USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 732 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 31 THR OG1 : rot 30:sc= 0.277 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.29) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.145 K(o=0.15,f=-3.9!) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= 0.101 (180deg=0.0491) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -177:sc= -0.606 (180deg=-0.642) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -146:sc= 0.981 (180deg=0.308) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 0.878 (180deg=0.792) USER MOD Single : B 31 THR OG1 : rot 16:sc= 0.319 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= 0.158 K(o=0.16,f=-2.3) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.117) USER MOD Single : B 49 MET CE :methyl -163:sc= -0.463 (180deg=-0.746) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 SER OG : rot 11:sc= 0.186 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -167:sc= 0.946 (180deg=0.813) USER MOD Single : B 64 TYR OH : rot 150:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -8.243 14.492 -12.523 1.00 0.00 N ATOM 2 CA THR A 31 -7.704 13.121 -12.598 1.00 0.00 C ATOM 3 C THR A 31 -6.938 12.736 -11.323 1.00 0.00 C ATOM 4 O THR A 31 -6.352 13.592 -10.653 1.00 0.00 O ATOM 5 CB THR A 31 -6.752 12.950 -13.805 1.00 0.00 C ATOM 6 OG1 THR A 31 -7.151 13.688 -14.945 1.00 0.00 O ATOM 7 CG2 THR A 31 -6.604 11.499 -14.260 1.00 0.00 C ATOM 0 HA THR A 31 -8.567 12.466 -12.714 1.00 0.00 H new ATOM 0 HB THR A 31 -5.803 13.327 -13.422 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.632 14.493 -14.661 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.923 11.452 -15.110 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.205 10.900 -13.441 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.578 11.109 -14.554 1.00 0.00 H new ATOM 15 N ARG A 32 -6.915 11.446 -10.973 1.00 0.00 N ATOM 16 CA ARG A 32 -6.310 10.913 -9.760 1.00 0.00 C ATOM 17 C ARG A 32 -4.844 10.504 -10.003 1.00 0.00 C ATOM 18 O ARG A 32 -4.547 9.357 -10.346 1.00 0.00 O ATOM 19 CB ARG A 32 -7.196 9.755 -9.269 1.00 0.00 C ATOM 20 CG ARG A 32 -6.835 9.278 -7.867 1.00 0.00 C ATOM 21 CD ARG A 32 -7.223 10.278 -6.774 1.00 0.00 C ATOM 22 NE ARG A 32 -8.619 10.117 -6.319 1.00 0.00 N ATOM 23 CZ ARG A 32 -9.130 10.583 -5.190 1.00 0.00 C ATOM 24 NH1 ARG A 32 -8.422 11.276 -4.338 1.00 0.00 N ATOM 25 NH2 ARG A 32 -10.378 10.371 -4.887 1.00 0.00 N ATOM 0 H ARG A 32 -7.335 10.720 -11.554 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.263 11.672 -8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.239 10.073 -9.281 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.110 8.920 -9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.332 8.327 -7.674 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.762 9.093 -7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.552 10.157 -5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.083 11.292 -7.149 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.248 9.598 -6.932 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.441 11.474 -4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.851 11.619 -3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.974 9.841 -5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.760 10.735 -4.014 1.00 0.00 H new ATOM 39 N ALA A 33 -3.926 11.461 -9.870 1.00 0.00 N ATOM 40 CA ALA A 33 -2.487 11.210 -9.961 1.00 0.00 C ATOM 41 C ALA A 33 -1.991 10.175 -8.922 1.00 0.00 C ATOM 42 O ALA A 33 -2.416 10.173 -7.763 1.00 0.00 O ATOM 43 CB ALA A 33 -1.740 12.540 -9.817 1.00 0.00 C ATOM 0 H ALA A 33 -4.161 12.438 -9.695 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.280 10.772 -10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.666 12.363 -9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.046 13.218 -10.614 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.975 12.987 -8.851 1.00 0.00 H new ATOM 49 N VAL A 34 -1.056 9.322 -9.341 1.00 0.00 N ATOM 50 CA VAL A 34 -0.428 8.233 -8.571 1.00 0.00 C ATOM 51 C VAL A 34 1.059 8.191 -8.905 1.00 0.00 C ATOM 52 O VAL A 34 1.455 7.633 -9.920 1.00 0.00 O ATOM 53 CB VAL A 34 -1.092 6.864 -8.852 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.373 5.700 -8.152 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.550 6.832 -8.374 1.00 0.00 C ATOM 0 H VAL A 34 -0.688 9.372 -10.291 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.566 8.433 -7.508 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.032 6.743 -9.934 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.882 4.765 -8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.659 5.648 -8.500 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.385 5.861 -7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.982 5.855 -8.589 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.585 7.016 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.120 7.603 -8.893 1.00 0.00 H new ATOM 65 N SER A 35 1.882 8.811 -8.065 1.00 0.00 N ATOM 66 CA SER A 35 3.333 8.942 -8.253 1.00 0.00 C ATOM 67 C SER A 35 4.094 8.263 -7.109 1.00 0.00 C ATOM 68 O SER A 35 3.939 8.631 -5.940 1.00 0.00 O ATOM 69 CB SER A 35 3.697 10.421 -8.365 1.00 0.00 C ATOM 70 OG SER A 35 5.090 10.603 -8.562 1.00 0.00 O ATOM 0 H SER A 35 1.553 9.252 -7.206 1.00 0.00 H new ATOM 0 HA SER A 35 3.624 8.440 -9.175 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.150 10.869 -9.195 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.386 10.942 -7.460 1.00 0.00 H new ATOM 0 HG SER A 35 5.288 11.560 -8.631 1.00 0.00 H new ATOM 76 N LEU A 36 4.875 7.232 -7.443 1.00 0.00 N ATOM 77 CA LEU A 36 5.478 6.290 -6.493 1.00 0.00 C ATOM 78 C LEU A 36 6.944 5.975 -6.829 1.00 0.00 C ATOM 79 O LEU A 36 7.420 6.224 -7.939 1.00 0.00 O ATOM 80 CB LEU A 36 4.637 4.996 -6.471 1.00 0.00 C ATOM 81 CG LEU A 36 3.193 5.168 -5.962 1.00 0.00 C ATOM 82 CD1 LEU A 36 2.447 3.852 -6.128 1.00 0.00 C ATOM 83 CD2 LEU A 36 3.132 5.556 -4.485 1.00 0.00 C ATOM 0 H LEU A 36 5.113 7.022 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 36 5.480 6.755 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.604 4.584 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.143 4.262 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 36 2.741 5.970 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.424 3.966 -5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.434 3.572 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.949 3.074 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.091 5.664 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.608 4.780 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.654 6.501 -4.335 1.00 0.00 H new ATOM 95 N TYR A 37 7.639 5.382 -5.858 1.00 0.00 N ATOM 96 CA TYR A 37 9.093 5.206 -5.837 1.00 0.00 C ATOM 97 C TYR A 37 9.464 3.730 -5.664 1.00 0.00 C ATOM 98 O TYR A 37 9.599 3.214 -4.552 1.00 0.00 O ATOM 99 CB TYR A 37 9.706 6.113 -4.762 1.00 0.00 C ATOM 100 CG TYR A 37 9.618 7.584 -5.119 1.00 0.00 C ATOM 101 CD1 TYR A 37 10.609 8.160 -5.937 1.00 0.00 C ATOM 102 CD2 TYR A 37 8.531 8.367 -4.683 1.00 0.00 C ATOM 103 CE1 TYR A 37 10.525 9.514 -6.303 1.00 0.00 C ATOM 104 CE2 TYR A 37 8.439 9.720 -5.067 1.00 0.00 C ATOM 105 CZ TYR A 37 9.438 10.293 -5.872 1.00 0.00 C ATOM 106 OH TYR A 37 9.357 11.603 -6.240 1.00 0.00 O ATOM 0 H TYR A 37 7.186 4.995 -5.030 1.00 0.00 H new ATOM 0 HA TYR A 37 9.514 5.509 -6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.196 5.942 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.751 5.841 -4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.436 7.559 -6.284 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.769 7.931 -4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.296 9.956 -6.916 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.600 10.317 -4.742 1.00 0.00 H new ATOM 0 HH TYR A 37 8.545 12.000 -5.860 1.00 0.00 H new ATOM 116 N PHE A 38 9.530 3.029 -6.792 1.00 0.00 N ATOM 117 CA PHE A 38 10.004 1.660 -6.912 1.00 0.00 C ATOM 118 C PHE A 38 11.537 1.577 -6.748 1.00 0.00 C ATOM 119 O PHE A 38 12.246 2.588 -6.801 1.00 0.00 O ATOM 120 CB PHE A 38 9.560 1.174 -8.300 1.00 0.00 C ATOM 121 CG PHE A 38 8.139 0.630 -8.373 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.029 1.448 -8.075 1.00 0.00 C ATOM 123 CD2 PHE A 38 7.925 -0.706 -8.764 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.722 0.934 -8.169 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.620 -1.223 -8.839 1.00 0.00 C ATOM 126 CZ PHE A 38 5.518 -0.405 -8.541 1.00 0.00 C ATOM 0 H PHE A 38 9.240 3.421 -7.688 1.00 0.00 H new ATOM 0 HA PHE A 38 9.588 1.031 -6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.652 2.002 -9.004 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.247 0.396 -8.632 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.183 2.474 -7.773 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.768 -1.336 -9.007 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.875 1.570 -7.955 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.464 -2.252 -9.127 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.516 -0.804 -8.598 1.00 0.00 H new ATOM 136 N SER A 39 12.054 0.355 -6.633 1.00 0.00 N ATOM 137 CA SER A 39 13.494 0.073 -6.611 1.00 0.00 C ATOM 138 C SER A 39 13.907 -0.778 -7.810 1.00 0.00 C ATOM 139 O SER A 39 13.060 -1.412 -8.441 1.00 0.00 O ATOM 140 CB SER A 39 13.897 -0.605 -5.292 1.00 0.00 C ATOM 141 OG SER A 39 13.568 0.197 -4.169 1.00 0.00 O ATOM 0 H SER A 39 11.478 -0.482 -6.551 1.00 0.00 H new ATOM 0 HA SER A 39 14.023 1.024 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.395 -1.569 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.969 -0.803 -5.297 1.00 0.00 H new ATOM 0 HG SER A 39 13.836 -0.265 -3.347 1.00 0.00 H new ATOM 147 N ASP A 40 15.205 -0.767 -8.134 1.00 0.00 N ATOM 148 CA ASP A 40 15.780 -1.373 -9.344 1.00 0.00 C ATOM 149 C ASP A 40 15.230 -2.771 -9.654 1.00 0.00 C ATOM 150 O ASP A 40 14.641 -2.953 -10.713 1.00 0.00 O ATOM 151 CB ASP A 40 17.325 -1.332 -9.279 1.00 0.00 C ATOM 152 CG ASP A 40 17.994 -2.274 -8.248 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.448 -2.456 -7.132 1.00 0.00 O ATOM 154 OD2 ASP A 40 19.081 -2.817 -8.556 1.00 0.00 O ATOM 0 H ASP A 40 15.908 -0.322 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 40 15.461 -0.768 -10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.715 -1.574 -10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.631 -0.310 -9.057 1.00 0.00 H new ATOM 159 N GLU A 41 15.292 -3.716 -8.712 1.00 0.00 N ATOM 160 CA GLU A 41 14.794 -5.104 -8.880 1.00 0.00 C ATOM 161 C GLU A 41 13.303 -5.175 -9.190 1.00 0.00 C ATOM 162 O GLU A 41 12.890 -5.841 -10.139 1.00 0.00 O ATOM 163 CB GLU A 41 15.029 -5.931 -7.611 1.00 0.00 C ATOM 164 CG GLU A 41 16.500 -6.056 -7.224 1.00 0.00 C ATOM 165 CD GLU A 41 17.078 -7.384 -7.695 1.00 0.00 C ATOM 166 OE1 GLU A 41 17.493 -7.475 -8.872 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.129 -8.332 -6.879 1.00 0.00 O ATOM 0 H GLU A 41 15.695 -3.545 -7.791 1.00 0.00 H new ATOM 0 HA GLU A 41 15.354 -5.504 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.483 -5.476 -6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.615 -6.929 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.066 -5.234 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.603 -5.974 -6.142 1.00 0.00 H new ATOM 174 N GLN A 42 12.504 -4.448 -8.408 1.00 0.00 N ATOM 175 CA GLN A 42 11.045 -4.363 -8.572 1.00 0.00 C ATOM 176 C GLN A 42 10.672 -3.757 -9.936 1.00 0.00 C ATOM 177 O GLN A 42 9.806 -4.277 -10.639 1.00 0.00 O ATOM 178 CB GLN A 42 10.414 -3.558 -7.422 1.00 0.00 C ATOM 179 CG GLN A 42 10.232 -4.353 -6.118 1.00 0.00 C ATOM 180 CD GLN A 42 11.505 -4.957 -5.564 1.00 0.00 C ATOM 181 OE1 GLN A 42 11.803 -6.127 -5.767 1.00 0.00 O ATOM 182 NE2 GLN A 42 12.290 -4.186 -4.843 1.00 0.00 N ATOM 0 H GLN A 42 12.854 -3.891 -7.629 1.00 0.00 H new ATOM 0 HA GLN A 42 10.644 -5.376 -8.539 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.037 -2.687 -7.219 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.442 -3.186 -7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.800 -3.695 -5.364 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.512 -5.153 -6.293 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.036 -3.212 -4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.153 -4.562 -4.449 1.00 0.00 H new ATOM 191 N TYR A 43 11.367 -2.700 -10.358 1.00 0.00 N ATOM 192 CA TYR A 43 11.153 -2.061 -11.666 1.00 0.00 C ATOM 193 C TYR A 43 11.593 -2.943 -12.833 1.00 0.00 C ATOM 194 O TYR A 43 10.919 -3.060 -13.849 1.00 0.00 O ATOM 195 CB TYR A 43 11.972 -0.779 -11.728 1.00 0.00 C ATOM 196 CG TYR A 43 11.404 0.252 -12.683 1.00 0.00 C ATOM 197 CD1 TYR A 43 11.737 0.226 -14.054 1.00 0.00 C ATOM 198 CD2 TYR A 43 10.520 1.231 -12.203 1.00 0.00 C ATOM 199 CE1 TYR A 43 11.198 1.188 -14.929 1.00 0.00 C ATOM 200 CE2 TYR A 43 10.005 2.204 -13.075 1.00 0.00 C ATOM 201 CZ TYR A 43 10.338 2.182 -14.439 1.00 0.00 C ATOM 202 OH TYR A 43 9.829 3.120 -15.285 1.00 0.00 O ATOM 0 H TYR A 43 12.099 -2.257 -9.802 1.00 0.00 H new ATOM 0 HA TYR A 43 10.083 -1.874 -11.759 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.031 -0.345 -10.730 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.991 -1.022 -12.031 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.406 -0.533 -14.432 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.235 1.236 -11.161 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.447 1.161 -15.980 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.349 2.973 -12.694 1.00 0.00 H new ATOM 0 HH TYR A 43 9.251 3.733 -14.784 1.00 0.00 H new ATOM 212 N GLN A 44 12.750 -3.571 -12.672 1.00 0.00 N ATOM 213 CA GLN A 44 13.353 -4.463 -13.668 1.00 0.00 C ATOM 214 C GLN A 44 12.514 -5.723 -13.902 1.00 0.00 C ATOM 215 O GLN A 44 12.399 -6.162 -15.042 1.00 0.00 O ATOM 216 CB GLN A 44 14.802 -4.830 -13.308 1.00 0.00 C ATOM 217 CG GLN A 44 15.859 -3.905 -13.943 1.00 0.00 C ATOM 218 CD GLN A 44 15.808 -2.447 -13.519 1.00 0.00 C ATOM 219 OE1 GLN A 44 16.644 -1.956 -12.770 1.00 0.00 O ATOM 220 NE2 GLN A 44 14.878 -1.677 -14.043 1.00 0.00 N ATOM 0 H GLN A 44 13.313 -3.476 -11.827 1.00 0.00 H new ATOM 0 HA GLN A 44 13.373 -3.905 -14.604 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.914 -4.803 -12.224 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.995 -5.855 -13.623 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.847 -4.298 -13.704 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.750 -3.952 -15.027 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.178 -2.076 -14.668 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.858 -0.681 -13.824 1.00 0.00 H new ATOM 229 N LYS A 45 11.850 -6.269 -12.881 1.00 0.00 N ATOM 230 CA LYS A 45 10.833 -7.301 -13.049 1.00 0.00 C ATOM 231 C LYS A 45 9.596 -6.809 -13.834 1.00 0.00 C ATOM 232 O LYS A 45 9.108 -7.533 -14.705 1.00 0.00 O ATOM 233 CB LYS A 45 10.464 -7.856 -11.667 1.00 0.00 C ATOM 234 CG LYS A 45 11.219 -9.161 -11.360 1.00 0.00 C ATOM 235 CD LYS A 45 10.740 -9.798 -10.047 1.00 0.00 C ATOM 236 CE LYS A 45 11.425 -11.146 -9.793 1.00 0.00 C ATOM 237 NZ LYS A 45 10.914 -11.803 -8.567 1.00 0.00 N ATOM 0 H LYS A 45 12.006 -6.003 -11.909 1.00 0.00 H new ATOM 0 HA LYS A 45 11.247 -8.102 -13.661 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.694 -7.114 -10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.390 -8.037 -11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.077 -9.865 -12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.288 -8.957 -11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.946 -9.122 -9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.660 -9.939 -10.083 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.266 -11.801 -10.649 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.501 -10.995 -9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.159 -12.814 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.344 -11.359 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.880 -11.698 -8.522 1.00 0.00 H new ATOM 251 N LEU A 46 9.122 -5.572 -13.618 1.00 0.00 N ATOM 252 CA LEU A 46 8.085 -4.971 -14.464 1.00 0.00 C ATOM 253 C LEU A 46 8.556 -4.764 -15.910 1.00 0.00 C ATOM 254 O LEU A 46 7.824 -5.071 -16.848 1.00 0.00 O ATOM 255 CB LEU A 46 7.642 -3.652 -13.827 1.00 0.00 C ATOM 256 CG LEU A 46 6.513 -3.755 -12.798 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.143 -3.759 -13.478 1.00 0.00 C ATOM 258 CD2 LEU A 46 6.564 -4.940 -11.847 1.00 0.00 C ATOM 0 H LEU A 46 9.443 -4.968 -12.861 1.00 0.00 H new ATOM 0 HA LEU A 46 7.240 -5.656 -14.523 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.506 -3.195 -13.345 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.324 -2.976 -14.621 1.00 0.00 H new ATOM 0 HG LEU A 46 6.668 -2.866 -12.187 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.362 -3.833 -12.722 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.015 -2.836 -14.043 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.075 -4.611 -14.154 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.711 -4.899 -11.169 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.529 -5.867 -12.419 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.488 -4.904 -11.270 1.00 0.00 H new ATOM 270 N GLU A 47 9.798 -4.317 -16.102 1.00 0.00 N ATOM 271 CA GLU A 47 10.449 -4.190 -17.419 1.00 0.00 C ATOM 272 C GLU A 47 10.600 -5.530 -18.134 1.00 0.00 C ATOM 273 O GLU A 47 10.383 -5.611 -19.339 1.00 0.00 O ATOM 274 CB GLU A 47 11.812 -3.504 -17.274 1.00 0.00 C ATOM 275 CG GLU A 47 12.418 -3.057 -18.600 1.00 0.00 C ATOM 276 CD GLU A 47 13.807 -2.488 -18.350 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.782 -3.271 -18.387 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.919 -1.265 -18.113 1.00 0.00 O ATOM 0 H GLU A 47 10.399 -4.025 -15.331 1.00 0.00 H new ATOM 0 HA GLU A 47 9.797 -3.574 -18.038 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.705 -2.636 -16.623 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.503 -4.188 -16.781 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.476 -3.899 -19.289 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.783 -2.305 -19.068 1.00 0.00 H new ATOM 285 N LYS A 48 10.894 -6.602 -17.401 1.00 0.00 N ATOM 286 CA LYS A 48 11.007 -7.949 -17.957 1.00 0.00 C ATOM 287 C LYS A 48 9.662 -8.473 -18.491 1.00 0.00 C ATOM 288 O LYS A 48 9.619 -9.108 -19.546 1.00 0.00 O ATOM 289 CB LYS A 48 11.607 -8.920 -16.917 1.00 0.00 C ATOM 290 CG LYS A 48 12.623 -9.902 -17.531 1.00 0.00 C ATOM 291 CD LYS A 48 14.075 -9.378 -17.547 1.00 0.00 C ATOM 292 CE LYS A 48 14.268 -8.072 -18.331 1.00 0.00 C ATOM 293 NZ LYS A 48 15.683 -7.639 -18.354 1.00 0.00 N ATOM 0 H LYS A 48 11.062 -6.560 -16.396 1.00 0.00 H new ATOM 0 HA LYS A 48 11.685 -7.892 -18.809 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.095 -8.345 -16.130 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.802 -9.485 -16.447 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.592 -10.837 -16.972 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.319 -10.131 -18.553 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.404 -9.223 -16.519 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.720 -10.144 -17.976 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.915 -8.208 -19.353 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.657 -7.288 -17.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.766 -6.754 -18.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.014 -7.484 -17.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.264 -8.375 -18.804 1.00 0.00 H new ATOM 307 N MET A 49 8.553 -8.155 -17.814 1.00 0.00 N ATOM 308 CA MET A 49 7.208 -8.434 -18.289 1.00 0.00 C ATOM 309 C MET A 49 6.810 -7.510 -19.450 1.00 0.00 C ATOM 310 O MET A 49 6.283 -7.965 -20.465 1.00 0.00 O ATOM 311 CB MET A 49 6.264 -8.199 -17.119 1.00 0.00 C ATOM 312 CG MET A 49 6.255 -9.324 -16.083 1.00 0.00 C ATOM 313 SD MET A 49 4.863 -9.224 -14.922 1.00 0.00 S ATOM 314 CE MET A 49 5.107 -7.553 -14.274 1.00 0.00 C ATOM 0 H MET A 49 8.573 -7.689 -16.907 1.00 0.00 H new ATOM 0 HA MET A 49 7.158 -9.459 -18.657 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.541 -7.268 -16.625 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.253 -8.067 -17.504 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.219 -10.283 -16.600 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.189 -9.299 -15.522 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.363 -7.349 -13.504 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.106 -7.471 -13.845 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.999 -6.830 -15.083 1.00 0.00 H new ATOM 324 N ALA A 50 7.114 -6.215 -19.335 1.00 0.00 N ATOM 325 CA ALA A 50 6.832 -5.220 -20.359 1.00 0.00 C ATOM 326 C ALA A 50 7.531 -5.521 -21.697 1.00 0.00 C ATOM 327 O ALA A 50 6.901 -5.448 -22.748 1.00 0.00 O ATOM 328 CB ALA A 50 7.246 -3.860 -19.806 1.00 0.00 C ATOM 0 H ALA A 50 7.571 -5.827 -18.510 1.00 0.00 H new ATOM 0 HA ALA A 50 5.766 -5.234 -20.587 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.048 -3.089 -20.550 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.676 -3.646 -18.902 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.310 -3.872 -19.570 1.00 0.00 H new ATOM 334 N ASN A 51 8.802 -5.924 -21.683 1.00 0.00 N ATOM 335 CA ASN A 51 9.566 -6.283 -22.882 1.00 0.00 C ATOM 336 C ASN A 51 8.985 -7.503 -23.642 1.00 0.00 C ATOM 337 O ASN A 51 9.090 -7.583 -24.866 1.00 0.00 O ATOM 338 CB ASN A 51 11.021 -6.512 -22.462 1.00 0.00 C ATOM 339 CG ASN A 51 11.927 -6.834 -23.641 1.00 0.00 C ATOM 340 OD1 ASN A 51 12.099 -6.041 -24.559 1.00 0.00 O ATOM 341 ND2 ASN A 51 12.536 -8.004 -23.655 1.00 0.00 N ATOM 0 H ASN A 51 9.341 -6.012 -20.822 1.00 0.00 H new ATOM 0 HA ASN A 51 9.502 -5.462 -23.596 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.393 -5.622 -21.955 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.063 -7.330 -21.742 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.151 -8.250 -24.431 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.392 -8.663 -22.890 1.00 0.00 H new ATOM 348 N GLU A 52 8.312 -8.420 -22.931 1.00 0.00 N ATOM 349 CA GLU A 52 7.574 -9.571 -23.490 1.00 0.00 C ATOM 350 C GLU A 52 6.302 -9.167 -24.255 1.00 0.00 C ATOM 351 O GLU A 52 5.827 -9.913 -25.111 1.00 0.00 O ATOM 352 CB GLU A 52 7.233 -10.582 -22.381 1.00 0.00 C ATOM 353 CG GLU A 52 6.994 -11.993 -22.917 1.00 0.00 C ATOM 354 CD GLU A 52 6.802 -12.964 -21.760 1.00 0.00 C ATOM 355 OE1 GLU A 52 5.650 -13.117 -21.295 1.00 0.00 O ATOM 356 OE2 GLU A 52 7.800 -13.588 -21.334 1.00 0.00 O ATOM 0 H GLU A 52 8.263 -8.382 -21.913 1.00 0.00 H new ATOM 0 HA GLU A 52 8.238 -10.037 -24.218 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.047 -10.607 -21.656 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.343 -10.245 -21.850 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.114 -12.002 -23.560 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.840 -12.306 -23.529 1.00 0.00 H new ATOM 363 N GLU A 53 5.801 -7.951 -23.999 1.00 0.00 N ATOM 364 CA GLU A 53 4.680 -7.285 -24.708 1.00 0.00 C ATOM 365 C GLU A 53 5.142 -6.087 -25.562 1.00 0.00 C ATOM 366 O GLU A 53 4.338 -5.450 -26.243 1.00 0.00 O ATOM 367 CB GLU A 53 3.592 -6.882 -23.697 1.00 0.00 C ATOM 368 CG GLU A 53 2.197 -6.817 -24.318 1.00 0.00 C ATOM 369 CD GLU A 53 1.147 -6.601 -23.237 1.00 0.00 C ATOM 370 OE1 GLU A 53 0.848 -5.427 -22.925 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.607 -7.606 -22.723 1.00 0.00 O ATOM 0 H GLU A 53 6.181 -7.368 -23.254 1.00 0.00 H new ATOM 0 HA GLU A 53 4.258 -8.001 -25.413 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.585 -7.597 -22.874 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.841 -5.910 -23.272 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.153 -6.006 -25.045 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.988 -7.741 -24.858 1.00 0.00 H new ATOM 378 N GLU A 54 6.455 -5.824 -25.561 1.00 0.00 N ATOM 379 CA GLU A 54 7.214 -4.875 -26.410 1.00 0.00 C ATOM 380 C GLU A 54 7.213 -3.431 -25.879 1.00 0.00 C ATOM 381 O GLU A 54 6.980 -2.470 -26.615 1.00 0.00 O ATOM 382 CB GLU A 54 6.843 -5.001 -27.902 1.00 0.00 C ATOM 383 CG GLU A 54 8.014 -4.623 -28.806 1.00 0.00 C ATOM 384 CD GLU A 54 7.588 -4.682 -30.266 1.00 0.00 C ATOM 385 OE1 GLU A 54 7.687 -5.773 -30.873 1.00 0.00 O ATOM 386 OE2 GLU A 54 7.169 -3.636 -30.811 1.00 0.00 O ATOM 0 H GLU A 54 7.075 -6.308 -24.912 1.00 0.00 H new ATOM 0 HA GLU A 54 8.259 -5.176 -26.342 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.533 -6.024 -28.115 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.991 -4.358 -28.121 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.363 -3.620 -28.561 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.849 -5.302 -28.635 1.00 0.00 H new ATOM 393 N GLU A 55 7.490 -3.307 -24.573 1.00 0.00 N ATOM 394 CA GLU A 55 7.648 -2.090 -23.744 1.00 0.00 C ATOM 395 C GLU A 55 6.325 -1.418 -23.364 1.00 0.00 C ATOM 396 O GLU A 55 5.530 -1.016 -24.213 1.00 0.00 O ATOM 397 CB GLU A 55 8.615 -1.060 -24.347 1.00 0.00 C ATOM 398 CG GLU A 55 10.036 -1.577 -24.581 1.00 0.00 C ATOM 399 CD GLU A 55 10.795 -1.699 -23.265 1.00 0.00 C ATOM 400 OE1 GLU A 55 10.723 -2.770 -22.627 1.00 0.00 O ATOM 401 OE2 GLU A 55 11.471 -0.716 -22.884 1.00 0.00 O ATOM 0 H GLU A 55 7.624 -4.144 -24.005 1.00 0.00 H new ATOM 0 HA GLU A 55 8.094 -2.466 -22.823 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.208 -0.713 -25.297 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.662 -0.195 -23.685 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.997 -2.548 -25.074 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.568 -0.901 -25.250 1.00 0.00 H new ATOM 408 N SER A 56 6.090 -1.321 -22.054 1.00 0.00 N ATOM 409 CA SER A 56 4.822 -0.921 -21.433 1.00 0.00 C ATOM 410 C SER A 56 5.029 -0.532 -19.948 1.00 0.00 C ATOM 411 O SER A 56 4.084 -0.520 -19.155 1.00 0.00 O ATOM 412 CB SER A 56 3.838 -2.102 -21.573 1.00 0.00 C ATOM 413 OG SER A 56 2.520 -1.773 -21.173 1.00 0.00 O ATOM 0 H SER A 56 6.811 -1.529 -21.363 1.00 0.00 H new ATOM 0 HA SER A 56 4.418 -0.040 -21.931 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.825 -2.436 -22.611 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.196 -2.939 -20.974 1.00 0.00 H new ATOM 0 HG SER A 56 1.940 -2.555 -21.284 1.00 0.00 H new ATOM 419 N VAL A 57 6.276 -0.278 -19.520 1.00 0.00 N ATOM 420 CA VAL A 57 6.589 0.033 -18.110 1.00 0.00 C ATOM 421 C VAL A 57 5.854 1.300 -17.647 1.00 0.00 C ATOM 422 O VAL A 57 5.820 2.318 -18.341 1.00 0.00 O ATOM 423 CB VAL A 57 8.098 0.185 -17.816 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.761 -1.187 -17.731 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.872 1.005 -18.854 1.00 0.00 C ATOM 0 H VAL A 57 7.091 -0.281 -20.133 1.00 0.00 H new ATOM 0 HA VAL A 57 6.241 -0.833 -17.548 1.00 0.00 H new ATOM 0 HB VAL A 57 8.142 0.724 -16.870 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.824 -1.065 -17.523 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.299 -1.765 -16.931 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.634 -1.712 -18.678 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.922 1.059 -18.566 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.788 0.528 -19.831 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.458 2.012 -18.905 1.00 0.00 H new ATOM 435 N GLY A 58 5.205 1.209 -16.489 1.00 0.00 N ATOM 436 CA GLY A 58 4.253 2.198 -15.966 1.00 0.00 C ATOM 437 C GLY A 58 2.822 1.725 -16.213 1.00 0.00 C ATOM 438 O GLY A 58 2.064 1.457 -15.286 1.00 0.00 O ATOM 0 H GLY A 58 5.329 0.415 -15.861 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.417 2.344 -14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.415 3.162 -16.449 1.00 0.00 H new ATOM 442 N SER A 59 2.482 1.486 -17.471 1.00 0.00 N ATOM 443 CA SER A 59 1.170 0.976 -17.862 1.00 0.00 C ATOM 444 C SER A 59 0.945 -0.464 -17.377 1.00 0.00 C ATOM 445 O SER A 59 -0.154 -0.802 -16.943 1.00 0.00 O ATOM 446 CB SER A 59 1.047 1.044 -19.384 1.00 0.00 C ATOM 447 OG SER A 59 1.210 2.368 -19.872 1.00 0.00 O ATOM 0 H SER A 59 3.112 1.641 -18.258 1.00 0.00 H new ATOM 0 HA SER A 59 0.406 1.595 -17.392 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.796 0.395 -19.838 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.071 0.664 -19.686 1.00 0.00 H new ATOM 0 HG SER A 59 1.126 2.369 -20.848 1.00 0.00 H new ATOM 453 N TYR A 60 1.992 -1.297 -17.364 1.00 0.00 N ATOM 454 CA TYR A 60 1.943 -2.668 -16.835 1.00 0.00 C ATOM 455 C TYR A 60 1.551 -2.716 -15.348 1.00 0.00 C ATOM 456 O TYR A 60 0.770 -3.573 -14.939 1.00 0.00 O ATOM 457 CB TYR A 60 3.293 -3.370 -17.053 1.00 0.00 C ATOM 458 CG TYR A 60 3.147 -4.838 -17.415 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.786 -5.782 -16.433 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.321 -5.255 -18.749 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.587 -7.130 -16.789 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.132 -6.605 -19.100 1.00 0.00 C ATOM 463 CZ TYR A 60 2.755 -7.539 -18.122 1.00 0.00 C ATOM 464 OH TYR A 60 2.574 -8.845 -18.470 1.00 0.00 O ATOM 0 H TYR A 60 2.910 -1.036 -17.725 1.00 0.00 H new ATOM 0 HA TYR A 60 1.164 -3.195 -17.386 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.838 -2.858 -17.846 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.892 -3.283 -16.147 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.662 -5.471 -15.406 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.600 -4.536 -19.505 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.305 -7.850 -16.036 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.277 -6.922 -20.122 1.00 0.00 H new ATOM 0 HH TYR A 60 2.729 -8.952 -19.432 1.00 0.00 H new ATOM 474 N ILE A 61 2.031 -1.745 -14.561 1.00 0.00 N ATOM 475 CA ILE A 61 1.643 -1.567 -13.144 1.00 0.00 C ATOM 476 C ILE A 61 0.125 -1.396 -13.049 1.00 0.00 C ATOM 477 O ILE A 61 -0.556 -2.183 -12.386 1.00 0.00 O ATOM 478 CB ILE A 61 2.393 -0.375 -12.482 1.00 0.00 C ATOM 479 CG1 ILE A 61 3.876 -0.678 -12.182 1.00 0.00 C ATOM 480 CG2 ILE A 61 1.762 0.129 -11.181 1.00 0.00 C ATOM 481 CD1 ILE A 61 4.762 -0.131 -13.296 1.00 0.00 C ATOM 0 H ILE A 61 2.705 -1.052 -14.886 1.00 0.00 H new ATOM 0 HA ILE A 61 1.935 -2.459 -12.590 1.00 0.00 H new ATOM 0 HB ILE A 61 2.311 0.402 -13.242 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.160 -0.231 -11.229 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.023 -1.754 -12.086 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.349 0.960 -10.790 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.744 0.465 -11.377 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.743 -0.679 -10.449 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.806 -0.351 -13.072 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.487 -0.598 -14.242 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.627 0.948 -13.371 1.00 0.00 H new ATOM 493 N LYS A 62 -0.418 -0.416 -13.775 1.00 0.00 N ATOM 494 CA LYS A 62 -1.851 -0.172 -13.784 1.00 0.00 C ATOM 495 C LYS A 62 -2.639 -1.393 -14.299 1.00 0.00 C ATOM 496 O LYS A 62 -3.576 -1.846 -13.652 1.00 0.00 O ATOM 497 CB LYS A 62 -2.178 1.095 -14.602 1.00 0.00 C ATOM 498 CG LYS A 62 -3.494 1.737 -14.128 1.00 0.00 C ATOM 499 CD LYS A 62 -4.139 2.715 -15.123 1.00 0.00 C ATOM 500 CE LYS A 62 -3.212 3.862 -15.543 1.00 0.00 C ATOM 501 NZ LYS A 62 -3.918 4.863 -16.375 1.00 0.00 N ATOM 0 H LYS A 62 0.120 0.220 -14.364 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.166 -0.005 -12.754 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.364 1.814 -14.506 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.255 0.839 -15.659 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.208 0.944 -13.908 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.306 2.265 -13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.449 2.165 -16.012 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.041 3.133 -14.676 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.809 4.347 -14.654 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.365 3.460 -16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.261 5.255 -17.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.716 4.408 -16.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.273 5.630 -15.769 1.00 0.00 H new ATOM 515 N ARG A 63 -2.222 -1.994 -15.417 1.00 0.00 N ATOM 516 CA ARG A 63 -2.850 -3.196 -15.989 1.00 0.00 C ATOM 517 C ARG A 63 -2.937 -4.353 -14.982 1.00 0.00 C ATOM 518 O ARG A 63 -3.976 -5.000 -14.887 1.00 0.00 O ATOM 519 CB ARG A 63 -2.096 -3.654 -17.256 1.00 0.00 C ATOM 520 CG ARG A 63 -2.750 -3.226 -18.579 1.00 0.00 C ATOM 521 CD ARG A 63 -2.843 -1.708 -18.782 1.00 0.00 C ATOM 522 NE ARG A 63 -3.333 -1.382 -20.136 1.00 0.00 N ATOM 523 CZ ARG A 63 -4.585 -1.361 -20.563 1.00 0.00 C ATOM 524 NH1 ARG A 63 -5.600 -1.622 -19.784 1.00 0.00 N ATOM 525 NH2 ARG A 63 -4.845 -1.076 -21.810 1.00 0.00 N ATOM 0 H ARG A 63 -1.427 -1.657 -15.961 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.870 -2.919 -16.255 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.081 -3.257 -17.222 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.014 -4.741 -17.241 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.184 -3.656 -19.405 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.754 -3.648 -18.627 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.512 -1.279 -18.036 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.863 -1.257 -18.628 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.620 -1.144 -20.826 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.444 -1.854 -18.803 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.549 -1.594 -20.156 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.083 -0.869 -22.456 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.810 -1.060 -22.139 1.00 0.00 H new ATOM 539 N TYR A 64 -1.894 -4.593 -14.183 1.00 0.00 N ATOM 540 CA TYR A 64 -1.862 -5.695 -13.214 1.00 0.00 C ATOM 541 C TYR A 64 -2.844 -5.480 -12.054 1.00 0.00 C ATOM 542 O TYR A 64 -3.568 -6.380 -11.628 1.00 0.00 O ATOM 543 CB TYR A 64 -0.441 -5.838 -12.663 1.00 0.00 C ATOM 544 CG TYR A 64 -0.106 -7.259 -12.246 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.592 -7.774 -11.028 1.00 0.00 C ATOM 546 CD2 TYR A 64 0.640 -8.087 -13.106 1.00 0.00 C ATOM 547 CE1 TYR A 64 -0.352 -9.117 -10.688 1.00 0.00 C ATOM 548 CE2 TYR A 64 0.892 -9.427 -12.755 1.00 0.00 C ATOM 549 CZ TYR A 64 0.389 -9.944 -11.549 1.00 0.00 C ATOM 550 OH TYR A 64 0.599 -11.247 -11.214 1.00 0.00 O ATOM 0 H TYR A 64 -1.045 -4.028 -14.189 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.166 -6.604 -13.733 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.271 -5.510 -13.420 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.322 -5.176 -11.805 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.149 -7.138 -10.356 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.020 -7.693 -14.037 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.739 -9.515 -9.761 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.472 -10.058 -13.413 1.00 0.00 H new ATOM 0 HH TYR A 64 1.128 -11.684 -11.914 1.00 0.00 H new ATOM 560 N ILE A 65 -2.900 -4.239 -11.586 1.00 0.00 N ATOM 561 CA ILE A 65 -3.815 -3.768 -10.539 1.00 0.00 C ATOM 562 C ILE A 65 -5.264 -3.817 -11.038 1.00 0.00 C ATOM 563 O ILE A 65 -6.147 -4.289 -10.328 1.00 0.00 O ATOM 564 CB ILE A 65 -3.392 -2.355 -10.080 1.00 0.00 C ATOM 565 CG1 ILE A 65 -2.075 -2.456 -9.277 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.479 -1.658 -9.242 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.387 -1.106 -9.062 1.00 0.00 C ATOM 0 H ILE A 65 -2.289 -3.501 -11.935 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.759 -4.425 -9.671 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.243 -1.743 -10.970 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.284 -2.907 -8.307 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.391 -3.125 -9.799 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.131 -0.669 -8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.388 -1.560 -9.835 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.688 -2.251 -8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.470 -1.252 -8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.147 -0.662 -10.028 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.054 -0.441 -8.513 1.00 0.00 H new ATOM 579 N LEU A 66 -5.509 -3.415 -12.285 1.00 0.00 N ATOM 580 CA LEU A 66 -6.844 -3.438 -12.895 1.00 0.00 C ATOM 581 C LEU A 66 -7.300 -4.886 -13.150 1.00 0.00 C ATOM 582 O LEU A 66 -8.463 -5.228 -12.930 1.00 0.00 O ATOM 583 CB LEU A 66 -6.805 -2.609 -14.190 1.00 0.00 C ATOM 584 CG LEU A 66 -7.012 -1.085 -14.027 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.469 -0.438 -12.748 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.390 -0.387 -15.237 1.00 0.00 C ATOM 0 H LEU A 66 -4.783 -3.061 -12.907 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.575 -2.996 -12.217 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.843 -2.775 -14.675 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.572 -2.990 -14.865 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.092 -0.956 -13.952 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.681 0.631 -12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.947 -0.891 -11.880 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.392 -0.593 -12.691 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.524 0.691 -15.144 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.326 -0.618 -15.283 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.876 -0.736 -16.148 1.00 0.00 H new ATOM 598 N LYS A 67 -6.363 -5.759 -13.522 1.00 0.00 N ATOM 599 CA LYS A 67 -6.585 -7.198 -13.650 1.00 0.00 C ATOM 600 C LYS A 67 -6.959 -7.845 -12.302 1.00 0.00 C ATOM 601 O LYS A 67 -7.886 -8.653 -12.230 1.00 0.00 O ATOM 602 CB LYS A 67 -5.326 -7.829 -14.262 1.00 0.00 C ATOM 603 CG LYS A 67 -5.523 -9.313 -14.607 1.00 0.00 C ATOM 604 CD LYS A 67 -4.357 -9.898 -15.420 1.00 0.00 C ATOM 605 CE LYS A 67 -3.033 -9.895 -14.641 1.00 0.00 C ATOM 606 NZ LYS A 67 -1.941 -10.529 -15.410 1.00 0.00 N ATOM 0 H LYS A 67 -5.409 -5.478 -13.747 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.436 -7.377 -14.308 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.051 -7.283 -15.164 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.496 -7.728 -13.563 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.638 -9.883 -13.685 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.448 -9.430 -15.172 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.600 -10.920 -15.713 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.235 -9.324 -16.338 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.757 -8.869 -14.397 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.166 -10.423 -13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.065 -10.507 -14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.193 -11.516 -15.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.797 -10.010 -16.300 1.00 0.00 H new ATOM 620 N ALA A 68 -6.286 -7.443 -11.222 1.00 0.00 N ATOM 621 CA ALA A 68 -6.598 -7.873 -9.857 1.00 0.00 C ATOM 622 C ALA A 68 -7.954 -7.342 -9.350 1.00 0.00 C ATOM 623 O ALA A 68 -8.712 -8.075 -8.717 1.00 0.00 O ATOM 624 CB ALA A 68 -5.466 -7.425 -8.933 1.00 0.00 C ATOM 0 H ALA A 68 -5.496 -6.799 -11.272 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.685 -8.960 -9.859 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.684 -7.738 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.530 -7.877 -9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.376 -6.339 -8.968 1.00 0.00 H new ATOM 630 N LEU A 69 -8.302 -6.090 -9.666 1.00 0.00 N ATOM 631 CA LEU A 69 -9.487 -5.393 -9.152 1.00 0.00 C ATOM 632 C LEU A 69 -10.809 -6.043 -9.587 1.00 0.00 C ATOM 633 O LEU A 69 -11.814 -5.956 -8.882 1.00 0.00 O ATOM 634 CB LEU A 69 -9.430 -3.914 -9.591 1.00 0.00 C ATOM 635 CG LEU A 69 -9.333 -2.919 -8.426 1.00 0.00 C ATOM 636 CD1 LEU A 69 -7.990 -2.988 -7.702 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.497 -1.494 -8.947 1.00 0.00 C ATOM 0 H LEU A 69 -7.751 -5.517 -10.305 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.468 -5.464 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.571 -3.774 -10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.320 -3.685 -10.177 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.125 -3.188 -7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.978 -2.263 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.846 -3.990 -7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.187 -2.760 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.427 -0.792 -8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.711 -1.278 -9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.470 -1.392 -9.427 1.00 0.00 H new ATOM 649 N ARG A 70 -10.780 -6.741 -10.722 1.00 0.00 N ATOM 650 CA ARG A 70 -11.883 -7.564 -11.214 1.00 0.00 C ATOM 651 C ARG A 70 -12.307 -8.682 -10.234 1.00 0.00 C ATOM 652 O ARG A 70 -13.478 -9.069 -10.222 1.00 0.00 O ATOM 653 CB ARG A 70 -11.519 -8.170 -12.580 1.00 0.00 C ATOM 654 CG ARG A 70 -11.519 -7.126 -13.708 1.00 0.00 C ATOM 655 CD ARG A 70 -11.073 -7.757 -15.033 1.00 0.00 C ATOM 656 NE ARG A 70 -11.238 -6.817 -16.159 1.00 0.00 N ATOM 657 CZ ARG A 70 -12.299 -6.684 -16.939 1.00 0.00 C ATOM 658 NH1 ARG A 70 -13.378 -7.405 -16.790 1.00 0.00 N ATOM 659 NH2 ARG A 70 -12.300 -5.803 -17.902 1.00 0.00 N ATOM 0 H ARG A 70 -9.968 -6.750 -11.340 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.742 -6.900 -11.313 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.534 -8.632 -12.518 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -12.228 -8.962 -12.823 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.518 -6.704 -13.819 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.852 -6.304 -13.449 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.029 -8.060 -14.960 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.654 -8.659 -15.222 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.448 -6.203 -16.358 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.426 -8.104 -16.049 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.173 -7.269 -17.415 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.481 -5.214 -18.055 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.119 -5.703 -18.501 1.00 0.00 H new ATOM 673 N LYS A 71 -11.377 -9.210 -9.422 1.00 0.00 N ATOM 674 CA LYS A 71 -11.618 -10.355 -8.525 1.00 0.00 C ATOM 675 C LYS A 71 -10.592 -10.475 -7.360 1.00 0.00 C ATOM 676 O LYS A 71 -10.005 -11.536 -7.133 1.00 0.00 O ATOM 677 CB LYS A 71 -11.789 -11.649 -9.358 1.00 0.00 C ATOM 678 CG LYS A 71 -13.053 -12.452 -8.993 1.00 0.00 C ATOM 679 CD LYS A 71 -13.083 -12.960 -7.540 1.00 0.00 C ATOM 680 CE LYS A 71 -14.414 -13.678 -7.274 1.00 0.00 C ATOM 681 NZ LYS A 71 -14.512 -14.145 -5.878 1.00 0.00 N ATOM 0 H LYS A 71 -10.424 -8.850 -9.368 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.556 -10.176 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.826 -11.389 -10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.913 -12.282 -9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.929 -11.826 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.134 -13.306 -9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.250 -13.640 -7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.964 -12.125 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.242 -13.003 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.511 -14.528 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.477 -14.487 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.835 -14.919 -5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.294 -13.359 -5.233 1.00 0.00 H new ATOM 695 N ILE A 72 -10.360 -9.386 -6.611 1.00 0.00 N ATOM 696 CA ILE A 72 -9.415 -9.329 -5.469 1.00 0.00 C ATOM 697 C ILE A 72 -9.590 -10.497 -4.460 1.00 0.00 C ATOM 698 O ILE A 72 -8.600 -11.056 -3.975 1.00 0.00 O ATOM 699 CB ILE A 72 -9.545 -7.966 -4.739 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.390 -6.778 -5.717 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.526 -7.841 -3.589 1.00 0.00 C ATOM 702 CD1 ILE A 72 -9.456 -5.393 -5.062 1.00 0.00 C ATOM 0 H ILE A 72 -10.831 -8.497 -6.781 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.415 -9.435 -5.889 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.549 -7.931 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.436 -6.874 -6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.172 -6.844 -6.474 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.646 -6.874 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.696 -8.637 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.515 -7.923 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.338 -4.624 -5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.420 -5.269 -4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.657 -5.300 -4.326 1.00 0.00 H new ATOM 714 N GLU A 73 -10.843 -10.887 -4.174 1.00 0.00 N ATOM 715 CA GLU A 73 -11.241 -11.941 -3.214 1.00 0.00 C ATOM 716 C GLU A 73 -12.434 -12.740 -3.744 1.00 0.00 C ATOM 717 O GLU A 73 -13.430 -12.123 -4.178 1.00 0.00 O ATOM 718 CB GLU A 73 -11.565 -11.307 -1.851 1.00 0.00 C ATOM 719 CG GLU A 73 -11.765 -12.312 -0.712 1.00 0.00 C ATOM 720 CD GLU A 73 -10.464 -13.005 -0.325 1.00 0.00 C ATOM 721 OE1 GLU A 73 -9.611 -12.350 0.316 1.00 0.00 O ATOM 722 OE2 GLU A 73 -10.314 -14.213 -0.618 1.00 0.00 O ATOM 0 H GLU A 73 -11.650 -10.457 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.410 -12.635 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.758 -10.627 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.469 -10.706 -1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.174 -11.797 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.498 -13.060 -1.014 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 17.033 5.249 -7.029 1.00 0.00 N ATOM 731 CA THR B 31 15.578 5.026 -6.942 1.00 0.00 C ATOM 732 C THR B 31 14.971 5.065 -8.355 1.00 0.00 C ATOM 733 O THR B 31 15.501 5.740 -9.243 1.00 0.00 O ATOM 734 CB THR B 31 14.888 6.141 -6.110 1.00 0.00 C ATOM 735 OG1 THR B 31 15.707 6.643 -5.068 1.00 0.00 O ATOM 736 CG2 THR B 31 13.583 5.686 -5.455 1.00 0.00 C ATOM 0 HA THR B 31 15.418 4.059 -6.465 1.00 0.00 H new ATOM 0 HB THR B 31 14.689 6.918 -6.848 1.00 0.00 H new ATOM 0 HG1 THR B 31 16.637 6.380 -5.228 1.00 0.00 H new ATOM 0 HG21 THR B 31 13.153 6.512 -4.889 1.00 0.00 H new ATOM 0 HG22 THR B 31 12.880 5.369 -6.226 1.00 0.00 H new ATOM 0 HG23 THR B 31 13.785 4.852 -4.783 1.00 0.00 H new ATOM 744 N ARG B 32 13.851 4.379 -8.576 1.00 0.00 N ATOM 745 CA ARG B 32 13.034 4.482 -9.794 1.00 0.00 C ATOM 746 C ARG B 32 11.744 5.283 -9.531 1.00 0.00 C ATOM 747 O ARG B 32 11.420 5.596 -8.383 1.00 0.00 O ATOM 748 CB ARG B 32 12.711 3.071 -10.313 1.00 0.00 C ATOM 749 CG ARG B 32 13.941 2.194 -10.591 1.00 0.00 C ATOM 750 CD ARG B 32 14.836 2.735 -11.709 1.00 0.00 C ATOM 751 NE ARG B 32 15.855 1.736 -12.068 1.00 0.00 N ATOM 752 CZ ARG B 32 16.648 1.762 -13.127 1.00 0.00 C ATOM 753 NH1 ARG B 32 16.683 2.778 -13.945 1.00 0.00 N ATOM 754 NH2 ARG B 32 17.418 0.747 -13.400 1.00 0.00 N ATOM 0 H ARG B 32 13.473 3.718 -7.898 1.00 0.00 H new ATOM 0 HA ARG B 32 13.599 5.020 -10.555 1.00 0.00 H new ATOM 0 HB2 ARG B 32 12.079 2.566 -9.583 1.00 0.00 H new ATOM 0 HB3 ARG B 32 12.130 3.160 -11.231 1.00 0.00 H new ATOM 0 HG2 ARG B 32 14.528 2.105 -9.677 1.00 0.00 H new ATOM 0 HG3 ARG B 32 13.609 1.190 -10.856 1.00 0.00 H new ATOM 0 HD2 ARG B 32 14.232 2.980 -12.583 1.00 0.00 H new ATOM 0 HD3 ARG B 32 15.318 3.658 -11.386 1.00 0.00 H new ATOM 0 HE ARG B 32 15.961 0.942 -11.436 1.00 0.00 H new ATOM 0 HH11 ARG B 32 16.086 3.588 -13.778 1.00 0.00 H new ATOM 0 HH12 ARG B 32 17.307 2.762 -14.751 1.00 0.00 H new ATOM 0 HH21 ARG B 32 17.412 -0.075 -12.796 1.00 0.00 H new ATOM 0 HH22 ARG B 32 18.027 0.774 -14.218 1.00 0.00 H new ATOM 768 N ALA B 33 10.983 5.591 -10.582 1.00 0.00 N ATOM 769 CA ALA B 33 9.754 6.381 -10.511 1.00 0.00 C ATOM 770 C ALA B 33 8.631 5.763 -11.363 1.00 0.00 C ATOM 771 O ALA B 33 8.827 5.415 -12.529 1.00 0.00 O ATOM 772 CB ALA B 33 10.059 7.819 -10.942 1.00 0.00 C ATOM 0 H ALA B 33 11.210 5.290 -11.530 1.00 0.00 H new ATOM 0 HA ALA B 33 9.393 6.384 -9.482 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.148 8.415 -10.892 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.809 8.247 -10.277 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.437 7.820 -11.964 1.00 0.00 H new ATOM 778 N VAL B 34 7.445 5.657 -10.767 1.00 0.00 N ATOM 779 CA VAL B 34 6.211 5.111 -11.348 1.00 0.00 C ATOM 780 C VAL B 34 5.101 6.125 -11.140 1.00 0.00 C ATOM 781 O VAL B 34 4.545 6.251 -10.052 1.00 0.00 O ATOM 782 CB VAL B 34 5.837 3.727 -10.782 1.00 0.00 C ATOM 783 CG1 VAL B 34 4.496 3.222 -11.332 1.00 0.00 C ATOM 784 CG2 VAL B 34 6.896 2.688 -11.173 1.00 0.00 C ATOM 0 H VAL B 34 7.307 5.968 -9.806 1.00 0.00 H new ATOM 0 HA VAL B 34 6.370 4.943 -12.413 1.00 0.00 H new ATOM 0 HB VAL B 34 5.772 3.846 -9.701 1.00 0.00 H new ATOM 0 HG11 VAL B 34 4.273 2.244 -10.906 1.00 0.00 H new ATOM 0 HG12 VAL B 34 3.706 3.923 -11.064 1.00 0.00 H new ATOM 0 HG13 VAL B 34 4.556 3.140 -12.417 1.00 0.00 H new ATOM 0 HG21 VAL B 34 6.619 1.715 -10.767 1.00 0.00 H new ATOM 0 HG22 VAL B 34 6.958 2.623 -12.259 1.00 0.00 H new ATOM 0 HG23 VAL B 34 7.864 2.987 -10.771 1.00 0.00 H new ATOM 794 N SER B 35 4.838 6.883 -12.197 1.00 0.00 N ATOM 795 CA SER B 35 3.885 7.992 -12.218 1.00 0.00 C ATOM 796 C SER B 35 2.741 7.733 -13.201 1.00 0.00 C ATOM 797 O SER B 35 2.956 7.461 -14.388 1.00 0.00 O ATOM 798 CB SER B 35 4.593 9.311 -12.524 1.00 0.00 C ATOM 799 OG SER B 35 3.696 10.400 -12.374 1.00 0.00 O ATOM 0 H SER B 35 5.297 6.740 -13.096 1.00 0.00 H new ATOM 0 HA SER B 35 3.444 8.069 -11.224 1.00 0.00 H new ATOM 0 HB2 SER B 35 5.444 9.438 -11.855 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.986 9.293 -13.540 1.00 0.00 H new ATOM 0 HG SER B 35 4.163 11.238 -12.571 1.00 0.00 H new ATOM 805 N LEU B 36 1.520 7.756 -12.672 1.00 0.00 N ATOM 806 CA LEU B 36 0.301 7.246 -13.289 1.00 0.00 C ATOM 807 C LEU B 36 -0.915 8.130 -12.980 1.00 0.00 C ATOM 808 O LEU B 36 -0.871 9.036 -12.146 1.00 0.00 O ATOM 809 CB LEU B 36 0.067 5.803 -12.781 1.00 0.00 C ATOM 810 CG LEU B 36 1.050 4.760 -13.334 1.00 0.00 C ATOM 811 CD1 LEU B 36 0.813 3.421 -12.640 1.00 0.00 C ATOM 812 CD2 LEU B 36 0.863 4.573 -14.839 1.00 0.00 C ATOM 0 H LEU B 36 1.346 8.154 -11.749 1.00 0.00 H new ATOM 0 HA LEU B 36 0.423 7.254 -14.372 1.00 0.00 H new ATOM 0 HB2 LEU B 36 0.130 5.801 -11.693 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.947 5.501 -13.042 1.00 0.00 H new ATOM 0 HG LEU B 36 2.064 5.114 -13.146 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.510 2.680 -13.031 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.969 3.535 -11.567 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.209 3.091 -12.825 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.571 3.829 -15.204 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -0.154 4.235 -15.040 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.038 5.521 -15.348 1.00 0.00 H new ATOM 824 N TYR B 37 -2.015 7.818 -13.659 1.00 0.00 N ATOM 825 CA TYR B 37 -3.287 8.533 -13.623 1.00 0.00 C ATOM 826 C TYR B 37 -4.427 7.514 -13.541 1.00 0.00 C ATOM 827 O TYR B 37 -4.818 6.901 -14.540 1.00 0.00 O ATOM 828 CB TYR B 37 -3.381 9.445 -14.852 1.00 0.00 C ATOM 829 CG TYR B 37 -2.460 10.646 -14.758 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.900 11.808 -14.098 1.00 0.00 C ATOM 831 CD2 TYR B 37 -1.147 10.591 -15.271 1.00 0.00 C ATOM 832 CE1 TYR B 37 -2.046 12.915 -13.966 1.00 0.00 C ATOM 833 CE2 TYR B 37 -0.282 11.691 -15.113 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.734 12.856 -14.468 1.00 0.00 C ATOM 835 OH TYR B 37 0.105 13.921 -14.332 1.00 0.00 O ATOM 0 H TYR B 37 -2.044 7.013 -14.285 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.362 9.172 -12.743 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -3.134 8.871 -15.745 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -4.409 9.788 -14.968 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.899 11.849 -13.691 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.805 9.705 -15.785 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -2.397 13.812 -13.478 1.00 0.00 H new ATOM 0 HE2 TYR B 37 0.730 11.640 -15.488 1.00 0.00 H new ATOM 0 HH TYR B 37 0.972 13.708 -14.735 1.00 0.00 H new ATOM 845 N PHE B 38 -4.874 7.253 -12.318 1.00 0.00 N ATOM 846 CA PHE B 38 -6.006 6.395 -12.003 1.00 0.00 C ATOM 847 C PHE B 38 -7.336 7.130 -12.260 1.00 0.00 C ATOM 848 O PHE B 38 -7.358 8.336 -12.537 1.00 0.00 O ATOM 849 CB PHE B 38 -5.874 5.980 -10.525 1.00 0.00 C ATOM 850 CG PHE B 38 -5.107 4.684 -10.291 1.00 0.00 C ATOM 851 CD1 PHE B 38 -3.848 4.473 -10.887 1.00 0.00 C ATOM 852 CD2 PHE B 38 -5.679 3.651 -9.519 1.00 0.00 C ATOM 853 CE1 PHE B 38 -3.195 3.241 -10.733 1.00 0.00 C ATOM 854 CE2 PHE B 38 -5.026 2.409 -9.392 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.781 2.205 -9.997 1.00 0.00 C ATOM 0 H PHE B 38 -4.438 7.651 -11.486 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.007 5.511 -12.641 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.378 6.783 -9.980 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -6.873 5.876 -10.101 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -3.385 5.261 -11.463 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -6.624 3.813 -9.022 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -2.227 3.090 -11.188 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -5.487 1.613 -8.827 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.276 1.255 -9.897 1.00 0.00 H new ATOM 865 N SER B 39 -8.444 6.421 -12.059 1.00 0.00 N ATOM 866 CA SER B 39 -9.769 7.021 -11.938 1.00 0.00 C ATOM 867 C SER B 39 -10.451 6.598 -10.641 1.00 0.00 C ATOM 868 O SER B 39 -10.018 5.652 -9.977 1.00 0.00 O ATOM 869 CB SER B 39 -10.636 6.701 -13.169 1.00 0.00 C ATOM 870 OG SER B 39 -10.057 7.209 -14.361 1.00 0.00 O ATOM 0 H SER B 39 -8.447 5.404 -11.975 1.00 0.00 H new ATOM 0 HA SER B 39 -9.645 8.103 -11.899 1.00 0.00 H new ATOM 0 HB2 SER B 39 -10.762 5.622 -13.256 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.630 7.128 -13.036 1.00 0.00 H new ATOM 0 HG SER B 39 -10.631 6.987 -15.124 1.00 0.00 H new ATOM 876 N ASP B 40 -11.485 7.338 -10.234 1.00 0.00 N ATOM 877 CA ASP B 40 -11.994 7.282 -8.859 1.00 0.00 C ATOM 878 C ASP B 40 -12.475 5.889 -8.434 1.00 0.00 C ATOM 879 O ASP B 40 -12.302 5.526 -7.280 1.00 0.00 O ATOM 880 CB ASP B 40 -13.069 8.363 -8.646 1.00 0.00 C ATOM 881 CG ASP B 40 -13.250 8.751 -7.163 1.00 0.00 C ATOM 882 OD1 ASP B 40 -12.231 9.056 -6.497 1.00 0.00 O ATOM 883 OD2 ASP B 40 -14.408 8.801 -6.686 1.00 0.00 O ATOM 0 H ASP B 40 -11.989 7.986 -10.839 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.153 7.494 -8.199 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.801 9.251 -9.218 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.020 8.005 -9.041 1.00 0.00 H new ATOM 888 N GLU B 41 -12.997 5.064 -9.347 1.00 0.00 N ATOM 889 CA GLU B 41 -13.336 3.641 -9.098 1.00 0.00 C ATOM 890 C GLU B 41 -12.112 2.790 -8.748 1.00 0.00 C ATOM 891 O GLU B 41 -12.092 2.099 -7.732 1.00 0.00 O ATOM 892 CB GLU B 41 -13.996 3.022 -10.336 1.00 0.00 C ATOM 893 CG GLU B 41 -15.292 3.721 -10.745 1.00 0.00 C ATOM 894 CD GLU B 41 -16.509 2.983 -10.199 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.947 3.305 -9.073 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.031 2.093 -10.908 1.00 0.00 O ATOM 0 H GLU B 41 -13.203 5.363 -10.300 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.017 3.641 -8.247 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.294 3.057 -11.169 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.205 1.970 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.288 4.746 -10.375 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.353 3.775 -11.832 1.00 0.00 H new ATOM 903 N GLN B 42 -11.065 2.901 -9.570 1.00 0.00 N ATOM 904 CA GLN B 42 -9.745 2.263 -9.387 1.00 0.00 C ATOM 905 C GLN B 42 -9.103 2.674 -8.057 1.00 0.00 C ATOM 906 O GLN B 42 -8.586 1.834 -7.320 1.00 0.00 O ATOM 907 CB GLN B 42 -8.813 2.603 -10.562 1.00 0.00 C ATOM 908 CG GLN B 42 -9.388 2.210 -11.934 1.00 0.00 C ATOM 909 CD GLN B 42 -8.565 2.736 -13.093 1.00 0.00 C ATOM 910 OE1 GLN B 42 -7.714 3.603 -12.953 1.00 0.00 O ATOM 911 NE2 GLN B 42 -8.821 2.244 -14.284 1.00 0.00 N ATOM 0 H GLN B 42 -11.109 3.462 -10.421 1.00 0.00 H new ATOM 0 HA GLN B 42 -9.899 1.184 -9.363 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.609 3.674 -10.556 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -7.859 2.096 -10.418 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -9.446 1.124 -12.000 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -10.407 2.589 -12.017 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -9.532 1.521 -14.395 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -8.309 2.585 -15.098 1.00 0.00 H new ATOM 920 N TYR B 43 -9.194 3.961 -7.713 1.00 0.00 N ATOM 921 CA TYR B 43 -8.700 4.496 -6.444 1.00 0.00 C ATOM 922 C TYR B 43 -9.545 4.044 -5.242 1.00 0.00 C ATOM 923 O TYR B 43 -8.999 3.618 -4.228 1.00 0.00 O ATOM 924 CB TYR B 43 -8.671 6.022 -6.537 1.00 0.00 C ATOM 925 CG TYR B 43 -7.806 6.680 -5.481 1.00 0.00 C ATOM 926 CD1 TYR B 43 -6.426 6.836 -5.714 1.00 0.00 C ATOM 927 CD2 TYR B 43 -8.373 7.168 -4.287 1.00 0.00 C ATOM 928 CE1 TYR B 43 -5.629 7.527 -4.786 1.00 0.00 C ATOM 929 CE2 TYR B 43 -7.564 7.825 -3.342 1.00 0.00 C ATOM 930 CZ TYR B 43 -6.193 8.014 -3.597 1.00 0.00 C ATOM 931 OH TYR B 43 -5.411 8.682 -2.704 1.00 0.00 O ATOM 0 H TYR B 43 -9.617 4.667 -8.315 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.697 4.105 -6.275 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.307 6.310 -7.523 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.689 6.402 -6.449 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -5.980 6.424 -6.607 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -9.428 7.038 -4.097 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -4.580 7.684 -4.988 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -7.996 8.185 -2.420 1.00 0.00 H new ATOM 0 HH TYR B 43 -5.953 8.954 -1.934 1.00 0.00 H new ATOM 941 N GLN B 44 -10.875 4.063 -5.363 1.00 0.00 N ATOM 942 CA GLN B 44 -11.817 3.686 -4.297 1.00 0.00 C ATOM 943 C GLN B 44 -11.726 2.212 -3.911 1.00 0.00 C ATOM 944 O GLN B 44 -11.797 1.882 -2.728 1.00 0.00 O ATOM 945 CB GLN B 44 -13.267 3.963 -4.709 1.00 0.00 C ATOM 946 CG GLN B 44 -13.695 5.419 -4.498 1.00 0.00 C ATOM 947 CD GLN B 44 -15.050 5.669 -5.124 1.00 0.00 C ATOM 948 OE1 GLN B 44 -16.048 5.868 -4.442 1.00 0.00 O ATOM 949 NE2 GLN B 44 -15.125 5.621 -6.437 1.00 0.00 N ATOM 0 H GLN B 44 -11.341 4.347 -6.224 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.532 4.298 -3.441 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.393 3.704 -5.760 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.929 3.312 -4.139 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -13.734 5.642 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -12.956 6.089 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -14.284 5.454 -6.990 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -16.024 5.750 -6.902 1.00 0.00 H new ATOM 958 N LYS B 45 -11.552 1.308 -4.878 1.00 0.00 N ATOM 959 CA LYS B 45 -11.343 -0.107 -4.581 1.00 0.00 C ATOM 960 C LYS B 45 -10.015 -0.340 -3.834 1.00 0.00 C ATOM 961 O LYS B 45 -9.957 -1.175 -2.929 1.00 0.00 O ATOM 962 CB LYS B 45 -11.445 -0.928 -5.879 1.00 0.00 C ATOM 963 CG LYS B 45 -12.662 -1.871 -5.878 1.00 0.00 C ATOM 964 CD LYS B 45 -12.460 -3.098 -4.971 1.00 0.00 C ATOM 965 CE LYS B 45 -13.764 -3.807 -4.574 1.00 0.00 C ATOM 966 NZ LYS B 45 -14.499 -4.372 -5.728 1.00 0.00 N ATOM 0 H LYS B 45 -11.552 1.533 -5.873 1.00 0.00 H new ATOM 0 HA LYS B 45 -12.127 -0.449 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.513 -0.251 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.535 -1.513 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -13.543 -1.321 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.859 -2.205 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -11.812 -3.811 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -11.939 -2.785 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -13.534 -4.608 -3.871 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.409 -3.100 -4.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.368 -4.836 -5.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -14.747 -3.608 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -13.899 -5.069 -6.214 1.00 0.00 H new ATOM 980 N LEU B 46 -8.975 0.448 -4.135 1.00 0.00 N ATOM 981 CA LEU B 46 -7.717 0.413 -3.386 1.00 0.00 C ATOM 982 C LEU B 46 -7.795 1.094 -2.009 1.00 0.00 C ATOM 983 O LEU B 46 -7.201 0.607 -1.052 1.00 0.00 O ATOM 984 CB LEU B 46 -6.593 0.980 -4.274 1.00 0.00 C ATOM 985 CG LEU B 46 -5.668 -0.167 -4.701 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.867 0.170 -5.949 1.00 0.00 C ATOM 987 CD2 LEU B 46 -4.666 -0.481 -3.593 1.00 0.00 C ATOM 0 H LEU B 46 -8.983 1.123 -4.900 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.493 -0.626 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.017 1.469 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -6.028 1.737 -3.729 1.00 0.00 H new ATOM 0 HG LEU B 46 -6.316 -1.019 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -4.228 -0.674 -6.210 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -5.549 0.378 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.249 1.048 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -4.016 -1.297 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -4.063 0.403 -3.386 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -5.202 -0.774 -2.690 1.00 0.00 H new ATOM 999 N GLU B 47 -8.593 2.153 -1.870 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.911 2.808 -0.584 1.00 0.00 C ATOM 1001 C GLU B 47 -9.723 1.920 0.353 1.00 0.00 C ATOM 1002 O GLU B 47 -9.426 1.831 1.544 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.631 4.140 -0.829 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.684 5.006 0.426 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.424 6.305 0.131 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.674 6.300 0.186 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -9.753 7.328 -0.134 1.00 0.00 O ATOM 0 H GLU B 47 -9.052 2.597 -2.665 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.962 2.998 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.122 4.685 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.645 3.944 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.185 4.466 1.229 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.673 5.224 0.771 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.698 1.193 -0.185 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.516 0.258 0.583 1.00 0.00 C ATOM 1016 C LYS B 48 -10.728 -0.998 1.015 1.00 0.00 C ATOM 1017 O LYS B 48 -10.987 -1.551 2.085 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.807 -0.044 -0.195 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.803 -0.886 0.625 1.00 0.00 C ATOM 1020 CD LYS B 48 -15.282 -0.709 0.235 1.00 0.00 C ATOM 1021 CE LYS B 48 -15.618 -0.972 -1.242 1.00 0.00 C ATOM 1022 NZ LYS B 48 -15.564 0.254 -2.072 1.00 0.00 N ATOM 0 H LYS B 48 -10.945 1.236 -1.174 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.805 0.721 1.526 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.281 0.894 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.558 -0.574 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.539 -1.938 0.520 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.688 -0.633 1.679 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -15.883 -1.378 0.850 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.584 0.309 0.482 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -14.920 -1.707 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -16.615 -1.408 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -16.486 0.406 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -15.337 1.071 -1.470 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -14.831 0.147 -2.802 1.00 0.00 H new ATOM 1036 N MET B 49 -9.696 -1.394 0.259 1.00 0.00 N ATOM 1037 CA MET B 49 -8.663 -2.317 0.710 1.00 0.00 C ATOM 1038 C MET B 49 -7.741 -1.692 1.773 1.00 0.00 C ATOM 1039 O MET B 49 -7.498 -2.299 2.814 1.00 0.00 O ATOM 1040 CB MET B 49 -7.827 -2.717 -0.504 1.00 0.00 C ATOM 1041 CG MET B 49 -8.327 -3.976 -1.213 1.00 0.00 C ATOM 1042 SD MET B 49 -7.037 -4.826 -2.167 1.00 0.00 S ATOM 1043 CE MET B 49 -6.445 -3.460 -3.194 1.00 0.00 C ATOM 0 H MET B 49 -9.559 -1.072 -0.699 1.00 0.00 H new ATOM 0 HA MET B 49 -9.147 -3.179 1.169 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.818 -1.891 -1.215 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.796 -2.876 -0.187 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.734 -4.664 -0.472 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.145 -3.707 -1.881 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.877 -3.857 -4.035 1.00 0.00 H new ATOM 0 HE2 MET B 49 -7.296 -2.890 -3.567 1.00 0.00 H new ATOM 0 HE3 MET B 49 -5.805 -2.808 -2.599 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.265 -0.462 1.560 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.377 0.247 2.480 1.00 0.00 C ATOM 1055 C ALA B 50 -6.973 0.470 3.878 1.00 0.00 C ATOM 1056 O ALA B 50 -6.237 0.462 4.860 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.939 1.558 1.830 1.00 0.00 C ATOM 0 H ALA B 50 -7.492 0.078 0.725 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.509 -0.388 2.657 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.276 2.096 2.507 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.412 1.345 0.900 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.816 2.170 1.618 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.294 0.570 4.008 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.992 0.562 5.298 1.00 0.00 C ATOM 1065 C ASN B 51 -8.691 -0.692 6.160 1.00 0.00 C ATOM 1066 O ASN B 51 -8.710 -0.616 7.390 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.487 0.737 5.005 1.00 0.00 C ATOM 1068 CG ASN B 51 -11.361 0.652 6.250 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -11.445 1.581 7.042 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -12.049 -0.455 6.448 1.00 0.00 N ATOM 0 H ASN B 51 -8.922 0.660 3.209 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.628 1.385 5.913 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.645 1.702 4.524 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.803 -0.028 4.295 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -12.655 -0.540 7.264 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -11.976 -1.227 5.785 1.00 0.00 H new ATOM 1077 N GLU B 52 -8.348 -1.831 5.538 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.893 -3.062 6.217 1.00 0.00 C ATOM 1079 C GLU B 52 -6.485 -2.940 6.822 1.00 0.00 C ATOM 1080 O GLU B 52 -6.202 -3.536 7.862 1.00 0.00 O ATOM 1081 CB GLU B 52 -7.943 -4.266 5.263 1.00 0.00 C ATOM 1082 CG GLU B 52 -7.982 -5.597 6.013 1.00 0.00 C ATOM 1083 CD GLU B 52 -8.176 -6.747 5.033 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -9.345 -7.069 4.717 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -7.163 -7.341 4.603 1.00 0.00 O ATOM 0 H GLU B 52 -8.379 -1.927 4.523 1.00 0.00 H new ATOM 0 HA GLU B 52 -8.586 -3.217 7.044 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -8.823 -4.185 4.625 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -7.071 -4.245 4.609 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -7.055 -5.736 6.570 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -8.793 -5.589 6.741 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.628 -2.111 6.213 1.00 0.00 N ATOM 1093 CA GLU B 53 -4.307 -1.674 6.709 1.00 0.00 C ATOM 1094 C GLU B 53 -4.381 -0.397 7.564 1.00 0.00 C ATOM 1095 O GLU B 53 -3.364 0.064 8.084 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.380 -1.448 5.506 1.00 0.00 C ATOM 1097 CG GLU B 53 -2.744 -2.734 4.976 1.00 0.00 C ATOM 1098 CD GLU B 53 -1.657 -3.249 5.914 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -0.521 -2.729 5.849 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -1.927 -4.197 6.686 1.00 0.00 O ATOM 0 H GLU B 53 -5.847 -1.700 5.306 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.917 -2.458 7.358 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.947 -0.975 4.704 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -2.591 -0.752 5.791 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -3.512 -3.497 4.854 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.318 -2.550 3.990 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.592 0.146 7.739 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.936 1.364 8.505 1.00 0.00 C ATOM 1109 C GLU B 54 -5.484 2.656 7.802 1.00 0.00 C ATOM 1110 O GLU B 54 -4.866 3.543 8.392 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.502 1.251 9.980 1.00 0.00 C ATOM 1112 CG GLU B 54 -6.405 2.077 10.891 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.915 1.991 12.331 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -6.344 1.063 13.052 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -5.115 2.861 12.744 1.00 0.00 O ATOM 0 H GLU B 54 -6.420 -0.279 7.322 1.00 0.00 H new ATOM 0 HA GLU B 54 -7.023 1.441 8.529 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.528 0.206 10.290 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.471 1.589 10.084 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -6.413 3.116 10.563 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -7.431 1.714 10.825 1.00 0.00 H new ATOM 1122 N GLU B 55 -5.800 2.716 6.501 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.443 3.729 5.485 1.00 0.00 C ATOM 1124 C GLU B 55 -3.943 3.828 5.180 1.00 0.00 C ATOM 1125 O GLU B 55 -3.127 4.225 6.010 1.00 0.00 O ATOM 1126 CB GLU B 55 -6.027 5.120 5.775 1.00 0.00 C ATOM 1127 CG GLU B 55 -7.552 5.154 5.933 1.00 0.00 C ATOM 1128 CD GLU B 55 -7.982 4.967 7.384 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -7.846 5.932 8.172 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -8.510 3.884 7.721 1.00 0.00 O ATOM 0 H GLU B 55 -6.372 1.981 6.086 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.919 3.349 4.581 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -5.572 5.507 6.687 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -5.744 5.794 4.966 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -7.933 6.105 5.562 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -7.997 4.371 5.319 1.00 0.00 H new ATOM 1137 N SER B 56 -3.586 3.452 3.952 1.00 0.00 N ATOM 1138 CA SER B 56 -2.218 3.385 3.407 1.00 0.00 C ATOM 1139 C SER B 56 -2.233 3.537 1.868 1.00 0.00 C ATOM 1140 O SER B 56 -1.404 2.959 1.158 1.00 0.00 O ATOM 1141 CB SER B 56 -1.564 2.049 3.818 1.00 0.00 C ATOM 1142 OG SER B 56 -1.254 2.018 5.201 1.00 0.00 O ATOM 0 H SER B 56 -4.283 3.167 3.264 1.00 0.00 H new ATOM 0 HA SER B 56 -1.632 4.208 3.816 1.00 0.00 H new ATOM 0 HB2 SER B 56 -2.237 1.226 3.578 1.00 0.00 H new ATOM 0 HB3 SER B 56 -0.654 1.896 3.238 1.00 0.00 H new ATOM 0 HG SER B 56 -1.670 2.785 5.647 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.229 4.243 1.314 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.385 4.400 -0.147 1.00 0.00 C ATOM 1150 C VAL B 57 -2.119 4.989 -0.796 1.00 0.00 C ATOM 1151 O VAL B 57 -1.531 5.948 -0.292 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.603 5.252 -0.570 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.857 4.386 -0.637 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -4.912 6.427 0.364 1.00 0.00 C ATOM 0 H VAL B 57 -3.947 4.720 1.859 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.556 3.385 -0.507 1.00 0.00 H new ATOM 0 HB VAL B 57 -4.330 5.660 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.707 4.999 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -5.710 3.589 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -6.051 3.950 0.343 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -5.781 6.969 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -5.121 6.051 1.365 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -4.054 7.098 0.401 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.668 4.383 -1.895 1.00 0.00 N ATOM 1165 CA GLY B 58 -0.410 4.708 -2.593 1.00 0.00 C ATOM 1166 C GLY B 58 0.727 3.760 -2.199 1.00 0.00 C ATOM 1167 O GLY B 58 1.363 3.149 -3.055 1.00 0.00 O ATOM 0 H GLY B 58 -2.182 3.625 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.569 4.655 -3.670 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -0.123 5.734 -2.363 1.00 0.00 H new ATOM 1171 N SER B 59 0.891 3.508 -0.903 1.00 0.00 N ATOM 1172 CA SER B 59 1.728 2.410 -0.419 1.00 0.00 C ATOM 1173 C SER B 59 1.081 1.052 -0.715 1.00 0.00 C ATOM 1174 O SER B 59 1.759 0.135 -1.169 1.00 0.00 O ATOM 1175 CB SER B 59 1.961 2.568 1.082 1.00 0.00 C ATOM 1176 OG SER B 59 2.753 3.708 1.373 1.00 0.00 O ATOM 0 H SER B 59 0.451 4.054 -0.162 1.00 0.00 H new ATOM 0 HA SER B 59 2.684 2.446 -0.941 1.00 0.00 H new ATOM 0 HB2 SER B 59 1.001 2.652 1.592 1.00 0.00 H new ATOM 0 HB3 SER B 59 2.452 1.675 1.470 1.00 0.00 H new ATOM 0 HG SER B 59 2.880 3.779 2.342 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.244 0.927 -0.561 1.00 0.00 N ATOM 1183 CA TYR B 60 -0.997 -0.287 -0.919 1.00 0.00 C ATOM 1184 C TYR B 60 -0.864 -0.654 -2.411 1.00 0.00 C ATOM 1185 O TYR B 60 -0.704 -1.821 -2.755 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.473 -0.116 -0.534 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.150 -1.397 -0.067 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.395 -2.459 -0.962 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.536 -1.532 1.281 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.021 -3.638 -0.516 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -4.187 -2.701 1.718 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.422 -3.756 0.824 1.00 0.00 C ATOM 1193 OH TYR B 60 -5.053 -4.883 1.259 1.00 0.00 O ATOM 0 H TYR B 60 -0.830 1.671 -0.181 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.565 -1.115 -0.357 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.546 0.629 0.258 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.017 0.277 -1.393 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.100 -2.367 -1.997 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.332 -0.736 1.982 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.193 -4.452 -1.205 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.507 -2.786 2.746 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.258 -4.795 2.213 1.00 0.00 H new ATOM 1203 N ILE B 61 -0.846 0.356 -3.288 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.593 0.201 -4.742 1.00 0.00 C ATOM 1205 C ILE B 61 0.743 -0.501 -4.978 1.00 0.00 C ATOM 1206 O ILE B 61 0.814 -1.524 -5.662 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.628 1.587 -5.448 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.089 2.027 -5.599 1.00 0.00 C ATOM 1209 CG2 ILE B 61 0.059 1.624 -6.829 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.306 3.461 -6.087 1.00 0.00 C ATOM 0 H ILE B 61 -1.009 1.324 -3.012 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.381 -0.418 -5.171 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.059 2.267 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.583 1.348 -6.294 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.585 1.912 -4.635 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -0.015 2.629 -7.245 1.00 0.00 H new ATOM 0 HG22 ILE B 61 1.109 1.352 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.431 0.917 -7.498 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.375 3.664 -6.157 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -1.850 4.158 -5.384 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -1.848 3.585 -7.069 1.00 0.00 H new ATOM 1222 N LYS B 62 1.793 0.024 -4.347 1.00 0.00 N ATOM 1223 CA LYS B 62 3.119 -0.571 -4.403 1.00 0.00 C ATOM 1224 C LYS B 62 3.111 -1.987 -3.794 1.00 0.00 C ATOM 1225 O LYS B 62 3.504 -2.950 -4.448 1.00 0.00 O ATOM 1226 CB LYS B 62 4.118 0.389 -3.717 1.00 0.00 C ATOM 1227 CG LYS B 62 5.324 0.667 -4.631 1.00 0.00 C ATOM 1228 CD LYS B 62 6.336 1.667 -4.047 1.00 0.00 C ATOM 1229 CE LYS B 62 7.125 1.088 -2.862 1.00 0.00 C ATOM 1230 NZ LYS B 62 8.126 2.048 -2.342 1.00 0.00 N ATOM 0 H LYS B 62 1.744 0.873 -3.784 1.00 0.00 H new ATOM 0 HA LYS B 62 3.438 -0.702 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.618 1.326 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.460 -0.045 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.835 -0.273 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS B 62 4.962 1.048 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.033 1.971 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.809 2.564 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS B 62 6.434 0.816 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.628 0.172 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.780 1.555 -1.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.661 2.456 -3.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.641 2.809 -1.824 1.00 0.00 H new ATOM 1244 N ARG B 63 2.577 -2.148 -2.583 1.00 0.00 N ATOM 1245 CA ARG B 63 2.494 -3.430 -1.867 1.00 0.00 C ATOM 1246 C ARG B 63 1.796 -4.522 -2.691 1.00 0.00 C ATOM 1247 O ARG B 63 2.251 -5.659 -2.684 1.00 0.00 O ATOM 1248 CB ARG B 63 1.758 -3.267 -0.527 1.00 0.00 C ATOM 1249 CG ARG B 63 2.583 -2.567 0.565 1.00 0.00 C ATOM 1250 CD ARG B 63 1.710 -2.336 1.807 1.00 0.00 C ATOM 1251 NE ARG B 63 2.450 -1.655 2.887 1.00 0.00 N ATOM 1252 CZ ARG B 63 3.176 -2.217 3.841 1.00 0.00 C ATOM 1253 NH1 ARG B 63 3.379 -3.506 3.903 1.00 0.00 N ATOM 1254 NH2 ARG B 63 3.729 -1.479 4.762 1.00 0.00 N ATOM 0 H ARG B 63 2.178 -1.372 -2.055 1.00 0.00 H new ATOM 0 HA ARG B 63 3.523 -3.743 -1.689 1.00 0.00 H new ATOM 0 HB2 ARG B 63 0.843 -2.699 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG B 63 1.461 -4.252 -0.167 1.00 0.00 H new ATOM 0 HG2 ARG B 63 3.449 -3.175 0.826 1.00 0.00 H new ATOM 0 HG3 ARG B 63 2.962 -1.615 0.193 1.00 0.00 H new ATOM 0 HD2 ARG B 63 0.840 -1.739 1.532 1.00 0.00 H new ATOM 0 HD3 ARG B 63 1.338 -3.294 2.171 1.00 0.00 H new ATOM 0 HE ARG B 63 2.396 -0.637 2.900 1.00 0.00 H new ATOM 0 HH11 ARG B 63 2.971 -4.121 3.199 1.00 0.00 H new ATOM 0 HH12 ARG B 63 3.945 -3.897 4.656 1.00 0.00 H new ATOM 0 HH21 ARG B 63 3.603 -0.467 4.749 1.00 0.00 H new ATOM 0 HH22 ARG B 63 4.288 -1.914 5.496 1.00 0.00 H new ATOM 1268 N TYR B 64 0.742 -4.200 -3.443 1.00 0.00 N ATOM 1269 CA TYR B 64 -0.006 -5.184 -4.236 1.00 0.00 C ATOM 1270 C TYR B 64 0.850 -5.805 -5.349 1.00 0.00 C ATOM 1271 O TYR B 64 0.911 -7.019 -5.538 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.247 -4.513 -4.839 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.367 -5.510 -5.079 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.304 -6.411 -6.160 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.414 -5.616 -4.146 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.262 -7.437 -6.279 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.381 -6.629 -4.278 1.00 0.00 C ATOM 1278 CZ TYR B 64 -4.295 -7.550 -5.333 1.00 0.00 C ATOM 1279 OH TYR B 64 -5.204 -8.562 -5.419 1.00 0.00 O ATOM 0 H TYR B 64 0.381 -3.249 -3.521 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.303 -5.994 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.597 -3.728 -4.169 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.979 -4.033 -5.781 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.521 -6.315 -6.898 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.476 -4.917 -3.325 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -3.202 -8.138 -7.099 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -5.191 -6.698 -3.566 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.519 -8.796 -4.521 1.00 0.00 H new ATOM 1289 N ILE B 65 1.578 -4.935 -6.037 1.00 0.00 N ATOM 1290 CA ILE B 65 2.552 -5.268 -7.082 1.00 0.00 C ATOM 1291 C ILE B 65 3.746 -6.024 -6.482 1.00 0.00 C ATOM 1292 O ILE B 65 4.166 -7.054 -7.005 1.00 0.00 O ATOM 1293 CB ILE B 65 2.988 -3.967 -7.790 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.858 -3.342 -8.636 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.250 -4.145 -8.643 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.488 -4.113 -9.911 1.00 0.00 C ATOM 0 H ILE B 65 1.506 -3.930 -5.878 1.00 0.00 H new ATOM 0 HA ILE B 65 2.098 -5.929 -7.820 1.00 0.00 H new ATOM 0 HB ILE B 65 3.227 -3.275 -6.983 1.00 0.00 H new ATOM 0 HG12 ILE B 65 0.967 -3.253 -8.014 1.00 0.00 H new ATOM 0 HG13 ILE B 65 2.153 -2.331 -8.916 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.507 -3.197 -9.115 1.00 0.00 H new ATOM 0 HG22 ILE B 65 5.075 -4.470 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE B 65 4.066 -4.895 -9.412 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.685 -3.591 -10.432 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.360 -4.180 -10.562 1.00 0.00 H new ATOM 0 HD13 ILE B 65 1.156 -5.117 -9.646 1.00 0.00 H new ATOM 1308 N LEU B 66 4.253 -5.561 -5.340 1.00 0.00 N ATOM 1309 CA LEU B 66 5.434 -6.131 -4.686 1.00 0.00 C ATOM 1310 C LEU B 66 5.117 -7.512 -4.076 1.00 0.00 C ATOM 1311 O LEU B 66 5.965 -8.404 -4.061 1.00 0.00 O ATOM 1312 CB LEU B 66 5.937 -5.112 -3.647 1.00 0.00 C ATOM 1313 CG LEU B 66 6.842 -3.980 -4.194 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.627 -3.530 -5.645 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.693 -2.727 -3.333 1.00 0.00 C ATOM 0 H LEU B 66 3.852 -4.770 -4.836 1.00 0.00 H new ATOM 0 HA LEU B 66 6.229 -6.311 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.072 -4.658 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.487 -5.650 -2.875 1.00 0.00 H new ATOM 0 HG LEU B 66 7.830 -4.440 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.331 -2.733 -5.887 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.790 -4.374 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.608 -3.163 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.333 -1.937 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.655 -2.395 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.984 -2.954 -2.307 1.00 0.00 H new ATOM 1327 N LYS B 67 3.864 -7.718 -3.666 1.00 0.00 N ATOM 1328 CA LYS B 67 3.318 -9.009 -3.264 1.00 0.00 C ATOM 1329 C LYS B 67 3.149 -9.961 -4.462 1.00 0.00 C ATOM 1330 O LYS B 67 3.568 -11.117 -4.404 1.00 0.00 O ATOM 1331 CB LYS B 67 1.984 -8.761 -2.546 1.00 0.00 C ATOM 1332 CG LYS B 67 1.420 -10.039 -1.906 1.00 0.00 C ATOM 1333 CD LYS B 67 0.176 -9.731 -1.060 1.00 0.00 C ATOM 1334 CE LYS B 67 -0.365 -11.018 -0.422 1.00 0.00 C ATOM 1335 NZ LYS B 67 -1.552 -10.763 0.422 1.00 0.00 N ATOM 0 H LYS B 67 3.181 -6.963 -3.604 1.00 0.00 H new ATOM 0 HA LYS B 67 4.015 -9.503 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS B 67 2.124 -8.003 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS B 67 1.260 -8.363 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS B 67 1.165 -10.758 -2.685 1.00 0.00 H new ATOM 0 HG3 LYS B 67 2.183 -10.504 -1.281 1.00 0.00 H new ATOM 0 HD2 LYS B 67 0.426 -9.009 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -0.593 -9.275 -1.684 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -0.624 -11.730 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS B 67 0.417 -11.479 0.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -1.885 -11.659 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -1.300 -10.104 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -2.308 -10.347 -0.159 1.00 0.00 H new ATOM 1349 N ALA B 68 2.599 -9.466 -5.576 1.00 0.00 N ATOM 1350 CA ALA B 68 2.437 -10.236 -6.813 1.00 0.00 C ATOM 1351 C ALA B 68 3.781 -10.688 -7.415 1.00 0.00 C ATOM 1352 O ALA B 68 3.883 -11.781 -7.966 1.00 0.00 O ATOM 1353 CB ALA B 68 1.647 -9.402 -7.824 1.00 0.00 C ATOM 0 H ALA B 68 2.250 -8.510 -5.644 1.00 0.00 H new ATOM 0 HA ALA B 68 1.890 -11.147 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.523 -9.970 -8.746 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.667 -9.162 -7.411 1.00 0.00 H new ATOM 0 HB3 ALA B 68 2.187 -8.479 -8.036 1.00 0.00 H new ATOM 1359 N LEU B 69 4.841 -9.895 -7.245 1.00 0.00 N ATOM 1360 CA LEU B 69 6.189 -10.151 -7.766 1.00 0.00 C ATOM 1361 C LEU B 69 6.861 -11.401 -7.174 1.00 0.00 C ATOM 1362 O LEU B 69 7.800 -11.943 -7.763 1.00 0.00 O ATOM 1363 CB LEU B 69 7.050 -8.900 -7.499 1.00 0.00 C ATOM 1364 CG LEU B 69 7.453 -8.161 -8.779 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.287 -7.403 -9.394 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.548 -7.141 -8.484 1.00 0.00 C ATOM 0 H LEU B 69 4.783 -9.022 -6.720 1.00 0.00 H new ATOM 0 HA LEU B 69 6.099 -10.353 -8.833 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.498 -8.218 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.950 -9.194 -6.958 1.00 0.00 H new ATOM 0 HG LEU B 69 7.801 -8.924 -9.475 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.620 -6.895 -10.299 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.489 -8.103 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU B 69 5.915 -6.667 -8.681 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.822 -6.625 -9.404 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.183 -6.416 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU B 69 9.422 -7.652 -8.080 1.00 0.00 H new ATOM 1378 N ARG B 70 6.369 -11.859 -6.024 1.00 0.00 N ATOM 1379 CA ARG B 70 6.759 -13.128 -5.415 1.00 0.00 C ATOM 1380 C ARG B 70 6.355 -14.346 -6.278 1.00 0.00 C ATOM 1381 O ARG B 70 7.092 -15.332 -6.335 1.00 0.00 O ATOM 1382 CB ARG B 70 6.185 -13.247 -3.992 1.00 0.00 C ATOM 1383 CG ARG B 70 6.628 -12.086 -3.079 1.00 0.00 C ATOM 1384 CD ARG B 70 6.155 -12.254 -1.630 1.00 0.00 C ATOM 1385 NE ARG B 70 6.904 -13.313 -0.927 1.00 0.00 N ATOM 1386 CZ ARG B 70 6.806 -13.630 0.355 1.00 0.00 C ATOM 1387 NH1 ARG B 70 5.971 -13.031 1.160 1.00 0.00 N ATOM 1388 NH2 ARG B 70 7.559 -14.567 0.858 1.00 0.00 N ATOM 0 H ARG B 70 5.674 -11.348 -5.479 1.00 0.00 H new ATOM 0 HA ARG B 70 7.847 -13.133 -5.354 1.00 0.00 H new ATOM 0 HB2 ARG B 70 5.096 -13.270 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG B 70 6.503 -14.192 -3.553 1.00 0.00 H new ATOM 0 HG2 ARG B 70 7.715 -12.012 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG B 70 6.239 -11.149 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG B 70 6.274 -11.310 -1.097 1.00 0.00 H new ATOM 0 HD3 ARG B 70 5.092 -12.494 -1.620 1.00 0.00 H new ATOM 0 HE ARG B 70 7.564 -13.856 -1.485 1.00 0.00 H new ATOM 0 HH11 ARG B 70 5.365 -12.290 0.807 1.00 0.00 H new ATOM 0 HH12 ARG B 70 5.925 -13.304 2.142 1.00 0.00 H new ATOM 0 HH21 ARG B 70 8.226 -15.059 0.264 1.00 0.00 H new ATOM 0 HH22 ARG B 70 7.481 -14.809 1.846 1.00 0.00 H new ATOM 1402 N LYS B 71 5.215 -14.259 -6.977 1.00 0.00 N ATOM 1403 CA LYS B 71 4.672 -15.258 -7.913 1.00 0.00 C ATOM 1404 C LYS B 71 3.792 -14.605 -9.014 1.00 0.00 C ATOM 1405 O LYS B 71 2.562 -14.706 -8.990 1.00 0.00 O ATOM 1406 CB LYS B 71 3.891 -16.366 -7.187 1.00 0.00 C ATOM 1407 CG LYS B 71 4.741 -17.349 -6.362 1.00 0.00 C ATOM 1408 CD LYS B 71 3.955 -18.602 -5.934 1.00 0.00 C ATOM 1409 CE LYS B 71 3.615 -19.508 -7.128 1.00 0.00 C ATOM 1410 NZ LYS B 71 2.902 -20.735 -6.711 1.00 0.00 N ATOM 0 H LYS B 71 4.610 -13.441 -6.901 1.00 0.00 H new ATOM 0 HA LYS B 71 5.532 -15.719 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.163 -15.898 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS B 71 3.328 -16.934 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS B 71 5.609 -17.652 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS B 71 5.117 -16.841 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS B 71 4.540 -19.165 -5.207 1.00 0.00 H new ATOM 0 HD3 LYS B 71 3.034 -18.299 -5.436 1.00 0.00 H new ATOM 0 HE2 LYS B 71 3.000 -18.955 -7.838 1.00 0.00 H new ATOM 0 HE3 LYS B 71 4.533 -19.782 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 2.693 -21.316 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 3.499 -21.277 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 2.013 -20.476 -6.238 1.00 0.00 H new ATOM 1424 N ILE B 72 4.413 -13.921 -9.988 1.00 0.00 N ATOM 1425 CA ILE B 72 3.721 -13.422 -11.200 1.00 0.00 C ATOM 1426 C ILE B 72 2.868 -14.511 -11.902 1.00 0.00 C ATOM 1427 O ILE B 72 1.754 -14.230 -12.357 1.00 0.00 O ATOM 1428 CB ILE B 72 4.751 -12.810 -12.179 1.00 0.00 C ATOM 1429 CG1 ILE B 72 5.451 -11.559 -11.601 1.00 0.00 C ATOM 1430 CG2 ILE B 72 4.137 -12.469 -13.550 1.00 0.00 C ATOM 1431 CD1 ILE B 72 4.540 -10.364 -11.284 1.00 0.00 C ATOM 0 H ILE B 72 5.407 -13.696 -9.963 1.00 0.00 H new ATOM 0 HA ILE B 72 3.022 -12.650 -10.879 1.00 0.00 H new ATOM 0 HB ILE B 72 5.500 -13.589 -12.322 1.00 0.00 H new ATOM 0 HG12 ILE B 72 5.970 -11.847 -10.687 1.00 0.00 H new ATOM 0 HG13 ILE B 72 6.212 -11.233 -12.310 1.00 0.00 H new ATOM 0 HG21 ILE B 72 4.904 -12.043 -14.196 1.00 0.00 H new ATOM 0 HG22 ILE B 72 3.740 -13.376 -14.007 1.00 0.00 H new ATOM 0 HG23 ILE B 72 3.331 -11.747 -13.418 1.00 0.00 H new ATOM 0 HD11 ILE B 72 5.139 -9.546 -10.885 1.00 0.00 H new ATOM 0 HD12 ILE B 72 4.039 -10.036 -12.195 1.00 0.00 H new ATOM 0 HD13 ILE B 72 3.794 -10.661 -10.547 1.00 0.00 H new ATOM 1443 N GLU B 73 3.391 -15.746 -11.984 1.00 0.00 N ATOM 1444 CA GLU B 73 2.741 -16.941 -12.559 1.00 0.00 C ATOM 1445 C GLU B 73 1.708 -17.560 -11.611 1.00 0.00 C ATOM 1446 O GLU B 73 0.529 -17.657 -12.014 1.00 0.00 O ATOM 1447 CB GLU B 73 3.795 -17.996 -12.922 1.00 0.00 C ATOM 1448 CG GLU B 73 4.688 -17.547 -14.081 1.00 0.00 C ATOM 1449 CD GLU B 73 5.663 -18.657 -14.448 1.00 0.00 C ATOM 1450 OE1 GLU B 73 6.770 -18.695 -13.864 1.00 0.00 O ATOM 1451 OE2 GLU B 73 5.324 -19.483 -15.326 1.00 0.00 O ATOM 0 H GLU B 73 4.327 -15.951 -11.634 1.00 0.00 H new ATOM 0 HA GLU B 73 2.215 -16.613 -13.455 1.00 0.00 H new ATOM 0 HB2 GLU B 73 4.413 -18.205 -12.049 1.00 0.00 H new ATOM 0 HB3 GLU B 73 3.297 -18.928 -13.190 1.00 0.00 H new ATOM 0 HG2 GLU B 73 4.075 -17.290 -14.945 1.00 0.00 H new ATOM 0 HG3 GLU B 73 5.237 -16.648 -13.801 1.00 0.00 H new TER 1458 GLU B 73