USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 804 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 48 LYS NZ :NH3+ 135:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 50 SER OG : rot -14:sc= 1.25 USER MOD Set 2.1: A 30 GLN : amide:sc= -0.585 X(o=-0.61,f=-0.23) USER MOD Set 2.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 41 THR OG1 : rot 90:sc= -0.0285 USER MOD Single : A 0 SER OG : rot -88:sc= 1.41 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ 167:sc= 1.68 (180deg=1.31) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.12) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc=-0.000521 X(o=-0.00052,f=-0.45) USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= 1.09 (180deg=0.455) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0608) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0114 USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0578) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -0.0297 (180deg=-0.193) USER MOD Single : A 49 THR OG1 : rot 98:sc= -0.921 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 64:sc= 1.24 USER MOD Single : A 57 TYR OH : rot 87:sc= 1.32 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.18) USER MOD Single : A 71 LYS NZ :NH3+ 160:sc= 1.69 (180deg=1.08) USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= 1.14 (180deg=0.878) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -148:sc= -2.4! (180deg=-7.48!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 33:sc= 0.819 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 4.708 8.442 6.461 1.00 0.00 N ATOM 2 CA GLY A -1 5.945 7.910 7.072 1.00 0.00 C ATOM 3 C GLY A -1 6.337 6.577 6.481 1.00 0.00 C ATOM 4 O GLY A -1 6.374 5.567 7.178 1.00 0.00 O ATOM 0 H1 GLY A -1 4.351 9.234 7.033 1.00 0.00 H new ATOM 0 H2 GLY A -1 4.912 8.775 5.497 1.00 0.00 H new ATOM 0 H3 GLY A -1 3.989 7.692 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A -1 6.757 8.623 6.929 1.00 0.00 H new ATOM 0 HA3 GLY A -1 5.802 7.802 8.147 1.00 0.00 H new ATOM 10 N SER A 0 6.605 6.568 5.186 1.00 0.00 N ATOM 11 CA SER A 0 7.066 5.369 4.513 1.00 0.00 C ATOM 12 C SER A 0 8.507 5.083 4.920 1.00 0.00 C ATOM 13 O SER A 0 9.401 5.873 4.634 1.00 0.00 O ATOM 14 CB SER A 0 6.963 5.556 3.000 1.00 0.00 C ATOM 15 OG SER A 0 5.655 5.954 2.625 1.00 0.00 O ATOM 0 H SER A 0 6.510 7.382 4.579 1.00 0.00 H new ATOM 0 HA SER A 0 6.443 4.522 4.801 1.00 0.00 H new ATOM 0 HB2 SER A 0 7.683 6.306 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 0 7.222 4.625 2.496 1.00 0.00 H new ATOM 0 HG SER A 0 5.101 5.159 2.477 1.00 0.00 H new ATOM 21 N LEU A 1 8.720 3.985 5.629 1.00 0.00 N ATOM 22 CA LEU A 1 10.055 3.625 6.081 1.00 0.00 C ATOM 23 C LEU A 1 10.169 2.140 6.346 1.00 0.00 C ATOM 24 O LEU A 1 9.270 1.538 6.934 1.00 0.00 O ATOM 25 CB LEU A 1 10.442 4.404 7.342 1.00 0.00 C ATOM 26 CG LEU A 1 9.275 4.891 8.211 1.00 0.00 C ATOM 27 CD1 LEU A 1 8.747 3.770 9.093 1.00 0.00 C ATOM 28 CD2 LEU A 1 9.713 6.067 9.065 1.00 0.00 C ATOM 0 H LEU A 1 7.988 3.330 5.903 1.00 0.00 H new ATOM 0 HA LEU A 1 10.744 3.888 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.086 3.772 7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.034 5.269 7.044 1.00 0.00 H new ATOM 0 HG LEU A 1 8.470 5.212 7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.921 4.142 9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.397 2.949 8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.544 3.415 9.746 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.876 6.404 9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.536 5.761 9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.042 6.882 8.420 1.00 0.00 H new ATOM 40 N ILE A 2 11.275 1.569 5.879 1.00 0.00 N ATOM 41 CA ILE A 2 11.628 0.186 6.142 1.00 0.00 C ATOM 42 C ILE A 2 12.776 -0.226 5.217 1.00 0.00 C ATOM 43 O ILE A 2 12.776 0.123 4.040 1.00 0.00 O ATOM 44 CB ILE A 2 10.413 -0.773 5.982 1.00 0.00 C ATOM 45 CG1 ILE A 2 10.575 -1.974 6.909 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.206 -1.215 4.537 1.00 0.00 C ATOM 47 CD1 ILE A 2 10.463 -1.603 8.376 1.00 0.00 C ATOM 0 H ILE A 2 11.956 2.062 5.302 1.00 0.00 H new ATOM 0 HA ILE A 2 11.949 0.107 7.181 1.00 0.00 H new ATOM 0 HB ILE A 2 9.516 -0.223 6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.816 -2.718 6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 2 11.545 -2.438 6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.346 -1.883 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.028 -0.341 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.095 -1.738 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 2 10.586 -2.497 8.988 1.00 0.00 H new ATOM 0 HD12 ILE A 2 11.239 -0.880 8.629 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.483 -1.165 8.567 1.00 0.00 H new ATOM 59 N LEU A 3 13.771 -0.916 5.783 1.00 0.00 N ATOM 60 CA LEU A 3 14.966 -1.372 5.052 1.00 0.00 C ATOM 61 C LEU A 3 16.015 -0.270 4.927 1.00 0.00 C ATOM 62 O LEU A 3 17.186 -0.565 4.698 1.00 0.00 O ATOM 63 CB LEU A 3 14.632 -1.953 3.667 1.00 0.00 C ATOM 64 CG LEU A 3 14.182 -3.418 3.652 1.00 0.00 C ATOM 65 CD1 LEU A 3 12.842 -3.595 4.350 1.00 0.00 C ATOM 66 CD2 LEU A 3 14.113 -3.931 2.226 1.00 0.00 C ATOM 0 H LEU A 3 13.773 -1.178 6.769 1.00 0.00 H new ATOM 0 HA LEU A 3 15.387 -2.179 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.846 -1.346 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.512 -1.856 3.031 1.00 0.00 H new ATOM 0 HG LEU A 3 14.920 -4.003 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.553 -4.645 4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.926 -3.270 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.086 -2.996 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.792 -4.973 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.400 -3.333 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.098 -3.856 1.764 1.00 0.00 H new ATOM 78 N ASP A 4 15.590 0.988 5.052 1.00 0.00 N ATOM 79 CA ASP A 4 16.511 2.133 5.141 1.00 0.00 C ATOM 80 C ASP A 4 17.359 2.295 3.881 1.00 0.00 C ATOM 81 O ASP A 4 18.403 2.950 3.901 1.00 0.00 O ATOM 82 CB ASP A 4 17.427 1.993 6.364 1.00 0.00 C ATOM 83 CG ASP A 4 16.669 2.043 7.674 1.00 0.00 C ATOM 84 OD1 ASP A 4 16.317 0.972 8.210 1.00 0.00 O ATOM 85 OD2 ASP A 4 16.428 3.156 8.182 1.00 0.00 O ATOM 0 H ASP A 4 14.604 1.246 5.095 1.00 0.00 H new ATOM 0 HA ASP A 4 15.895 3.026 5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.970 1.050 6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 4 18.170 2.790 6.349 1.00 0.00 H new ATOM 90 N GLY A 5 16.894 1.724 2.779 1.00 0.00 N ATOM 91 CA GLY A 5 17.656 1.753 1.545 1.00 0.00 C ATOM 92 C GLY A 5 18.756 0.722 1.527 1.00 0.00 C ATOM 93 O GLY A 5 19.489 0.588 0.547 1.00 0.00 O ATOM 0 H GLY A 5 15.999 1.239 2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 5 16.986 1.581 0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 5 18.088 2.745 1.411 1.00 0.00 H new ATOM 97 N ASP A 6 18.854 -0.023 2.610 1.00 0.00 N ATOM 98 CA ASP A 6 19.908 -1.019 2.763 1.00 0.00 C ATOM 99 C ASP A 6 19.464 -2.355 2.188 1.00 0.00 C ATOM 100 O ASP A 6 20.268 -3.273 2.032 1.00 0.00 O ATOM 101 CB ASP A 6 20.296 -1.175 4.234 1.00 0.00 C ATOM 102 CG ASP A 6 21.531 -2.033 4.414 1.00 0.00 C ATOM 103 OD1 ASP A 6 22.617 -1.610 3.969 1.00 0.00 O ATOM 104 OD2 ASP A 6 21.427 -3.118 5.015 1.00 0.00 O ATOM 0 H ASP A 6 18.216 0.039 3.403 1.00 0.00 H new ATOM 0 HA ASP A 6 20.784 -0.677 2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.474 -0.191 4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.465 -1.619 4.782 1.00 0.00 H new ATOM 109 N LEU A 7 18.170 -2.452 1.890 1.00 0.00 N ATOM 110 CA LEU A 7 17.605 -3.625 1.226 1.00 0.00 C ATOM 111 C LEU A 7 17.604 -4.813 2.174 1.00 0.00 C ATOM 112 O LEU A 7 17.736 -5.960 1.755 1.00 0.00 O ATOM 113 CB LEU A 7 18.373 -3.954 -0.062 1.00 0.00 C ATOM 114 CG LEU A 7 18.322 -2.872 -1.143 1.00 0.00 C ATOM 115 CD1 LEU A 7 19.205 -3.252 -2.321 1.00 0.00 C ATOM 116 CD2 LEU A 7 16.890 -2.650 -1.605 1.00 0.00 C ATOM 0 H LEU A 7 17.487 -1.724 2.100 1.00 0.00 H new ATOM 0 HA LEU A 7 16.575 -3.400 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.416 -4.142 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 7 17.975 -4.880 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 7 18.697 -1.942 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.156 -2.471 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.235 -3.365 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 7 18.858 -4.193 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.871 -1.877 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.492 -3.579 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.279 -2.335 -0.759 1.00 0.00 H new ATOM 128 N LEU A 8 17.438 -4.509 3.455 1.00 0.00 N ATOM 129 CA LEU A 8 17.361 -5.516 4.504 1.00 0.00 C ATOM 130 C LEU A 8 16.184 -6.465 4.289 1.00 0.00 C ATOM 131 O LEU A 8 15.059 -6.188 4.700 1.00 0.00 O ATOM 132 CB LEU A 8 17.240 -4.833 5.863 1.00 0.00 C ATOM 133 CG LEU A 8 18.533 -4.214 6.395 1.00 0.00 C ATOM 134 CD1 LEU A 8 18.269 -3.461 7.690 1.00 0.00 C ATOM 135 CD2 LEU A 8 19.586 -5.290 6.604 1.00 0.00 C ATOM 0 H LEU A 8 17.353 -3.552 3.797 1.00 0.00 H new ATOM 0 HA LEU A 8 18.275 -6.109 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.483 -4.052 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.879 -5.563 6.588 1.00 0.00 H new ATOM 0 HG LEU A 8 18.908 -3.504 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.200 -3.027 8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.545 -2.667 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 8 17.873 -4.149 8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 8 20.501 -4.835 6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 8 19.220 -6.022 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.793 -5.786 5.656 1.00 0.00 H new ATOM 147 N LYS A 9 16.455 -7.575 3.632 1.00 0.00 N ATOM 148 CA LYS A 9 15.440 -8.575 3.352 1.00 0.00 C ATOM 149 C LYS A 9 15.547 -9.726 4.340 1.00 0.00 C ATOM 150 O LYS A 9 15.998 -10.825 4.006 1.00 0.00 O ATOM 151 CB LYS A 9 15.561 -9.057 1.902 1.00 0.00 C ATOM 152 CG LYS A 9 16.997 -9.098 1.409 1.00 0.00 C ATOM 153 CD LYS A 9 17.077 -9.125 -0.106 1.00 0.00 C ATOM 154 CE LYS A 9 18.428 -8.612 -0.574 1.00 0.00 C ATOM 155 NZ LYS A 9 18.553 -8.610 -2.054 1.00 0.00 N ATOM 0 H LYS A 9 17.382 -7.810 3.277 1.00 0.00 H new ATOM 0 HA LYS A 9 14.453 -8.129 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.125 -10.053 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.979 -8.399 1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.534 -8.227 1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.494 -9.979 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.922 -10.142 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.281 -8.512 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.579 -7.600 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.216 -9.232 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.492 -8.252 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.436 -9.579 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.819 -7.998 -2.464 1.00 0.00 H new ATOM 169 N ASP A 10 15.150 -9.440 5.572 1.00 0.00 N ATOM 170 CA ASP A 10 15.180 -10.416 6.653 1.00 0.00 C ATOM 171 C ASP A 10 14.143 -11.502 6.412 1.00 0.00 C ATOM 172 O ASP A 10 14.323 -12.659 6.791 1.00 0.00 O ATOM 173 CB ASP A 10 14.914 -9.718 7.989 1.00 0.00 C ATOM 174 CG ASP A 10 14.812 -10.685 9.148 1.00 0.00 C ATOM 175 OD1 ASP A 10 13.680 -11.053 9.520 1.00 0.00 O ATOM 176 OD2 ASP A 10 15.864 -11.077 9.695 1.00 0.00 O ATOM 0 H ASP A 10 14.798 -8.524 5.851 1.00 0.00 H new ATOM 0 HA ASP A 10 16.166 -10.880 6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.715 -9.005 8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.989 -9.146 7.917 1.00 0.00 H new ATOM 181 N LYS A 11 13.064 -11.115 5.757 1.00 0.00 N ATOM 182 CA LYS A 11 11.991 -12.019 5.418 1.00 0.00 C ATOM 183 C LYS A 11 11.579 -11.751 3.988 1.00 0.00 C ATOM 184 O LYS A 11 11.637 -10.609 3.534 1.00 0.00 O ATOM 185 CB LYS A 11 10.802 -11.843 6.370 1.00 0.00 C ATOM 186 CG LYS A 11 11.104 -12.274 7.796 1.00 0.00 C ATOM 187 CD LYS A 11 11.501 -13.741 7.849 1.00 0.00 C ATOM 188 CE LYS A 11 11.879 -14.182 9.256 1.00 0.00 C ATOM 189 NZ LYS A 11 13.180 -13.608 9.700 1.00 0.00 N ATOM 0 H LYS A 11 12.911 -10.156 5.445 1.00 0.00 H new ATOM 0 HA LYS A 11 12.333 -13.049 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.498 -10.796 6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.957 -12.420 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.908 -11.661 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.228 -12.108 8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.675 -14.353 7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.342 -13.913 7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.096 -13.880 9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.934 -15.270 9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.444 -14.016 10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.915 -13.831 8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.091 -12.576 9.792 1.00 0.00 H new ATOM 203 N LEU A 12 11.212 -12.799 3.276 1.00 0.00 N ATOM 204 CA LEU A 12 10.890 -12.686 1.868 1.00 0.00 C ATOM 205 C LEU A 12 10.218 -13.965 1.397 1.00 0.00 C ATOM 206 O LEU A 12 10.247 -14.971 2.106 1.00 0.00 O ATOM 207 CB LEU A 12 12.180 -12.429 1.074 1.00 0.00 C ATOM 208 CG LEU A 12 11.999 -12.117 -0.413 1.00 0.00 C ATOM 209 CD1 LEU A 12 11.129 -10.889 -0.598 1.00 0.00 C ATOM 210 CD2 LEU A 12 13.348 -11.918 -1.084 1.00 0.00 C ATOM 0 H LEU A 12 11.129 -13.743 3.653 1.00 0.00 H new ATOM 0 HA LEU A 12 10.205 -11.854 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.710 -11.597 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.821 -13.306 1.166 1.00 0.00 H new ATOM 0 HG LEU A 12 11.501 -12.965 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.012 -10.683 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.150 -11.066 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.599 -10.034 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.200 -11.697 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.871 -11.088 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.942 -12.826 -0.983 1.00 0.00 H new ATOM 222 N LYS A 13 9.596 -13.916 0.218 1.00 0.00 N ATOM 223 CA LYS A 13 8.987 -15.100 -0.403 1.00 0.00 C ATOM 224 C LYS A 13 7.829 -15.610 0.444 1.00 0.00 C ATOM 225 O LYS A 13 7.403 -16.759 0.324 1.00 0.00 O ATOM 226 CB LYS A 13 10.032 -16.207 -0.575 1.00 0.00 C ATOM 227 CG LYS A 13 11.350 -15.722 -1.148 1.00 0.00 C ATOM 228 CD LYS A 13 12.504 -16.551 -0.617 1.00 0.00 C ATOM 229 CE LYS A 13 13.824 -15.813 -0.743 1.00 0.00 C ATOM 230 NZ LYS A 13 14.937 -16.547 -0.083 1.00 0.00 N ATOM 0 H LYS A 13 9.499 -13.063 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 13 8.607 -14.815 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.217 -16.673 0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.625 -16.979 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.323 -15.782 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.500 -14.674 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.324 -16.800 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.559 -17.492 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.060 -15.669 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.729 -14.822 -0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.820 -16.009 -0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.725 -16.663 0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.045 -17.483 -0.523 1.00 0.00 H new ATOM 244 N LEU A 14 7.324 -14.731 1.288 1.00 0.00 N ATOM 245 CA LEU A 14 6.275 -15.060 2.224 1.00 0.00 C ATOM 246 C LEU A 14 4.943 -15.238 1.506 1.00 0.00 C ATOM 247 O LEU A 14 4.748 -14.708 0.410 1.00 0.00 O ATOM 248 CB LEU A 14 6.161 -13.933 3.251 1.00 0.00 C ATOM 249 CG LEU A 14 7.453 -13.586 3.996 1.00 0.00 C ATOM 250 CD1 LEU A 14 7.252 -12.350 4.861 1.00 0.00 C ATOM 251 CD2 LEU A 14 7.920 -14.762 4.842 1.00 0.00 C ATOM 0 H LEU A 14 7.635 -13.761 1.341 1.00 0.00 H new ATOM 0 HA LEU A 14 6.521 -15.999 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.803 -13.037 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.403 -14.208 3.984 1.00 0.00 H new ATOM 0 HG LEU A 14 8.226 -13.370 3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.180 -12.117 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.969 -11.507 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.463 -12.540 5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.839 -14.493 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.150 -15.014 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.105 -15.622 4.199 1.00 0.00 H new ATOM 263 N PRO A 15 4.019 -16.006 2.098 1.00 0.00 N ATOM 264 CA PRO A 15 2.631 -16.079 1.634 1.00 0.00 C ATOM 265 C PRO A 15 1.932 -14.742 1.827 1.00 0.00 C ATOM 266 O PRO A 15 2.572 -13.741 2.161 1.00 0.00 O ATOM 267 CB PRO A 15 2.003 -17.146 2.537 1.00 0.00 C ATOM 268 CG PRO A 15 3.153 -17.891 3.099 1.00 0.00 C ATOM 269 CD PRO A 15 4.245 -16.884 3.253 1.00 0.00 C ATOM 0 HA PRO A 15 2.551 -16.318 0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.402 -16.693 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.343 -17.804 1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.897 -18.342 4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.457 -18.701 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.171 -16.343 4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.232 -17.346 3.227 1.00 0.00 H new ATOM 277 N VAL A 16 0.630 -14.703 1.618 1.00 0.00 N ATOM 278 CA VAL A 16 -0.099 -13.479 1.874 1.00 0.00 C ATOM 279 C VAL A 16 -0.063 -13.146 3.360 1.00 0.00 C ATOM 280 O VAL A 16 -0.465 -13.939 4.213 1.00 0.00 O ATOM 281 CB VAL A 16 -1.555 -13.510 1.376 1.00 0.00 C ATOM 282 CG1 VAL A 16 -2.346 -14.641 2.013 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.210 -12.160 1.643 1.00 0.00 C ATOM 0 H VAL A 16 0.068 -15.484 1.280 1.00 0.00 H new ATOM 0 HA VAL A 16 0.405 -12.700 1.302 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.550 -13.699 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.368 -14.628 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.880 -15.595 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.358 -14.512 3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.241 -12.180 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.196 -11.954 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.662 -11.379 1.116 1.00 0.00 H new ATOM 293 N ILE A 17 0.448 -11.977 3.660 1.00 0.00 N ATOM 294 CA ILE A 17 0.557 -11.527 5.022 1.00 0.00 C ATOM 295 C ILE A 17 -0.480 -10.464 5.322 1.00 0.00 C ATOM 296 O ILE A 17 -1.275 -10.086 4.461 1.00 0.00 O ATOM 297 CB ILE A 17 1.948 -10.955 5.329 1.00 0.00 C ATOM 298 CG1 ILE A 17 2.459 -10.156 4.136 1.00 0.00 C ATOM 299 CG2 ILE A 17 2.924 -12.057 5.698 1.00 0.00 C ATOM 300 CD1 ILE A 17 3.677 -9.316 4.440 1.00 0.00 C ATOM 0 H ILE A 17 0.798 -11.314 2.968 1.00 0.00 H new ATOM 0 HA ILE A 17 0.390 -12.401 5.652 1.00 0.00 H new ATOM 0 HB ILE A 17 1.864 -10.288 6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.697 -10.844 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.661 -9.506 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.901 -11.622 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.562 -12.583 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.012 -12.758 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.981 -8.777 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.439 -8.602 5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.491 -9.962 4.769 1.00 0.00 H new ATOM 312 N ASP A 18 -0.431 -9.985 6.545 1.00 0.00 N ATOM 313 CA ASP A 18 -1.357 -8.994 7.063 1.00 0.00 C ATOM 314 C ASP A 18 -0.984 -8.777 8.510 1.00 0.00 C ATOM 315 O ASP A 18 -1.054 -7.666 9.027 1.00 0.00 O ATOM 316 CB ASP A 18 -2.806 -9.482 6.967 1.00 0.00 C ATOM 317 CG ASP A 18 -3.812 -8.388 7.259 1.00 0.00 C ATOM 318 OD1 ASP A 18 -4.345 -7.799 6.296 1.00 0.00 O ATOM 319 OD2 ASP A 18 -4.084 -8.116 8.447 1.00 0.00 O ATOM 0 H ASP A 18 0.269 -10.279 7.226 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.291 -8.073 6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.986 -9.878 5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.955 -10.304 7.667 1.00 0.00 H new ATOM 324 N ASN A 19 -0.544 -9.890 9.107 1.00 0.00 N ATOM 325 CA ASN A 19 -0.048 -9.982 10.485 1.00 0.00 C ATOM 326 C ASN A 19 0.814 -8.792 10.885 1.00 0.00 C ATOM 327 O ASN A 19 2.041 -8.865 10.805 1.00 0.00 O ATOM 328 CB ASN A 19 0.784 -11.260 10.602 1.00 0.00 C ATOM 329 CG ASN A 19 1.237 -11.549 12.019 1.00 0.00 C ATOM 330 OD1 ASN A 19 0.568 -11.194 12.987 1.00 0.00 O ATOM 331 ND2 ASN A 19 2.375 -12.206 12.148 1.00 0.00 N ATOM 0 H ASN A 19 -0.523 -10.788 8.624 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.909 -9.991 11.154 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.197 -12.103 10.236 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.659 -11.177 9.957 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.728 -12.437 13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.901 -12.483 11.319 1.00 0.00 H new ATOM 338 N LEU A 20 0.158 -7.714 11.332 1.00 0.00 N ATOM 339 CA LEU A 20 0.809 -6.443 11.628 1.00 0.00 C ATOM 340 C LEU A 20 1.964 -6.160 10.679 1.00 0.00 C ATOM 341 O LEU A 20 3.040 -5.732 11.090 1.00 0.00 O ATOM 342 CB LEU A 20 1.277 -6.414 13.070 1.00 0.00 C ATOM 343 CG LEU A 20 0.171 -6.142 14.088 1.00 0.00 C ATOM 344 CD1 LEU A 20 0.747 -6.071 15.493 1.00 0.00 C ATOM 345 CD2 LEU A 20 -0.557 -4.850 13.743 1.00 0.00 C ATOM 0 H LEU A 20 -0.848 -7.705 11.498 1.00 0.00 H new ATOM 0 HA LEU A 20 0.072 -5.653 11.481 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.745 -7.370 13.307 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.046 -5.649 13.174 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.545 -6.963 14.052 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.055 -5.877 16.205 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.228 -7.018 15.737 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.481 -5.267 15.545 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.343 -4.668 14.476 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.149 -4.020 13.755 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.000 -4.936 12.751 1.00 0.00 H new ATOM 357 N PHE A 21 1.719 -6.413 9.411 1.00 0.00 N ATOM 358 CA PHE A 21 2.717 -6.221 8.379 1.00 0.00 C ATOM 359 C PHE A 21 2.163 -5.326 7.288 1.00 0.00 C ATOM 360 O PHE A 21 2.609 -4.195 7.120 1.00 0.00 O ATOM 361 CB PHE A 21 3.149 -7.569 7.799 1.00 0.00 C ATOM 362 CG PHE A 21 4.594 -7.890 8.053 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.958 -8.748 9.076 1.00 0.00 C ATOM 364 CD2 PHE A 21 5.590 -7.328 7.269 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.287 -9.043 9.314 1.00 0.00 C ATOM 366 CE2 PHE A 21 6.920 -7.619 7.501 1.00 0.00 C ATOM 367 CZ PHE A 21 7.270 -8.477 8.525 1.00 0.00 C ATOM 0 H PHE A 21 0.823 -6.757 9.066 1.00 0.00 H new ATOM 0 HA PHE A 21 3.592 -5.741 8.817 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.529 -8.356 8.227 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.968 -7.569 6.724 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.194 -9.193 9.696 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.323 -6.655 6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.557 -9.715 10.115 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.686 -7.176 6.882 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.310 -8.705 8.709 1.00 0.00 H new ATOM 377 N GLY A 22 1.165 -5.827 6.572 1.00 0.00 N ATOM 378 CA GLY A 22 0.524 -5.030 5.550 1.00 0.00 C ATOM 379 C GLY A 22 -0.177 -3.834 6.145 1.00 0.00 C ATOM 380 O GLY A 22 0.030 -2.705 5.714 1.00 0.00 O ATOM 0 H GLY A 22 0.790 -6.769 6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.268 -4.695 4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.195 -5.642 5.007 1.00 0.00 H new ATOM 384 N LYS A 23 -0.986 -4.086 7.164 1.00 0.00 N ATOM 385 CA LYS A 23 -1.699 -3.034 7.863 1.00 0.00 C ATOM 386 C LYS A 23 -0.727 -1.986 8.392 1.00 0.00 C ATOM 387 O LYS A 23 -1.021 -0.792 8.387 1.00 0.00 O ATOM 388 CB LYS A 23 -2.486 -3.646 9.014 1.00 0.00 C ATOM 389 CG LYS A 23 -3.503 -4.681 8.573 1.00 0.00 C ATOM 390 CD LYS A 23 -4.648 -4.051 7.799 1.00 0.00 C ATOM 391 CE LYS A 23 -5.608 -5.108 7.278 1.00 0.00 C ATOM 392 NZ LYS A 23 -5.993 -6.084 8.334 1.00 0.00 N ATOM 0 H LYS A 23 -1.164 -5.023 7.526 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.382 -2.543 7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.790 -4.108 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.000 -2.851 9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.013 -5.431 7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.897 -5.199 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.185 -3.354 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.251 -3.473 6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.504 -4.624 6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.145 -5.639 6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.794 -6.658 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.186 -6.705 8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.269 -5.572 9.196 1.00 0.00 H new ATOM 406 N GLU A 24 0.438 -2.446 8.834 1.00 0.00 N ATOM 407 CA GLU A 24 1.478 -1.568 9.307 1.00 0.00 C ATOM 408 C GLU A 24 2.006 -0.696 8.182 1.00 0.00 C ATOM 409 O GLU A 24 2.089 0.519 8.327 1.00 0.00 O ATOM 410 CB GLU A 24 2.613 -2.386 9.902 1.00 0.00 C ATOM 411 CG GLU A 24 2.510 -2.586 11.387 1.00 0.00 C ATOM 412 CD GLU A 24 3.867 -2.713 12.047 1.00 0.00 C ATOM 413 OE1 GLU A 24 4.808 -3.223 11.401 1.00 0.00 O ATOM 414 OE2 GLU A 24 4.008 -2.294 13.213 1.00 0.00 O ATOM 0 H GLU A 24 0.678 -3.437 8.871 1.00 0.00 H new ATOM 0 HA GLU A 24 1.056 -0.919 10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.638 -3.361 9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.559 -1.893 9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.972 -1.747 11.828 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.924 -3.483 11.591 1.00 0.00 H new ATOM 421 N LEU A 25 2.357 -1.331 7.063 1.00 0.00 N ATOM 422 CA LEU A 25 2.867 -0.627 5.895 1.00 0.00 C ATOM 423 C LEU A 25 1.994 0.559 5.557 1.00 0.00 C ATOM 424 O LEU A 25 2.409 1.704 5.672 1.00 0.00 O ATOM 425 CB LEU A 25 2.905 -1.548 4.681 1.00 0.00 C ATOM 426 CG LEU A 25 3.861 -2.727 4.761 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.750 -3.561 3.495 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.289 -2.244 4.989 1.00 0.00 C ATOM 0 H LEU A 25 2.295 -2.342 6.945 1.00 0.00 H new ATOM 0 HA LEU A 25 3.874 -0.289 6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.900 -1.933 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.169 -0.952 3.807 1.00 0.00 H new ATOM 0 HG LEU A 25 3.590 -3.354 5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.436 -4.406 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.729 -3.929 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.005 -2.947 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.959 -3.102 5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.591 -1.599 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.339 -1.685 5.923 1.00 0.00 H new ATOM 440 N LEU A 26 0.767 0.266 5.180 1.00 0.00 N ATOM 441 CA LEU A 26 -0.140 1.278 4.679 1.00 0.00 C ATOM 442 C LEU A 26 -0.406 2.352 5.718 1.00 0.00 C ATOM 443 O LEU A 26 -0.486 3.525 5.384 1.00 0.00 O ATOM 444 CB LEU A 26 -1.455 0.647 4.223 1.00 0.00 C ATOM 445 CG LEU A 26 -1.372 -0.168 2.932 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.585 -1.441 3.139 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.769 -0.473 2.413 1.00 0.00 C ATOM 0 H LEU A 26 0.372 -0.674 5.212 1.00 0.00 H new ATOM 0 HA LEU A 26 0.339 1.751 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.825 0.001 5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.192 1.439 4.087 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.845 0.427 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.543 -1.999 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.427 -1.195 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.070 -2.049 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.697 -1.054 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.318 -1.045 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.294 0.461 2.212 1.00 0.00 H new ATOM 459 N ASP A 27 -0.522 1.957 6.974 1.00 0.00 N ATOM 460 CA ASP A 27 -0.808 2.915 8.040 1.00 0.00 C ATOM 461 C ASP A 27 0.353 3.894 8.221 1.00 0.00 C ATOM 462 O ASP A 27 0.146 5.062 8.546 1.00 0.00 O ATOM 463 CB ASP A 27 -1.106 2.189 9.349 1.00 0.00 C ATOM 464 CG ASP A 27 -1.710 3.102 10.396 1.00 0.00 C ATOM 465 OD1 ASP A 27 -1.011 3.440 11.372 1.00 0.00 O ATOM 466 OD2 ASP A 27 -2.896 3.473 10.255 1.00 0.00 O ATOM 0 H ASP A 27 -0.425 0.990 7.284 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.691 3.486 7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.790 1.363 9.155 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.185 1.756 9.738 1.00 0.00 H new ATOM 471 N LYS A 28 1.576 3.417 7.998 1.00 0.00 N ATOM 472 CA LYS A 28 2.753 4.283 8.041 1.00 0.00 C ATOM 473 C LYS A 28 2.856 5.080 6.746 1.00 0.00 C ATOM 474 O LYS A 28 3.073 6.294 6.753 1.00 0.00 O ATOM 475 CB LYS A 28 4.031 3.457 8.220 1.00 0.00 C ATOM 476 CG LYS A 28 4.005 2.528 9.420 1.00 0.00 C ATOM 477 CD LYS A 28 5.251 1.658 9.475 1.00 0.00 C ATOM 478 CE LYS A 28 5.081 0.523 10.469 1.00 0.00 C ATOM 479 NZ LYS A 28 6.325 -0.272 10.640 1.00 0.00 N ATOM 0 H LYS A 28 1.778 2.440 7.787 1.00 0.00 H new ATOM 0 HA LYS A 28 2.646 4.960 8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.198 2.866 7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.879 4.135 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.929 3.115 10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.119 1.895 9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.458 1.251 8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.111 2.266 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.778 0.931 11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.277 -0.133 10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.158 -1.034 11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.602 -0.685 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.087 0.346 10.986 1.00 0.00 H new ATOM 493 N PHE A 29 2.679 4.377 5.636 1.00 0.00 N ATOM 494 CA PHE A 29 2.796 4.961 4.304 1.00 0.00 C ATOM 495 C PHE A 29 1.641 5.909 4.005 1.00 0.00 C ATOM 496 O PHE A 29 1.672 6.627 3.006 1.00 0.00 O ATOM 497 CB PHE A 29 2.836 3.854 3.241 1.00 0.00 C ATOM 498 CG PHE A 29 4.159 3.144 3.139 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.723 2.521 4.239 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.839 3.110 1.938 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.943 1.881 4.144 1.00 0.00 C ATOM 502 CE2 PHE A 29 6.059 2.470 1.833 1.00 0.00 C ATOM 503 CZ PHE A 29 6.613 1.857 2.939 1.00 0.00 C ATOM 0 H PHE A 29 2.450 3.383 5.632 1.00 0.00 H new ATOM 0 HA PHE A 29 3.724 5.532 4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.060 3.122 3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.594 4.288 2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.202 2.536 5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.412 3.590 1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.371 1.401 5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.579 2.449 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.569 1.360 2.861 1.00 0.00 H new ATOM 513 N GLN A 30 0.632 5.906 4.872 1.00 0.00 N ATOM 514 CA GLN A 30 -0.556 6.690 4.683 1.00 0.00 C ATOM 515 C GLN A 30 -0.233 8.148 4.423 1.00 0.00 C ATOM 516 O GLN A 30 -0.760 8.729 3.491 1.00 0.00 O ATOM 517 CB GLN A 30 -1.453 6.571 5.905 1.00 0.00 C ATOM 518 CG GLN A 30 -2.694 7.387 5.766 1.00 0.00 C ATOM 519 CD GLN A 30 -3.612 7.321 6.965 1.00 0.00 C ATOM 520 OE1 GLN A 30 -4.310 8.287 7.278 1.00 0.00 O ATOM 521 NE2 GLN A 30 -3.633 6.186 7.637 1.00 0.00 N ATOM 0 H GLN A 30 0.629 5.351 5.728 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.074 6.302 3.806 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.721 5.526 6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.905 6.892 6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.415 8.426 5.592 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.240 7.051 4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.039 5.410 7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.243 6.085 8.448 1.00 0.00 H new ATOM 530 N ASP A 31 0.645 8.726 5.235 1.00 0.00 N ATOM 531 CA ASP A 31 0.998 10.138 5.092 1.00 0.00 C ATOM 532 C ASP A 31 1.475 10.432 3.681 1.00 0.00 C ATOM 533 O ASP A 31 1.157 11.468 3.108 1.00 0.00 O ATOM 534 CB ASP A 31 2.105 10.535 6.062 1.00 0.00 C ATOM 535 CG ASP A 31 1.785 10.213 7.503 1.00 0.00 C ATOM 536 OD1 ASP A 31 0.852 10.818 8.067 1.00 0.00 O ATOM 537 OD2 ASP A 31 2.480 9.356 8.082 1.00 0.00 O ATOM 0 H ASP A 31 1.124 8.244 5.996 1.00 0.00 H new ATOM 0 HA ASP A 31 0.099 10.714 5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.026 10.025 5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.292 11.605 5.970 1.00 0.00 H new ATOM 542 N ASP A 32 2.240 9.505 3.134 1.00 0.00 N ATOM 543 CA ASP A 32 2.814 9.662 1.809 1.00 0.00 C ATOM 544 C ASP A 32 1.765 9.404 0.737 1.00 0.00 C ATOM 545 O ASP A 32 1.662 10.149 -0.230 1.00 0.00 O ATOM 546 CB ASP A 32 3.995 8.708 1.634 1.00 0.00 C ATOM 547 CG ASP A 32 5.036 8.873 2.724 1.00 0.00 C ATOM 548 OD1 ASP A 32 6.013 9.617 2.516 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.881 8.250 3.799 1.00 0.00 O ATOM 0 H ASP A 32 2.480 8.626 3.592 1.00 0.00 H new ATOM 0 HA ASP A 32 3.168 10.687 1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.632 7.680 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.459 8.882 0.663 1.00 0.00 H new ATOM 554 N ILE A 33 0.977 8.351 0.922 1.00 0.00 N ATOM 555 CA ILE A 33 -0.115 8.027 0.002 1.00 0.00 C ATOM 556 C ILE A 33 -1.163 9.141 0.005 1.00 0.00 C ATOM 557 O ILE A 33 -1.778 9.452 -1.013 1.00 0.00 O ATOM 558 CB ILE A 33 -0.788 6.694 0.398 1.00 0.00 C ATOM 559 CG1 ILE A 33 0.239 5.563 0.401 1.00 0.00 C ATOM 560 CG2 ILE A 33 -1.934 6.365 -0.549 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.203 4.339 1.175 1.00 0.00 C ATOM 0 H ILE A 33 1.072 7.702 1.703 1.00 0.00 H new ATOM 0 HA ILE A 33 0.308 7.929 -0.998 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.195 6.801 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.450 5.274 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.172 5.933 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.393 5.422 -0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.679 7.160 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.552 6.277 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.578 3.580 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.386 4.612 2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.119 3.943 0.737 1.00 0.00 H new ATOM 573 N LYS A 34 -1.331 9.748 1.160 1.00 0.00 N ATOM 574 CA LYS A 34 -2.308 10.797 1.370 1.00 0.00 C ATOM 575 C LYS A 34 -1.757 12.116 0.858 1.00 0.00 C ATOM 576 O LYS A 34 -2.496 12.997 0.425 1.00 0.00 O ATOM 577 CB LYS A 34 -2.613 10.860 2.852 1.00 0.00 C ATOM 578 CG LYS A 34 -3.856 11.632 3.226 1.00 0.00 C ATOM 579 CD LYS A 34 -4.313 11.195 4.600 1.00 0.00 C ATOM 580 CE LYS A 34 -5.562 11.920 5.067 1.00 0.00 C ATOM 581 NZ LYS A 34 -5.933 11.518 6.451 1.00 0.00 N ATOM 0 H LYS A 34 -0.785 9.524 1.992 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.228 10.592 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.711 9.842 3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.760 11.308 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.650 12.702 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.644 11.455 2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.505 10.122 4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.510 11.368 5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.396 12.997 5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.387 11.702 4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.790 12.030 6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.115 10.494 6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.154 11.749 7.100 1.00 0.00 H new ATOM 595 N ASP A 35 -0.445 12.230 0.908 1.00 0.00 N ATOM 596 CA ASP A 35 0.248 13.357 0.312 1.00 0.00 C ATOM 597 C ASP A 35 0.175 13.272 -1.209 1.00 0.00 C ATOM 598 O ASP A 35 -0.203 14.232 -1.883 1.00 0.00 O ATOM 599 CB ASP A 35 1.706 13.387 0.762 1.00 0.00 C ATOM 600 CG ASP A 35 2.473 14.556 0.182 1.00 0.00 C ATOM 601 OD1 ASP A 35 2.219 15.704 0.600 1.00 0.00 O ATOM 602 OD2 ASP A 35 3.346 14.330 -0.685 1.00 0.00 O ATOM 0 H ASP A 35 0.168 11.551 1.359 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.238 14.275 0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.745 13.436 1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.192 12.457 0.467 1.00 0.00 H new ATOM 607 N LYS A 36 0.532 12.104 -1.736 1.00 0.00 N ATOM 608 CA LYS A 36 0.524 11.862 -3.168 1.00 0.00 C ATOM 609 C LYS A 36 -0.885 11.886 -3.754 1.00 0.00 C ATOM 610 O LYS A 36 -1.137 12.559 -4.753 1.00 0.00 O ATOM 611 CB LYS A 36 1.171 10.514 -3.468 1.00 0.00 C ATOM 612 CG LYS A 36 2.645 10.435 -3.122 1.00 0.00 C ATOM 613 CD LYS A 36 3.216 9.115 -3.559 1.00 0.00 C ATOM 614 CE LYS A 36 4.734 9.074 -3.441 1.00 0.00 C ATOM 615 NZ LYS A 36 5.398 9.913 -4.473 1.00 0.00 N ATOM 0 H LYS A 36 0.834 11.303 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 36 1.091 12.668 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.639 9.739 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.047 10.293 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.183 11.250 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.780 10.559 -2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.785 8.317 -2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.929 8.922 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.030 9.418 -2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.077 8.044 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.423 9.739 -4.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.022 9.671 -5.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.214 10.917 -4.275 1.00 0.00 H new ATOM 629 N TYR A 37 -1.797 11.144 -3.141 1.00 0.00 N ATOM 630 CA TYR A 37 -3.128 10.951 -3.710 1.00 0.00 C ATOM 631 C TYR A 37 -4.215 11.503 -2.795 1.00 0.00 C ATOM 632 O TYR A 37 -5.203 12.069 -3.259 1.00 0.00 O ATOM 633 CB TYR A 37 -3.375 9.459 -3.953 1.00 0.00 C ATOM 634 CG TYR A 37 -2.239 8.767 -4.675 1.00 0.00 C ATOM 635 CD1 TYR A 37 -2.111 8.844 -6.055 1.00 0.00 C ATOM 636 CD2 TYR A 37 -1.290 8.040 -3.966 1.00 0.00 C ATOM 637 CE1 TYR A 37 -1.069 8.215 -6.709 1.00 0.00 C ATOM 638 CE2 TYR A 37 -0.246 7.409 -4.610 1.00 0.00 C ATOM 639 CZ TYR A 37 -0.139 7.499 -5.983 1.00 0.00 C ATOM 640 OH TYR A 37 0.898 6.871 -6.631 1.00 0.00 O ATOM 0 H TYR A 37 -1.643 10.667 -2.253 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.170 11.495 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.540 8.966 -2.995 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.290 9.340 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.837 9.404 -6.626 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.371 7.968 -2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.983 8.283 -7.783 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.483 6.848 -4.044 1.00 0.00 H new ATOM 0 HH TYR A 37 1.463 6.412 -5.975 1.00 0.00 H new ATOM 650 N GLY A 38 -4.025 11.341 -1.496 1.00 0.00 N ATOM 651 CA GLY A 38 -5.040 11.757 -0.539 1.00 0.00 C ATOM 652 C GLY A 38 -5.955 10.614 -0.156 1.00 0.00 C ATOM 653 O GLY A 38 -7.157 10.656 -0.415 1.00 0.00 O ATOM 0 H GLY A 38 -3.188 10.930 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.557 12.151 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.631 12.568 -0.965 1.00 0.00 H new ATOM 657 N VAL A 39 -5.381 9.588 0.462 1.00 0.00 N ATOM 658 CA VAL A 39 -6.105 8.367 0.765 1.00 0.00 C ATOM 659 C VAL A 39 -6.010 8.010 2.250 1.00 0.00 C ATOM 660 O VAL A 39 -5.025 8.332 2.915 1.00 0.00 O ATOM 661 CB VAL A 39 -5.519 7.196 -0.043 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.372 5.949 0.093 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.347 7.570 -1.508 1.00 0.00 C ATOM 0 H VAL A 39 -4.407 9.582 0.764 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.149 8.537 0.503 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.534 6.977 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.930 5.141 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.422 5.655 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.377 6.154 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.931 6.723 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.316 7.835 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.671 8.421 -1.589 1.00 0.00 H new ATOM 673 N ASP A 40 -7.043 7.349 2.753 1.00 0.00 N ATOM 674 CA ASP A 40 -7.007 6.727 4.075 1.00 0.00 C ATOM 675 C ASP A 40 -6.739 5.240 3.900 1.00 0.00 C ATOM 676 O ASP A 40 -7.427 4.568 3.131 1.00 0.00 O ATOM 677 CB ASP A 40 -8.325 6.934 4.829 1.00 0.00 C ATOM 678 CG ASP A 40 -8.322 6.264 6.194 1.00 0.00 C ATOM 679 OD1 ASP A 40 -7.934 6.920 7.184 1.00 0.00 O ATOM 680 OD2 ASP A 40 -8.710 5.082 6.285 1.00 0.00 O ATOM 0 H ASP A 40 -7.928 7.227 2.261 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.216 7.192 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.507 8.002 4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.147 6.537 4.234 1.00 0.00 H new ATOM 685 N THR A 41 -5.749 4.722 4.599 1.00 0.00 N ATOM 686 CA THR A 41 -5.279 3.373 4.340 1.00 0.00 C ATOM 687 C THR A 41 -6.057 2.301 5.096 1.00 0.00 C ATOM 688 O THR A 41 -5.885 1.114 4.832 1.00 0.00 O ATOM 689 CB THR A 41 -3.790 3.251 4.657 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.497 3.913 5.896 1.00 0.00 O ATOM 691 CG2 THR A 41 -2.960 3.855 3.535 1.00 0.00 C ATOM 0 H THR A 41 -5.256 5.210 5.347 1.00 0.00 H new ATOM 0 HA THR A 41 -5.449 3.197 3.278 1.00 0.00 H new ATOM 0 HB THR A 41 -3.537 2.195 4.749 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.593 3.279 6.637 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.901 3.761 3.775 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.169 3.329 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.214 4.909 3.421 1.00 0.00 H new ATOM 699 N LYS A 42 -6.911 2.705 6.022 1.00 0.00 N ATOM 700 CA LYS A 42 -7.741 1.757 6.731 1.00 0.00 C ATOM 701 C LYS A 42 -9.077 1.610 6.003 1.00 0.00 C ATOM 702 O LYS A 42 -9.875 0.717 6.293 1.00 0.00 O ATOM 703 CB LYS A 42 -7.938 2.211 8.176 1.00 0.00 C ATOM 704 CG LYS A 42 -8.712 1.212 9.001 1.00 0.00 C ATOM 705 CD LYS A 42 -8.671 1.532 10.485 1.00 0.00 C ATOM 706 CE LYS A 42 -9.449 0.501 11.287 1.00 0.00 C ATOM 707 NZ LYS A 42 -10.914 0.605 11.057 1.00 0.00 N ATOM 0 H LYS A 42 -7.044 3.678 6.296 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.253 0.783 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.964 2.378 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.463 3.166 8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.749 1.193 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.304 0.215 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.636 1.558 10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.089 2.524 10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.110 -0.499 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.239 0.633 12.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.415 -0.020 11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.220 1.587 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.133 0.321 10.081 1.00 0.00 H new ATOM 721 N ASP A 43 -9.295 2.492 5.039 1.00 0.00 N ATOM 722 CA ASP A 43 -10.460 2.419 4.167 1.00 0.00 C ATOM 723 C ASP A 43 -10.214 1.326 3.156 1.00 0.00 C ATOM 724 O ASP A 43 -11.127 0.662 2.661 1.00 0.00 O ATOM 725 CB ASP A 43 -10.643 3.746 3.443 1.00 0.00 C ATOM 726 CG ASP A 43 -12.007 3.899 2.808 1.00 0.00 C ATOM 727 OD1 ASP A 43 -12.106 3.834 1.565 1.00 0.00 O ATOM 728 OD2 ASP A 43 -12.992 4.118 3.546 1.00 0.00 O ATOM 0 H ASP A 43 -8.673 3.275 4.839 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.357 2.209 4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.485 4.562 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.878 3.839 2.672 1.00 0.00 H new ATOM 733 N LEU A 44 -8.939 1.160 2.884 1.00 0.00 N ATOM 734 CA LEU A 44 -8.446 0.180 1.944 1.00 0.00 C ATOM 735 C LEU A 44 -8.446 -1.213 2.561 1.00 0.00 C ATOM 736 O LEU A 44 -7.652 -1.501 3.455 1.00 0.00 O ATOM 737 CB LEU A 44 -7.022 0.562 1.546 1.00 0.00 C ATOM 738 CG LEU A 44 -6.840 2.014 1.109 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.366 2.339 0.965 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.576 2.277 -0.197 1.00 0.00 C ATOM 0 H LEU A 44 -8.201 1.714 3.319 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.096 0.164 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.361 0.367 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.701 -0.089 0.733 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.265 2.662 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.251 3.377 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.865 2.190 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.920 1.684 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.434 3.317 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.182 1.623 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.639 2.080 -0.061 1.00 0.00 H new ATOM 752 N LYS A 45 -9.344 -2.069 2.099 1.00 0.00 N ATOM 753 CA LYS A 45 -9.363 -3.447 2.551 1.00 0.00 C ATOM 754 C LYS A 45 -8.191 -4.194 1.946 1.00 0.00 C ATOM 755 O LYS A 45 -8.149 -4.406 0.735 1.00 0.00 O ATOM 756 CB LYS A 45 -10.669 -4.130 2.152 1.00 0.00 C ATOM 757 CG LYS A 45 -10.754 -5.578 2.604 1.00 0.00 C ATOM 758 CD LYS A 45 -11.975 -6.275 2.029 1.00 0.00 C ATOM 759 CE LYS A 45 -12.100 -7.704 2.542 1.00 0.00 C ATOM 760 NZ LYS A 45 -10.886 -8.517 2.258 1.00 0.00 N ATOM 0 H LYS A 45 -10.064 -1.834 1.416 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.286 -3.458 3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.505 -3.575 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.776 -4.088 1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.853 -6.109 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.791 -5.618 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.872 -5.714 2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.911 -6.283 0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.279 -7.687 3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.967 -8.178 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.080 -9.516 2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.630 -8.419 1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.099 -8.184 2.850 1.00 0.00 H new ATOM 774 N ILE A 46 -7.239 -4.582 2.776 1.00 0.00 N ATOM 775 CA ILE A 46 -6.078 -5.301 2.289 1.00 0.00 C ATOM 776 C ILE A 46 -6.452 -6.735 1.949 1.00 0.00 C ATOM 777 O ILE A 46 -6.786 -7.538 2.820 1.00 0.00 O ATOM 778 CB ILE A 46 -4.898 -5.272 3.284 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.493 -3.821 3.581 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.721 -6.053 2.713 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.235 -3.685 4.418 1.00 0.00 C ATOM 0 H ILE A 46 -7.247 -4.413 3.782 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.741 -4.790 1.387 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.206 -5.740 4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.346 -3.296 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.315 -3.325 4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.891 -6.029 3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.020 -7.087 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.408 -5.603 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.019 -2.629 4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.382 -4.179 5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.399 -4.149 3.896 1.00 0.00 H new ATOM 793 N LEU A 47 -6.415 -7.027 0.663 1.00 0.00 N ATOM 794 CA LEU A 47 -6.800 -8.324 0.140 1.00 0.00 C ATOM 795 C LEU A 47 -5.612 -9.266 0.185 1.00 0.00 C ATOM 796 O LEU A 47 -5.752 -10.464 0.434 1.00 0.00 O ATOM 797 CB LEU A 47 -7.258 -8.179 -1.310 1.00 0.00 C ATOM 798 CG LEU A 47 -8.081 -6.928 -1.618 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.407 -6.865 -3.100 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.358 -6.901 -0.792 1.00 0.00 C ATOM 0 H LEU A 47 -6.115 -6.366 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.613 -8.723 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.378 -8.181 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.849 -9.056 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.487 -6.054 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.993 -5.969 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.482 -6.833 -3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.980 -7.747 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.926 -6.001 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.959 -7.781 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.106 -6.902 0.268 1.00 0.00 H new ATOM 812 N LYS A 48 -4.440 -8.703 -0.063 1.00 0.00 N ATOM 813 CA LYS A 48 -3.220 -9.476 -0.150 1.00 0.00 C ATOM 814 C LYS A 48 -2.012 -8.602 0.125 1.00 0.00 C ATOM 815 O LYS A 48 -1.759 -7.637 -0.593 1.00 0.00 O ATOM 816 CB LYS A 48 -3.070 -10.086 -1.543 1.00 0.00 C ATOM 817 CG LYS A 48 -1.765 -10.845 -1.736 1.00 0.00 C ATOM 818 CD LYS A 48 -1.400 -10.913 -3.212 1.00 0.00 C ATOM 819 CE LYS A 48 0.059 -11.275 -3.439 1.00 0.00 C ATOM 820 NZ LYS A 48 0.391 -12.638 -2.955 1.00 0.00 N ATOM 0 H LYS A 48 -4.312 -7.702 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.278 -10.268 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.905 -10.762 -1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.133 -9.292 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.966 -10.354 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.861 -11.853 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.034 -11.650 -3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.608 -9.950 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.285 -11.206 -4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.693 -10.549 -2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.963 -13.130 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.929 -12.570 -2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.487 -13.170 -2.788 1.00 0.00 H new ATOM 834 N THR A 49 -1.281 -8.928 1.166 1.00 0.00 N ATOM 835 CA THR A 49 0.020 -8.336 1.370 1.00 0.00 C ATOM 836 C THR A 49 1.087 -9.377 1.056 1.00 0.00 C ATOM 837 O THR A 49 1.033 -10.489 1.569 1.00 0.00 O ATOM 838 CB THR A 49 0.205 -7.847 2.816 1.00 0.00 C ATOM 839 OG1 THR A 49 -1.005 -7.253 3.296 1.00 0.00 O ATOM 840 CG2 THR A 49 1.326 -6.826 2.890 1.00 0.00 C ATOM 0 H THR A 49 -1.564 -9.597 1.882 1.00 0.00 H new ATOM 0 HA THR A 49 0.109 -7.473 0.710 1.00 0.00 H new ATOM 0 HB THR A 49 0.459 -8.706 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.501 -7.908 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.444 -6.490 3.920 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.256 -7.281 2.548 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.084 -5.973 2.255 1.00 0.00 H new ATOM 848 N SER A 50 2.014 -9.045 0.181 1.00 0.00 N ATOM 849 CA SER A 50 3.141 -9.922 -0.106 1.00 0.00 C ATOM 850 C SER A 50 4.295 -9.090 -0.638 1.00 0.00 C ATOM 851 O SER A 50 4.123 -7.903 -0.925 1.00 0.00 O ATOM 852 CB SER A 50 2.753 -11.000 -1.125 1.00 0.00 C ATOM 853 OG SER A 50 1.691 -11.810 -0.644 1.00 0.00 O ATOM 0 H SER A 50 2.013 -8.173 -0.347 1.00 0.00 H new ATOM 0 HA SER A 50 3.441 -10.424 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.457 -10.528 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.619 -11.625 -1.343 1.00 0.00 H new ATOM 0 HG SER A 50 1.578 -11.663 0.318 1.00 0.00 H new ATOM 859 N GLU A 51 5.460 -9.695 -0.779 1.00 0.00 N ATOM 860 CA GLU A 51 6.619 -8.966 -1.246 1.00 0.00 C ATOM 861 C GLU A 51 7.448 -9.787 -2.219 1.00 0.00 C ATOM 862 O GLU A 51 7.158 -10.956 -2.484 1.00 0.00 O ATOM 863 CB GLU A 51 7.482 -8.515 -0.069 1.00 0.00 C ATOM 864 CG GLU A 51 8.001 -9.645 0.800 1.00 0.00 C ATOM 865 CD GLU A 51 8.950 -9.138 1.862 1.00 0.00 C ATOM 866 OE1 GLU A 51 8.622 -9.243 3.059 1.00 0.00 O ATOM 867 OE2 GLU A 51 10.013 -8.595 1.490 1.00 0.00 O ATOM 0 H GLU A 51 5.626 -10.681 -0.578 1.00 0.00 H new ATOM 0 HA GLU A 51 6.256 -8.087 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.331 -7.950 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.900 -7.834 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.162 -10.155 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.510 -10.380 0.177 1.00 0.00 H new ATOM 874 N ASP A 52 8.470 -9.147 -2.750 1.00 0.00 N ATOM 875 CA ASP A 52 9.380 -9.758 -3.696 1.00 0.00 C ATOM 876 C ASP A 52 10.725 -9.048 -3.570 1.00 0.00 C ATOM 877 O ASP A 52 10.967 -8.369 -2.570 1.00 0.00 O ATOM 878 CB ASP A 52 8.818 -9.630 -5.119 1.00 0.00 C ATOM 879 CG ASP A 52 9.471 -10.579 -6.102 1.00 0.00 C ATOM 880 OD1 ASP A 52 10.430 -10.165 -6.785 1.00 0.00 O ATOM 881 OD2 ASP A 52 9.027 -11.739 -6.195 1.00 0.00 O ATOM 0 H ASP A 52 8.694 -8.176 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 52 9.504 -10.821 -3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.745 -9.820 -5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.954 -8.606 -5.466 1.00 0.00 H new ATOM 886 N LYS A 53 11.587 -9.187 -4.565 1.00 0.00 N ATOM 887 CA LYS A 53 12.882 -8.522 -4.552 1.00 0.00 C ATOM 888 C LYS A 53 12.697 -7.010 -4.438 1.00 0.00 C ATOM 889 O LYS A 53 12.294 -6.362 -5.402 1.00 0.00 O ATOM 890 CB LYS A 53 13.662 -8.852 -5.828 1.00 0.00 C ATOM 891 CG LYS A 53 13.893 -10.339 -6.050 1.00 0.00 C ATOM 892 CD LYS A 53 14.882 -10.918 -5.051 1.00 0.00 C ATOM 893 CE LYS A 53 15.140 -12.391 -5.327 1.00 0.00 C ATOM 894 NZ LYS A 53 16.247 -12.935 -4.497 1.00 0.00 N ATOM 0 H LYS A 53 11.413 -9.756 -5.394 1.00 0.00 H new ATOM 0 HA LYS A 53 13.445 -8.879 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.123 -8.447 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.627 -8.347 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.944 -10.869 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.264 -10.501 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.820 -10.366 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.495 -10.797 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.230 -12.959 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.380 -12.524 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.386 -13.941 -4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.122 -12.411 -4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.008 -12.833 -3.490 1.00 0.00 H new ATOM 908 N ARG A 54 12.933 -6.481 -3.233 1.00 0.00 N ATOM 909 CA ARG A 54 12.908 -5.037 -2.967 1.00 0.00 C ATOM 910 C ARG A 54 11.482 -4.482 -2.866 1.00 0.00 C ATOM 911 O ARG A 54 11.265 -3.439 -2.258 1.00 0.00 O ATOM 912 CB ARG A 54 13.681 -4.273 -4.048 1.00 0.00 C ATOM 913 CG ARG A 54 13.867 -2.799 -3.746 1.00 0.00 C ATOM 914 CD ARG A 54 14.249 -2.018 -4.992 1.00 0.00 C ATOM 915 NE ARG A 54 15.369 -2.624 -5.711 1.00 0.00 N ATOM 916 CZ ARG A 54 16.516 -1.998 -5.962 1.00 0.00 C ATOM 917 NH1 ARG A 54 16.731 -0.783 -5.475 1.00 0.00 N ATOM 918 NH2 ARG A 54 17.449 -2.591 -6.696 1.00 0.00 N ATOM 0 H ARG A 54 13.148 -7.044 -2.410 1.00 0.00 H new ATOM 0 HA ARG A 54 13.390 -4.892 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.661 -4.734 -4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.155 -4.376 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.945 -2.393 -3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.640 -2.677 -2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.387 -1.955 -5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.511 -0.998 -4.711 1.00 0.00 H new ATOM 0 HE ARG A 54 15.265 -3.584 -6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.017 -0.327 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.611 -0.304 -5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.287 -3.527 -7.068 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.328 -2.111 -6.888 1.00 0.00 H new ATOM 932 N PHE A 55 10.510 -5.181 -3.428 1.00 0.00 N ATOM 933 CA PHE A 55 9.160 -4.639 -3.538 1.00 0.00 C ATOM 934 C PHE A 55 8.173 -5.306 -2.584 1.00 0.00 C ATOM 935 O PHE A 55 8.241 -6.504 -2.334 1.00 0.00 O ATOM 936 CB PHE A 55 8.642 -4.782 -4.972 1.00 0.00 C ATOM 937 CG PHE A 55 9.301 -3.870 -5.970 1.00 0.00 C ATOM 938 CD1 PHE A 55 8.723 -2.654 -6.300 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.483 -4.233 -6.591 1.00 0.00 C ATOM 940 CE1 PHE A 55 9.313 -1.820 -7.230 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.080 -3.402 -7.520 1.00 0.00 C ATOM 942 CZ PHE A 55 10.494 -2.194 -7.840 1.00 0.00 C ATOM 0 H PHE A 55 10.626 -6.118 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 55 9.230 -3.587 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.783 -5.814 -5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.569 -4.590 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.801 -2.355 -5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.945 -5.178 -6.347 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.851 -0.876 -7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.004 -3.697 -7.995 1.00 0.00 H new ATOM 0 HZ PHE A 55 10.958 -1.543 -8.566 1.00 0.00 H new ATOM 952 N TYR A 56 7.279 -4.493 -2.045 1.00 0.00 N ATOM 953 CA TYR A 56 6.085 -4.949 -1.343 1.00 0.00 C ATOM 954 C TYR A 56 4.875 -4.618 -2.196 1.00 0.00 C ATOM 955 O TYR A 56 4.835 -3.566 -2.832 1.00 0.00 O ATOM 956 CB TYR A 56 5.914 -4.245 0.011 1.00 0.00 C ATOM 957 CG TYR A 56 6.465 -4.992 1.199 1.00 0.00 C ATOM 958 CD1 TYR A 56 5.857 -6.152 1.656 1.00 0.00 C ATOM 959 CD2 TYR A 56 7.581 -4.526 1.873 1.00 0.00 C ATOM 960 CE1 TYR A 56 6.356 -6.832 2.748 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.088 -5.198 2.965 1.00 0.00 C ATOM 962 CZ TYR A 56 7.473 -6.352 3.399 1.00 0.00 C ATOM 963 OH TYR A 56 7.983 -7.030 4.478 1.00 0.00 O ATOM 0 H TYR A 56 7.362 -3.477 -2.083 1.00 0.00 H new ATOM 0 HA TYR A 56 6.183 -6.020 -1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.399 -3.270 -0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.852 -4.065 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.980 -6.528 1.150 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.063 -3.620 1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.874 -7.736 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.962 -4.822 3.477 1.00 0.00 H new ATOM 0 HH TYR A 56 8.295 -7.914 4.191 1.00 0.00 H new ATOM 973 N TYR A 57 3.892 -5.493 -2.214 1.00 0.00 N ATOM 974 CA TYR A 57 2.677 -5.229 -2.960 1.00 0.00 C ATOM 975 C TYR A 57 1.455 -5.535 -2.118 1.00 0.00 C ATOM 976 O TYR A 57 1.216 -6.681 -1.729 1.00 0.00 O ATOM 977 CB TYR A 57 2.653 -6.022 -4.264 1.00 0.00 C ATOM 978 CG TYR A 57 3.707 -5.566 -5.244 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.668 -4.285 -5.785 1.00 0.00 C ATOM 980 CD2 TYR A 57 4.743 -6.408 -5.621 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.632 -3.858 -6.673 1.00 0.00 C ATOM 982 CE2 TYR A 57 5.711 -5.988 -6.511 1.00 0.00 C ATOM 983 CZ TYR A 57 5.651 -4.713 -7.031 1.00 0.00 C ATOM 984 OH TYR A 57 6.608 -4.298 -7.924 1.00 0.00 O ATOM 0 H TYR A 57 3.908 -6.388 -1.725 1.00 0.00 H new ATOM 0 HA TYR A 57 2.659 -4.169 -3.213 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.801 -7.079 -4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.670 -5.927 -4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.869 -3.614 -5.505 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.793 -7.406 -5.212 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.589 -2.861 -7.085 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.511 -6.655 -6.798 1.00 0.00 H new ATOM 0 HH TYR A 57 7.324 -3.832 -7.443 1.00 0.00 H new ATOM 994 N VAL A 58 0.697 -4.491 -1.824 1.00 0.00 N ATOM 995 CA VAL A 58 -0.497 -4.618 -1.012 1.00 0.00 C ATOM 996 C VAL A 58 -1.745 -4.435 -1.864 1.00 0.00 C ATOM 997 O VAL A 58 -2.136 -3.311 -2.176 1.00 0.00 O ATOM 998 CB VAL A 58 -0.516 -3.592 0.142 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.721 -3.826 1.032 1.00 0.00 C ATOM 1000 CG2 VAL A 58 0.774 -3.657 0.943 1.00 0.00 C ATOM 0 H VAL A 58 0.892 -3.541 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.487 -5.620 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.593 -2.592 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.723 -3.096 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.633 -3.719 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.675 -4.832 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.738 -2.926 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.891 -4.656 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.619 -3.436 0.291 1.00 0.00 H new ATOM 1010 N SER A 59 -2.350 -5.540 -2.259 1.00 0.00 N ATOM 1011 CA SER A 59 -3.584 -5.496 -3.018 1.00 0.00 C ATOM 1012 C SER A 59 -4.730 -5.120 -2.092 1.00 0.00 C ATOM 1013 O SER A 59 -4.889 -5.719 -1.034 1.00 0.00 O ATOM 1014 CB SER A 59 -3.851 -6.854 -3.661 1.00 0.00 C ATOM 1015 OG SER A 59 -2.695 -7.332 -4.328 1.00 0.00 O ATOM 0 H SER A 59 -2.005 -6.480 -2.066 1.00 0.00 H new ATOM 0 HA SER A 59 -3.498 -4.749 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.157 -7.569 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.676 -6.770 -4.369 1.00 0.00 H new ATOM 0 HG SER A 59 -2.887 -8.204 -4.732 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.510 -4.124 -2.476 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.592 -3.637 -1.633 1.00 0.00 C ATOM 1023 C VAL A 60 -7.841 -3.353 -2.453 1.00 0.00 C ATOM 1024 O VAL A 60 -7.766 -3.138 -3.661 1.00 0.00 O ATOM 1025 CB VAL A 60 -6.203 -2.342 -0.880 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -5.002 -2.569 0.021 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.932 -1.210 -1.858 1.00 0.00 C ATOM 0 H VAL A 60 -5.415 -3.636 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.791 -4.427 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.046 -2.058 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.753 -1.641 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.238 -3.340 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.151 -2.889 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.660 -0.310 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.113 -1.490 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.828 -1.017 -2.449 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.982 -3.372 -1.788 1.00 0.00 N ATOM 1038 CA ASP A 61 -10.222 -2.904 -2.386 1.00 0.00 C ATOM 1039 C ASP A 61 -10.491 -1.502 -1.869 1.00 0.00 C ATOM 1040 O ASP A 61 -10.771 -1.311 -0.683 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.394 -3.830 -2.039 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.663 -3.504 -2.817 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -13.482 -4.424 -3.035 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.853 -2.334 -3.212 1.00 0.00 O ATOM 0 H ASP A 61 -9.077 -3.708 -0.830 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.124 -2.901 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.106 -4.862 -2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.601 -3.760 -0.971 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.381 -0.523 -2.749 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.482 0.874 -2.352 1.00 0.00 C ATOM 1051 C ALA A 62 -11.926 1.358 -2.350 1.00 0.00 C ATOM 1052 O ALA A 62 -12.193 2.525 -2.059 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.635 1.743 -3.267 1.00 0.00 C ATOM 0 H ALA A 62 -10.221 -0.668 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.107 0.956 -1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.719 2.785 -2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.593 1.429 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.984 1.638 -4.294 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.855 0.472 -2.670 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.248 0.856 -2.691 1.00 0.00 C ATOM 1061 C GLY A 63 -15.175 -0.328 -2.773 1.00 0.00 C ATOM 1062 O GLY A 63 -15.278 -1.119 -1.834 1.00 0.00 O ATOM 0 H GLY A 63 -12.670 -0.501 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.476 1.430 -1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.427 1.512 -3.543 1.00 0.00 H new ATOM 1066 N ASP A 64 -15.862 -0.442 -3.895 1.00 0.00 N ATOM 1067 CA ASP A 64 -16.722 -1.582 -4.150 1.00 0.00 C ATOM 1068 C ASP A 64 -16.191 -2.351 -5.341 1.00 0.00 C ATOM 1069 O ASP A 64 -16.650 -2.176 -6.470 1.00 0.00 O ATOM 1070 CB ASP A 64 -18.168 -1.151 -4.400 1.00 0.00 C ATOM 1071 CG ASP A 64 -19.079 -2.338 -4.648 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -19.526 -2.529 -5.800 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -19.344 -3.094 -3.693 1.00 0.00 O ATOM 0 H ASP A 64 -15.840 0.246 -4.648 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.720 -2.221 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -18.532 -0.588 -3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -18.203 -0.481 -5.259 1.00 0.00 H new ATOM 1078 N GLY A 65 -15.167 -3.144 -5.094 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.569 -3.921 -6.151 1.00 0.00 C ATOM 1080 C GLY A 65 -13.472 -3.146 -6.825 1.00 0.00 C ATOM 1081 O GLY A 65 -12.882 -3.602 -7.800 1.00 0.00 O ATOM 0 H GLY A 65 -14.737 -3.264 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.168 -4.849 -5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.329 -4.195 -6.882 1.00 0.00 H new ATOM 1085 N GLU A 66 -13.200 -1.965 -6.291 1.00 0.00 N ATOM 1086 CA GLU A 66 -12.185 -1.094 -6.827 1.00 0.00 C ATOM 1087 C GLU A 66 -10.822 -1.561 -6.372 1.00 0.00 C ATOM 1088 O GLU A 66 -10.253 -1.067 -5.400 1.00 0.00 O ATOM 1089 CB GLU A 66 -12.465 0.332 -6.409 1.00 0.00 C ATOM 1090 CG GLU A 66 -13.698 0.882 -7.090 1.00 0.00 C ATOM 1091 CD GLU A 66 -14.405 1.948 -6.277 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -15.417 1.624 -5.616 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -13.962 3.115 -6.293 1.00 0.00 O ATOM 0 H GLU A 66 -13.681 -1.590 -5.473 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.199 -1.128 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.596 0.375 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.606 0.958 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.415 1.299 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.392 0.064 -7.286 1.00 0.00 H new ATOM 1100 N LYS A 67 -10.332 -2.540 -7.090 1.00 0.00 N ATOM 1101 CA LYS A 67 -9.157 -3.274 -6.696 1.00 0.00 C ATOM 1102 C LYS A 67 -7.884 -2.541 -7.086 1.00 0.00 C ATOM 1103 O LYS A 67 -7.749 -2.014 -8.196 1.00 0.00 O ATOM 1104 CB LYS A 67 -9.193 -4.673 -7.304 1.00 0.00 C ATOM 1105 CG LYS A 67 -8.338 -5.684 -6.563 1.00 0.00 C ATOM 1106 CD LYS A 67 -8.609 -7.098 -7.054 1.00 0.00 C ATOM 1107 CE LYS A 67 -10.082 -7.458 -6.905 1.00 0.00 C ATOM 1108 NZ LYS A 67 -10.392 -8.802 -7.454 1.00 0.00 N ATOM 0 H LYS A 67 -10.741 -2.852 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.155 -3.362 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.224 -5.026 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.858 -4.618 -8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.284 -5.444 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.541 -5.622 -5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.314 -7.186 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.000 -7.805 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.357 -7.427 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.690 -6.711 -7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.405 -9.002 -7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.156 -8.826 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.833 -9.520 -6.951 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.963 -2.513 -6.152 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.704 -1.828 -6.311 1.00 0.00 C ATOM 1124 C CYS A 68 -4.596 -2.687 -5.726 1.00 0.00 C ATOM 1125 O CYS A 68 -4.867 -3.682 -5.059 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.776 -0.483 -5.585 1.00 0.00 C ATOM 1127 SG CYS A 68 -4.394 0.656 -5.914 1.00 0.00 S ATOM 0 H CYS A 68 -7.070 -2.972 -5.248 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.496 -1.652 -7.367 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.707 0.012 -5.863 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.823 -0.670 -4.512 1.00 0.00 H new ATOM 1132 N LYS A 69 -3.363 -2.312 -5.985 1.00 0.00 N ATOM 1133 CA LYS A 69 -2.216 -2.991 -5.400 1.00 0.00 C ATOM 1134 C LYS A 69 -1.113 -1.975 -5.159 1.00 0.00 C ATOM 1135 O LYS A 69 -0.540 -1.428 -6.101 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.715 -4.129 -6.299 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.592 -4.939 -5.670 1.00 0.00 C ATOM 1138 CD LYS A 69 -0.142 -6.102 -6.546 1.00 0.00 C ATOM 1139 CE LYS A 69 0.695 -5.634 -7.728 1.00 0.00 C ATOM 1140 NZ LYS A 69 1.289 -6.767 -8.486 1.00 0.00 N ATOM 0 H LYS A 69 -3.123 -1.535 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.518 -3.440 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.547 -4.793 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.368 -3.711 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.258 -4.285 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.923 -5.323 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.437 -6.804 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.016 -6.640 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.073 -5.039 -8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.492 -4.982 -7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.993 -6.403 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.750 -7.424 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.540 -7.268 -9.005 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.851 -1.699 -3.896 1.00 0.00 N ATOM 1155 CA PHE A 70 0.145 -0.715 -3.525 1.00 0.00 C ATOM 1156 C PHE A 70 1.541 -1.187 -3.863 1.00 0.00 C ATOM 1157 O PHE A 70 1.987 -2.241 -3.413 1.00 0.00 O ATOM 1158 CB PHE A 70 0.038 -0.370 -2.044 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.039 0.630 -1.776 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -0.728 1.972 -1.648 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.360 0.238 -1.677 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -1.717 2.904 -1.424 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.353 1.167 -1.451 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.030 2.503 -1.325 1.00 0.00 C ATOM 0 H PHE A 70 -1.317 -2.146 -3.106 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.050 0.187 -4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.161 -1.278 -1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.992 0.023 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.301 2.292 -1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.617 -0.806 -1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.462 3.949 -1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.382 0.850 -1.373 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.806 3.233 -1.149 1.00 0.00 H new ATOM 1174 N LYS A 71 2.212 -0.386 -4.663 1.00 0.00 N ATOM 1175 CA LYS A 71 3.561 -0.668 -5.096 1.00 0.00 C ATOM 1176 C LYS A 71 4.542 -0.085 -4.089 1.00 0.00 C ATOM 1177 O LYS A 71 5.196 0.937 -4.325 1.00 0.00 O ATOM 1178 CB LYS A 71 3.759 -0.081 -6.492 1.00 0.00 C ATOM 1179 CG LYS A 71 5.158 -0.184 -7.065 1.00 0.00 C ATOM 1180 CD LYS A 71 5.198 0.549 -8.390 1.00 0.00 C ATOM 1181 CE LYS A 71 6.511 0.361 -9.128 1.00 0.00 C ATOM 1182 NZ LYS A 71 6.558 1.188 -10.364 1.00 0.00 N ATOM 0 H LYS A 71 1.832 0.485 -5.033 1.00 0.00 H new ATOM 0 HA LYS A 71 3.739 -1.742 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.071 -0.579 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.476 0.971 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.882 0.247 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.433 -1.230 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.380 0.198 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.033 1.612 -8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.340 0.632 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.639 -0.690 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.547 1.312 -10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.026 0.712 -11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.134 2.119 -10.175 1.00 0.00 H new ATOM 1196 N ILE A 72 4.593 -0.719 -2.936 1.00 0.00 N ATOM 1197 CA ILE A 72 5.479 -0.299 -1.880 1.00 0.00 C ATOM 1198 C ILE A 72 6.880 -0.813 -2.161 1.00 0.00 C ATOM 1199 O ILE A 72 7.228 -1.924 -1.804 1.00 0.00 O ATOM 1200 CB ILE A 72 4.990 -0.794 -0.498 1.00 0.00 C ATOM 1201 CG1 ILE A 72 3.676 -0.098 -0.121 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.044 -0.561 0.575 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.104 -0.550 1.210 1.00 0.00 C ATOM 0 H ILE A 72 4.024 -1.534 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 72 5.489 0.791 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 72 4.814 -1.868 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.842 0.979 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.940 -0.283 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.671 -0.919 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.954 -1.101 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.262 0.505 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.176 -0.014 1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.904 -1.621 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.821 -0.340 2.004 1.00 0.00 H new ATOM 1215 N ARG A 73 7.679 0.005 -2.819 1.00 0.00 N ATOM 1216 CA ARG A 73 9.051 -0.363 -3.161 1.00 0.00 C ATOM 1217 C ARG A 73 9.923 -0.354 -1.910 1.00 0.00 C ATOM 1218 O ARG A 73 11.142 -0.502 -1.977 1.00 0.00 O ATOM 1219 CB ARG A 73 9.579 0.621 -4.198 1.00 0.00 C ATOM 1220 CG ARG A 73 10.856 0.188 -4.898 1.00 0.00 C ATOM 1221 CD ARG A 73 11.128 1.069 -6.103 1.00 0.00 C ATOM 1222 NE ARG A 73 12.462 0.861 -6.656 1.00 0.00 N ATOM 1223 CZ ARG A 73 13.478 1.696 -6.459 1.00 0.00 C ATOM 1224 NH1 ARG A 73 13.331 2.753 -5.671 1.00 0.00 N ATOM 1225 NH2 ARG A 73 14.644 1.466 -7.046 1.00 0.00 N ATOM 0 H ARG A 73 7.405 0.936 -3.132 1.00 0.00 H new ATOM 0 HA ARG A 73 9.074 -1.370 -3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.807 0.783 -4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.756 1.580 -3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.694 0.243 -4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.770 -0.852 -5.213 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.383 0.867 -6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.015 2.115 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 73 12.624 0.030 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.436 2.928 -5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.113 3.391 -5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.760 0.650 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.425 2.105 -6.897 1.00 0.00 H new ATOM 1239 N LYS A 74 9.249 -0.198 -0.773 1.00 0.00 N ATOM 1240 CA LYS A 74 9.880 -0.094 0.535 1.00 0.00 C ATOM 1241 C LYS A 74 10.691 1.192 0.621 1.00 0.00 C ATOM 1242 O LYS A 74 10.835 1.916 -0.369 1.00 0.00 O ATOM 1243 CB LYS A 74 10.776 -1.311 0.829 1.00 0.00 C ATOM 1244 CG LYS A 74 10.104 -2.657 0.592 1.00 0.00 C ATOM 1245 CD LYS A 74 11.016 -3.809 0.990 1.00 0.00 C ATOM 1246 CE LYS A 74 10.489 -5.151 0.506 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.060 -6.283 1.287 1.00 0.00 N ATOM 0 H LYS A 74 8.231 -0.140 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 74 9.092 -0.074 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.668 -1.249 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.107 -1.261 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.178 -2.709 1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.834 -2.751 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.011 -3.641 0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.119 -3.831 2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.402 -5.165 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.732 -5.278 -0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.492 -7.139 1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.040 -6.455 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.047 -6.047 2.300 1.00 0.00 H new ATOM 1261 N ASP A 75 11.194 1.497 1.801 1.00 0.00 N ATOM 1262 CA ASP A 75 12.121 2.604 1.944 1.00 0.00 C ATOM 1263 C ASP A 75 13.490 2.171 1.460 1.00 0.00 C ATOM 1264 O ASP A 75 14.302 1.617 2.203 1.00 0.00 O ATOM 1265 CB ASP A 75 12.156 3.116 3.385 1.00 0.00 C ATOM 1266 CG ASP A 75 13.401 3.904 3.746 1.00 0.00 C ATOM 1267 OD1 ASP A 75 14.008 3.591 4.787 1.00 0.00 O ATOM 1268 OD2 ASP A 75 13.765 4.843 3.013 1.00 0.00 O ATOM 0 H ASP A 75 10.980 1.001 2.666 1.00 0.00 H new ATOM 0 HA ASP A 75 11.784 3.440 1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.282 3.745 3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.072 2.265 4.061 1.00 0.00 H new ATOM 1273 N VAL A 76 13.693 2.344 0.174 1.00 0.00 N ATOM 1274 CA VAL A 76 14.963 2.069 -0.438 1.00 0.00 C ATOM 1275 C VAL A 76 15.547 3.359 -0.971 1.00 0.00 C ATOM 1276 O VAL A 76 15.121 3.876 -2.007 1.00 0.00 O ATOM 1277 CB VAL A 76 14.860 1.000 -1.550 1.00 0.00 C ATOM 1278 CG1 VAL A 76 13.738 1.317 -2.529 1.00 0.00 C ATOM 1279 CG2 VAL A 76 16.187 0.846 -2.281 1.00 0.00 C ATOM 0 H VAL A 76 12.979 2.679 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 76 15.627 1.655 0.321 1.00 0.00 H new ATOM 0 HB VAL A 76 14.621 0.051 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.696 0.544 -3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.788 1.351 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.926 2.283 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 76 16.088 0.088 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.465 1.797 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.959 0.542 -1.574 1.00 0.00 H new ATOM 1289 N ASP A 77 16.481 3.898 -0.199 1.00 0.00 N ATOM 1290 CA ASP A 77 17.165 5.152 -0.527 1.00 0.00 C ATOM 1291 C ASP A 77 16.258 6.331 -0.199 1.00 0.00 C ATOM 1292 O ASP A 77 16.595 7.177 0.628 1.00 0.00 O ATOM 1293 CB ASP A 77 17.587 5.179 -2.002 1.00 0.00 C ATOM 1294 CG ASP A 77 18.405 6.398 -2.366 1.00 0.00 C ATOM 1295 OD1 ASP A 77 19.407 6.673 -1.677 1.00 0.00 O ATOM 1296 OD2 ASP A 77 18.073 7.065 -3.372 1.00 0.00 O ATOM 0 H ASP A 77 16.791 3.479 0.678 1.00 0.00 H new ATOM 0 HA ASP A 77 18.071 5.226 0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.165 4.282 -2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.696 5.147 -2.629 1.00 0.00 H new ATOM 1301 N VAL A 78 15.098 6.369 -0.830 1.00 0.00 N ATOM 1302 CA VAL A 78 14.070 7.327 -0.473 1.00 0.00 C ATOM 1303 C VAL A 78 12.993 6.613 0.330 1.00 0.00 C ATOM 1304 O VAL A 78 12.730 5.430 0.111 1.00 0.00 O ATOM 1305 CB VAL A 78 13.431 8.005 -1.701 1.00 0.00 C ATOM 1306 CG1 VAL A 78 14.494 8.654 -2.571 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.604 7.012 -2.495 1.00 0.00 C ATOM 0 H VAL A 78 14.845 5.744 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 78 14.542 8.115 0.115 1.00 0.00 H new ATOM 0 HB VAL A 78 12.762 8.790 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 78 14.021 9.126 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 78 15.028 9.407 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 78 15.197 7.895 -2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.163 7.513 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.243 6.197 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.811 6.611 -1.863 1.00 0.00 H new ATOM 1317 N PRO A 79 12.376 7.314 1.278 1.00 0.00 N ATOM 1318 CA PRO A 79 11.413 6.713 2.190 1.00 0.00 C ATOM 1319 C PRO A 79 10.071 6.387 1.541 1.00 0.00 C ATOM 1320 O PRO A 79 9.594 5.254 1.616 1.00 0.00 O ATOM 1321 CB PRO A 79 11.244 7.795 3.254 1.00 0.00 C ATOM 1322 CG PRO A 79 11.513 9.065 2.546 1.00 0.00 C ATOM 1323 CD PRO A 79 12.584 8.744 1.552 1.00 0.00 C ATOM 0 HA PRO A 79 11.761 5.751 2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.239 7.782 3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.938 7.648 4.081 1.00 0.00 H new ATOM 0 HG2 PRO A 79 10.616 9.437 2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 79 11.839 9.840 3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.486 9.345 0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.578 8.935 1.956 1.00 0.00 H new ATOM 1331 N LYS A 80 9.475 7.385 0.901 1.00 0.00 N ATOM 1332 CA LYS A 80 8.094 7.290 0.449 1.00 0.00 C ATOM 1333 C LYS A 80 7.917 6.238 -0.638 1.00 0.00 C ATOM 1334 O LYS A 80 8.849 5.919 -1.382 1.00 0.00 O ATOM 1335 CB LYS A 80 7.597 8.652 -0.037 1.00 0.00 C ATOM 1336 CG LYS A 80 8.085 9.039 -1.419 1.00 0.00 C ATOM 1337 CD LYS A 80 7.885 10.523 -1.674 1.00 0.00 C ATOM 1338 CE LYS A 80 8.647 11.361 -0.660 1.00 0.00 C ATOM 1339 NZ LYS A 80 8.467 12.822 -0.880 1.00 0.00 N ATOM 0 H LYS A 80 9.929 8.272 0.683 1.00 0.00 H new ATOM 0 HA LYS A 80 7.494 6.976 1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.507 8.649 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.913 9.415 0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.141 8.789 -1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.549 8.462 -2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.221 10.771 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.823 10.764 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.312 11.104 0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.708 11.116 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.006 13.350 -0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.811 13.075 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.458 13.063 -0.802 1.00 0.00 H new ATOM 1353 N MET A 81 6.702 5.719 -0.722 1.00 0.00 N ATOM 1354 CA MET A 81 6.375 4.657 -1.658 1.00 0.00 C ATOM 1355 C MET A 81 6.505 5.146 -3.099 1.00 0.00 C ATOM 1356 O MET A 81 6.254 6.314 -3.397 1.00 0.00 O ATOM 1357 CB MET A 81 4.971 4.122 -1.346 1.00 0.00 C ATOM 1358 CG MET A 81 4.196 3.585 -2.537 1.00 0.00 C ATOM 1359 SD MET A 81 3.387 4.903 -3.466 1.00 0.00 S ATOM 1360 CE MET A 81 2.685 5.861 -2.130 1.00 0.00 C ATOM 0 H MET A 81 5.917 6.022 -0.145 1.00 0.00 H new ATOM 0 HA MET A 81 7.082 3.835 -1.546 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.060 3.328 -0.605 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.390 4.922 -0.887 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.873 3.041 -3.195 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.447 2.873 -2.191 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.753 6.319 -2.461 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.487 5.209 -1.280 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.387 6.640 -1.833 1.00 0.00 H new ATOM 1370 N VAL A 82 6.923 4.247 -3.977 1.00 0.00 N ATOM 1371 CA VAL A 82 7.200 4.603 -5.365 1.00 0.00 C ATOM 1372 C VAL A 82 5.930 4.669 -6.219 1.00 0.00 C ATOM 1373 O VAL A 82 5.781 5.577 -7.042 1.00 0.00 O ATOM 1374 CB VAL A 82 8.210 3.624 -6.015 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.596 2.247 -6.214 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.724 4.177 -7.334 1.00 0.00 C ATOM 0 H VAL A 82 7.079 3.264 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 82 7.639 5.600 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 82 9.054 3.518 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.330 1.584 -6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.292 1.841 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.725 2.328 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.432 3.473 -7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.888 4.324 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.222 5.131 -7.159 1.00 0.00 H new ATOM 1386 N GLY A 83 5.013 3.726 -6.022 1.00 0.00 N ATOM 1387 CA GLY A 83 3.864 3.637 -6.896 1.00 0.00 C ATOM 1388 C GLY A 83 2.624 3.107 -6.209 1.00 0.00 C ATOM 1389 O GLY A 83 2.693 2.470 -5.157 1.00 0.00 O ATOM 0 H GLY A 83 5.047 3.029 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.650 4.625 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.108 2.990 -7.739 1.00 0.00 H new ATOM 1393 N ARG A 84 1.496 3.353 -6.833 1.00 0.00 N ATOM 1394 CA ARG A 84 0.209 2.889 -6.348 1.00 0.00 C ATOM 1395 C ARG A 84 -0.685 2.643 -7.543 1.00 0.00 C ATOM 1396 O ARG A 84 -1.332 3.563 -8.051 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.434 3.920 -5.417 1.00 0.00 C ATOM 1398 CG ARG A 84 -1.834 3.539 -4.956 1.00 0.00 C ATOM 1399 CD ARG A 84 -2.541 4.724 -4.325 1.00 0.00 C ATOM 1400 NE ARG A 84 -3.911 4.406 -3.916 1.00 0.00 N ATOM 1401 CZ ARG A 84 -4.984 5.091 -4.321 1.00 0.00 C ATOM 1402 NH1 ARG A 84 -4.861 6.032 -5.249 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -6.185 4.801 -3.829 1.00 0.00 N ATOM 0 H ARG A 84 1.441 3.886 -7.701 1.00 0.00 H new ATOM 0 HA ARG A 84 0.347 1.971 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.203 4.054 -4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.479 4.881 -5.929 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.413 3.175 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.774 2.722 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.975 5.061 -3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.560 5.552 -5.034 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.054 3.617 -3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.946 6.233 -5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.681 6.554 -5.557 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.288 4.055 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.003 5.325 -4.139 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.692 1.419 -8.023 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.385 1.123 -9.252 1.00 0.00 C ATOM 1419 C LYS A 85 -2.678 0.382 -8.970 1.00 0.00 C ATOM 1420 O LYS A 85 -2.674 -0.759 -8.510 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.483 0.313 -10.183 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.823 0.473 -11.654 1.00 0.00 C ATOM 1423 CD LYS A 85 -0.652 1.916 -12.105 1.00 0.00 C ATOM 1424 CE LYS A 85 0.770 2.407 -11.873 1.00 0.00 C ATOM 1425 NZ LYS A 85 0.937 3.835 -12.245 1.00 0.00 N ATOM 0 H LYS A 85 -0.230 0.622 -7.585 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.637 2.061 -9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.552 0.614 -10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.553 -0.741 -9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.182 -0.176 -12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.850 0.154 -11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.899 1.999 -13.163 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.351 2.553 -11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.032 2.273 -10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.462 1.798 -12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.920 4.126 -12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.712 3.960 -13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.296 4.420 -11.672 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.781 1.054 -9.216 1.00 0.00 N ATOM 1440 CA CYS A 86 -5.087 0.450 -9.089 1.00 0.00 C ATOM 1441 C CYS A 86 -5.602 0.143 -10.479 1.00 0.00 C ATOM 1442 O CYS A 86 -5.705 1.035 -11.320 1.00 0.00 O ATOM 1443 CB CYS A 86 -6.038 1.393 -8.358 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.295 2.190 -6.893 1.00 0.00 S ATOM 0 H CYS A 86 -3.797 2.031 -9.509 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.021 -0.470 -8.507 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.374 2.165 -9.050 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.922 0.836 -8.049 1.00 0.00 H new ATOM 1449 N ARG A 87 -5.942 -1.106 -10.728 1.00 0.00 N ATOM 1450 CA ARG A 87 -6.185 -1.541 -12.099 1.00 0.00 C ATOM 1451 C ARG A 87 -7.636 -1.299 -12.480 1.00 0.00 C ATOM 1452 O ARG A 87 -8.087 -1.653 -13.566 1.00 0.00 O ATOM 1453 CB ARG A 87 -5.769 -2.998 -12.288 1.00 0.00 C ATOM 1454 CG ARG A 87 -4.438 -3.301 -11.631 1.00 0.00 C ATOM 1455 CD ARG A 87 -3.570 -4.183 -12.496 1.00 0.00 C ATOM 1456 NE ARG A 87 -4.056 -5.556 -12.580 1.00 0.00 N ATOM 1457 CZ ARG A 87 -3.363 -6.538 -13.145 1.00 0.00 C ATOM 1458 NH1 ARG A 87 -2.243 -6.260 -13.805 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -3.812 -7.786 -13.090 1.00 0.00 N ATOM 0 H ARG A 87 -6.056 -1.829 -10.018 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.569 -0.948 -12.774 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.536 -3.650 -11.870 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.706 -3.221 -13.353 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.915 -2.368 -11.424 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.610 -3.789 -10.672 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.518 -3.760 -13.499 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.555 -4.186 -12.098 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.972 -5.772 -12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.919 -5.295 -13.876 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.708 -7.011 -14.240 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.690 -7.992 -12.613 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.279 -8.539 -13.524 1.00 0.00 H new ATOM 1473 N LYS A 88 -8.346 -0.664 -11.563 1.00 0.00 N ATOM 1474 CA LYS A 88 -9.668 -0.128 -11.831 1.00 0.00 C ATOM 1475 C LYS A 88 -9.524 1.307 -12.326 1.00 0.00 C ATOM 1476 O LYS A 88 -10.506 1.993 -12.598 1.00 0.00 O ATOM 1477 CB LYS A 88 -10.508 -0.173 -10.556 1.00 0.00 C ATOM 1478 CG LYS A 88 -10.751 -1.584 -10.054 1.00 0.00 C ATOM 1479 CD LYS A 88 -11.906 -2.253 -10.784 1.00 0.00 C ATOM 1480 CE LYS A 88 -11.919 -3.754 -10.545 1.00 0.00 C ATOM 1481 NZ LYS A 88 -13.067 -4.426 -11.208 1.00 0.00 N ATOM 0 H LYS A 88 -8.020 -0.506 -10.609 1.00 0.00 H new ATOM 0 HA LYS A 88 -10.168 -0.724 -12.594 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -10.007 0.402 -9.777 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.467 0.310 -10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.846 -2.177 -10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.963 -1.558 -8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.849 -1.822 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -11.827 -2.054 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.988 -4.185 -10.913 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.958 -3.948 -9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.030 -5.447 -11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -13.958 -4.036 -10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -13.017 -4.266 -12.234 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.273 1.744 -12.427 1.00 0.00 N ATOM 1496 CA ASP A 89 -7.945 3.085 -12.888 1.00 0.00 C ATOM 1497 C ASP A 89 -6.963 3.023 -14.054 1.00 0.00 C ATOM 1498 O ASP A 89 -7.212 3.598 -15.114 1.00 0.00 O ATOM 1499 CB ASP A 89 -7.346 3.905 -11.740 1.00 0.00 C ATOM 1500 CG ASP A 89 -6.816 5.252 -12.192 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -7.627 6.120 -12.567 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -5.583 5.456 -12.151 1.00 0.00 O ATOM 0 H ASP A 89 -7.459 1.177 -12.191 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.861 3.568 -13.229 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.106 4.058 -10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.537 3.338 -11.278 1.00 0.00 H new ATOM 1507 N ASP A 90 -5.856 2.311 -13.855 1.00 0.00 N ATOM 1508 CA ASP A 90 -4.817 2.185 -14.876 1.00 0.00 C ATOM 1509 C ASP A 90 -3.841 1.071 -14.501 1.00 0.00 C ATOM 1510 O ASP A 90 -3.557 0.865 -13.321 1.00 0.00 O ATOM 1511 CB ASP A 90 -4.062 3.512 -15.023 1.00 0.00 C ATOM 1512 CG ASP A 90 -3.003 3.486 -16.109 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -1.846 3.129 -15.815 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -3.321 3.848 -17.262 1.00 0.00 O ATOM 0 H ASP A 90 -5.654 1.809 -12.990 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.288 1.936 -15.827 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.776 4.306 -15.242 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.591 3.760 -14.072 1.00 0.00 H new ATOM 1519 N ASP A 91 -3.355 0.338 -15.496 1.00 0.00 N ATOM 1520 CA ASP A 91 -2.343 -0.687 -15.270 1.00 0.00 C ATOM 1521 C ASP A 91 -1.026 -0.279 -15.919 1.00 0.00 C ATOM 1522 O ASP A 91 -0.997 0.134 -17.080 1.00 0.00 O ATOM 1523 CB ASP A 91 -2.805 -2.043 -15.817 1.00 0.00 C ATOM 1524 CG ASP A 91 -1.717 -3.103 -15.740 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -1.052 -3.356 -16.766 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -1.521 -3.687 -14.654 1.00 0.00 O ATOM 0 H ASP A 91 -3.646 0.435 -16.469 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.193 -0.786 -14.195 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.676 -2.380 -15.256 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.120 -1.925 -16.854 1.00 0.00 H new ATOM 1531 N ASP A 92 0.055 -0.399 -15.168 1.00 0.00 N ATOM 1532 CA ASP A 92 1.373 0.017 -15.635 1.00 0.00 C ATOM 1533 C ASP A 92 2.357 -1.140 -15.537 1.00 0.00 C ATOM 1534 O ASP A 92 2.239 -1.990 -14.653 1.00 0.00 O ATOM 1535 CB ASP A 92 1.858 1.217 -14.816 1.00 0.00 C ATOM 1536 CG ASP A 92 3.306 1.580 -15.071 1.00 0.00 C ATOM 1537 OD1 ASP A 92 3.716 1.652 -16.248 1.00 0.00 O ATOM 1538 OD2 ASP A 92 4.037 1.808 -14.087 1.00 0.00 O ATOM 0 H ASP A 92 0.048 -0.784 -14.224 1.00 0.00 H new ATOM 0 HA ASP A 92 1.305 0.315 -16.681 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.231 2.079 -15.043 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.728 0.999 -13.756 1.00 0.00 H new ATOM 1543 N ASP A 93 3.324 -1.168 -16.444 1.00 0.00 N ATOM 1544 CA ASP A 93 4.259 -2.285 -16.539 1.00 0.00 C ATOM 1545 C ASP A 93 5.551 -2.013 -15.777 1.00 0.00 C ATOM 1546 O ASP A 93 6.401 -2.896 -15.662 1.00 0.00 O ATOM 1547 CB ASP A 93 4.584 -2.594 -18.003 1.00 0.00 C ATOM 1548 CG ASP A 93 5.240 -1.431 -18.716 1.00 0.00 C ATOM 1549 OD1 ASP A 93 6.477 -1.300 -18.639 1.00 0.00 O ATOM 1550 OD2 ASP A 93 4.516 -0.648 -19.368 1.00 0.00 O ATOM 0 H ASP A 93 3.483 -0.428 -17.128 1.00 0.00 H new ATOM 0 HA ASP A 93 3.772 -3.147 -16.084 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.243 -3.461 -18.049 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.666 -2.863 -18.525 1.00 0.00 H new ATOM 1555 N ASP A 94 5.712 -0.799 -15.266 1.00 0.00 N ATOM 1556 CA ASP A 94 6.898 -0.472 -14.479 1.00 0.00 C ATOM 1557 C ASP A 94 6.830 -1.174 -13.134 1.00 0.00 C ATOM 1558 O ASP A 94 6.070 -0.766 -12.253 1.00 0.00 O ATOM 1559 CB ASP A 94 7.030 1.037 -14.266 1.00 0.00 C ATOM 1560 CG ASP A 94 8.327 1.412 -13.576 1.00 0.00 C ATOM 1561 OD1 ASP A 94 9.316 1.689 -14.285 1.00 0.00 O ATOM 1562 OD2 ASP A 94 8.368 1.432 -12.325 1.00 0.00 O ATOM 0 H ASP A 94 5.048 -0.033 -15.379 1.00 0.00 H new ATOM 0 HA ASP A 94 7.774 -0.813 -15.031 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.975 1.543 -15.230 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.189 1.392 -13.671 1.00 0.00 H new ATOM 1567 N GLY A 95 7.615 -2.231 -12.984 1.00 0.00 N ATOM 1568 CA GLY A 95 7.565 -3.031 -11.778 1.00 0.00 C ATOM 1569 C GLY A 95 6.171 -3.559 -11.516 1.00 0.00 C ATOM 1570 O GLY A 95 5.624 -4.302 -12.333 1.00 0.00 O ATOM 0 H GLY A 95 8.289 -2.550 -13.680 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.260 -3.866 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.893 -2.431 -10.929 1.00 0.00 H new ATOM 1574 N TYR A 96 5.607 -3.163 -10.378 1.00 0.00 N ATOM 1575 CA TYR A 96 4.231 -3.504 -10.014 1.00 0.00 C ATOM 1576 C TYR A 96 4.020 -5.029 -10.041 1.00 0.00 C ATOM 1577 O TYR A 96 2.894 -5.493 -10.315 1.00 0.00 O ATOM 1578 CB TYR A 96 3.243 -2.764 -10.939 1.00 0.00 C ATOM 1579 CG TYR A 96 1.795 -2.885 -10.524 1.00 0.00 C ATOM 1580 CD1 TYR A 96 1.394 -2.483 -9.262 1.00 0.00 C ATOM 1581 CD2 TYR A 96 0.831 -3.399 -11.390 1.00 0.00 C ATOM 1582 CE1 TYR A 96 0.080 -2.590 -8.867 1.00 0.00 C ATOM 1583 CE2 TYR A 96 -0.487 -3.506 -11.000 1.00 0.00 C ATOM 1584 CZ TYR A 96 -0.858 -3.103 -9.739 1.00 0.00 C ATOM 1585 OH TYR A 96 -2.171 -3.210 -9.344 1.00 0.00 O ATOM 1586 OXT TYR A 96 4.995 -5.762 -9.765 1.00 0.00 O ATOM 0 H TYR A 96 6.090 -2.596 -9.681 1.00 0.00 H new ATOM 0 HA TYR A 96 4.039 -3.176 -8.992 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.513 -1.708 -10.970 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.352 -3.151 -11.952 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.124 -2.079 -8.576 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.121 -3.718 -12.380 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.216 -2.273 -7.878 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.224 -3.904 -11.681 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.390 -2.476 -8.733 1.00 0.00 H new TER 1596 TYR A 96