16.515 -8.234 -12.612 1.00 0.00 C ATOM 1058 O VAL A 66 -16.653 -7.456 -13.556 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.418 -10.461 -12.867 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.632 -11.961 -12.999 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.592 -9.927 -14.027 1.00 0.00 C ATOM 0 H VAL A 66 -17.475 -9.307 -14.715 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.326 -10.099 -11.925 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.867 -10.277 -11.944 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.666 -12.463 -13.056 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.181 -12.328 -12.132 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.202 -12.169 -13.904 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.640 -10.457 -14.070 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.134 -10.079 -14.960 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.409 -8.862 -13.883 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.143 -7.840 -11.399 1.00 0.00 N ATOM 1072 CA LYS A 67 -15.867 -6.439 -11.101 1.00 0.00 C ATOM 1073 C LYS A 67 -14.871 -6.314 -9.952 1.00 0.00 C ATOM 1074 O LYS A 67 -15.095 -6.843 -8.863 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.163 -5.706 -10.749 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.767 -4.945 -11.916 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.261 -3.513 -11.970 1.00 0.00 C ATOM 1078 CE LYS A 67 -17.361 -2.939 -13.375 1.00 0.00 C ATOM 1079 NZ LYS A 67 -16.434 -1.791 -13.572 1.00 0.00 N ATOM 0 H LYS A 67 -16.026 -8.471 -10.606 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.430 -5.983 -11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -17.891 -6.429 -10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.967 -5.009 -9.934 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.523 -5.454 -12.849 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -18.853 -4.945 -11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.838 -2.896 -11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.224 -3.479 -11.635 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.134 -3.718 -14.103 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.385 -2.616 -13.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.532 -1.428 -14.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.667 -1.037 -12.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.455 -2.105 -13.417 1.00 0.00 H new ATOM 1093 N LYS A 68 -13.772 -5.611 -10.201 1.00 0.00 N ATOM 1094 CA LYS A 68 -12.743 -5.413 -9.187 1.00 0.00 C ATOM 1095 C LYS A 68 -13.341 -4.828 -7.912 1.00 0.00 C ATOM 1096 O LYS A 68 -14.184 -3.932 -7.964 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.645 -4.489 -9.719 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.345 -4.578 -8.939 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.155 -4.165 -9.790 1.00 0.00 C ATOM 1100 CE LYS A 68 -9.177 -2.675 -10.093 1.00 0.00 C ATOM 1101 NZ LYS A 68 -8.627 -1.871 -8.967 1.00 0.00 N ATOM 0 H LYS A 68 -13.571 -5.168 -11.097 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.309 -6.385 -8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.450 -4.734 -10.763 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.004 -3.460 -9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.403 -3.938 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.202 -5.598 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.230 -4.418 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.161 -4.727 -10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.598 -2.480 -10.995 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.201 -2.361 -10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.396 -1.340 -8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.184 -2.505 -8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.915 -1.206 -9.331 1.00 0.00 H new ATOM 1115 N LEU A 69 -12.898 -5.339 -6.768 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.389 -4.865 -5.478 1.00 0.00 C ATOM 1117 C LEU A 69 -12.392 -3.907 -4.835 1.00 0.00 C ATOM 1118 O LEU A 69 -12.690 -2.730 -4.631 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.651 -6.049 -4.545 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.669 -7.078 -5.036 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.606 -8.338 -4.187 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -16.073 -6.490 -5.017 1.00 0.00 C ATOM 0 H LEU A 69 -12.200 -6.081 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.323 -4.329 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.705 -6.560 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.991 -5.661 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.421 -7.344 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.338 -9.059 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.607 -8.770 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.828 -8.089 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.785 -7.236 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.330 -6.195 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.111 -5.617 -5.668 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.206 -4.417 -4.521 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.163 -3.606 -3.904 1.00 0.00 C ATOM 1136 C ASP A 70 -9.841 -2.389 -4.766 1.00 0.00 C ATOM 1137 O ASP A 70 -9.587 -1.300 -4.249 1.00 0.00 O ATOM 1138 CB ASP A 70 -8.901 -4.440 -3.685 1.00 0.00 C ATOM 1139 CG ASP A 70 -7.942 -3.794 -2.705 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -7.623 -2.600 -2.887 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -7.510 -4.481 -1.755 1.00 0.00 O ATOM 0 H ASP A 70 -10.943 -5.389 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.530 -3.258 -2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.181 -5.427 -3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.396 -4.587 -4.640 1.00 0.00 H new TER 1146 ASP A 70