USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HE2:sc= 0.916 K(o=2.3,f=-1.5!) USER MOD Set 1.2: A 87 SER OG : rot 75:sc= 1.38 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 1.18 USER MOD Set 2.2: A 67 SER OG : rot 70:sc= 1.24 USER MOD Set 3.1: A 13 GLN : amide:sc= 1.99 K(o=4.4,f=-0.12) USER MOD Set 3.2: A 36 ASN : amide:sc= 1.63 K(o=4.4,f=-1.4) USER MOD Set 3.3: A 91 SER OG : rot -159:sc= 0.75 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0667 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 2.13 K(o=2.1,f=-6.8!) USER MOD Single : A 4 TYR OH : rot -175:sc= 1.29 USER MOD Single : A 19 TYR OH : rot 180:sc= 0.548 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.73! F(o=-2.3,f=-1.7!) USER MOD Single : A 23 MET CE :methyl -178:sc= 0 (180deg=-0.00575) USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= 1.26 (180deg=0.87) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 1.95 (180deg=1.33) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 54 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.12) USER MOD Single : A 55 SER OG : rot 83:sc= 1.2 USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.13) USER MOD Single : A 62 ASN : amide:sc= 0.825 K(o=0.83,f=-0.003) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.438 K(o=0.44,f=-2.4!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.086 -0.131 -0.424 1.00 0.00 N ATOM 2 CA MET A 1 1.296 -0.033 -1.282 1.00 0.00 C ATOM 3 C MET A 1 1.851 -1.432 -1.567 1.00 0.00 C ATOM 4 O MET A 1 1.633 -2.360 -0.786 1.00 0.00 O ATOM 5 CB MET A 1 2.402 0.850 -0.658 1.00 0.00 C ATOM 6 CG MET A 1 1.989 2.309 -0.409 1.00 0.00 C ATOM 7 SD MET A 1 1.297 3.168 -1.849 1.00 0.00 S ATOM 8 CE MET A 1 1.094 4.831 -1.156 1.00 0.00 C ATOM 0 H1 MET A 1 -0.738 0.236 -0.942 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.080 -1.126 -0.170 1.00 0.00 H new ATOM 0 H3 MET A 1 0.228 0.428 0.441 1.00 0.00 H new ATOM 0 HA MET A 1 0.988 0.445 -2.212 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.712 0.407 0.288 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.272 0.839 -1.315 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.254 2.330 0.395 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.860 2.863 -0.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.676 5.493 -1.914 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.421 4.789 -0.300 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.064 5.213 -0.836 1.00 0.00 H new ATOM 20 N LEU A 2 2.600 -1.583 -2.662 1.00 0.00 N ATOM 21 CA LEU A 2 3.361 -2.785 -3.001 1.00 0.00 C ATOM 22 C LEU A 2 4.793 -2.363 -3.334 1.00 0.00 C ATOM 23 O LEU A 2 5.137 -1.181 -3.239 1.00 0.00 O ATOM 24 CB LEU A 2 2.692 -3.557 -4.161 1.00 0.00 C ATOM 25 CG LEU A 2 1.406 -4.320 -3.785 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.859 -5.025 -5.031 1.00 0.00 C ATOM 27 CD2 LEU A 2 1.634 -5.374 -2.691 1.00 0.00 C ATOM 0 H LEU A 2 2.696 -0.846 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 2 3.380 -3.472 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.457 -2.852 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.412 -4.268 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 2 0.701 -3.586 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.051 -5.567 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.635 -4.285 -5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.604 -5.726 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.693 -5.878 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.364 -6.105 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.007 -4.888 -1.789 1.00 0.00 H new ATOM 39 N GLN A 3 5.634 -3.334 -3.681 1.00 0.00 N ATOM 40 CA GLN A 3 7.073 -3.200 -3.846 1.00 0.00 C ATOM 41 C GLN A 3 7.516 -4.249 -4.868 1.00 0.00 C ATOM 42 O GLN A 3 6.924 -5.330 -4.942 1.00 0.00 O ATOM 43 CB GLN A 3 7.686 -3.445 -2.456 1.00 0.00 C ATOM 44 CG GLN A 3 9.212 -3.614 -2.320 1.00 0.00 C ATOM 45 CD GLN A 3 9.547 -4.224 -0.952 1.00 0.00 C ATOM 46 OE1 GLN A 3 8.828 -5.086 -0.454 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.605 -3.822 -0.276 1.00 0.00 N ATOM 0 H GLN A 3 5.310 -4.284 -3.863 1.00 0.00 H new ATOM 0 HA GLN A 3 7.388 -2.222 -4.210 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.391 -2.612 -1.817 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.220 -4.341 -2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.589 -4.256 -3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.705 -2.648 -2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.219 -3.107 -0.667 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.810 -4.226 0.638 1.00 0.00 H new ATOM 56 N TYR A 4 8.573 -3.968 -5.628 1.00 0.00 N ATOM 57 CA TYR A 4 9.283 -4.982 -6.394 1.00 0.00 C ATOM 58 C TYR A 4 10.771 -4.659 -6.469 1.00 0.00 C ATOM 59 O TYR A 4 11.187 -3.521 -6.234 1.00 0.00 O ATOM 60 CB TYR A 4 8.658 -5.187 -7.793 1.00 0.00 C ATOM 61 CG TYR A 4 8.402 -3.980 -8.685 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.403 -3.021 -8.960 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.159 -3.883 -9.342 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.158 -1.976 -9.866 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.915 -2.852 -10.262 1.00 0.00 C ATOM 66 CZ TYR A 4 7.914 -1.892 -10.526 1.00 0.00 C ATOM 67 OH TYR A 4 7.704 -0.902 -11.432 1.00 0.00 O ATOM 0 H TYR A 4 8.959 -3.029 -5.728 1.00 0.00 H new ATOM 0 HA TYR A 4 9.180 -5.932 -5.870 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.307 -5.868 -8.344 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.705 -5.698 -7.653 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.363 -3.092 -8.470 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.387 -4.609 -9.135 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.922 -1.237 -10.057 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.963 -2.794 -10.768 1.00 0.00 H new ATOM 0 HH TYR A 4 6.774 -0.932 -11.740 1.00 0.00 H new ATOM 77 N ARG A 5 11.555 -5.651 -6.892 1.00 0.00 N ATOM 78 CA ARG A 5 12.883 -5.474 -7.461 1.00 0.00 C ATOM 79 C ARG A 5 12.796 -6.019 -8.883 1.00 0.00 C ATOM 80 O ARG A 5 12.097 -7.006 -9.121 1.00 0.00 O ATOM 81 CB ARG A 5 13.940 -6.203 -6.610 1.00 0.00 C ATOM 82 CG ARG A 5 15.375 -5.745 -6.937 1.00 0.00 C ATOM 83 CD ARG A 5 16.447 -6.623 -6.278 1.00 0.00 C ATOM 84 NE ARG A 5 16.304 -6.717 -4.813 1.00 0.00 N ATOM 85 CZ ARG A 5 17.116 -6.197 -3.880 1.00 0.00 C ATOM 86 NH1 ARG A 5 18.086 -5.337 -4.186 1.00 0.00 N ATOM 87 NH2 ARG A 5 16.948 -6.554 -2.611 1.00 0.00 N ATOM 0 H ARG A 5 11.270 -6.629 -6.845 1.00 0.00 H new ATOM 0 HA ARG A 5 13.194 -4.429 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.737 -6.026 -5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.858 -7.277 -6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.517 -5.756 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.505 -4.714 -6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 5 16.400 -7.624 -6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 5 17.432 -6.221 -6.515 1.00 0.00 H new ATOM 0 HE ARG A 5 15.496 -7.236 -4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.230 -5.054 -5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.685 -4.961 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.211 -7.213 -2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.556 -6.169 -1.888 1.00 0.00 H new ATOM 101 N ILE A 6 13.462 -5.370 -9.828 1.00 0.00 N ATOM 102 CA ILE A 6 13.477 -5.729 -11.238 1.00 0.00 C ATOM 103 C ILE A 6 14.945 -5.742 -11.648 1.00 0.00 C ATOM 104 O ILE A 6 15.722 -4.918 -11.168 1.00 0.00 O ATOM 105 CB ILE A 6 12.607 -4.731 -12.048 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.132 -4.881 -11.619 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.751 -4.893 -13.574 1.00 0.00 C ATOM 108 CD1 ILE A 6 10.114 -4.049 -12.404 1.00 0.00 C ATOM 0 H ILE A 6 14.029 -4.547 -9.625 1.00 0.00 H new ATOM 0 HA ILE A 6 13.041 -6.708 -11.436 1.00 0.00 H new ATOM 0 HB ILE A 6 12.965 -3.727 -11.822 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.855 -5.932 -11.704 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.053 -4.615 -10.565 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.116 -4.165 -14.079 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.790 -4.729 -13.861 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.449 -5.900 -13.863 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.113 -4.236 -12.014 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.352 -2.990 -12.300 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.151 -4.328 -13.457 1.00 0.00 H new ATOM 120 N ILE A 7 15.321 -6.644 -12.548 1.00 0.00 N ATOM 121 CA ILE A 7 16.657 -6.735 -13.123 1.00 0.00 C ATOM 122 C ILE A 7 16.452 -6.608 -14.632 1.00 0.00 C ATOM 123 O ILE A 7 15.479 -7.147 -15.161 1.00 0.00 O ATOM 124 CB ILE A 7 17.346 -8.065 -12.724 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.255 -8.420 -11.220 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.815 -8.078 -13.179 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.971 -7.452 -10.271 1.00 0.00 C ATOM 0 H ILE A 7 14.684 -7.354 -12.908 1.00 0.00 H new ATOM 0 HA ILE A 7 17.322 -5.954 -12.755 1.00 0.00 H new ATOM 0 HB ILE A 7 16.782 -8.838 -13.246 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.203 -8.467 -10.938 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.669 -9.418 -11.074 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.278 -9.021 -12.888 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.861 -7.970 -14.263 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.349 -7.252 -12.709 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.846 -7.791 -9.243 1.00 0.00 H new ATOM 0 HD12 ILE A 7 19.033 -7.421 -10.516 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.544 -6.455 -10.378 1.00 0.00 H new ATOM 139 N VAL A 8 17.340 -5.898 -15.323 1.00 0.00 N ATOM 140 CA VAL A 8 17.210 -5.572 -16.739 1.00 0.00 C ATOM 141 C VAL A 8 18.585 -5.786 -17.376 1.00 0.00 C ATOM 142 O VAL A 8 19.613 -5.506 -16.753 1.00 0.00 O ATOM 143 CB VAL A 8 16.706 -4.117 -16.917 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.199 -3.887 -18.348 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.559 -3.724 -15.971 1.00 0.00 C ATOM 0 H VAL A 8 18.191 -5.524 -14.902 1.00 0.00 H new ATOM 0 HA VAL A 8 16.474 -6.211 -17.227 1.00 0.00 H new ATOM 0 HB VAL A 8 17.574 -3.500 -16.684 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.850 -2.859 -18.450 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.009 -4.067 -19.054 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.377 -4.571 -18.557 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.267 -2.691 -16.162 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.705 -4.380 -16.142 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.890 -3.822 -14.937 1.00 0.00 H new ATOM 155 N ASP A 9 18.610 -6.274 -18.613 1.00 0.00 N ATOM 156 CA ASP A 9 19.822 -6.598 -19.355 1.00 0.00 C ATOM 157 C ASP A 9 19.619 -6.250 -20.829 1.00 0.00 C ATOM 158 O ASP A 9 18.484 -6.249 -21.315 1.00 0.00 O ATOM 159 CB ASP A 9 20.124 -8.093 -19.201 1.00 0.00 C ATOM 160 CG ASP A 9 21.378 -8.500 -19.984 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.395 -7.778 -19.889 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.362 -9.555 -20.655 1.00 0.00 O ATOM 0 H ASP A 9 17.759 -6.460 -19.143 1.00 0.00 H new ATOM 0 HA ASP A 9 20.662 -6.023 -18.966 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.260 -8.330 -18.146 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.271 -8.675 -19.551 1.00 0.00 H new ATOM 167 N GLY A 10 20.706 -5.932 -21.531 1.00 0.00 N ATOM 168 CA GLY A 10 20.705 -5.504 -22.922 1.00 0.00 C ATOM 169 C GLY A 10 21.679 -4.347 -23.114 1.00 0.00 C ATOM 170 O GLY A 10 22.599 -4.165 -22.310 1.00 0.00 O ATOM 0 H GLY A 10 21.643 -5.968 -21.129 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.985 -6.337 -23.567 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.701 -5.197 -23.216 1.00 0.00 H new ATOM 174 N ARG A 11 21.473 -3.533 -24.154 1.00 0.00 N ATOM 175 CA ARG A 11 22.077 -2.203 -24.217 1.00 0.00 C ATOM 176 C ARG A 11 21.310 -1.338 -23.222 1.00 0.00 C ATOM 177 O ARG A 11 20.317 -0.717 -23.601 1.00 0.00 O ATOM 178 CB ARG A 11 22.052 -1.635 -25.652 1.00 0.00 C ATOM 179 CG ARG A 11 22.749 -0.262 -25.718 1.00 0.00 C ATOM 180 CD ARG A 11 22.817 0.316 -27.137 1.00 0.00 C ATOM 181 NE ARG A 11 21.490 0.709 -27.652 1.00 0.00 N ATOM 182 CZ ARG A 11 20.856 0.207 -28.719 1.00 0.00 C ATOM 183 NH1 ARG A 11 21.358 -0.817 -29.406 1.00 0.00 N ATOM 184 NH2 ARG A 11 19.704 0.754 -29.085 1.00 0.00 N ATOM 0 H ARG A 11 20.895 -3.772 -24.959 1.00 0.00 H new ATOM 0 HA ARG A 11 23.134 -2.232 -23.951 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.547 -2.330 -26.330 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.020 -1.539 -25.990 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.219 0.438 -25.073 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.760 -0.356 -25.323 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.476 1.184 -27.141 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.259 -0.423 -27.806 1.00 0.00 H new ATOM 0 HE ARG A 11 21.003 1.444 -27.138 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.244 -1.236 -29.123 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.857 -1.183 -30.216 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.321 1.538 -28.557 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.201 0.390 -29.894 1.00 0.00 H new ATOM 198 N VAL A 12 21.728 -1.345 -21.959 1.00 0.00 N ATOM 199 CA VAL A 12 21.067 -0.622 -20.874 1.00 0.00 C ATOM 200 C VAL A 12 22.089 0.148 -20.015 1.00 0.00 C ATOM 201 O VAL A 12 21.748 0.641 -18.943 1.00 0.00 O ATOM 202 CB VAL A 12 20.149 -1.579 -20.071 1.00 0.00 C ATOM 203 CG1 VAL A 12 18.999 -2.121 -20.934 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.880 -2.770 -19.435 1.00 0.00 C ATOM 0 H VAL A 12 22.552 -1.863 -21.654 1.00 0.00 H new ATOM 0 HA VAL A 12 20.413 0.144 -21.291 1.00 0.00 H new ATOM 0 HB VAL A 12 19.761 -0.959 -19.263 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.378 -2.788 -20.336 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.394 -1.290 -21.297 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.408 -2.670 -21.782 1.00 0.00 H new ATOM 0 HG21 VAL A 12 20.165 -3.388 -18.892 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.355 -3.364 -20.216 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.640 -2.404 -18.745 1.00 0.00 H new ATOM 214 N GLN A 13 23.332 0.297 -20.492 1.00 0.00 N ATOM 215 CA GLN A 13 24.360 1.177 -19.939 1.00 0.00 C ATOM 216 C GLN A 13 25.080 1.839 -21.118 1.00 0.00 C ATOM 217 O GLN A 13 24.936 1.398 -22.264 1.00 0.00 O ATOM 218 CB GLN A 13 25.385 0.419 -19.071 1.00 0.00 C ATOM 219 CG GLN A 13 24.810 -0.358 -17.875 1.00 0.00 C ATOM 220 CD GLN A 13 24.584 -1.847 -18.158 1.00 0.00 C ATOM 221 OE1 GLN A 13 24.309 -2.274 -19.278 1.00 0.00 O ATOM 222 NE2 GLN A 13 24.730 -2.684 -17.149 1.00 0.00 N ATOM 0 H GLN A 13 23.659 -0.217 -21.310 1.00 0.00 H new ATOM 0 HA GLN A 13 23.882 1.910 -19.290 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.924 -0.281 -19.709 1.00 0.00 H new ATOM 0 HB3 GLN A 13 26.115 1.136 -18.696 1.00 0.00 H new ATOM 0 HG2 GLN A 13 25.488 -0.257 -17.028 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.863 0.094 -17.581 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.958 -2.329 -16.221 1.00 0.00 H new ATOM 0 HE22 GLN A 13 24.615 -3.687 -17.297 1.00 0.00 H new ATOM 231 N GLY A 14 25.834 2.909 -20.859 1.00 0.00 N ATOM 232 CA GLY A 14 26.413 3.770 -21.889 1.00 0.00 C ATOM 233 C GLY A 14 25.338 4.721 -22.418 1.00 0.00 C ATOM 234 O GLY A 14 25.508 5.941 -22.371 1.00 0.00 O ATOM 0 H GLY A 14 26.063 3.206 -19.910 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.247 4.339 -21.477 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.811 3.165 -22.703 1.00 0.00 H new ATOM 238 N VAL A 15 24.190 4.169 -22.815 1.00 0.00 N ATOM 239 CA VAL A 15 22.921 4.886 -22.824 1.00 0.00 C ATOM 240 C VAL A 15 22.619 5.357 -21.392 1.00 0.00 C ATOM 241 O VAL A 15 22.971 4.677 -20.422 1.00 0.00 O ATOM 242 CB VAL A 15 21.806 3.988 -23.410 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.073 3.717 -24.899 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.645 2.633 -22.699 1.00 0.00 C ATOM 0 H VAL A 15 24.118 3.205 -23.141 1.00 0.00 H new ATOM 0 HA VAL A 15 22.974 5.766 -23.466 1.00 0.00 H new ATOM 0 HB VAL A 15 20.882 4.546 -23.260 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.282 3.084 -25.301 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.094 4.661 -25.443 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.033 3.213 -25.011 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.843 2.067 -23.172 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.577 2.072 -22.771 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.401 2.799 -21.650 1.00 0.00 H new ATOM 254 N GLY A 16 21.943 6.499 -21.244 1.00 0.00 N ATOM 255 CA GLY A 16 21.662 7.127 -19.952 1.00 0.00 C ATOM 256 C GLY A 16 20.476 6.487 -19.230 1.00 0.00 C ATOM 257 O GLY A 16 19.663 7.197 -18.637 1.00 0.00 O ATOM 0 H GLY A 16 21.569 7.023 -22.035 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.547 7.059 -19.319 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.460 8.187 -20.104 1.00 0.00 H new ATOM 261 N PHE A 17 20.326 5.162 -19.320 1.00 0.00 N ATOM 262 CA PHE A 17 19.108 4.470 -18.921 1.00 0.00 C ATOM 263 C PHE A 17 18.765 4.700 -17.449 1.00 0.00 C ATOM 264 O PHE A 17 17.602 4.925 -17.133 1.00 0.00 O ATOM 265 CB PHE A 17 19.222 2.973 -19.234 1.00 0.00 C ATOM 266 CG PHE A 17 17.985 2.161 -18.885 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.709 2.609 -19.277 1.00 0.00 C ATOM 268 CD2 PHE A 17 18.101 0.969 -18.145 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.562 1.882 -18.925 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.956 0.216 -17.829 1.00 0.00 C ATOM 271 CZ PHE A 17 15.684 0.669 -18.223 1.00 0.00 C ATOM 0 H PHE A 17 21.053 4.541 -19.674 1.00 0.00 H new ATOM 0 HA PHE A 17 18.286 4.890 -19.501 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.433 2.852 -20.296 1.00 0.00 H new ATOM 0 HB3 PHE A 17 20.074 2.565 -18.691 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.613 3.518 -19.852 1.00 0.00 H new ATOM 0 HD2 PHE A 17 19.074 0.631 -17.819 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.584 2.254 -19.193 1.00 0.00 H new ATOM 0 HE2 PHE A 17 17.053 -0.711 -17.283 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.805 0.088 -17.988 1.00 0.00 H new ATOM 281 N ARG A 18 19.747 4.722 -16.539 1.00 0.00 N ATOM 282 CA ARG A 18 19.454 4.967 -15.123 1.00 0.00 C ATOM 283 C ARG A 18 18.784 6.328 -14.908 1.00 0.00 C ATOM 284 O ARG A 18 17.931 6.448 -14.032 1.00 0.00 O ATOM 285 CB ARG A 18 20.708 4.760 -14.253 1.00 0.00 C ATOM 286 CG ARG A 18 21.773 5.856 -14.409 1.00 0.00 C ATOM 287 CD ARG A 18 23.108 5.416 -13.796 1.00 0.00 C ATOM 288 NE ARG A 18 24.145 6.451 -13.966 1.00 0.00 N ATOM 289 CZ ARG A 18 25.469 6.255 -13.893 1.00 0.00 C ATOM 290 NH1 ARG A 18 25.969 5.046 -13.650 1.00 0.00 N ATOM 291 NH2 ARG A 18 26.287 7.288 -14.056 1.00 0.00 N ATOM 0 H ARG A 18 20.734 4.576 -16.753 1.00 0.00 H new ATOM 0 HA ARG A 18 18.726 4.226 -14.794 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.406 4.709 -13.207 1.00 0.00 H new ATOM 0 HB3 ARG A 18 21.154 3.798 -14.503 1.00 0.00 H new ATOM 0 HG2 ARG A 18 21.912 6.085 -15.466 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.431 6.772 -13.926 1.00 0.00 H new ATOM 0 HD2 ARG A 18 22.971 5.206 -12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.437 4.488 -14.264 1.00 0.00 H new ATOM 0 HE ARG A 18 23.826 7.401 -14.156 1.00 0.00 H new ATOM 0 HH11 ARG A 18 25.342 4.252 -13.516 1.00 0.00 H new ATOM 0 HH12 ARG A 18 26.979 4.913 -13.597 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.906 8.217 -14.234 1.00 0.00 H new ATOM 0 HH22 ARG A 18 27.297 7.152 -14.003 1.00 0.00 H new ATOM 305 N TYR A 19 19.108 7.340 -15.719 1.00 0.00 N ATOM 306 CA TYR A 19 18.458 8.642 -15.635 1.00 0.00 C ATOM 307 C TYR A 19 17.039 8.554 -16.205 1.00 0.00 C ATOM 308 O TYR A 19 16.121 9.128 -15.623 1.00 0.00 O ATOM 309 CB TYR A 19 19.278 9.707 -16.380 1.00 0.00 C ATOM 310 CG TYR A 19 20.770 9.690 -16.085 1.00 0.00 C ATOM 311 CD1 TYR A 19 21.238 9.800 -14.761 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.692 9.546 -17.139 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.617 9.744 -14.488 1.00 0.00 C ATOM 314 CE2 TYR A 19 23.072 9.500 -16.878 1.00 0.00 C ATOM 315 CZ TYR A 19 23.541 9.597 -15.548 1.00 0.00 C ATOM 316 OH TYR A 19 24.875 9.537 -15.277 1.00 0.00 O ATOM 0 H TYR A 19 19.822 7.277 -16.444 1.00 0.00 H new ATOM 0 HA TYR A 19 18.397 8.937 -14.587 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.133 9.572 -17.452 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.884 10.691 -16.126 1.00 0.00 H new ATOM 0 HD1 TYR A 19 20.535 9.928 -13.951 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.336 9.470 -18.156 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.970 9.813 -13.470 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.773 9.391 -17.692 1.00 0.00 H new ATOM 0 HH TYR A 19 25.375 9.434 -16.114 1.00 0.00 H new ATOM 326 N PHE A 20 16.830 7.808 -17.299 1.00 0.00 N ATOM 327 CA PHE A 20 15.495 7.562 -17.844 1.00 0.00 C ATOM 328 C PHE A 20 14.607 6.949 -16.759 1.00 0.00 C ATOM 329 O PHE A 20 13.552 7.492 -16.439 1.00 0.00 O ATOM 330 CB PHE A 20 15.565 6.653 -19.084 1.00 0.00 C ATOM 331 CG PHE A 20 14.234 6.448 -19.783 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.756 7.409 -20.695 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.480 5.284 -19.537 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.532 7.206 -21.355 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.261 5.077 -20.206 1.00 0.00 C ATOM 336 CZ PHE A 20 11.785 6.038 -21.115 1.00 0.00 C ATOM 0 H PHE A 20 17.580 7.362 -17.826 1.00 0.00 H new ATOM 0 HA PHE A 20 15.060 8.510 -18.162 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.273 7.080 -19.794 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.959 5.681 -18.786 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.331 8.303 -20.887 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.839 4.548 -18.832 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.164 7.948 -22.048 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.690 4.179 -20.022 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.848 5.880 -21.628 1.00 0.00 H new ATOM 346 N VAL A 21 15.076 5.869 -16.135 1.00 0.00 N ATOM 347 CA VAL A 21 14.380 5.187 -15.053 1.00 0.00 C ATOM 348 C VAL A 21 14.119 6.163 -13.900 1.00 0.00 C ATOM 349 O VAL A 21 13.006 6.181 -13.375 1.00 0.00 O ATOM 350 CB VAL A 21 15.211 3.960 -14.628 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.615 3.231 -13.425 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.311 2.928 -15.759 1.00 0.00 C ATOM 0 H VAL A 21 15.969 5.438 -16.375 1.00 0.00 H new ATOM 0 HA VAL A 21 13.404 4.831 -15.381 1.00 0.00 H new ATOM 0 HB VAL A 21 16.192 4.362 -14.372 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.242 2.376 -13.171 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.567 3.911 -12.575 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.611 2.885 -13.670 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.904 2.077 -15.424 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.312 2.589 -16.032 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.789 3.384 -16.626 1.00 0.00 H new ATOM 362 N GLN A 22 15.098 6.997 -13.525 1.00 0.00 N ATOM 363 CA GLN A 22 14.933 7.976 -12.456 1.00 0.00 C ATOM 364 C GLN A 22 13.735 8.885 -12.737 1.00 0.00 C ATOM 365 O GLN A 22 12.887 9.083 -11.867 1.00 0.00 O ATOM 366 CB GLN A 22 16.232 8.792 -12.275 1.00 0.00 C ATOM 367 CG GLN A 22 16.208 9.718 -11.041 1.00 0.00 C ATOM 368 CD GLN A 22 16.238 8.974 -9.709 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.741 7.751 -9.697 1.00 0.00 O flip ATOM 370 NE2 GLN A 22 15.786 9.480 -8.691 1.00 0.00 N flip ATOM 0 H GLN A 22 16.022 7.008 -13.956 1.00 0.00 H new ATOM 0 HA GLN A 22 14.733 7.449 -11.523 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.074 8.106 -12.188 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.402 9.394 -13.168 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.063 10.393 -11.089 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.311 10.336 -11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.402 10.424 -8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.793 8.957 -7.815 1.00 0.00 H new ATOM 379 N MET A 23 13.659 9.428 -13.951 1.00 0.00 N ATOM 380 CA MET A 23 12.632 10.396 -14.304 1.00 0.00 C ATOM 381 C MET A 23 11.271 9.715 -14.474 1.00 0.00 C ATOM 382 O MET A 23 10.253 10.295 -14.097 1.00 0.00 O ATOM 383 CB MET A 23 13.059 11.159 -15.562 1.00 0.00 C ATOM 384 CG MET A 23 14.331 11.978 -15.281 1.00 0.00 C ATOM 385 SD MET A 23 14.919 12.993 -16.668 1.00 0.00 S ATOM 386 CE MET A 23 15.537 11.711 -17.793 1.00 0.00 C ATOM 0 H MET A 23 14.304 9.209 -14.710 1.00 0.00 H new ATOM 0 HA MET A 23 12.519 11.116 -13.493 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.242 10.458 -16.377 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.255 11.821 -15.885 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.143 12.630 -14.428 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.128 11.294 -14.989 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.965 12.180 -18.679 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.303 11.123 -17.288 1.00 0.00 H new ATOM 0 HE3 MET A 23 14.715 11.059 -18.088 1.00 0.00 H new ATOM 396 N GLU A 24 11.224 8.481 -14.980 1.00 0.00 N ATOM 397 CA GLU A 24 9.973 7.739 -15.107 1.00 0.00 C ATOM 398 C GLU A 24 9.436 7.299 -13.736 1.00 0.00 C ATOM 399 O GLU A 24 8.220 7.243 -13.553 1.00 0.00 O ATOM 400 CB GLU A 24 10.146 6.545 -16.060 1.00 0.00 C ATOM 401 CG GLU A 24 10.386 6.960 -17.526 1.00 0.00 C ATOM 402 CD GLU A 24 9.306 7.899 -18.090 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.103 7.662 -17.848 1.00 0.00 O ATOM 404 OE2 GLU A 24 9.650 8.884 -18.782 1.00 0.00 O ATOM 0 H GLU A 24 12.045 7.974 -15.310 1.00 0.00 H new ATOM 0 HA GLU A 24 9.227 8.406 -15.539 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.985 5.937 -15.720 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.256 5.917 -16.009 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.356 7.451 -17.601 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.434 6.064 -18.144 1.00 0.00 H new ATOM 411 N ALA A 25 10.301 7.045 -12.748 1.00 0.00 N ATOM 412 CA ALA A 25 9.855 6.818 -11.378 1.00 0.00 C ATOM 413 C ALA A 25 9.313 8.118 -10.787 1.00 0.00 C ATOM 414 O ALA A 25 8.248 8.120 -10.168 1.00 0.00 O ATOM 415 CB ALA A 25 11.013 6.321 -10.517 1.00 0.00 C ATOM 0 H ALA A 25 11.312 6.992 -12.876 1.00 0.00 H new ATOM 0 HA ALA A 25 9.069 6.063 -11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.664 6.156 -9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.395 5.385 -10.925 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.809 7.066 -10.512 1.00 0.00 H new ATOM 421 N ASP A 26 10.037 9.225 -10.985 1.00 0.00 N ATOM 422 CA ASP A 26 9.681 10.531 -10.439 1.00 0.00 C ATOM 423 C ASP A 26 8.358 11.040 -11.006 1.00 0.00 C ATOM 424 O ASP A 26 7.543 11.574 -10.252 1.00 0.00 O ATOM 425 CB ASP A 26 10.796 11.549 -10.707 1.00 0.00 C ATOM 426 CG ASP A 26 10.359 12.961 -10.287 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.081 13.184 -9.088 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.269 13.852 -11.158 1.00 0.00 O ATOM 0 H ASP A 26 10.896 9.235 -11.536 1.00 0.00 H new ATOM 0 HA ASP A 26 9.559 10.411 -9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.694 11.264 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.053 11.543 -11.766 1.00 0.00 H new ATOM 433 N LYS A 27 8.078 10.840 -12.299 1.00 0.00 N ATOM 434 CA LYS A 27 6.797 11.259 -12.869 1.00 0.00 C ATOM 435 C LYS A 27 5.629 10.457 -12.282 1.00 0.00 C ATOM 436 O LYS A 27 4.514 10.971 -12.218 1.00 0.00 O ATOM 437 CB LYS A 27 6.855 11.305 -14.413 1.00 0.00 C ATOM 438 CG LYS A 27 6.666 9.982 -15.178 1.00 0.00 C ATOM 439 CD LYS A 27 5.190 9.685 -15.504 1.00 0.00 C ATOM 440 CE LYS A 27 4.973 8.400 -16.322 1.00 0.00 C ATOM 441 NZ LYS A 27 5.507 8.480 -17.703 1.00 0.00 N ATOM 0 H LYS A 27 8.714 10.396 -12.962 1.00 0.00 H new ATOM 0 HA LYS A 27 6.597 12.288 -12.570 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.091 12.003 -14.756 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.820 11.723 -14.700 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.237 10.019 -16.105 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.074 9.163 -14.585 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.632 9.608 -14.571 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.774 10.528 -16.055 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.447 7.566 -15.805 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.906 8.183 -16.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.853 8.004 -18.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.607 9.478 -17.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.436 8.014 -17.743 1.00 0.00 H new ATOM 455 N ARG A 28 5.874 9.226 -11.809 1.00 0.00 N ATOM 456 CA ARG A 28 4.897 8.425 -11.062 1.00 0.00 C ATOM 457 C ARG A 28 4.988 8.658 -9.544 1.00 0.00 C ATOM 458 O ARG A 28 4.216 8.047 -8.805 1.00 0.00 O ATOM 459 CB ARG A 28 5.097 6.929 -11.385 1.00 0.00 C ATOM 460 CG ARG A 28 4.788 6.493 -12.828 1.00 0.00 C ATOM 461 CD ARG A 28 3.417 6.915 -13.379 1.00 0.00 C ATOM 462 NE ARG A 28 2.284 6.538 -12.509 1.00 0.00 N ATOM 463 CZ ARG A 28 1.020 6.330 -12.914 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.708 6.343 -14.208 1.00 0.00 N ATOM 465 NH2 ARG A 28 0.065 6.111 -12.016 1.00 0.00 N ATOM 0 H ARG A 28 6.769 8.754 -11.937 1.00 0.00 H new ATOM 0 HA ARG A 28 3.902 8.742 -11.375 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.132 6.667 -11.163 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.469 6.347 -10.710 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.561 6.897 -13.482 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.861 5.407 -12.882 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.410 7.996 -13.521 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.275 6.463 -14.361 1.00 0.00 H new ATOM 0 HE ARG A 28 2.478 6.426 -11.514 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.433 6.512 -14.906 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.256 6.184 -14.502 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.292 6.101 -11.022 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.895 5.953 -12.321 1.00 0.00 H new ATOM 479 N LYS A 29 5.903 9.514 -9.065 1.00 0.00 N ATOM 480 CA LYS A 29 6.232 9.726 -7.649 1.00 0.00 C ATOM 481 C LYS A 29 6.407 8.405 -6.880 1.00 0.00 C ATOM 482 O LYS A 29 5.989 8.285 -5.726 1.00 0.00 O ATOM 483 CB LYS A 29 5.232 10.715 -7.007 1.00 0.00 C ATOM 484 CG LYS A 29 5.347 12.143 -7.567 1.00 0.00 C ATOM 485 CD LYS A 29 6.571 12.896 -7.014 1.00 0.00 C ATOM 486 CE LYS A 29 6.764 14.248 -7.713 1.00 0.00 C ATOM 487 NZ LYS A 29 7.452 14.106 -9.016 1.00 0.00 N ATOM 0 H LYS A 29 6.459 10.104 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 29 7.213 10.197 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.217 10.350 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.397 10.740 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.412 12.099 -8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.442 12.699 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.449 13.054 -5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.465 12.286 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.793 14.719 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.342 14.910 -7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.241 14.932 -9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.479 14.043 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.120 13.243 -9.491 1.00 0.00 H new ATOM 501 N LEU A 30 7.025 7.407 -7.518 1.00 0.00 N ATOM 502 CA LEU A 30 7.488 6.195 -6.841 1.00 0.00 C ATOM 503 C LEU A 30 8.725 6.528 -5.997 1.00 0.00 C ATOM 504 O LEU A 30 9.344 7.578 -6.188 1.00 0.00 O ATOM 505 CB LEU A 30 7.804 5.101 -7.875 1.00 0.00 C ATOM 506 CG LEU A 30 6.556 4.554 -8.593 1.00 0.00 C ATOM 507 CD1 LEU A 30 6.990 3.583 -9.686 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.584 3.833 -7.653 1.00 0.00 C ATOM 0 H LEU A 30 7.218 7.418 -8.520 1.00 0.00 H new ATOM 0 HA LEU A 30 6.705 5.819 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.494 5.503 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.316 4.278 -7.376 1.00 0.00 H new ATOM 0 HG LEU A 30 6.030 5.414 -9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.110 3.193 -10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.625 4.103 -10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.546 2.758 -9.240 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.727 3.473 -8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.090 2.989 -7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.243 4.524 -6.882 1.00 0.00 H new ATOM 520 N ALA A 31 9.108 5.626 -5.089 1.00 0.00 N ATOM 521 CA ALA A 31 10.284 5.770 -4.233 1.00 0.00 C ATOM 522 C ALA A 31 11.037 4.435 -4.196 1.00 0.00 C ATOM 523 O ALA A 31 10.416 3.384 -4.363 1.00 0.00 O ATOM 524 CB ALA A 31 9.838 6.225 -2.839 1.00 0.00 C ATOM 0 H ALA A 31 8.597 4.758 -4.927 1.00 0.00 H new ATOM 0 HA ALA A 31 10.964 6.527 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.711 6.334 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.322 7.182 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.163 5.483 -2.412 1.00 0.00 H new ATOM 530 N GLY A 32 12.364 4.472 -4.043 1.00 0.00 N ATOM 531 CA GLY A 32 13.240 3.323 -4.259 1.00 0.00 C ATOM 532 C GLY A 32 14.561 3.752 -4.904 1.00 0.00 C ATOM 533 O GLY A 32 15.044 4.861 -4.646 1.00 0.00 O ATOM 0 H GLY A 32 12.865 5.315 -3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.439 2.830 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.739 2.595 -4.897 1.00 0.00 H new ATOM 537 N TRP A 33 15.151 2.903 -5.750 1.00 0.00 N ATOM 538 CA TRP A 33 16.390 3.204 -6.456 1.00 0.00 C ATOM 539 C TRP A 33 16.461 2.574 -7.848 1.00 0.00 C ATOM 540 O TRP A 33 15.713 1.653 -8.181 1.00 0.00 O ATOM 541 CB TRP A 33 17.605 2.773 -5.614 1.00 0.00 C ATOM 542 CG TRP A 33 17.783 1.310 -5.289 1.00 0.00 C ATOM 543 CD1 TRP A 33 17.990 0.294 -6.166 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.848 0.695 -3.965 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.154 -0.895 -5.480 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.114 -0.699 -4.121 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.732 1.175 -2.642 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.274 -1.562 -3.030 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.880 0.314 -1.536 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.154 -1.052 -1.727 1.00 0.00 C ATOM 0 H TRP A 33 14.775 1.979 -5.963 1.00 0.00 H new ATOM 0 HA TRP A 33 16.408 4.284 -6.602 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.502 3.107 -6.135 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.563 3.318 -4.671 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.022 0.399 -7.240 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.288 -1.802 -5.926 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.526 2.222 -2.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.487 -2.609 -3.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.782 0.706 -0.534 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.272 -1.706 -0.876 1.00 0.00 H new ATOM 561 N VAL A 34 17.460 3.001 -8.618 1.00 0.00 N ATOM 562 CA VAL A 34 17.971 2.301 -9.787 1.00 0.00 C ATOM 563 C VAL A 34 19.489 2.239 -9.631 1.00 0.00 C ATOM 564 O VAL A 34 20.091 3.178 -9.105 1.00 0.00 O ATOM 565 CB VAL A 34 17.493 3.000 -11.081 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.793 4.507 -11.138 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.070 2.336 -12.340 1.00 0.00 C ATOM 0 H VAL A 34 17.951 3.876 -8.435 1.00 0.00 H new ATOM 0 HA VAL A 34 17.590 1.283 -9.865 1.00 0.00 H new ATOM 0 HB VAL A 34 16.410 2.882 -11.056 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.424 4.916 -12.079 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.299 5.008 -10.306 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.869 4.667 -11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.708 2.859 -13.225 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.159 2.383 -12.310 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.753 1.294 -12.379 1.00 0.00 H new ATOM 577 N LYS A 35 20.126 1.148 -10.057 1.00 0.00 N ATOM 578 CA LYS A 35 21.579 1.035 -10.017 1.00 0.00 C ATOM 579 C LYS A 35 22.087 0.110 -11.109 1.00 0.00 C ATOM 580 O LYS A 35 21.401 -0.833 -11.498 1.00 0.00 O ATOM 581 CB LYS A 35 22.041 0.569 -8.624 1.00 0.00 C ATOM 582 CG LYS A 35 21.548 -0.821 -8.188 1.00 0.00 C ATOM 583 CD LYS A 35 22.069 -1.147 -6.781 1.00 0.00 C ATOM 584 CE LYS A 35 21.603 -2.542 -6.346 1.00 0.00 C ATOM 585 NZ LYS A 35 22.180 -2.955 -5.042 1.00 0.00 N ATOM 0 H LYS A 35 19.653 0.327 -10.435 1.00 0.00 H new ATOM 0 HA LYS A 35 22.007 2.020 -10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.131 0.571 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.707 1.300 -7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.458 -0.848 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.891 -1.576 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.158 -1.101 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.711 -0.400 -6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.515 -2.553 -6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.882 -3.269 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.834 -3.904 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.218 -2.972 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.893 -2.279 -4.306 1.00 0.00 H new ATOM 599 N ASN A 36 23.312 0.349 -11.573 1.00 0.00 N ATOM 600 CA ASN A 36 24.063 -0.678 -12.287 1.00 0.00 C ATOM 601 C ASN A 36 24.382 -1.812 -11.305 1.00 0.00 C ATOM 602 O ASN A 36 24.576 -1.544 -10.117 1.00 0.00 O ATOM 603 CB ASN A 36 25.356 -0.079 -12.858 1.00 0.00 C ATOM 604 CG ASN A 36 26.123 -1.137 -13.638 1.00 0.00 C ATOM 605 OD1 ASN A 36 25.689 -1.560 -14.703 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.239 -1.610 -13.117 1.00 0.00 N ATOM 0 H ASN A 36 23.801 1.238 -11.468 1.00 0.00 H new ATOM 0 HA ASN A 36 23.475 -1.067 -13.118 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.120 0.763 -13.508 1.00 0.00 H new ATOM 0 HB3 ASN A 36 25.975 0.307 -12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 36 27.758 -2.342 -13.602 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.583 -1.244 -12.229 1.00 0.00 H new ATOM 613 N ARG A 37 24.490 -3.054 -11.782 1.00 0.00 N ATOM 614 CA ARG A 37 25.031 -4.172 -11.012 1.00 0.00 C ATOM 615 C ARG A 37 26.410 -4.487 -11.572 1.00 0.00 C ATOM 616 O ARG A 37 26.587 -4.501 -12.791 1.00 0.00 O ATOM 617 CB ARG A 37 24.115 -5.404 -11.121 1.00 0.00 C ATOM 618 CG ARG A 37 22.905 -5.319 -10.180 1.00 0.00 C ATOM 619 CD ARG A 37 22.106 -6.631 -10.211 1.00 0.00 C ATOM 620 NE ARG A 37 21.262 -6.766 -9.011 1.00 0.00 N ATOM 621 CZ ARG A 37 20.948 -7.892 -8.362 1.00 0.00 C ATOM 622 NH1 ARG A 37 21.343 -9.086 -8.798 1.00 0.00 N ATOM 623 NH2 ARG A 37 20.218 -7.782 -7.262 1.00 0.00 N ATOM 0 H ARG A 37 24.200 -3.313 -12.725 1.00 0.00 H new ATOM 0 HA ARG A 37 25.095 -3.907 -9.957 1.00 0.00 H new ATOM 0 HB2 ARG A 37 23.766 -5.504 -12.149 1.00 0.00 H new ATOM 0 HB3 ARG A 37 24.689 -6.302 -10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 37 23.241 -5.115 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 37 22.264 -4.489 -10.476 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.481 -6.659 -11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 37 22.791 -7.476 -10.275 1.00 0.00 H new ATOM 0 HE ARG A 37 20.873 -5.902 -8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.901 -9.159 -9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.088 -9.928 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 37 19.917 -6.862 -6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 37 19.957 -8.617 -6.738 1.00 0.00 H new ATOM 637 N ASP A 38 27.368 -4.789 -10.696 1.00 0.00 N ATOM 638 CA ASP A 38 28.767 -5.028 -11.070 1.00 0.00 C ATOM 639 C ASP A 38 28.922 -6.178 -12.073 1.00 0.00 C ATOM 640 O ASP A 38 29.842 -6.166 -12.892 1.00 0.00 O ATOM 641 CB ASP A 38 29.594 -5.317 -9.812 1.00 0.00 C ATOM 642 CG ASP A 38 31.064 -5.612 -10.157 1.00 0.00 C ATOM 643 OD1 ASP A 38 31.805 -4.671 -10.522 1.00 0.00 O ATOM 644 OD2 ASP A 38 31.499 -6.777 -10.025 1.00 0.00 O ATOM 0 H ASP A 38 27.195 -4.876 -9.695 1.00 0.00 H new ATOM 0 HA ASP A 38 29.131 -4.125 -11.561 1.00 0.00 H new ATOM 0 HB2 ASP A 38 29.542 -4.462 -9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 38 29.166 -6.168 -9.282 1.00 0.00 H new ATOM 649 N ASP A 39 27.998 -7.147 -12.048 1.00 0.00 N ATOM 650 CA ASP A 39 27.946 -8.252 -13.009 1.00 0.00 C ATOM 651 C ASP A 39 27.792 -7.765 -14.457 1.00 0.00 C ATOM 652 O ASP A 39 28.301 -8.410 -15.374 1.00 0.00 O ATOM 653 CB ASP A 39 26.778 -9.185 -12.664 1.00 0.00 C ATOM 654 CG ASP A 39 26.642 -10.309 -13.702 1.00 0.00 C ATOM 655 OD1 ASP A 39 27.282 -11.373 -13.538 1.00 0.00 O ATOM 656 OD2 ASP A 39 25.887 -10.127 -14.684 1.00 0.00 O ATOM 0 H ASP A 39 27.256 -7.184 -11.349 1.00 0.00 H new ATOM 0 HA ASP A 39 28.895 -8.784 -12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.933 -9.616 -11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.852 -8.612 -12.620 1.00 0.00 H new ATOM 661 N GLY A 40 27.110 -6.632 -14.663 1.00 0.00 N ATOM 662 CA GLY A 40 26.834 -6.049 -15.972 1.00 0.00 C ATOM 663 C GLY A 40 25.339 -5.894 -16.268 1.00 0.00 C ATOM 664 O GLY A 40 24.993 -5.483 -17.376 1.00 0.00 O ATOM 0 H GLY A 40 26.725 -6.082 -13.895 1.00 0.00 H new ATOM 0 HA2 GLY A 40 27.312 -5.071 -16.034 1.00 0.00 H new ATOM 0 HA3 GLY A 40 27.286 -6.674 -16.742 1.00 0.00 H new ATOM 668 N ARG A 41 24.440 -6.214 -15.328 1.00 0.00 N ATOM 669 CA ARG A 41 23.007 -5.930 -15.472 1.00 0.00 C ATOM 670 C ARG A 41 22.697 -4.553 -14.879 1.00 0.00 C ATOM 671 O ARG A 41 23.579 -3.889 -14.332 1.00 0.00 O ATOM 672 CB ARG A 41 22.148 -7.028 -14.802 1.00 0.00 C ATOM 673 CG ARG A 41 22.263 -8.484 -15.301 1.00 0.00 C ATOM 674 CD ARG A 41 22.820 -8.719 -16.718 1.00 0.00 C ATOM 675 NE ARG A 41 24.244 -9.077 -16.677 1.00 0.00 N ATOM 676 CZ ARG A 41 25.129 -9.055 -17.675 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.812 -8.645 -18.900 1.00 0.00 N ATOM 678 NH2 ARG A 41 26.360 -9.458 -17.400 1.00 0.00 N ATOM 0 H ARG A 41 24.684 -6.674 -14.451 1.00 0.00 H new ATOM 0 HA ARG A 41 22.755 -5.925 -16.532 1.00 0.00 H new ATOM 0 HB2 ARG A 41 22.385 -7.026 -13.738 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.104 -6.731 -14.896 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.894 -9.029 -14.599 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.271 -8.933 -15.253 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.256 -9.514 -17.206 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.686 -7.819 -17.318 1.00 0.00 H new ATOM 0 HE ARG A 41 24.601 -9.381 -15.771 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.863 -8.332 -19.103 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.518 -8.643 -19.636 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.597 -9.767 -16.457 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.072 -9.459 -18.131 1.00 0.00 H new ATOM 692 N VAL A 42 21.434 -4.144 -14.924 1.00 0.00 N ATOM 693 CA VAL A 42 20.901 -3.003 -14.191 1.00 0.00 C ATOM 694 C VAL A 42 19.819 -3.563 -13.266 1.00 0.00 C ATOM 695 O VAL A 42 19.203 -4.587 -13.569 1.00 0.00 O ATOM 696 CB VAL A 42 20.385 -1.948 -15.199 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.639 -0.768 -14.554 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.559 -1.367 -16.003 1.00 0.00 C ATOM 0 H VAL A 42 20.729 -4.614 -15.492 1.00 0.00 H new ATOM 0 HA VAL A 42 21.646 -2.487 -13.585 1.00 0.00 H new ATOM 0 HB VAL A 42 19.678 -2.484 -15.832 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.312 -0.076 -15.330 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.771 -1.140 -14.010 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.305 -0.250 -13.864 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.185 -0.626 -16.709 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.268 -0.895 -15.323 1.00 0.00 H new ATOM 0 HG23 VAL A 42 22.058 -2.168 -16.548 1.00 0.00 H new ATOM 708 N GLU A 43 19.584 -2.898 -12.140 1.00 0.00 N ATOM 709 CA GLU A 43 18.563 -3.230 -11.165 1.00 0.00 C ATOM 710 C GLU A 43 17.709 -1.984 -10.948 1.00 0.00 C ATOM 711 O GLU A 43 18.223 -0.865 -10.900 1.00 0.00 O ATOM 712 CB GLU A 43 19.228 -3.701 -9.859 1.00 0.00 C ATOM 713 CG GLU A 43 18.237 -3.801 -8.684 1.00 0.00 C ATOM 714 CD GLU A 43 18.894 -4.190 -7.363 1.00 0.00 C ATOM 715 OE1 GLU A 43 19.767 -5.083 -7.342 1.00 0.00 O ATOM 716 OE2 GLU A 43 18.503 -3.622 -6.319 1.00 0.00 O ATOM 0 H GLU A 43 20.127 -2.076 -11.874 1.00 0.00 H new ATOM 0 HA GLU A 43 17.928 -4.044 -11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.689 -4.675 -10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.028 -3.010 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.734 -2.842 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.469 -4.535 -8.928 1.00 0.00 H new ATOM 723 N ILE A 44 16.417 -2.207 -10.742 1.00 0.00 N ATOM 724 CA ILE A 44 15.441 -1.236 -10.286 1.00 0.00 C ATOM 725 C ILE A 44 14.888 -1.817 -8.983 1.00 0.00 C ATOM 726 O ILE A 44 14.741 -3.036 -8.860 1.00 0.00 O ATOM 727 CB ILE A 44 14.290 -1.055 -11.312 1.00 0.00 C ATOM 728 CG1 ILE A 44 14.567 -1.471 -12.777 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.755 0.381 -11.234 1.00 0.00 C ATOM 730 CD1 ILE A 44 15.560 -0.608 -13.561 1.00 0.00 C ATOM 0 H ILE A 44 16.002 -3.126 -10.899 1.00 0.00 H new ATOM 0 HA ILE A 44 15.894 -0.253 -10.156 1.00 0.00 H new ATOM 0 HB ILE A 44 13.537 -1.780 -11.003 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.935 -2.497 -12.776 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.619 -1.473 -13.315 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.947 0.508 -11.954 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.379 0.575 -10.229 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.558 1.081 -11.463 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.667 -1.003 -14.571 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.192 0.417 -13.609 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.529 -0.623 -13.061 1.00 0.00 H new ATOM 742 N LEU A 45 14.510 -0.971 -8.034 1.00 0.00 N ATOM 743 CA LEU A 45 13.743 -1.376 -6.862 1.00 0.00 C ATOM 744 C LEU A 45 12.808 -0.216 -6.577 1.00 0.00 C ATOM 745 O LEU A 45 13.273 0.918 -6.494 1.00 0.00 O ATOM 746 CB LEU A 45 14.695 -1.683 -5.692 1.00 0.00 C ATOM 747 CG LEU A 45 14.083 -2.581 -4.597 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.186 -2.993 -3.619 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.951 -1.926 -3.795 1.00 0.00 C ATOM 0 H LEU A 45 14.729 0.025 -8.056 1.00 0.00 H new ATOM 0 HA LEU A 45 13.170 -2.290 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.590 -2.166 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.012 -0.743 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 45 13.646 -3.433 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.763 -3.628 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.961 -3.542 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.620 -2.103 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.581 -2.628 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.328 -1.032 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.139 -1.651 -4.469 1.00 0.00 H new ATOM 761 N ALA A 46 11.505 -0.463 -6.469 1.00 0.00 N ATOM 762 CA ALA A 46 10.527 0.582 -6.229 1.00 0.00 C ATOM 763 C ALA A 46 9.438 0.065 -5.300 1.00 0.00 C ATOM 764 O ALA A 46 9.162 -1.135 -5.262 1.00 0.00 O ATOM 765 CB ALA A 46 9.914 1.041 -7.558 1.00 0.00 C ATOM 0 H ALA A 46 11.102 -1.397 -6.546 1.00 0.00 H new ATOM 0 HA ALA A 46 11.020 1.432 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.181 1.825 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.700 1.427 -8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.425 0.197 -8.044 1.00 0.00 H new ATOM 771 N GLU A 47 8.782 0.992 -4.616 1.00 0.00 N ATOM 772 CA GLU A 47 7.545 0.788 -3.886 1.00 0.00 C ATOM 773 C GLU A 47 6.591 1.945 -4.189 1.00 0.00 C ATOM 774 O GLU A 47 7.028 3.043 -4.559 1.00 0.00 O ATOM 775 CB GLU A 47 7.818 0.649 -2.379 1.00 0.00 C ATOM 776 CG GLU A 47 8.548 1.862 -1.775 1.00 0.00 C ATOM 777 CD GLU A 47 8.627 1.817 -0.245 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.589 0.717 0.345 1.00 0.00 O ATOM 779 OE2 GLU A 47 8.777 2.893 0.372 1.00 0.00 O ATOM 0 H GLU A 47 9.117 1.953 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 47 7.076 -0.142 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.871 0.507 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.414 -0.247 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.557 1.911 -2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.036 2.775 -2.080 1.00 0.00 H new ATOM 786 N GLY A 48 5.289 1.691 -4.046 1.00 0.00 N ATOM 787 CA GLY A 48 4.242 2.665 -4.323 1.00 0.00 C ATOM 788 C GLY A 48 2.907 1.986 -4.629 1.00 0.00 C ATOM 789 O GLY A 48 2.751 0.792 -4.344 1.00 0.00 O ATOM 0 H GLY A 48 4.932 0.789 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.125 3.328 -3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.537 3.286 -5.169 1.00 0.00 H new ATOM 793 N PRO A 49 1.926 2.733 -5.165 1.00 0.00 N ATOM 794 CA PRO A 49 0.661 2.185 -5.644 1.00 0.00 C ATOM 795 C PRO A 49 0.892 1.116 -6.713 1.00 0.00 C ATOM 796 O PRO A 49 1.768 1.268 -7.567 1.00 0.00 O ATOM 797 CB PRO A 49 -0.122 3.374 -6.214 1.00 0.00 C ATOM 798 CG PRO A 49 0.500 4.590 -5.532 1.00 0.00 C ATOM 799 CD PRO A 49 1.957 4.177 -5.345 1.00 0.00 C ATOM 0 HA PRO A 49 0.112 1.696 -4.840 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.025 3.432 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.186 3.294 -5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.411 5.486 -6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.018 4.808 -4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.558 4.453 -6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.398 4.672 -4.480 1.00 0.00 H new ATOM 807 N GLU A 50 0.074 0.063 -6.716 1.00 0.00 N ATOM 808 CA GLU A 50 0.198 -1.038 -7.669 1.00 0.00 C ATOM 809 C GLU A 50 0.079 -0.560 -9.123 1.00 0.00 C ATOM 810 O GLU A 50 0.874 -0.969 -9.967 1.00 0.00 O ATOM 811 CB GLU A 50 -0.776 -2.178 -7.318 1.00 0.00 C ATOM 812 CG GLU A 50 -2.259 -1.962 -7.661 1.00 0.00 C ATOM 813 CD GLU A 50 -2.902 -0.787 -6.902 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.374 -0.984 -5.758 1.00 0.00 O ATOM 815 OE2 GLU A 50 -2.939 0.338 -7.447 1.00 0.00 O ATOM 0 H GLU A 50 -0.695 -0.050 -6.055 1.00 0.00 H new ATOM 0 HA GLU A 50 1.204 -1.449 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.439 -3.080 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.701 -2.370 -6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.354 -1.787 -8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.812 -2.874 -7.437 1.00 0.00 H new ATOM 822 N ASN A 51 -0.858 0.345 -9.427 1.00 0.00 N ATOM 823 CA ASN A 51 -1.046 0.849 -10.788 1.00 0.00 C ATOM 824 C ASN A 51 0.144 1.698 -11.237 1.00 0.00 C ATOM 825 O ASN A 51 0.571 1.615 -12.391 1.00 0.00 O ATOM 826 CB ASN A 51 -2.342 1.668 -10.871 1.00 0.00 C ATOM 827 CG ASN A 51 -2.578 2.198 -12.286 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.527 1.455 -13.261 1.00 0.00 O ATOM 829 ND2 ASN A 51 -2.858 3.483 -12.430 1.00 0.00 N ATOM 0 H ASN A 51 -1.500 0.744 -8.743 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.118 -0.008 -11.458 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.186 1.048 -10.568 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.292 2.503 -10.172 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.034 3.866 -13.359 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.898 4.091 -11.612 1.00 0.00 H new ATOM 836 N ALA A 52 0.709 2.495 -10.324 1.00 0.00 N ATOM 837 CA ALA A 52 1.899 3.289 -10.599 1.00 0.00 C ATOM 838 C ALA A 52 3.091 2.370 -10.871 1.00 0.00 C ATOM 839 O ALA A 52 3.829 2.588 -11.829 1.00 0.00 O ATOM 840 CB ALA A 52 2.185 4.223 -9.417 1.00 0.00 C ATOM 0 H ALA A 52 0.350 2.604 -9.375 1.00 0.00 H new ATOM 0 HA ALA A 52 1.730 3.898 -11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.076 4.814 -9.628 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.335 4.889 -9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.347 3.631 -8.516 1.00 0.00 H new ATOM 846 N LEU A 53 3.250 1.324 -10.057 1.00 0.00 N ATOM 847 CA LEU A 53 4.305 0.334 -10.208 1.00 0.00 C ATOM 848 C LEU A 53 4.171 -0.391 -11.545 1.00 0.00 C ATOM 849 O LEU A 53 5.164 -0.506 -12.259 1.00 0.00 O ATOM 850 CB LEU A 53 4.250 -0.655 -9.032 1.00 0.00 C ATOM 851 CG LEU A 53 4.841 -0.097 -7.725 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.428 -1.002 -6.566 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.372 -0.008 -7.760 1.00 0.00 C ATOM 0 H LEU A 53 2.636 1.143 -9.263 1.00 0.00 H new ATOM 0 HA LEU A 53 5.274 0.833 -10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.213 -0.941 -8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.789 -1.562 -9.306 1.00 0.00 H new ATOM 0 HG LEU A 53 4.454 0.914 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.843 -0.614 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.341 -1.029 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.806 -2.010 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.735 0.392 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.791 -1.002 -7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.680 0.649 -8.573 1.00 0.00 H new ATOM 865 N GLN A 54 2.972 -0.843 -11.926 1.00 0.00 N ATOM 866 CA GLN A 54 2.762 -1.510 -13.210 1.00 0.00 C ATOM 867 C GLN A 54 3.101 -0.568 -14.369 1.00 0.00 C ATOM 868 O GLN A 54 3.820 -0.963 -15.289 1.00 0.00 O ATOM 869 CB GLN A 54 1.317 -2.026 -13.319 1.00 0.00 C ATOM 870 CG GLN A 54 1.045 -3.257 -12.437 1.00 0.00 C ATOM 871 CD GLN A 54 1.813 -4.495 -12.907 1.00 0.00 C ATOM 872 OE1 GLN A 54 2.864 -4.838 -12.370 1.00 0.00 O ATOM 873 NE2 GLN A 54 1.322 -5.188 -13.922 1.00 0.00 N ATOM 0 H GLN A 54 2.129 -0.757 -11.358 1.00 0.00 H new ATOM 0 HA GLN A 54 3.432 -2.368 -13.269 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.631 -1.227 -13.038 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.105 -2.278 -14.358 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.322 -3.031 -11.407 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.023 -3.473 -12.440 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.449 -4.898 -14.363 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.816 -6.012 -14.263 1.00 0.00 H new ATOM 882 N SER A 55 2.654 0.690 -14.302 1.00 0.00 N ATOM 883 CA SER A 55 2.986 1.698 -15.307 1.00 0.00 C ATOM 884 C SER A 55 4.507 1.886 -15.405 1.00 0.00 C ATOM 885 O SER A 55 5.058 2.035 -16.496 1.00 0.00 O ATOM 886 CB SER A 55 2.286 3.020 -14.963 1.00 0.00 C ATOM 887 OG SER A 55 0.887 2.841 -14.811 1.00 0.00 O ATOM 0 H SER A 55 2.055 1.035 -13.552 1.00 0.00 H new ATOM 0 HA SER A 55 2.633 1.360 -16.281 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.704 3.426 -14.042 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.478 3.750 -15.749 1.00 0.00 H new ATOM 0 HG SER A 55 0.695 2.519 -13.906 1.00 0.00 H new ATOM 893 N PHE A 56 5.209 1.831 -14.271 1.00 0.00 N ATOM 894 CA PHE A 56 6.653 1.917 -14.245 1.00 0.00 C ATOM 895 C PHE A 56 7.307 0.653 -14.821 1.00 0.00 C ATOM 896 O PHE A 56 8.334 0.795 -15.477 1.00 0.00 O ATOM 897 CB PHE A 56 7.108 2.271 -12.827 1.00 0.00 C ATOM 898 CG PHE A 56 8.592 2.527 -12.637 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.284 3.415 -13.486 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.267 1.940 -11.549 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.643 3.691 -13.254 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.618 2.226 -11.312 1.00 0.00 C ATOM 903 CZ PHE A 56 11.304 3.103 -12.163 1.00 0.00 C ATOM 0 H PHE A 56 4.783 1.725 -13.350 1.00 0.00 H new ATOM 0 HA PHE A 56 6.991 2.719 -14.901 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.564 3.160 -12.506 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.814 1.460 -12.161 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.771 3.883 -14.313 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.739 1.264 -10.892 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.179 4.356 -13.915 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.129 1.772 -10.476 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.344 3.327 -11.979 1.00 0.00 H new ATOM 913 N VAL A 57 6.719 -0.551 -14.708 1.00 0.00 N ATOM 914 CA VAL A 57 7.228 -1.703 -15.466 1.00 0.00 C ATOM 915 C VAL A 57 7.086 -1.422 -16.963 1.00 0.00 C ATOM 916 O VAL A 57 8.037 -1.663 -17.702 1.00 0.00 O ATOM 917 CB VAL A 57 6.558 -3.052 -15.114 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.348 -4.216 -15.740 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.488 -3.315 -13.608 1.00 0.00 C ATOM 0 H VAL A 57 5.912 -0.748 -14.115 1.00 0.00 H new ATOM 0 HA VAL A 57 8.275 -1.817 -15.184 1.00 0.00 H new ATOM 0 HB VAL A 57 5.544 -2.989 -15.508 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.867 -5.161 -15.486 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.369 -4.100 -16.824 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.368 -4.213 -15.355 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.007 -4.277 -13.429 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.496 -3.330 -13.194 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.910 -2.525 -13.127 1.00 0.00 H new ATOM 929 N GLU A 58 5.946 -0.889 -17.419 1.00 0.00 N ATOM 930 CA GLU A 58 5.743 -0.578 -18.833 1.00 0.00 C ATOM 931 C GLU A 58 6.805 0.420 -19.320 1.00 0.00 C ATOM 932 O GLU A 58 7.312 0.281 -20.435 1.00 0.00 O ATOM 933 CB GLU A 58 4.325 -0.038 -19.100 1.00 0.00 C ATOM 934 CG GLU A 58 3.188 -1.021 -18.777 1.00 0.00 C ATOM 935 CD GLU A 58 3.199 -2.255 -19.689 1.00 0.00 C ATOM 936 OE1 GLU A 58 2.715 -2.171 -20.840 1.00 0.00 O ATOM 937 OE2 GLU A 58 3.691 -3.326 -19.268 1.00 0.00 O ATOM 0 H GLU A 58 5.149 -0.665 -16.824 1.00 0.00 H new ATOM 0 HA GLU A 58 5.850 -1.506 -19.395 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.180 0.868 -18.512 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.252 0.248 -20.149 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.273 -1.340 -17.738 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.231 -0.509 -18.876 1.00 0.00 H new ATOM 944 N ALA A 59 7.180 1.394 -18.481 1.00 0.00 N ATOM 945 CA ALA A 59 8.259 2.322 -18.783 1.00 0.00 C ATOM 946 C ALA A 59 9.620 1.609 -18.831 1.00 0.00 C ATOM 947 O ALA A 59 10.358 1.755 -19.804 1.00 0.00 O ATOM 948 CB ALA A 59 8.272 3.462 -17.758 1.00 0.00 C ATOM 0 H ALA A 59 6.739 1.555 -17.575 1.00 0.00 H new ATOM 0 HA ALA A 59 8.081 2.742 -19.773 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.083 4.152 -17.992 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.321 3.994 -17.793 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.421 3.052 -16.759 1.00 0.00 H new ATOM 954 N VAL A 60 9.961 0.834 -17.798 1.00 0.00 N ATOM 955 CA VAL A 60 11.258 0.179 -17.656 1.00 0.00 C ATOM 956 C VAL A 60 11.476 -0.832 -18.784 1.00 0.00 C ATOM 957 O VAL A 60 12.560 -0.862 -19.367 1.00 0.00 O ATOM 958 CB VAL A 60 11.348 -0.467 -16.253 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.490 -1.483 -16.102 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.551 0.610 -15.172 1.00 0.00 C ATOM 0 H VAL A 60 9.327 0.642 -17.022 1.00 0.00 H new ATOM 0 HA VAL A 60 12.060 0.913 -17.740 1.00 0.00 H new ATOM 0 HB VAL A 60 10.402 -0.994 -16.130 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.484 -1.889 -15.091 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.354 -2.292 -16.819 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.444 -0.989 -16.289 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.612 0.136 -14.193 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.475 1.154 -15.370 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.711 1.304 -15.187 1.00 0.00 H new ATOM 970 N LYS A 61 10.474 -1.654 -19.116 1.00 0.00 N ATOM 971 CA LYS A 61 10.648 -2.753 -20.065 1.00 0.00 C ATOM 972 C LYS A 61 10.954 -2.258 -21.482 1.00 0.00 C ATOM 973 O LYS A 61 11.539 -3.002 -22.267 1.00 0.00 O ATOM 974 CB LYS A 61 9.443 -3.714 -20.009 1.00 0.00 C ATOM 975 CG LYS A 61 8.186 -3.204 -20.731 1.00 0.00 C ATOM 976 CD LYS A 61 7.036 -4.214 -20.622 1.00 0.00 C ATOM 977 CE LYS A 61 5.951 -3.882 -21.656 1.00 0.00 C ATOM 978 NZ LYS A 61 4.723 -4.681 -21.445 1.00 0.00 N ATOM 0 H LYS A 61 9.530 -1.576 -18.738 1.00 0.00 H new ATOM 0 HA LYS A 61 11.528 -3.321 -19.764 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.735 -4.669 -20.446 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.195 -3.904 -18.965 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.878 -2.251 -20.302 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.415 -3.022 -21.781 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.411 -5.224 -20.786 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.613 -4.190 -19.618 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.708 -2.821 -21.599 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.336 -4.067 -22.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.041 -4.476 -22.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.961 -5.693 -21.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.303 -4.435 -20.526 1.00 0.00 H new ATOM 992 N ASN A 62 10.590 -1.011 -21.811 1.00 0.00 N ATOM 993 CA ASN A 62 10.960 -0.385 -23.080 1.00 0.00 C ATOM 994 C ASN A 62 12.473 -0.154 -23.172 1.00 0.00 C ATOM 995 O ASN A 62 13.022 -0.110 -24.273 1.00 0.00 O ATOM 996 CB ASN A 62 10.240 0.965 -23.232 1.00 0.00 C ATOM 997 CG ASN A 62 10.516 1.596 -24.595 1.00 0.00 C ATOM 998 OD1 ASN A 62 9.958 1.185 -25.607 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.363 2.611 -24.649 1.00 0.00 N ATOM 0 H ASN A 62 10.032 -0.412 -21.203 1.00 0.00 H new ATOM 0 HA ASN A 62 10.660 -1.063 -23.880 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.167 0.822 -23.107 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.566 1.643 -22.443 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.560 3.064 -25.541 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.819 2.941 -23.798 1.00 0.00 H new ATOM 1006 N GLY A 63 13.145 0.022 -22.031 1.00 0.00 N ATOM 1007 CA GLY A 63 14.407 0.740 -21.969 1.00 0.00 C ATOM 1008 C GLY A 63 14.150 2.236 -22.169 1.00 0.00 C ATOM 1009 O GLY A 63 13.001 2.655 -22.344 1.00 0.00 O ATOM 0 H GLY A 63 12.825 -0.331 -21.129 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.889 0.568 -21.007 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.087 0.370 -22.737 1.00 0.00 H new ATOM 1013 N SER A 64 15.196 3.064 -22.191 1.00 0.00 N ATOM 1014 CA SER A 64 15.048 4.361 -22.839 1.00 0.00 C ATOM 1015 C SER A 64 14.838 4.120 -24.344 1.00 0.00 C ATOM 1016 O SER A 64 15.249 3.072 -24.853 1.00 0.00 O ATOM 1017 CB SER A 64 16.267 5.248 -22.568 1.00 0.00 C ATOM 1018 OG SER A 64 17.433 4.726 -23.181 1.00 0.00 O ATOM 0 H SER A 64 16.113 2.871 -21.787 1.00 0.00 H new ATOM 0 HA SER A 64 14.186 4.891 -22.435 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.077 6.254 -22.942 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.426 5.332 -21.493 1.00 0.00 H new ATOM 0 HG SER A 64 18.194 5.314 -22.991 1.00 0.00 H new ATOM 1024 N PRO A 65 14.289 5.085 -25.095 1.00 0.00 N ATOM 1025 CA PRO A 65 14.345 5.099 -26.554 1.00 0.00 C ATOM 1026 C PRO A 65 15.736 4.807 -27.151 1.00 0.00 C ATOM 1027 O PRO A 65 15.816 4.315 -28.279 1.00 0.00 O ATOM 1028 CB PRO A 65 13.840 6.489 -26.949 1.00 0.00 C ATOM 1029 CG PRO A 65 12.850 6.827 -25.833 1.00 0.00 C ATOM 1030 CD PRO A 65 13.469 6.176 -24.597 1.00 0.00 C ATOM 0 HA PRO A 65 13.736 4.290 -26.958 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.653 7.214 -27.001 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.358 6.480 -27.927 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.740 7.904 -25.707 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.858 6.428 -26.042 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.069 6.893 -24.037 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.697 5.808 -23.920 1.00 0.00 H new ATOM 1038 N PHE A 66 16.826 5.090 -26.422 1.00 0.00 N ATOM 1039 CA PHE A 66 18.191 4.803 -26.861 1.00 0.00 C ATOM 1040 C PHE A 66 18.625 3.378 -26.493 1.00 0.00 C ATOM 1041 O PHE A 66 19.494 2.810 -27.161 1.00 0.00 O ATOM 1042 CB PHE A 66 19.155 5.815 -26.222 1.00 0.00 C ATOM 1043 CG PHE A 66 18.761 7.269 -26.426 1.00 0.00 C ATOM 1044 CD1 PHE A 66 18.956 7.882 -27.678 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.177 8.001 -25.373 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.568 9.220 -27.877 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.788 9.338 -25.573 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.984 9.949 -26.825 1.00 0.00 C ATOM 0 H PHE A 66 16.779 5.529 -25.502 1.00 0.00 H new ATOM 0 HA PHE A 66 18.218 4.887 -27.947 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.217 5.614 -25.152 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.152 5.660 -26.634 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.404 7.325 -28.487 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.028 7.535 -24.410 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.719 9.688 -28.839 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.339 9.896 -24.765 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.687 10.976 -26.978 1.00 0.00 H new ATOM 1058 N SER A 67 18.055 2.793 -25.440 1.00 0.00 N ATOM 1059 CA SER A 67 18.393 1.458 -24.964 1.00 0.00 C ATOM 1060 C SER A 67 17.894 0.375 -25.933 1.00 0.00 C ATOM 1061 O SER A 67 17.116 0.641 -26.853 1.00 0.00 O ATOM 1062 CB SER A 67 17.746 1.242 -23.591 1.00 0.00 C ATOM 1063 OG SER A 67 18.160 2.197 -22.631 1.00 0.00 O ATOM 0 H SER A 67 17.330 3.246 -24.884 1.00 0.00 H new ATOM 0 HA SER A 67 19.478 1.380 -24.896 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.662 1.285 -23.695 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.992 0.243 -23.232 1.00 0.00 H new ATOM 0 HG SER A 67 17.778 3.072 -22.854 1.00 0.00 H new ATOM 1069 N LYS A 68 18.284 -0.872 -25.664 1.00 0.00 N ATOM 1070 CA LYS A 68 17.630 -2.070 -26.177 1.00 0.00 C ATOM 1071 C LYS A 68 17.669 -3.084 -25.042 1.00 0.00 C ATOM 1072 O LYS A 68 18.704 -3.712 -24.826 1.00 0.00 O ATOM 1073 CB LYS A 68 18.316 -2.581 -27.460 1.00 0.00 C ATOM 1074 CG LYS A 68 17.627 -3.855 -27.989 1.00 0.00 C ATOM 1075 CD LYS A 68 18.271 -4.423 -29.262 1.00 0.00 C ATOM 1076 CE LYS A 68 18.016 -3.531 -30.487 1.00 0.00 C ATOM 1077 NZ LYS A 68 18.558 -4.125 -31.735 1.00 0.00 N ATOM 0 H LYS A 68 19.085 -1.079 -25.067 1.00 0.00 H new ATOM 0 HA LYS A 68 16.600 -1.873 -26.474 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.288 -1.805 -28.225 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.366 -2.790 -27.256 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.647 -4.618 -27.211 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.579 -3.633 -28.191 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.345 -4.528 -29.108 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.877 -5.421 -29.453 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.944 -3.369 -30.599 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.471 -2.554 -30.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.363 -3.490 -32.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.585 -4.256 -31.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.106 -5.046 -31.906 1.00 0.00 H new ATOM 1091 N VAL A 69 16.578 -3.208 -24.289 1.00 0.00 N ATOM 1092 CA VAL A 69 16.409 -4.313 -23.349 1.00 0.00 C ATOM 1093 C VAL A 69 16.354 -5.599 -24.181 1.00 0.00 C ATOM 1094 O VAL A 69 15.653 -5.643 -25.197 1.00 0.00 O ATOM 1095 CB VAL A 69 15.126 -4.111 -22.509 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.899 -5.258 -21.510 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.177 -2.788 -21.729 1.00 0.00 C ATOM 0 H VAL A 69 15.795 -2.554 -24.312 1.00 0.00 H new ATOM 0 HA VAL A 69 17.235 -4.366 -22.640 1.00 0.00 H new ATOM 0 HB VAL A 69 14.299 -4.093 -23.219 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.987 -5.072 -20.943 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.804 -6.199 -22.052 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.745 -5.317 -20.826 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.262 -2.673 -21.148 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.035 -2.795 -21.057 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.270 -1.957 -22.428 1.00 0.00 H new ATOM 1107 N THR A 70 17.059 -6.641 -23.747 1.00 0.00 N ATOM 1108 CA THR A 70 17.023 -7.963 -24.362 1.00 0.00 C ATOM 1109 C THR A 70 16.499 -9.010 -23.368 1.00 0.00 C ATOM 1110 O THR A 70 16.017 -10.061 -23.797 1.00 0.00 O ATOM 1111 CB THR A 70 18.413 -8.309 -24.928 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.407 -8.244 -23.925 1.00 0.00 O ATOM 1113 CG2 THR A 70 18.828 -7.332 -26.037 1.00 0.00 C ATOM 0 H THR A 70 17.683 -6.588 -22.942 1.00 0.00 H new ATOM 0 HA THR A 70 16.324 -7.963 -25.198 1.00 0.00 H new ATOM 0 HB THR A 70 18.334 -9.321 -25.324 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.278 -8.470 -24.313 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.814 -7.606 -26.413 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.104 -7.376 -26.850 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.862 -6.319 -25.636 1.00 0.00 H new ATOM 1121 N ASP A 71 16.522 -8.724 -22.058 1.00 0.00 N ATOM 1122 CA ASP A 71 15.922 -9.564 -21.023 1.00 0.00 C ATOM 1123 C ASP A 71 15.578 -8.701 -19.808 1.00 0.00 C ATOM 1124 O ASP A 71 16.243 -7.697 -19.543 1.00 0.00 O ATOM 1125 CB ASP A 71 16.891 -10.687 -20.623 1.00 0.00 C ATOM 1126 CG ASP A 71 16.304 -11.581 -19.520 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.176 -12.094 -19.696 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.981 -11.797 -18.492 1.00 0.00 O ATOM 0 H ASP A 71 16.968 -7.885 -21.686 1.00 0.00 H new ATOM 0 HA ASP A 71 15.011 -10.019 -21.410 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.124 -11.294 -21.497 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.829 -10.252 -20.278 1.00 0.00 H new ATOM 1133 N ILE A 72 14.538 -9.089 -19.072 1.00 0.00 N ATOM 1134 CA ILE A 72 14.052 -8.418 -17.872 1.00 0.00 C ATOM 1135 C ILE A 72 13.463 -9.487 -16.936 1.00 0.00 C ATOM 1136 O ILE A 72 12.882 -10.471 -17.404 1.00 0.00 O ATOM 1137 CB ILE A 72 13.059 -7.289 -18.261 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.521 -6.560 -17.009 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.903 -7.774 -19.163 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.802 -5.241 -17.316 1.00 0.00 C ATOM 0 H ILE A 72 13.989 -9.916 -19.308 1.00 0.00 H new ATOM 0 HA ILE A 72 14.855 -7.919 -17.330 1.00 0.00 H new ATOM 0 HB ILE A 72 13.631 -6.577 -18.857 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.834 -7.223 -16.483 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.352 -6.360 -16.333 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.247 -6.935 -19.397 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.310 -8.185 -20.087 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.335 -8.545 -18.643 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.454 -4.791 -16.386 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.491 -4.559 -17.814 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.949 -5.434 -17.966 1.00 0.00 H new ATOM 1152 N SER A 73 13.601 -9.282 -15.626 1.00 0.00 N ATOM 1153 CA SER A 73 13.190 -10.198 -14.566 1.00 0.00 C ATOM 1154 C SER A 73 12.581 -9.374 -13.429 1.00 0.00 C ATOM 1155 O SER A 73 12.989 -8.229 -13.229 1.00 0.00 O ATOM 1156 CB SER A 73 14.420 -10.972 -14.063 1.00 0.00 C ATOM 1157 OG SER A 73 15.023 -11.719 -15.109 1.00 0.00 O ATOM 0 H SER A 73 14.024 -8.429 -15.259 1.00 0.00 H new ATOM 0 HA SER A 73 12.454 -10.911 -14.936 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.146 -10.274 -13.646 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.125 -11.644 -13.257 1.00 0.00 H new ATOM 0 HG SER A 73 15.803 -12.199 -14.760 1.00 0.00 H new ATOM 1163 N VAL A 74 11.627 -9.932 -12.680 1.00 0.00 N ATOM 1164 CA VAL A 74 10.846 -9.212 -11.673 1.00 0.00 C ATOM 1165 C VAL A 74 10.696 -10.106 -10.435 1.00 0.00 C ATOM 1166 O VAL A 74 10.522 -11.323 -10.561 1.00 0.00 O ATOM 1167 CB VAL A 74 9.461 -8.826 -12.262 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.610 -8.004 -11.275 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.572 -8.050 -13.587 1.00 0.00 C ATOM 0 H VAL A 74 11.371 -10.916 -12.759 1.00 0.00 H new ATOM 0 HA VAL A 74 11.353 -8.292 -11.383 1.00 0.00 H new ATOM 0 HB VAL A 74 8.965 -9.778 -12.454 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.653 -7.760 -11.735 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.439 -8.586 -10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.135 -7.083 -11.021 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.574 -7.807 -13.951 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.132 -7.130 -13.424 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.089 -8.663 -14.326 1.00 0.00 H new ATOM 1179 N THR A 75 10.709 -9.492 -9.252 1.00 0.00 N ATOM 1180 CA THR A 75 10.392 -10.105 -7.971 1.00 0.00 C ATOM 1181 C THR A 75 9.475 -9.114 -7.251 1.00 0.00 C ATOM 1182 O THR A 75 9.937 -8.064 -6.804 1.00 0.00 O ATOM 1183 CB THR A 75 11.685 -10.378 -7.169 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.667 -11.019 -7.968 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.418 -11.264 -5.948 1.00 0.00 C ATOM 0 H THR A 75 10.953 -8.506 -9.161 1.00 0.00 H new ATOM 0 HA THR A 75 9.900 -11.070 -8.089 1.00 0.00 H new ATOM 0 HB THR A 75 12.049 -9.403 -6.844 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.473 -11.176 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.351 -11.433 -5.410 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.704 -10.770 -5.289 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.009 -12.220 -6.275 1.00 0.00 H new ATOM 1193 N GLU A 76 8.169 -9.391 -7.202 1.00 0.00 N ATOM 1194 CA GLU A 76 7.243 -8.627 -6.377 1.00 0.00 C ATOM 1195 C GLU A 76 7.442 -9.014 -4.907 1.00 0.00 C ATOM 1196 O GLU A 76 7.798 -10.156 -4.594 1.00 0.00 O ATOM 1197 CB GLU A 76 5.791 -8.822 -6.853 1.00 0.00 C ATOM 1198 CG GLU A 76 5.268 -10.263 -6.749 1.00 0.00 C ATOM 1199 CD GLU A 76 3.836 -10.383 -7.298 1.00 0.00 C ATOM 1200 OE1 GLU A 76 3.660 -10.653 -8.508 1.00 0.00 O ATOM 1201 OE2 GLU A 76 2.865 -10.234 -6.520 1.00 0.00 O ATOM 0 H GLU A 76 7.731 -10.146 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 76 7.452 -7.562 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.141 -8.171 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.717 -8.497 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.928 -10.932 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.288 -10.584 -5.708 1.00 0.00 H new ATOM 1208 N SER A 77 7.191 -8.057 -4.017 1.00 0.00 N ATOM 1209 CA SER A 77 7.472 -8.139 -2.589 1.00 0.00 C ATOM 1210 C SER A 77 6.434 -7.317 -1.808 1.00 0.00 C ATOM 1211 O SER A 77 5.719 -6.487 -2.381 1.00 0.00 O ATOM 1212 CB SER A 77 8.894 -7.606 -2.336 1.00 0.00 C ATOM 1213 OG SER A 77 9.880 -8.347 -3.041 1.00 0.00 O ATOM 0 H SER A 77 6.769 -7.167 -4.284 1.00 0.00 H new ATOM 0 HA SER A 77 7.411 -9.173 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.946 -6.559 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.109 -7.643 -1.268 1.00 0.00 H new ATOM 0 HG SER A 77 10.766 -7.974 -2.853 1.00 0.00 H new ATOM 1219 N ARG A 78 6.341 -7.548 -0.493 1.00 0.00 N ATOM 1220 CA ARG A 78 5.454 -6.814 0.416 1.00 0.00 C ATOM 1221 C ARG A 78 6.163 -6.647 1.767 1.00 0.00 C ATOM 1222 O ARG A 78 5.608 -6.938 2.828 1.00 0.00 O ATOM 1223 CB ARG A 78 4.083 -7.519 0.481 1.00 0.00 C ATOM 1224 CG ARG A 78 2.977 -6.600 1.030 1.00 0.00 C ATOM 1225 CD ARG A 78 1.589 -7.252 0.955 1.00 0.00 C ATOM 1226 NE ARG A 78 1.492 -8.472 1.780 1.00 0.00 N ATOM 1227 CZ ARG A 78 1.243 -8.527 3.096 1.00 0.00 C ATOM 1228 NH1 ARG A 78 1.046 -7.414 3.802 1.00 0.00 N ATOM 1229 NH2 ARG A 78 1.191 -9.707 3.705 1.00 0.00 N ATOM 0 H ARG A 78 6.892 -8.265 -0.022 1.00 0.00 H new ATOM 0 HA ARG A 78 5.243 -5.807 0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.806 -7.861 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.162 -8.405 1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.201 -6.344 2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.969 -5.667 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.836 -6.535 1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.363 -7.500 -0.082 1.00 0.00 H new ATOM 0 HE ARG A 78 1.628 -9.362 1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.084 -6.505 3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.857 -7.472 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.340 -10.563 3.171 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.002 -9.756 4.706 1.00 0.00 H new ATOM 1243 N SER A 79 7.420 -6.213 1.711 1.00 0.00 N ATOM 1244 CA SER A 79 8.360 -6.106 2.819 1.00 0.00 C ATOM 1245 C SER A 79 9.029 -4.732 2.684 1.00 0.00 C ATOM 1246 O SER A 79 10.228 -4.626 2.418 1.00 0.00 O ATOM 1247 CB SER A 79 9.348 -7.284 2.760 1.00 0.00 C ATOM 1248 OG SER A 79 8.660 -8.529 2.731 1.00 0.00 O ATOM 0 H SER A 79 7.834 -5.907 0.831 1.00 0.00 H new ATOM 0 HA SER A 79 7.883 -6.168 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.976 -7.192 1.874 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.010 -7.251 3.625 1.00 0.00 H new ATOM 0 HG SER A 79 9.310 -9.261 2.692 1.00 0.00 H new ATOM 1254 N LEU A 80 8.180 -3.695 2.729 1.00 0.00 N ATOM 1255 CA LEU A 80 8.407 -2.349 2.198 1.00 0.00 C ATOM 1256 C LEU A 80 9.748 -1.740 2.617 1.00 0.00 C ATOM 1257 O LEU A 80 10.238 -1.964 3.727 1.00 0.00 O ATOM 1258 CB LEU A 80 7.248 -1.423 2.621 1.00 0.00 C ATOM 1259 CG LEU A 80 5.848 -1.814 2.102 1.00 0.00 C ATOM 1260 CD1 LEU A 80 4.836 -0.733 2.494 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.794 -2.031 0.584 1.00 0.00 C ATOM 0 H LEU A 80 7.262 -3.782 3.164 1.00 0.00 H new ATOM 0 HA LEU A 80 8.443 -2.443 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.214 -1.390 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.472 -0.413 2.278 1.00 0.00 H new ATOM 0 HG LEU A 80 5.601 -2.769 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.848 -1.010 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.807 -0.638 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.132 0.219 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.780 -2.303 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.085 -1.112 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.479 -2.832 0.306 1.00 0.00 H new ATOM 1273 N GLU A 81 10.306 -0.909 1.734 1.00 0.00 N ATOM 1274 CA GLU A 81 11.492 -0.105 1.996 1.00 0.00 C ATOM 1275 C GLU A 81 11.155 0.972 3.034 1.00 0.00 C ATOM 1276 O GLU A 81 11.971 1.260 3.912 1.00 0.00 O ATOM 1277 CB GLU A 81 11.973 0.600 0.711 1.00 0.00 C ATOM 1278 CG GLU A 81 12.266 -0.309 -0.489 1.00 0.00 C ATOM 1279 CD GLU A 81 13.348 -1.357 -0.176 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.468 -0.986 0.242 1.00 0.00 O ATOM 1281 OE2 GLU A 81 13.069 -2.563 -0.349 1.00 0.00 O ATOM 0 H GLU A 81 9.933 -0.776 0.794 1.00 0.00 H new ATOM 0 HA GLU A 81 12.278 -0.766 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.216 1.326 0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.878 1.161 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.349 -0.815 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.587 0.300 -1.334 1.00 0.00 H new ATOM 1288 N GLY A 82 9.963 1.573 2.927 1.00 0.00 N ATOM 1289 CA GLY A 82 9.633 2.800 3.645 1.00 0.00 C ATOM 1290 C GLY A 82 10.558 3.940 3.203 1.00 0.00 C ATOM 1291 O GLY A 82 11.029 4.717 4.038 1.00 0.00 O ATOM 0 H GLY A 82 9.206 1.220 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.594 3.072 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.731 2.639 4.719 1.00 0.00 H new ATOM 1295 N HIS A 83 10.882 3.989 1.908 1.00 0.00 N ATOM 1296 CA HIS A 83 11.770 4.979 1.311 1.00 0.00 C ATOM 1297 C HIS A 83 11.076 6.349 1.268 1.00 0.00 C ATOM 1298 O HIS A 83 9.856 6.451 1.443 1.00 0.00 O ATOM 1299 CB HIS A 83 12.200 4.508 -0.097 1.00 0.00 C ATOM 1300 CG HIS A 83 13.696 4.472 -0.303 1.00 0.00 C ATOM 1301 ND1 HIS A 83 14.413 5.132 -1.279 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.590 3.717 0.411 1.00 0.00 C ATOM 1303 CE1 HIS A 83 15.703 4.776 -1.154 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.866 3.920 -0.129 1.00 0.00 N ATOM 0 H HIS A 83 10.521 3.319 1.229 1.00 0.00 H new ATOM 0 HA HIS A 83 12.669 5.085 1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.795 3.512 -0.275 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.757 5.170 -0.841 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.032 5.776 -1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.351 3.076 1.247 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.501 5.129 -1.790 1.00 0.00 H new ATOM 1312 N HIS A 84 11.845 7.414 1.014 1.00 0.00 N ATOM 1313 CA HIS A 84 11.347 8.797 0.968 1.00 0.00 C ATOM 1314 C HIS A 84 11.786 9.526 -0.316 1.00 0.00 C ATOM 1315 O HIS A 84 11.510 10.717 -0.478 1.00 0.00 O ATOM 1316 CB HIS A 84 11.808 9.558 2.229 1.00 0.00 C ATOM 1317 CG HIS A 84 11.274 9.047 3.552 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.269 8.125 3.753 1.00 0.00 N ATOM 1319 CD2 HIS A 84 11.689 9.457 4.792 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.098 7.968 5.076 1.00 0.00 C ATOM 1321 NE2 HIS A 84 10.941 8.768 5.758 1.00 0.00 N ATOM 0 H HIS A 84 12.846 7.340 0.832 1.00 0.00 H new ATOM 0 HA HIS A 84 10.258 8.766 0.951 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.897 9.532 2.266 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.518 10.603 2.123 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.745 7.644 3.022 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.460 10.186 4.991 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.385 7.295 5.529 1.00 0.00 H new ATOM 1329 N ARG A 85 12.467 8.834 -1.235 1.00 0.00 N ATOM 1330 CA ARG A 85 12.962 9.363 -2.505 1.00 0.00 C ATOM 1331 C ARG A 85 13.086 8.213 -3.494 1.00 0.00 C ATOM 1332 O ARG A 85 13.236 7.063 -3.064 1.00 0.00 O ATOM 1333 CB ARG A 85 14.334 10.043 -2.302 1.00 0.00 C ATOM 1334 CG ARG A 85 15.348 9.206 -1.496 1.00 0.00 C ATOM 1335 CD ARG A 85 16.758 9.799 -1.604 1.00 0.00 C ATOM 1336 NE ARG A 85 17.601 9.443 -0.447 1.00 0.00 N ATOM 1337 CZ ARG A 85 18.327 8.329 -0.281 1.00 0.00 C ATOM 1338 NH1 ARG A 85 18.329 7.359 -1.191 1.00 0.00 N ATOM 1339 NH2 ARG A 85 19.061 8.190 0.819 1.00 0.00 N ATOM 0 H ARG A 85 12.697 7.849 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 85 12.267 10.109 -2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.762 10.268 -3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 85 14.182 10.995 -1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.044 9.169 -0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.352 8.180 -1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.231 9.443 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.689 10.884 -1.681 1.00 0.00 H new ATOM 0 HE ARG A 85 17.635 10.122 0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.769 7.454 -2.038 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.890 6.521 -1.041 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.067 8.927 1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.618 7.347 0.957 1.00 0.00 H new ATOM 1353 N PHE A 86 13.072 8.502 -4.795 1.00 0.00 N ATOM 1354 CA PHE A 86 13.708 7.614 -5.759 1.00 0.00 C ATOM 1355 C PHE A 86 15.190 8.013 -5.839 1.00 0.00 C ATOM 1356 O PHE A 86 15.519 9.185 -5.623 1.00 0.00 O ATOM 1357 CB PHE A 86 13.004 7.655 -7.125 1.00 0.00 C ATOM 1358 CG PHE A 86 13.155 6.347 -7.883 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.518 5.177 -7.432 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.956 6.286 -9.029 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.737 3.952 -8.084 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.184 5.066 -9.687 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.581 3.893 -9.205 1.00 0.00 C ATOM 0 H PHE A 86 12.634 9.331 -5.198 1.00 0.00 H new ATOM 0 HA PHE A 86 13.627 6.576 -5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.945 7.870 -6.981 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.416 8.469 -7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.857 5.221 -6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.405 7.190 -9.413 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.256 3.055 -7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.820 5.030 -10.559 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.766 2.948 -9.695 1.00 0.00 H new ATOM 1373 N SER A 87 16.080 7.056 -6.113 1.00 0.00 N ATOM 1374 CA SER A 87 17.525 7.244 -5.951 1.00 0.00 C ATOM 1375 C SER A 87 18.299 6.619 -7.118 1.00 0.00 C ATOM 1376 O SER A 87 17.754 5.776 -7.833 1.00 0.00 O ATOM 1377 CB SER A 87 17.959 6.619 -4.614 1.00 0.00 C ATOM 1378 OG SER A 87 16.969 6.781 -3.605 1.00 0.00 O ATOM 0 H SER A 87 15.820 6.130 -6.453 1.00 0.00 H new ATOM 0 HA SER A 87 17.750 8.311 -5.948 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.160 5.557 -4.758 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.891 7.078 -4.285 1.00 0.00 H new ATOM 0 HG SER A 87 16.231 6.157 -3.767 1.00 0.00 H new ATOM 1384 N ILE A 88 19.564 7.002 -7.310 1.00 0.00 N ATOM 1385 CA ILE A 88 20.491 6.337 -8.226 1.00 0.00 C ATOM 1386 C ILE A 88 21.641 5.816 -7.356 1.00 0.00 C ATOM 1387 O ILE A 88 22.085 6.518 -6.443 1.00 0.00 O ATOM 1388 CB ILE A 88 20.982 7.279 -9.361 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.812 7.982 -10.083 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.785 6.485 -10.410 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.183 8.879 -11.274 1.00 0.00 C ATOM 0 H ILE A 88 19.979 7.797 -6.824 1.00 0.00 H new ATOM 0 HA ILE A 88 20.000 5.518 -8.752 1.00 0.00 H new ATOM 0 HB ILE A 88 21.609 8.034 -8.887 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.119 7.218 -10.434 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.275 8.588 -9.353 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.121 7.159 -11.198 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.650 6.024 -9.933 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.152 5.710 -10.842 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.278 9.316 -11.697 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.847 9.675 -10.937 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.688 8.283 -12.035 1.00 0.00 H new ATOM 1403 N VAL A 89 22.128 4.607 -7.637 1.00 0.00 N ATOM 1404 CA VAL A 89 23.298 4.016 -6.987 1.00 0.00 C ATOM 1405 C VAL A 89 24.217 3.431 -8.071 1.00 0.00 C ATOM 1406 O VAL A 89 23.832 3.336 -9.241 1.00 0.00 O ATOM 1407 CB VAL A 89 22.912 2.985 -5.889 1.00 0.00 C ATOM 1408 CG1 VAL A 89 23.813 3.158 -4.657 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.448 3.041 -5.410 1.00 0.00 C ATOM 0 H VAL A 89 21.710 3.997 -8.340 1.00 0.00 H new ATOM 0 HA VAL A 89 23.843 4.792 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 89 23.049 2.018 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.532 2.430 -3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 89 24.853 3.002 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.694 4.165 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 89 21.286 2.281 -4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.239 4.026 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.782 2.855 -6.253 1.00 0.00 H new ATOM 1419 N TYR A 90 25.447 3.069 -7.699 1.00 0.00 N ATOM 1420 CA TYR A 90 26.560 2.944 -8.634 1.00 0.00 C ATOM 1421 C TYR A 90 27.367 1.687 -8.289 1.00 0.00 C ATOM 1422 O TYR A 90 28.400 1.763 -7.617 1.00 0.00 O ATOM 1423 CB TYR A 90 27.401 4.238 -8.603 1.00 0.00 C ATOM 1424 CG TYR A 90 26.598 5.519 -8.780 1.00 0.00 C ATOM 1425 CD1 TYR A 90 26.194 5.932 -10.064 1.00 0.00 C ATOM 1426 CD2 TYR A 90 26.223 6.278 -7.653 1.00 0.00 C ATOM 1427 CE1 TYR A 90 25.427 7.100 -10.225 1.00 0.00 C ATOM 1428 CE2 TYR A 90 25.446 7.439 -7.805 1.00 0.00 C ATOM 1429 CZ TYR A 90 25.047 7.859 -9.094 1.00 0.00 C ATOM 1430 OH TYR A 90 24.310 8.998 -9.231 1.00 0.00 O ATOM 0 H TYR A 90 25.697 2.854 -6.734 1.00 0.00 H new ATOM 0 HA TYR A 90 26.204 2.824 -9.657 1.00 0.00 H new ATOM 0 HB2 TYR A 90 27.934 4.287 -7.653 1.00 0.00 H new ATOM 0 HB3 TYR A 90 28.154 4.185 -9.389 1.00 0.00 H new ATOM 0 HD1 TYR A 90 26.474 5.349 -10.929 1.00 0.00 H new ATOM 0 HD2 TYR A 90 26.535 5.966 -6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 90 25.128 7.417 -11.213 1.00 0.00 H new ATOM 0 HE2 TYR A 90 25.154 8.010 -6.936 1.00 0.00 H new ATOM 0 HH TYR A 90 24.142 9.387 -8.347 1.00 0.00 H new ATOM 1440 N SER A 91 26.868 0.529 -8.738 1.00 0.00 N ATOM 1441 CA SER A 91 27.426 -0.792 -8.450 1.00 0.00 C ATOM 1442 C SER A 91 27.629 -0.968 -6.935 1.00 0.00 C ATOM 1443 O SER A 91 26.672 -0.694 -6.178 1.00 0.00 O ATOM 1444 CB SER A 91 28.699 -1.017 -9.281 1.00 0.00 C ATOM 1445 OG SER A 91 28.491 -0.723 -10.658 1.00 0.00 O ATOM 1446 OXT SER A 91 28.713 -1.402 -6.492 1.00 0.00 O ATOM 0 H SER A 91 26.039 0.487 -9.330 1.00 0.00 H new ATOM 0 HA SER A 91 26.724 -1.571 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 91 29.502 -0.390 -8.893 1.00 0.00 H new ATOM 0 HB3 SER A 91 29.024 -2.052 -9.175 1.00 0.00 H new ATOM 0 HG SER A 91 29.174 -1.176 -11.196 1.00 0.00 H new TER 1452 SER A 91