USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 749 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 95 SER OG : rot -79:sc= 1.09 USER MOD Set 1.2: A 98 GLN :FLIP amide:sc= 0.981 F(o=1.4,f=2.1) USER MOD Set 2.1: A 6 HIS : no HE2:sc= -0.341 X(o=-0.57,f=-1) USER MOD Set 2.2: A 57 LYS NZ :NH3+ -164:sc= -0.23 (180deg=-0.605) USER MOD Set 3.1: A 8 THR OG1 : rot -41:sc= 1.43 USER MOD Set 3.2: A 11 SER OG : rot 180:sc= 1.97 USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= -0.883 (180deg=-0.976) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0583 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -114:sc= 0.774 (180deg=-0.194) USER MOD Single : A 37 MET CE :methyl -172:sc=-0.00192 (180deg=-0.0982) USER MOD Single : A 49 TYR OH : rot 35:sc= 0.452 USER MOD Single : A 50 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0013) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc=-0.00221 (180deg=-0.0374) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.12 K(o=1.1,f=-8.7!) USER MOD Single : A 62 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 63 ASN : amide:sc= 1.38 K(o=1.4,f=-5!) USER MOD Single : A 66 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= -0.243 (180deg=-0.737) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= 1.53 (180deg=1.38) USER MOD Single : A 96 LYS NZ :NH3+ -174:sc= 0.766 (180deg=0.681) USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 0.679 (180deg=0.621) USER MOD Single : A 106 ASN : amide:sc= 1.19 K(o=1.2,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 3.894 -9.163 0.975 1.00 0.00 N ATOM 25 CA LYS A 3 2.671 -9.030 1.754 1.00 0.00 C ATOM 26 C LYS A 3 1.770 -8.072 0.975 1.00 0.00 C ATOM 27 O LYS A 3 1.131 -7.193 1.550 1.00 0.00 O ATOM 28 CB LYS A 3 3.020 -8.469 3.139 1.00 0.00 C ATOM 29 CG LYS A 3 3.967 -9.401 3.909 1.00 0.00 C ATOM 30 CD LYS A 3 4.353 -8.823 5.278 1.00 0.00 C ATOM 31 CE LYS A 3 5.029 -7.445 5.198 1.00 0.00 C ATOM 32 NZ LYS A 3 6.127 -7.425 4.215 1.00 0.00 N ATOM 0 HA LYS A 3 2.165 -9.984 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.485 -7.489 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.105 -8.324 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.489 -10.371 4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.868 -9.570 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.458 -8.743 5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.025 -9.519 5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.288 -6.693 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.417 -7.174 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.610 -6.505 4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.805 -8.182 4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.741 -7.575 3.261 1.00 0.00 H new ATOM 46 N ILE A 4 1.775 -8.219 -0.351 1.00 0.00 N ATOM 47 CA ILE A 4 1.071 -7.337 -1.259 1.00 0.00 C ATOM 48 C ILE A 4 -0.283 -7.926 -1.625 1.00 0.00 C ATOM 49 O ILE A 4 -0.410 -9.130 -1.852 1.00 0.00 O ATOM 50 CB ILE A 4 1.945 -7.059 -2.489 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.298 -6.488 -2.027 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.187 -6.074 -3.381 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.163 -5.992 -3.182 1.00 0.00 C ATOM 0 H ILE A 4 2.279 -8.969 -0.823 1.00 0.00 H new ATOM 0 HA ILE A 4 0.877 -6.381 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 4 2.148 -7.968 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.121 -5.666 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.842 -7.257 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.782 -5.854 -4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.236 -6.513 -3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.002 -5.152 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.103 -5.602 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.368 -6.818 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.637 -5.202 -3.718 1.00 0.00 H new ATOM 65 N ILE A 5 -1.296 -7.062 -1.684 1.00 0.00 N ATOM 66 CA ILE A 5 -2.658 -7.468 -1.985 1.00 0.00 C ATOM 67 C ILE A 5 -2.900 -7.510 -3.487 1.00 0.00 C ATOM 68 O ILE A 5 -2.947 -6.481 -4.155 1.00 0.00 O ATOM 69 CB ILE A 5 -3.671 -6.573 -1.248 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.367 -6.426 0.257 1.00 0.00 C ATOM 71 CG2 ILE A 5 -5.105 -7.084 -1.459 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.288 -7.752 1.021 1.00 0.00 C ATOM 0 H ILE A 5 -1.189 -6.060 -1.523 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.805 -8.484 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.576 -5.579 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.421 -5.897 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.138 -5.804 0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.804 -6.436 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.340 -7.078 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.189 -8.100 -1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.071 -7.555 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.240 -8.276 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.497 -8.370 0.597 1.00 0.00 H new ATOM 84 N HIS A 6 -3.069 -8.723 -4.012 1.00 0.00 N ATOM 85 CA HIS A 6 -3.334 -8.971 -5.412 1.00 0.00 C ATOM 86 C HIS A 6 -4.820 -8.749 -5.678 1.00 0.00 C ATOM 87 O HIS A 6 -5.637 -9.642 -5.468 1.00 0.00 O ATOM 88 CB HIS A 6 -2.795 -10.361 -5.760 1.00 0.00 C ATOM 89 CG HIS A 6 -1.288 -10.358 -5.643 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.522 -10.903 -4.625 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.503 -9.459 -6.304 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.712 -10.365 -4.714 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.749 -9.503 -5.738 1.00 0.00 N ATOM 0 H HIS A 6 -3.023 -9.576 -3.454 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.819 -8.277 -6.077 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.221 -11.107 -5.089 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.092 -10.635 -6.772 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.834 -11.586 -3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.810 -8.827 -7.124 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.541 -10.594 -4.061 1.00 0.00 H new ATOM 102 N LEU A 7 -5.154 -7.529 -6.106 1.00 0.00 N ATOM 103 CA LEU A 7 -6.520 -7.095 -6.334 1.00 0.00 C ATOM 104 C LEU A 7 -7.058 -7.541 -7.687 1.00 0.00 C ATOM 105 O LEU A 7 -6.309 -7.868 -8.609 1.00 0.00 O ATOM 106 CB LEU A 7 -6.576 -5.563 -6.284 1.00 0.00 C ATOM 107 CG LEU A 7 -6.267 -4.964 -4.908 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.129 -3.451 -5.075 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.392 -5.249 -3.911 1.00 0.00 C ATOM 0 H LEU A 7 -4.463 -6.806 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.134 -7.548 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.868 -5.162 -7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.569 -5.237 -6.594 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.350 -5.411 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.908 -2.997 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.319 -3.234 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.061 -3.041 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.142 -4.811 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.322 -4.813 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.515 -6.326 -3.800 1.00 0.00 H new ATOM 121 N THR A 8 -8.382 -7.466 -7.796 1.00 0.00 N ATOM 122 CA THR A 8 -9.161 -7.703 -8.992 1.00 0.00 C ATOM 123 C THR A 8 -10.159 -6.552 -9.086 1.00 0.00 C ATOM 124 O THR A 8 -10.401 -5.869 -8.090 1.00 0.00 O ATOM 125 CB THR A 8 -9.895 -9.054 -8.912 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.856 -9.049 -7.869 1.00 0.00 O ATOM 127 CG2 THR A 8 -8.914 -10.209 -8.692 1.00 0.00 C ATOM 0 H THR A 8 -8.969 -7.223 -6.998 1.00 0.00 H new ATOM 0 HA THR A 8 -8.522 -7.747 -9.874 1.00 0.00 H new ATOM 0 HB THR A 8 -10.402 -9.200 -9.866 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.484 -8.597 -7.083 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.464 -11.149 -8.640 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.206 -10.248 -9.520 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.372 -10.054 -7.759 1.00 0.00 H new ATOM 135 N ASP A 9 -10.769 -6.341 -10.254 1.00 0.00 N ATOM 136 CA ASP A 9 -11.781 -5.304 -10.421 1.00 0.00 C ATOM 137 C ASP A 9 -12.891 -5.506 -9.382 1.00 0.00 C ATOM 138 O ASP A 9 -13.339 -4.558 -8.744 1.00 0.00 O ATOM 139 CB ASP A 9 -12.335 -5.353 -11.850 1.00 0.00 C ATOM 140 CG ASP A 9 -13.360 -4.250 -12.084 1.00 0.00 C ATOM 141 OD1 ASP A 9 -14.551 -4.514 -11.814 1.00 0.00 O ATOM 142 OD2 ASP A 9 -12.933 -3.165 -12.537 1.00 0.00 O ATOM 0 H ASP A 9 -10.577 -6.878 -11.099 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.341 -4.319 -10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.517 -5.250 -12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.795 -6.324 -12.031 1.00 0.00 H new ATOM 147 N ASP A 10 -13.298 -6.765 -9.206 1.00 0.00 N ATOM 148 CA ASP A 10 -14.333 -7.184 -8.273 1.00 0.00 C ATOM 149 C ASP A 10 -13.976 -6.830 -6.830 1.00 0.00 C ATOM 150 O ASP A 10 -14.815 -6.313 -6.097 1.00 0.00 O ATOM 151 CB ASP A 10 -14.565 -8.698 -8.395 1.00 0.00 C ATOM 152 CG ASP A 10 -14.832 -9.136 -9.830 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.837 -9.190 -10.589 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.012 -9.403 -10.142 1.00 0.00 O ATOM 0 H ASP A 10 -12.899 -7.544 -9.730 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.247 -6.648 -8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.692 -9.228 -8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.410 -8.984 -7.769 1.00 0.00 H new ATOM 159 N SER A 11 -12.740 -7.113 -6.406 1.00 0.00 N ATOM 160 CA SER A 11 -12.332 -6.863 -5.026 1.00 0.00 C ATOM 161 C SER A 11 -12.024 -5.383 -4.795 1.00 0.00 C ATOM 162 O SER A 11 -12.157 -4.901 -3.671 1.00 0.00 O ATOM 163 CB SER A 11 -11.131 -7.743 -4.665 1.00 0.00 C ATOM 164 OG SER A 11 -10.108 -7.635 -5.633 1.00 0.00 O ATOM 0 H SER A 11 -12.011 -7.513 -6.997 1.00 0.00 H new ATOM 0 HA SER A 11 -13.162 -7.124 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.744 -7.451 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.450 -8.782 -4.584 1.00 0.00 H new ATOM 0 HG SER A 11 -9.354 -8.206 -5.377 1.00 0.00 H new ATOM 170 N PHE A 12 -11.610 -4.673 -5.847 1.00 0.00 N ATOM 171 CA PHE A 12 -11.257 -3.262 -5.829 1.00 0.00 C ATOM 172 C PHE A 12 -12.137 -2.427 -4.898 1.00 0.00 C ATOM 173 O PHE A 12 -11.627 -1.729 -4.028 1.00 0.00 O ATOM 174 CB PHE A 12 -11.306 -2.696 -7.252 1.00 0.00 C ATOM 175 CG PHE A 12 -10.457 -1.457 -7.408 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.952 -0.195 -7.035 1.00 0.00 C ATOM 177 CD2 PHE A 12 -9.108 -1.602 -7.771 1.00 0.00 C ATOM 178 CE1 PHE A 12 -10.098 0.919 -7.042 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.285 -0.475 -7.879 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.779 0.787 -7.511 1.00 0.00 C ATOM 0 H PHE A 12 -11.509 -5.089 -6.773 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.244 -3.197 -5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.966 -3.457 -7.955 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.338 -2.461 -7.511 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.986 -0.083 -6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.705 -2.585 -7.967 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.453 1.875 -6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.274 -0.576 -8.244 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.145 1.658 -7.588 1.00 0.00 H new ATOM 190 N ASP A 13 -13.459 -2.486 -5.073 1.00 0.00 N ATOM 191 CA ASP A 13 -14.381 -1.723 -4.242 1.00 0.00 C ATOM 192 C ASP A 13 -14.151 -2.019 -2.757 1.00 0.00 C ATOM 193 O ASP A 13 -13.793 -1.138 -1.976 1.00 0.00 O ATOM 194 CB ASP A 13 -15.829 -2.039 -4.645 1.00 0.00 C ATOM 195 CG ASP A 13 -16.822 -1.441 -3.651 1.00 0.00 C ATOM 196 OD1 ASP A 13 -17.079 -0.223 -3.767 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.289 -2.209 -2.780 1.00 0.00 O ATOM 0 H ASP A 13 -13.912 -3.057 -5.786 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.197 -0.660 -4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.026 -1.645 -5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.968 -3.119 -4.696 1.00 0.00 H new ATOM 202 N THR A 14 -14.385 -3.270 -2.374 1.00 0.00 N ATOM 203 CA THR A 14 -14.293 -3.724 -1.002 1.00 0.00 C ATOM 204 C THR A 14 -12.928 -3.445 -0.377 1.00 0.00 C ATOM 205 O THR A 14 -12.851 -3.064 0.787 1.00 0.00 O ATOM 206 CB THR A 14 -14.642 -5.216 -0.980 1.00 0.00 C ATOM 207 OG1 THR A 14 -15.696 -5.452 -1.896 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.066 -5.682 0.414 1.00 0.00 C ATOM 0 H THR A 14 -14.649 -4.008 -3.027 1.00 0.00 H new ATOM 0 HA THR A 14 -14.999 -3.165 -0.388 1.00 0.00 H new ATOM 0 HB THR A 14 -13.752 -5.779 -1.260 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.926 -6.405 -1.891 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.305 -6.745 0.385 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.251 -5.512 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.945 -5.121 0.733 1.00 0.00 H new ATOM 216 N ASP A 15 -11.857 -3.668 -1.135 1.00 0.00 N ATOM 217 CA ASP A 15 -10.504 -3.509 -0.631 1.00 0.00 C ATOM 218 C ASP A 15 -10.049 -2.052 -0.663 1.00 0.00 C ATOM 219 O ASP A 15 -9.653 -1.507 0.360 1.00 0.00 O ATOM 220 CB ASP A 15 -9.541 -4.377 -1.450 1.00 0.00 C ATOM 221 CG ASP A 15 -9.688 -5.870 -1.168 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.817 -6.384 -1.327 1.00 0.00 O ATOM 223 OD2 ASP A 15 -8.658 -6.481 -0.808 1.00 0.00 O ATOM 0 H ASP A 15 -11.907 -3.962 -2.110 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.498 -3.831 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.712 -4.196 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.516 -4.073 -1.236 1.00 0.00 H new ATOM 228 N VAL A 16 -10.052 -1.435 -1.846 1.00 0.00 N ATOM 229 CA VAL A 16 -9.520 -0.101 -2.065 1.00 0.00 C ATOM 230 C VAL A 16 -10.496 0.996 -1.657 1.00 0.00 C ATOM 231 O VAL A 16 -10.127 1.907 -0.917 1.00 0.00 O ATOM 232 CB VAL A 16 -9.101 0.063 -3.537 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.358 1.385 -3.740 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.195 -1.080 -4.003 1.00 0.00 C ATOM 0 H VAL A 16 -10.433 -1.862 -2.691 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.645 0.008 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.017 0.050 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.070 1.483 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.009 2.214 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.465 1.400 -3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.922 -0.926 -5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.293 -1.101 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.724 -2.028 -3.902 1.00 0.00 H new ATOM 244 N LEU A 17 -11.737 0.952 -2.147 1.00 0.00 N ATOM 245 CA LEU A 17 -12.669 2.035 -1.850 1.00 0.00 C ATOM 246 C LEU A 17 -12.982 2.112 -0.359 1.00 0.00 C ATOM 247 O LEU A 17 -13.185 3.204 0.165 1.00 0.00 O ATOM 248 CB LEU A 17 -13.882 2.030 -2.783 1.00 0.00 C ATOM 249 CG LEU A 17 -13.462 2.161 -4.261 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.713 2.301 -5.132 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.546 3.368 -4.518 1.00 0.00 C ATOM 0 H LEU A 17 -12.109 0.204 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.179 2.983 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.444 1.107 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.548 2.852 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.901 1.261 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.420 2.394 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.343 1.420 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.269 3.189 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.284 3.407 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.065 4.285 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.638 3.269 -3.923 1.00 0.00 H new ATOM 263 N LYS A 18 -12.943 0.978 0.339 1.00 0.00 N ATOM 264 CA LYS A 18 -13.067 0.947 1.791 1.00 0.00 C ATOM 265 C LYS A 18 -11.691 0.672 2.420 1.00 0.00 C ATOM 266 O LYS A 18 -11.594 -0.088 3.381 1.00 0.00 O ATOM 267 CB LYS A 18 -14.148 -0.062 2.205 1.00 0.00 C ATOM 268 CG LYS A 18 -15.507 0.329 1.601 1.00 0.00 C ATOM 269 CD LYS A 18 -16.662 -0.499 2.184 1.00 0.00 C ATOM 270 CE LYS A 18 -16.629 -1.947 1.687 1.00 0.00 C ATOM 271 NZ LYS A 18 -17.744 -2.731 2.245 1.00 0.00 N ATOM 0 H LYS A 18 -12.825 0.059 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.395 1.916 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.869 -1.061 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.223 -0.099 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.693 1.387 1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.475 0.193 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.605 -0.487 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.612 -0.042 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.681 -1.961 0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.682 -2.408 1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.694 -3.707 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.679 -2.737 3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.647 -2.304 1.957 1.00 0.00 H new ATOM 314 N ALA A 22 -4.303 3.509 4.390 1.00 0.00 N ATOM 315 CA ALA A 22 -3.666 3.905 3.143 1.00 0.00 C ATOM 316 C ALA A 22 -3.346 2.656 2.329 1.00 0.00 C ATOM 317 O ALA A 22 -2.618 1.787 2.809 1.00 0.00 O ATOM 318 CB ALA A 22 -2.394 4.692 3.464 1.00 0.00 C ATOM 0 HA ALA A 22 -4.330 4.540 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.909 4.994 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.651 5.579 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.714 4.065 4.042 1.00 0.00 H new ATOM 324 N ILE A 23 -3.871 2.572 1.104 1.00 0.00 N ATOM 325 CA ILE A 23 -3.649 1.465 0.182 1.00 0.00 C ATOM 326 C ILE A 23 -2.916 2.001 -1.045 1.00 0.00 C ATOM 327 O ILE A 23 -3.395 2.936 -1.685 1.00 0.00 O ATOM 328 CB ILE A 23 -4.976 0.761 -0.170 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.350 -0.228 0.945 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.887 0.002 -1.503 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.683 -0.943 0.736 1.00 0.00 C ATOM 0 H ILE A 23 -4.479 3.295 0.719 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.027 0.701 0.649 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.740 1.532 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.561 -0.975 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.385 0.309 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.843 -0.479 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.649 0.701 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.106 -0.756 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.867 -1.621 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.486 -0.208 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.649 -1.512 -0.193 1.00 0.00 H new ATOM 343 N LEU A 24 -1.773 1.401 -1.392 1.00 0.00 N ATOM 344 CA LEU A 24 -0.995 1.780 -2.567 1.00 0.00 C ATOM 345 C LEU A 24 -1.241 0.741 -3.654 1.00 0.00 C ATOM 346 O LEU A 24 -0.680 -0.350 -3.585 1.00 0.00 O ATOM 347 CB LEU A 24 0.492 1.867 -2.203 1.00 0.00 C ATOM 348 CG LEU A 24 1.356 2.389 -3.366 1.00 0.00 C ATOM 349 CD1 LEU A 24 1.338 3.914 -3.450 1.00 0.00 C ATOM 350 CD2 LEU A 24 2.797 1.886 -3.220 1.00 0.00 C ATOM 0 H LEU A 24 -1.362 0.634 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.300 2.761 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.614 2.524 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.848 0.881 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 24 0.929 2.003 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.960 4.240 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.315 4.258 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.726 4.334 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.399 2.261 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.213 2.243 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.805 0.796 -3.231 1.00 0.00 H new ATOM 362 N VAL A 25 -2.062 1.070 -4.653 1.00 0.00 N ATOM 363 CA VAL A 25 -2.368 0.165 -5.751 1.00 0.00 C ATOM 364 C VAL A 25 -1.366 0.358 -6.884 1.00 0.00 C ATOM 365 O VAL A 25 -1.367 1.404 -7.532 1.00 0.00 O ATOM 366 CB VAL A 25 -3.797 0.371 -6.283 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.102 -0.704 -7.338 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.846 0.289 -5.173 1.00 0.00 C ATOM 0 H VAL A 25 -2.531 1.973 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.297 -0.852 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.847 1.370 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.114 -0.563 -7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.390 -0.620 -8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.019 -1.692 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.838 0.441 -5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.800 -0.692 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.649 1.060 -4.428 1.00 0.00 H new ATOM 378 N ASP A 26 -0.554 -0.667 -7.147 1.00 0.00 N ATOM 379 CA ASP A 26 0.374 -0.707 -8.263 1.00 0.00 C ATOM 380 C ASP A 26 -0.307 -1.442 -9.418 1.00 0.00 C ATOM 381 O ASP A 26 -0.563 -2.641 -9.323 1.00 0.00 O ATOM 382 CB ASP A 26 1.666 -1.426 -7.860 1.00 0.00 C ATOM 383 CG ASP A 26 2.484 -1.790 -9.095 1.00 0.00 C ATOM 384 OD1 ASP A 26 2.950 -2.916 -9.231 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.636 -0.844 -10.058 1.00 0.00 O ATOM 0 H ASP A 26 -0.528 -1.509 -6.572 1.00 0.00 H new ATOM 0 HA ASP A 26 0.639 0.306 -8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.255 -0.786 -7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.426 -2.328 -7.297 1.00 0.00 H new ATOM 391 N PHE A 27 -0.579 -0.745 -10.517 1.00 0.00 N ATOM 392 CA PHE A 27 -1.175 -1.353 -11.696 1.00 0.00 C ATOM 393 C PHE A 27 -0.043 -2.002 -12.498 1.00 0.00 C ATOM 394 O PHE A 27 0.963 -1.339 -12.760 1.00 0.00 O ATOM 395 CB PHE A 27 -1.937 -0.288 -12.493 1.00 0.00 C ATOM 396 CG PHE A 27 -3.214 0.178 -11.809 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.157 1.000 -10.667 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.468 -0.236 -12.298 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.338 1.371 -10.002 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.650 0.192 -11.669 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.588 0.974 -10.505 1.00 0.00 C ATOM 0 H PHE A 27 -0.392 0.253 -10.613 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.902 -2.122 -11.436 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.285 0.571 -12.654 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.185 -0.688 -13.476 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.202 1.347 -10.301 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.522 -0.885 -13.160 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.284 1.964 -9.101 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.609 -0.082 -12.083 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.496 1.269 -9.999 1.00 0.00 H new ATOM 411 N TRP A 28 -0.180 -3.285 -12.858 1.00 0.00 N ATOM 412 CA TRP A 28 0.847 -4.033 -13.577 1.00 0.00 C ATOM 413 C TRP A 28 0.239 -4.986 -14.606 1.00 0.00 C ATOM 414 O TRP A 28 -0.977 -5.152 -14.664 1.00 0.00 O ATOM 415 CB TRP A 28 1.717 -4.812 -12.577 1.00 0.00 C ATOM 416 CG TRP A 28 1.022 -5.922 -11.847 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.189 -5.769 -10.799 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.067 -7.356 -12.106 1.00 0.00 C ATOM 419 NE1 TRP A 28 -0.324 -6.993 -10.426 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.198 -8.013 -11.187 1.00 0.00 C ATOM 421 CE3 TRP A 28 1.772 -8.174 -13.011 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.028 -9.405 -11.173 1.00 0.00 C ATOM 423 CZ3 TRP A 28 1.586 -9.568 -13.029 1.00 0.00 C ATOM 424 CH2 TRP A 28 0.716 -10.184 -12.116 1.00 0.00 C ATOM 0 H TRP A 28 -1.016 -3.833 -12.654 1.00 0.00 H new ATOM 0 HA TRP A 28 1.466 -3.319 -14.120 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.570 -5.230 -13.112 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.114 -4.110 -11.843 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.042 -4.828 -10.322 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.006 -7.126 -9.679 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.467 -7.723 -13.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.623 -9.870 -10.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.117 -10.170 -13.752 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.576 -11.255 -12.139 1.00 0.00 H new ATOM 435 N ALA A 29 1.102 -5.634 -15.393 1.00 0.00 N ATOM 436 CA ALA A 29 0.747 -6.626 -16.396 1.00 0.00 C ATOM 437 C ALA A 29 1.857 -7.671 -16.431 1.00 0.00 C ATOM 438 O ALA A 29 2.997 -7.355 -16.101 1.00 0.00 O ATOM 439 CB ALA A 29 0.609 -5.972 -17.769 1.00 0.00 C ATOM 0 H ALA A 29 2.108 -5.471 -15.342 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.208 -7.086 -16.144 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.343 -6.729 -18.507 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.170 -5.211 -17.733 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.556 -5.509 -18.048 1.00 0.00 H new ATOM 445 N GLU A 30 1.546 -8.901 -16.842 1.00 0.00 N ATOM 446 CA GLU A 30 2.517 -9.992 -16.905 1.00 0.00 C ATOM 447 C GLU A 30 3.770 -9.590 -17.693 1.00 0.00 C ATOM 448 O GLU A 30 4.894 -9.869 -17.284 1.00 0.00 O ATOM 449 CB GLU A 30 1.834 -11.230 -17.502 1.00 0.00 C ATOM 450 CG GLU A 30 2.715 -12.479 -17.381 1.00 0.00 C ATOM 451 CD GLU A 30 2.003 -13.705 -17.943 1.00 0.00 C ATOM 452 OE1 GLU A 30 1.945 -13.803 -19.188 1.00 0.00 O ATOM 453 OE2 GLU A 30 1.519 -14.510 -17.118 1.00 0.00 O ATOM 0 H GLU A 30 0.609 -9.169 -17.142 1.00 0.00 H new ATOM 0 HA GLU A 30 2.860 -10.228 -15.898 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.886 -11.403 -16.993 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.604 -11.048 -18.552 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.652 -12.321 -17.915 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.970 -12.649 -16.335 1.00 0.00 H new ATOM 460 N TRP A 31 3.557 -8.924 -18.826 1.00 0.00 N ATOM 461 CA TRP A 31 4.602 -8.459 -19.731 1.00 0.00 C ATOM 462 C TRP A 31 5.268 -7.156 -19.259 1.00 0.00 C ATOM 463 O TRP A 31 6.202 -6.674 -19.901 1.00 0.00 O ATOM 464 CB TRP A 31 3.981 -8.298 -21.127 1.00 0.00 C ATOM 465 CG TRP A 31 2.683 -7.542 -21.172 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.453 -8.100 -21.111 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.463 -6.099 -21.249 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.494 -7.111 -21.110 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.057 -5.856 -21.218 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.306 -4.970 -21.330 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.515 -4.564 -21.273 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.773 -3.668 -21.395 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.382 -3.464 -21.378 1.00 0.00 C ATOM 0 H TRP A 31 2.619 -8.686 -19.149 1.00 0.00 H new ATOM 0 HA TRP A 31 5.403 -9.197 -19.753 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.700 -7.790 -21.770 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.819 -9.289 -21.551 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.253 -9.160 -21.069 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.508 -7.285 -21.038 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.377 -5.107 -21.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.554 -4.417 -21.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.438 -2.819 -21.458 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.981 -2.463 -21.446 1.00 0.00 H new ATOM 484 N CYS A 32 4.822 -6.564 -18.147 1.00 0.00 N ATOM 485 CA CYS A 32 5.385 -5.310 -17.670 1.00 0.00 C ATOM 486 C CYS A 32 6.706 -5.546 -16.937 1.00 0.00 C ATOM 487 O CYS A 32 6.761 -5.537 -15.707 1.00 0.00 O ATOM 488 CB CYS A 32 4.391 -4.591 -16.766 1.00 0.00 C ATOM 489 SG CYS A 32 5.003 -3.010 -16.152 1.00 0.00 S ATOM 0 H CYS A 32 4.073 -6.938 -17.565 1.00 0.00 H new ATOM 0 HA CYS A 32 5.588 -4.678 -18.535 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.464 -4.426 -17.315 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.150 -5.233 -15.919 1.00 0.00 H new ATOM 494 N GLY A 33 7.783 -5.744 -17.700 1.00 0.00 N ATOM 495 CA GLY A 33 9.132 -5.930 -17.168 1.00 0.00 C ATOM 496 C GLY A 33 9.436 -4.969 -16.009 1.00 0.00 C ATOM 497 O GLY A 33 9.750 -5.422 -14.909 1.00 0.00 O ATOM 0 H GLY A 33 7.741 -5.780 -18.718 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.247 -6.958 -16.825 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.859 -5.777 -17.965 1.00 0.00 H new ATOM 501 N PRO A 34 9.331 -3.645 -16.213 1.00 0.00 N ATOM 502 CA PRO A 34 9.567 -2.658 -15.167 1.00 0.00 C ATOM 503 C PRO A 34 8.713 -2.885 -13.909 1.00 0.00 C ATOM 504 O PRO A 34 9.165 -2.615 -12.800 1.00 0.00 O ATOM 505 CB PRO A 34 9.285 -1.298 -15.810 1.00 0.00 C ATOM 506 CG PRO A 34 9.506 -1.554 -17.300 1.00 0.00 C ATOM 507 CD PRO A 34 9.001 -2.986 -17.466 1.00 0.00 C ATOM 0 HA PRO A 34 10.592 -2.730 -14.804 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.268 -0.961 -15.607 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.957 -0.528 -15.431 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.948 -0.852 -17.920 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.556 -1.459 -17.577 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.927 -3.007 -17.653 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.482 -3.479 -18.311 1.00 0.00 H new ATOM 515 N CYS A 35 7.490 -3.410 -14.054 1.00 0.00 N ATOM 516 CA CYS A 35 6.638 -3.699 -12.903 1.00 0.00 C ATOM 517 C CYS A 35 7.313 -4.797 -12.088 1.00 0.00 C ATOM 518 O CYS A 35 7.474 -4.685 -10.873 1.00 0.00 O ATOM 519 CB CYS A 35 5.217 -4.129 -13.284 1.00 0.00 C ATOM 520 SG CYS A 35 4.201 -2.971 -14.239 1.00 0.00 S ATOM 0 H CYS A 35 7.073 -3.641 -14.956 1.00 0.00 H new ATOM 0 HA CYS A 35 6.525 -2.780 -12.328 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.291 -5.056 -13.853 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.681 -4.362 -12.364 1.00 0.00 H new ATOM 525 N LYS A 36 7.753 -5.854 -12.780 1.00 0.00 N ATOM 526 CA LYS A 36 8.479 -6.944 -12.145 1.00 0.00 C ATOM 527 C LYS A 36 9.752 -6.391 -11.497 1.00 0.00 C ATOM 528 O LYS A 36 10.099 -6.789 -10.388 1.00 0.00 O ATOM 529 CB LYS A 36 8.793 -8.064 -13.147 1.00 0.00 C ATOM 530 CG LYS A 36 7.574 -8.575 -13.933 1.00 0.00 C ATOM 531 CD LYS A 36 6.457 -9.088 -13.014 1.00 0.00 C ATOM 532 CE LYS A 36 5.269 -9.639 -13.812 1.00 0.00 C ATOM 533 NZ LYS A 36 5.642 -10.804 -14.634 1.00 0.00 N ATOM 0 H LYS A 36 7.615 -5.972 -13.784 1.00 0.00 H new ATOM 0 HA LYS A 36 7.854 -7.387 -11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.540 -7.703 -13.854 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.240 -8.900 -12.610 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.186 -7.771 -14.558 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.887 -9.377 -14.602 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.851 -9.869 -12.364 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.117 -8.278 -12.369 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.472 -9.922 -13.125 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.871 -8.855 -14.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.559 -10.559 -15.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.623 -11.077 -14.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.007 -11.599 -14.418 1.00 0.00 H new ATOM 547 N MET A 37 10.436 -5.462 -12.172 1.00 0.00 N ATOM 548 CA MET A 37 11.639 -4.830 -11.651 1.00 0.00 C ATOM 549 C MET A 37 11.353 -4.125 -10.318 1.00 0.00 C ATOM 550 O MET A 37 12.130 -4.277 -9.378 1.00 0.00 O ATOM 551 CB MET A 37 12.229 -3.876 -12.698 1.00 0.00 C ATOM 552 CG MET A 37 13.659 -3.459 -12.343 1.00 0.00 C ATOM 553 SD MET A 37 14.399 -2.206 -13.426 1.00 0.00 S ATOM 554 CE MET A 37 14.403 -3.071 -15.011 1.00 0.00 C ATOM 0 H MET A 37 10.165 -5.130 -13.098 1.00 0.00 H new ATOM 0 HA MET A 37 12.385 -5.598 -11.447 1.00 0.00 H new ATOM 0 HB2 MET A 37 12.223 -4.359 -13.675 1.00 0.00 H new ATOM 0 HB3 MET A 37 11.600 -2.989 -12.777 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.665 -3.080 -11.321 1.00 0.00 H new ATOM 0 HG3 MET A 37 14.292 -4.346 -12.358 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.957 -2.484 -15.744 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.877 -4.045 -14.893 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.377 -3.206 -15.354 1.00 0.00 H new ATOM 564 N ILE A 38 10.262 -3.354 -10.218 1.00 0.00 N ATOM 565 CA ILE A 38 9.941 -2.671 -8.963 1.00 0.00 C ATOM 566 C ILE A 38 9.352 -3.621 -7.909 1.00 0.00 C ATOM 567 O ILE A 38 9.490 -3.342 -6.722 1.00 0.00 O ATOM 568 CB ILE A 38 9.093 -1.399 -9.155 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.677 -1.701 -9.661 1.00 0.00 C ATOM 570 CG2 ILE A 38 9.822 -0.407 -10.074 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.761 -0.475 -9.633 1.00 0.00 C ATOM 0 H ILE A 38 9.600 -3.191 -10.976 1.00 0.00 H new ATOM 0 HA ILE A 38 10.896 -2.325 -8.568 1.00 0.00 H new ATOM 0 HB ILE A 38 8.969 -0.939 -8.175 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.734 -2.082 -10.681 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.239 -2.490 -9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.212 0.487 -10.201 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.778 -0.133 -9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.994 -0.870 -11.046 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.773 -0.750 -10.002 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.677 -0.107 -8.610 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.180 0.307 -10.266 1.00 0.00 H new ATOM 583 N ALA A 39 8.695 -4.722 -8.303 1.00 0.00 N ATOM 584 CA ALA A 39 8.107 -5.696 -7.376 1.00 0.00 C ATOM 585 C ALA A 39 8.917 -5.932 -6.082 1.00 0.00 C ATOM 586 O ALA A 39 8.360 -5.726 -5.005 1.00 0.00 O ATOM 587 CB ALA A 39 7.766 -7.004 -8.095 1.00 0.00 C ATOM 0 H ALA A 39 8.556 -4.962 -9.285 1.00 0.00 H new ATOM 0 HA ALA A 39 7.179 -5.242 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.332 -7.707 -7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.050 -6.805 -8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.673 -7.432 -8.521 1.00 0.00 H new ATOM 593 N PRO A 40 10.205 -6.328 -6.124 1.00 0.00 N ATOM 594 CA PRO A 40 11.006 -6.500 -4.916 1.00 0.00 C ATOM 595 C PRO A 40 11.043 -5.226 -4.062 1.00 0.00 C ATOM 596 O PRO A 40 10.953 -5.301 -2.838 1.00 0.00 O ATOM 597 CB PRO A 40 12.405 -6.914 -5.382 1.00 0.00 C ATOM 598 CG PRO A 40 12.460 -6.448 -6.836 1.00 0.00 C ATOM 599 CD PRO A 40 11.015 -6.623 -7.294 1.00 0.00 C ATOM 0 HA PRO A 40 10.569 -7.262 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.182 -6.442 -4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.550 -7.991 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.789 -5.412 -6.918 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.149 -7.049 -7.429 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.778 -5.948 -8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.835 -7.637 -7.652 1.00 0.00 H new ATOM 607 N ILE A 41 11.125 -4.049 -4.690 1.00 0.00 N ATOM 608 CA ILE A 41 11.099 -2.786 -3.966 1.00 0.00 C ATOM 609 C ILE A 41 9.749 -2.690 -3.251 1.00 0.00 C ATOM 610 O ILE A 41 9.706 -2.417 -2.055 1.00 0.00 O ATOM 611 CB ILE A 41 11.350 -1.578 -4.894 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.599 -1.777 -5.772 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.512 -0.316 -4.036 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.837 -0.608 -6.735 1.00 0.00 C ATOM 0 H ILE A 41 11.210 -3.951 -5.702 1.00 0.00 H new ATOM 0 HA ILE A 41 11.909 -2.760 -3.237 1.00 0.00 H new ATOM 0 HB ILE A 41 10.495 -1.477 -5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.473 -1.899 -5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.493 -2.698 -6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.690 0.543 -4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.604 -0.152 -3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.357 -0.442 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.730 -0.802 -7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.977 -0.501 -7.397 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.973 0.311 -6.165 1.00 0.00 H new ATOM 626 N LEU A 42 8.647 -2.949 -3.964 1.00 0.00 N ATOM 627 CA LEU A 42 7.315 -2.929 -3.364 1.00 0.00 C ATOM 628 C LEU A 42 7.252 -3.901 -2.176 1.00 0.00 C ATOM 629 O LEU A 42 6.699 -3.569 -1.128 1.00 0.00 O ATOM 630 CB LEU A 42 6.216 -3.247 -4.391 1.00 0.00 C ATOM 631 CG LEU A 42 6.219 -2.361 -5.650 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.033 -2.744 -6.541 1.00 0.00 C ATOM 633 CD2 LEU A 42 6.134 -0.870 -5.306 1.00 0.00 C ATOM 0 H LEU A 42 8.655 -3.175 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 42 7.130 -1.918 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.318 -4.288 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.246 -3.153 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 42 7.161 -2.528 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.032 -2.119 -7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.119 -3.791 -6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.103 -2.595 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.139 -0.284 -6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.213 -0.675 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.989 -0.589 -4.692 1.00 0.00 H new ATOM 645 N ASP A 43 7.831 -5.096 -2.325 1.00 0.00 N ATOM 646 CA ASP A 43 7.872 -6.102 -1.267 1.00 0.00 C ATOM 647 C ASP A 43 8.588 -5.530 -0.037 1.00 0.00 C ATOM 648 O ASP A 43 8.086 -5.617 1.083 1.00 0.00 O ATOM 649 CB ASP A 43 8.550 -7.390 -1.759 1.00 0.00 C ATOM 650 CG ASP A 43 7.830 -8.075 -2.919 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.586 -7.973 -2.978 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.539 -8.716 -3.725 1.00 0.00 O ATOM 0 H ASP A 43 8.286 -5.391 -3.189 1.00 0.00 H new ATOM 0 HA ASP A 43 6.851 -6.361 -0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.569 -7.156 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.621 -8.090 -0.927 1.00 0.00 H new ATOM 657 N GLU A 44 9.762 -4.925 -0.237 1.00 0.00 N ATOM 658 CA GLU A 44 10.498 -4.304 0.859 1.00 0.00 C ATOM 659 C GLU A 44 9.642 -3.210 1.506 1.00 0.00 C ATOM 660 O GLU A 44 9.479 -3.188 2.725 1.00 0.00 O ATOM 661 CB GLU A 44 11.822 -3.731 0.352 1.00 0.00 C ATOM 662 CG GLU A 44 12.808 -4.831 -0.063 1.00 0.00 C ATOM 663 CD GLU A 44 14.087 -4.246 -0.658 1.00 0.00 C ATOM 664 OE1 GLU A 44 13.964 -3.295 -1.460 1.00 0.00 O ATOM 665 OE2 GLU A 44 15.169 -4.753 -0.291 1.00 0.00 O ATOM 0 H GLU A 44 10.219 -4.854 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 44 10.723 -5.060 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.631 -3.077 -0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.272 -3.117 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.057 -5.443 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.335 -5.488 -0.792 1.00 0.00 H new ATOM 672 N ILE A 45 9.076 -2.316 0.690 1.00 0.00 N ATOM 673 CA ILE A 45 8.205 -1.240 1.150 1.00 0.00 C ATOM 674 C ILE A 45 7.090 -1.808 2.031 1.00 0.00 C ATOM 675 O ILE A 45 6.825 -1.267 3.104 1.00 0.00 O ATOM 676 CB ILE A 45 7.660 -0.449 -0.051 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.744 0.417 -0.719 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.428 0.396 0.294 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.303 1.556 0.137 1.00 0.00 C ATOM 0 H ILE A 45 9.214 -2.323 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 45 8.776 -0.542 1.762 1.00 0.00 H new ATOM 0 HB ILE A 45 7.340 -1.202 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.570 -0.230 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.331 0.843 -1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.092 0.929 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.629 -0.254 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.686 1.114 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.058 2.100 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.496 2.235 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.754 1.145 1.040 1.00 0.00 H new ATOM 691 N ALA A 46 6.452 -2.900 1.596 1.00 0.00 N ATOM 692 CA ALA A 46 5.395 -3.550 2.359 1.00 0.00 C ATOM 693 C ALA A 46 5.866 -3.910 3.770 1.00 0.00 C ATOM 694 O ALA A 46 5.076 -3.851 4.708 1.00 0.00 O ATOM 695 CB ALA A 46 4.869 -4.780 1.612 1.00 0.00 C ATOM 0 H ALA A 46 6.658 -3.353 0.706 1.00 0.00 H new ATOM 0 HA ALA A 46 4.572 -2.844 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.080 -5.252 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.470 -4.475 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.683 -5.490 1.461 1.00 0.00 H new ATOM 701 N ASP A 47 7.148 -4.257 3.940 1.00 0.00 N ATOM 702 CA ASP A 47 7.698 -4.537 5.259 1.00 0.00 C ATOM 703 C ASP A 47 7.983 -3.222 5.983 1.00 0.00 C ATOM 704 O ASP A 47 7.507 -3.010 7.096 1.00 0.00 O ATOM 705 CB ASP A 47 8.964 -5.396 5.155 1.00 0.00 C ATOM 706 CG ASP A 47 9.530 -5.682 6.542 1.00 0.00 C ATOM 707 OD1 ASP A 47 9.036 -6.643 7.171 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.431 -4.921 6.956 1.00 0.00 O ATOM 0 H ASP A 47 7.818 -4.349 3.177 1.00 0.00 H new ATOM 0 HA ASP A 47 6.967 -5.105 5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.734 -6.334 4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.711 -4.882 4.550 1.00 0.00 H new ATOM 713 N GLU A 48 8.765 -2.340 5.357 1.00 0.00 N ATOM 714 CA GLU A 48 9.167 -1.061 5.926 1.00 0.00 C ATOM 715 C GLU A 48 7.981 -0.266 6.477 1.00 0.00 C ATOM 716 O GLU A 48 8.059 0.296 7.568 1.00 0.00 O ATOM 717 CB GLU A 48 9.922 -0.260 4.859 1.00 0.00 C ATOM 718 CG GLU A 48 11.282 -0.901 4.549 1.00 0.00 C ATOM 719 CD GLU A 48 11.953 -0.256 3.343 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.508 -0.562 2.218 1.00 0.00 O ATOM 721 OE2 GLU A 48 12.903 0.527 3.564 1.00 0.00 O ATOM 0 H GLU A 48 9.141 -2.502 4.423 1.00 0.00 H new ATOM 0 HA GLU A 48 9.821 -1.253 6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.325 -0.207 3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.069 0.764 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.933 -0.810 5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.147 -1.966 4.363 1.00 0.00 H new ATOM 728 N TYR A 49 6.891 -0.217 5.715 1.00 0.00 N ATOM 729 CA TYR A 49 5.679 0.504 6.075 1.00 0.00 C ATOM 730 C TYR A 49 4.564 -0.438 6.553 1.00 0.00 C ATOM 731 O TYR A 49 3.391 -0.060 6.515 1.00 0.00 O ATOM 732 CB TYR A 49 5.234 1.354 4.878 1.00 0.00 C ATOM 733 CG TYR A 49 6.113 2.557 4.591 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.213 2.463 3.718 1.00 0.00 C ATOM 735 CD2 TYR A 49 5.779 3.797 5.161 1.00 0.00 C ATOM 736 CE1 TYR A 49 7.941 3.619 3.374 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.523 4.942 4.844 1.00 0.00 C ATOM 738 CZ TYR A 49 7.580 4.864 3.926 1.00 0.00 C ATOM 739 OH TYR A 49 8.205 6.019 3.564 1.00 0.00 O ATOM 0 H TYR A 49 6.827 -0.688 4.812 1.00 0.00 H new ATOM 0 HA TYR A 49 5.895 1.158 6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.207 0.721 3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.215 1.700 5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.499 1.504 3.312 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.947 3.868 5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.773 3.551 2.689 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.281 5.887 5.308 1.00 0.00 H new ATOM 0 HH TYR A 49 8.446 5.977 2.615 1.00 0.00 H new ATOM 749 N GLN A 50 4.896 -1.651 7.017 1.00 0.00 N ATOM 750 CA GLN A 50 3.891 -2.597 7.479 1.00 0.00 C ATOM 751 C GLN A 50 2.946 -1.948 8.495 1.00 0.00 C ATOM 752 O GLN A 50 3.383 -1.202 9.371 1.00 0.00 O ATOM 753 CB GLN A 50 4.556 -3.859 8.039 1.00 0.00 C ATOM 754 CG GLN A 50 5.321 -3.634 9.351 1.00 0.00 C ATOM 755 CD GLN A 50 6.166 -4.855 9.695 1.00 0.00 C ATOM 756 OE1 GLN A 50 5.776 -5.686 10.509 1.00 0.00 O ATOM 757 NE2 GLN A 50 7.329 -4.974 9.067 1.00 0.00 N ATOM 0 H GLN A 50 5.855 -1.993 7.079 1.00 0.00 H new ATOM 0 HA GLN A 50 3.282 -2.897 6.626 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.791 -4.618 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.244 -4.256 7.293 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.961 -2.756 9.259 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.617 -3.433 10.159 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.621 -4.263 8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.930 -5.776 9.255 1.00 0.00 H new ATOM 766 N GLY A 51 1.643 -2.194 8.355 1.00 0.00 N ATOM 767 CA GLY A 51 0.635 -1.629 9.241 1.00 0.00 C ATOM 768 C GLY A 51 0.273 -0.178 8.909 1.00 0.00 C ATOM 769 O GLY A 51 -0.820 0.257 9.259 1.00 0.00 O ATOM 0 H GLY A 51 1.260 -2.792 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.266 -2.241 9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.996 -1.679 10.268 1.00 0.00 H new ATOM 773 N LYS A 52 1.157 0.576 8.241 1.00 0.00 N ATOM 774 CA LYS A 52 0.907 1.968 7.890 1.00 0.00 C ATOM 775 C LYS A 52 0.452 2.073 6.436 1.00 0.00 C ATOM 776 O LYS A 52 -0.505 2.784 6.136 1.00 0.00 O ATOM 777 CB LYS A 52 2.170 2.805 8.137 1.00 0.00 C ATOM 778 CG LYS A 52 2.613 2.713 9.604 1.00 0.00 C ATOM 779 CD LYS A 52 3.604 3.823 9.984 1.00 0.00 C ATOM 780 CE LYS A 52 4.880 3.831 9.134 1.00 0.00 C ATOM 781 NZ LYS A 52 5.604 2.550 9.221 1.00 0.00 N ATOM 0 H LYS A 52 2.065 0.231 7.931 1.00 0.00 H new ATOM 0 HA LYS A 52 0.109 2.359 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.974 2.457 7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.978 3.846 7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.737 2.774 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.074 1.741 9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.108 4.789 9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.878 3.709 11.033 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.623 4.033 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.532 4.640 9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.494 2.618 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.812 2.336 10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.017 1.791 8.819 1.00 0.00 H new ATOM 795 N LEU A 53 1.139 1.365 5.534 1.00 0.00 N ATOM 796 CA LEU A 53 0.849 1.356 4.111 1.00 0.00 C ATOM 797 C LEU A 53 0.495 -0.065 3.687 1.00 0.00 C ATOM 798 O LEU A 53 1.305 -0.979 3.832 1.00 0.00 O ATOM 799 CB LEU A 53 2.093 1.826 3.353 1.00 0.00 C ATOM 800 CG LEU A 53 1.848 2.069 1.859 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.127 3.402 1.635 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.207 2.097 1.162 1.00 0.00 C ATOM 0 H LEU A 53 1.929 0.771 5.787 1.00 0.00 H new ATOM 0 HA LEU A 53 0.013 2.019 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.458 2.747 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.880 1.081 3.467 1.00 0.00 H new ATOM 0 HG LEU A 53 1.219 1.276 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.964 3.553 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.167 3.387 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.737 4.216 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.065 2.269 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.814 2.899 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.713 1.143 1.312 1.00 0.00 H new ATOM 814 N THR A 54 -0.699 -0.246 3.131 1.00 0.00 N ATOM 815 CA THR A 54 -1.148 -1.526 2.625 1.00 0.00 C ATOM 816 C THR A 54 -0.799 -1.552 1.135 1.00 0.00 C ATOM 817 O THR A 54 -1.447 -0.901 0.317 1.00 0.00 O ATOM 818 CB THR A 54 -2.642 -1.647 2.937 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.810 -1.634 4.339 1.00 0.00 O ATOM 820 CG2 THR A 54 -3.270 -2.930 2.391 1.00 0.00 C ATOM 0 H THR A 54 -1.384 0.502 3.021 1.00 0.00 H new ATOM 0 HA THR A 54 -0.668 -2.390 3.086 1.00 0.00 H new ATOM 0 HB THR A 54 -3.141 -0.807 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.763 -1.709 4.555 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.329 -2.954 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.157 -2.958 1.307 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.772 -3.794 2.830 1.00 0.00 H new ATOM 828 N VAL A 55 0.256 -2.276 0.764 1.00 0.00 N ATOM 829 CA VAL A 55 0.680 -2.327 -0.626 1.00 0.00 C ATOM 830 C VAL A 55 -0.239 -3.298 -1.368 1.00 0.00 C ATOM 831 O VAL A 55 -0.579 -4.366 -0.852 1.00 0.00 O ATOM 832 CB VAL A 55 2.160 -2.737 -0.716 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.671 -2.651 -2.160 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.048 -1.820 0.133 1.00 0.00 C ATOM 0 H VAL A 55 0.826 -2.830 1.404 1.00 0.00 H new ATOM 0 HA VAL A 55 0.601 -1.345 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 55 2.215 -3.762 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.720 -2.946 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.086 -3.318 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.571 -1.627 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.087 -2.138 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.952 -0.793 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.737 -1.876 1.176 1.00 0.00 H new ATOM 844 N ALA A 56 -0.651 -2.931 -2.580 1.00 0.00 N ATOM 845 CA ALA A 56 -1.524 -3.730 -3.417 1.00 0.00 C ATOM 846 C ALA A 56 -1.005 -3.714 -4.854 1.00 0.00 C ATOM 847 O ALA A 56 -0.369 -2.752 -5.282 1.00 0.00 O ATOM 848 CB ALA A 56 -2.951 -3.188 -3.322 1.00 0.00 C ATOM 0 H ALA A 56 -0.377 -2.048 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.534 -4.766 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.610 -3.787 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.291 -3.238 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.970 -2.152 -3.660 1.00 0.00 H new ATOM 854 N LYS A 57 -1.271 -4.783 -5.597 1.00 0.00 N ATOM 855 CA LYS A 57 -0.892 -4.955 -6.987 1.00 0.00 C ATOM 856 C LYS A 57 -2.154 -5.366 -7.748 1.00 0.00 C ATOM 857 O LYS A 57 -2.910 -6.202 -7.255 1.00 0.00 O ATOM 858 CB LYS A 57 0.202 -6.030 -7.074 1.00 0.00 C ATOM 859 CG LYS A 57 1.617 -5.448 -6.951 1.00 0.00 C ATOM 860 CD LYS A 57 2.680 -6.494 -6.557 1.00 0.00 C ATOM 861 CE LYS A 57 3.234 -7.386 -7.677 1.00 0.00 C ATOM 862 NZ LYS A 57 2.194 -8.010 -8.510 1.00 0.00 N ATOM 0 H LYS A 57 -1.779 -5.586 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.489 -4.040 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.046 -6.765 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.112 -6.558 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.899 -4.995 -7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.610 -4.651 -6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.517 -5.969 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.251 -7.140 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.887 -6.789 -8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.850 -8.169 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.609 -8.792 -9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.435 -8.377 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.801 -7.302 -9.163 1.00 0.00 H new ATOM 876 N LEU A 58 -2.398 -4.793 -8.931 1.00 0.00 N ATOM 877 CA LEU A 58 -3.559 -5.120 -9.753 1.00 0.00 C ATOM 878 C LEU A 58 -3.117 -5.484 -11.168 1.00 0.00 C ATOM 879 O LEU A 58 -2.464 -4.688 -11.843 1.00 0.00 O ATOM 880 CB LEU A 58 -4.567 -3.967 -9.724 1.00 0.00 C ATOM 881 CG LEU A 58 -5.853 -4.331 -10.492 1.00 0.00 C ATOM 882 CD1 LEU A 58 -7.059 -3.723 -9.782 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.826 -3.788 -11.927 1.00 0.00 C ATOM 0 H LEU A 58 -1.790 -4.086 -9.344 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.065 -5.995 -9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.814 -3.723 -8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.118 -3.077 -10.163 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.921 -5.418 -10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.969 -3.980 -10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.119 -4.115 -8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.952 -2.639 -9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.748 -4.064 -12.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.735 -2.702 -11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.975 -4.212 -12.460 1.00 0.00 H new ATOM 895 N ASN A 59 -3.472 -6.697 -11.611 1.00 0.00 N ATOM 896 CA ASN A 59 -3.129 -7.189 -12.935 1.00 0.00 C ATOM 897 C ASN A 59 -4.137 -6.674 -13.964 1.00 0.00 C ATOM 898 O ASN A 59 -5.272 -7.155 -14.019 1.00 0.00 O ATOM 899 CB ASN A 59 -3.097 -8.718 -12.963 1.00 0.00 C ATOM 900 CG ASN A 59 -2.729 -9.170 -14.368 1.00 0.00 C ATOM 901 OD1 ASN A 59 -3.606 -9.500 -15.153 1.00 0.00 O ATOM 902 ND2 ASN A 59 -1.450 -9.151 -14.725 1.00 0.00 N ATOM 0 H ASN A 59 -4.008 -7.361 -11.052 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.134 -6.820 -13.185 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.371 -9.094 -12.242 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.068 -9.122 -12.678 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.181 -9.416 -15.673 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.737 -8.872 -14.052 1.00 0.00 H new ATOM 909 N ILE A 60 -3.723 -5.711 -14.787 1.00 0.00 N ATOM 910 CA ILE A 60 -4.575 -5.113 -15.805 1.00 0.00 C ATOM 911 C ILE A 60 -4.947 -6.099 -16.913 1.00 0.00 C ATOM 912 O ILE A 60 -5.990 -5.928 -17.534 1.00 0.00 O ATOM 913 CB ILE A 60 -3.956 -3.819 -16.360 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.678 -4.071 -17.179 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.678 -2.831 -15.219 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.947 -4.089 -18.688 1.00 0.00 C ATOM 0 H ILE A 60 -2.780 -5.324 -14.763 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.512 -4.843 -15.319 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.685 -3.386 -17.045 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.945 -3.296 -16.952 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.239 -5.023 -16.879 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.240 -1.919 -15.626 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.612 -2.590 -14.711 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.985 -3.281 -14.509 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.014 -4.270 -19.222 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.658 -4.881 -18.921 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.360 -3.128 -18.995 1.00 0.00 H new ATOM 928 N ASP A 61 -4.129 -7.129 -17.178 1.00 0.00 N ATOM 929 CA ASP A 61 -4.449 -8.096 -18.230 1.00 0.00 C ATOM 930 C ASP A 61 -5.800 -8.745 -17.926 1.00 0.00 C ATOM 931 O ASP A 61 -6.687 -8.792 -18.772 1.00 0.00 O ATOM 932 CB ASP A 61 -3.381 -9.191 -18.381 1.00 0.00 C ATOM 933 CG ASP A 61 -1.963 -8.664 -18.555 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.717 -8.012 -19.595 1.00 0.00 O ATOM 935 OD2 ASP A 61 -1.146 -8.934 -17.646 1.00 0.00 O ATOM 0 H ASP A 61 -3.255 -7.310 -16.685 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.483 -7.548 -19.172 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.411 -9.835 -17.502 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.633 -9.812 -19.240 1.00 0.00 H new ATOM 940 N GLN A 62 -5.935 -9.244 -16.697 1.00 0.00 N ATOM 941 CA GLN A 62 -7.142 -9.888 -16.216 1.00 0.00 C ATOM 942 C GLN A 62 -8.200 -8.855 -15.830 1.00 0.00 C ATOM 943 O GLN A 62 -9.392 -9.138 -15.926 1.00 0.00 O ATOM 944 CB GLN A 62 -6.796 -10.790 -15.023 1.00 0.00 C ATOM 945 CG GLN A 62 -5.893 -11.964 -15.428 1.00 0.00 C ATOM 946 CD GLN A 62 -6.539 -12.887 -16.455 1.00 0.00 C ATOM 947 OE1 GLN A 62 -6.010 -13.081 -17.544 1.00 0.00 O ATOM 948 NE2 GLN A 62 -7.690 -13.465 -16.123 1.00 0.00 N ATOM 0 H GLN A 62 -5.191 -9.208 -16.001 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.561 -10.498 -17.016 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.298 -10.199 -14.255 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.715 -11.176 -14.582 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.960 -11.574 -15.835 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.637 -12.541 -14.540 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.106 -13.285 -15.209 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.156 -14.089 -16.782 1.00 0.00 H new ATOM 957 N ASN A 63 -7.775 -7.675 -15.365 1.00 0.00 N ATOM 958 CA ASN A 63 -8.675 -6.623 -14.893 1.00 0.00 C ATOM 959 C ASN A 63 -8.479 -5.324 -15.678 1.00 0.00 C ATOM 960 O ASN A 63 -8.034 -4.326 -15.105 1.00 0.00 O ATOM 961 CB ASN A 63 -8.428 -6.388 -13.398 1.00 0.00 C ATOM 962 CG ASN A 63 -8.476 -7.673 -12.585 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.529 -8.061 -12.088 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.331 -8.332 -12.433 1.00 0.00 N ATOM 0 H ASN A 63 -6.788 -7.424 -15.306 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.704 -6.945 -15.052 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.455 -5.915 -13.265 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.175 -5.693 -13.015 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.307 -9.193 -11.887 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.477 -7.976 -12.862 1.00 0.00 H new ATOM 971 N PRO A 64 -8.807 -5.300 -16.979 1.00 0.00 N ATOM 972 CA PRO A 64 -8.602 -4.128 -17.811 1.00 0.00 C ATOM 973 C PRO A 64 -9.407 -2.927 -17.322 1.00 0.00 C ATOM 974 O PRO A 64 -8.828 -1.871 -17.095 1.00 0.00 O ATOM 975 CB PRO A 64 -8.965 -4.555 -19.237 1.00 0.00 C ATOM 976 CG PRO A 64 -9.884 -5.763 -19.047 1.00 0.00 C ATOM 977 CD PRO A 64 -9.354 -6.397 -17.761 1.00 0.00 C ATOM 0 HA PRO A 64 -7.568 -3.786 -17.768 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.469 -3.753 -19.776 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.077 -4.817 -19.812 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.928 -5.465 -18.950 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.826 -6.451 -19.890 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.150 -6.906 -17.218 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.589 -7.143 -17.978 1.00 0.00 H new ATOM 985 N GLY A 65 -10.727 -3.092 -17.163 1.00 0.00 N ATOM 986 CA GLY A 65 -11.679 -2.055 -16.763 1.00 0.00 C ATOM 987 C GLY A 65 -11.140 -1.074 -15.721 1.00 0.00 C ATOM 988 O GLY A 65 -11.297 0.142 -15.852 1.00 0.00 O ATOM 0 H GLY A 65 -11.178 -3.994 -17.317 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.983 -1.496 -17.648 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.574 -2.534 -16.366 1.00 0.00 H new ATOM 992 N THR A 66 -10.505 -1.599 -14.677 1.00 0.00 N ATOM 993 CA THR A 66 -9.929 -0.823 -13.598 1.00 0.00 C ATOM 994 C THR A 66 -8.985 0.281 -14.093 1.00 0.00 C ATOM 995 O THR A 66 -8.999 1.388 -13.553 1.00 0.00 O ATOM 996 CB THR A 66 -9.261 -1.789 -12.601 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.398 -3.139 -13.024 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.919 -1.642 -11.227 1.00 0.00 C ATOM 0 H THR A 66 -10.377 -2.604 -14.561 1.00 0.00 H new ATOM 0 HA THR A 66 -10.724 -0.282 -13.085 1.00 0.00 H new ATOM 0 HB THR A 66 -8.201 -1.539 -12.549 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.814 -3.301 -13.794 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.446 -2.326 -10.522 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.800 -0.618 -10.874 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.980 -1.878 -11.305 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.186 0.006 -15.130 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.265 0.993 -15.681 1.00 0.00 C ATOM 1008 C ALA A 67 -8.033 2.214 -16.216 1.00 0.00 C ATOM 1009 O ALA A 67 -7.900 3.281 -15.619 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.244 0.352 -16.634 1.00 0.00 C ATOM 0 H ALA A 67 -8.163 -0.897 -15.603 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.637 1.397 -14.887 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.576 1.121 -17.023 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.662 -0.395 -16.094 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.769 -0.125 -17.462 1.00 0.00 H new ATOM 1016 N PRO A 68 -8.848 2.113 -17.287 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.668 3.226 -17.745 1.00 0.00 C ATOM 1018 C PRO A 68 -10.497 3.853 -16.618 1.00 0.00 C ATOM 1019 O PRO A 68 -10.535 5.077 -16.518 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.575 2.669 -18.845 1.00 0.00 C ATOM 1021 CG PRO A 68 -9.748 1.520 -19.407 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.072 0.968 -18.154 1.00 0.00 C ATOM 0 HA PRO A 68 -9.031 4.029 -18.115 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.530 2.325 -18.448 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.797 3.418 -19.605 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.371 0.772 -19.897 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.022 1.863 -20.144 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.702 0.225 -17.665 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.132 0.475 -18.402 1.00 0.00 H new ATOM 1030 N LYS A 69 -11.158 3.049 -15.768 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.972 3.591 -14.678 1.00 0.00 C ATOM 1032 C LYS A 69 -11.186 4.586 -13.820 1.00 0.00 C ATOM 1033 O LYS A 69 -11.691 5.670 -13.538 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.588 2.479 -13.817 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.783 1.819 -14.519 1.00 0.00 C ATOM 1036 CD LYS A 69 -14.648 0.956 -13.584 1.00 0.00 C ATOM 1037 CE LYS A 69 -13.915 -0.242 -12.967 1.00 0.00 C ATOM 1038 NZ LYS A 69 -13.184 0.120 -11.740 1.00 0.00 N ATOM 0 H LYS A 69 -11.142 2.030 -15.817 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.793 4.138 -15.141 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.831 1.725 -13.599 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.910 2.893 -12.862 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.406 2.595 -14.963 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.416 1.198 -15.336 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.031 1.585 -12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.510 0.591 -14.142 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.635 -1.028 -12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.216 -0.652 -13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.025 -0.733 -11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.268 0.543 -11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.742 0.806 -11.193 1.00 0.00 H new ATOM 1130 N ILE A 75 1.793 1.605 -17.215 1.00 0.00 N ATOM 1131 CA ILE A 75 2.222 0.693 -16.160 1.00 0.00 C ATOM 1132 C ILE A 75 3.755 0.630 -16.149 1.00 0.00 C ATOM 1133 O ILE A 75 4.355 0.641 -17.223 1.00 0.00 O ATOM 1134 CB ILE A 75 1.574 -0.695 -16.319 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.869 -1.322 -17.692 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.063 -0.621 -16.051 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.230 -2.703 -17.822 1.00 0.00 C ATOM 0 HA ILE A 75 1.886 1.068 -15.193 1.00 0.00 H new ATOM 0 HB ILE A 75 2.023 -1.351 -15.574 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.493 -0.670 -18.480 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.947 -1.403 -17.833 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.376 -1.612 -16.168 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.109 -0.266 -15.035 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.399 0.067 -16.759 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.458 -3.118 -18.804 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.626 -3.361 -17.049 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.150 -2.616 -17.706 1.00 0.00 H new ATOM 1149 N PRO A 76 4.408 0.571 -14.975 1.00 0.00 N ATOM 1150 CA PRO A 76 3.806 0.584 -13.651 1.00 0.00 C ATOM 1151 C PRO A 76 3.267 1.978 -13.327 1.00 0.00 C ATOM 1152 O PRO A 76 3.834 2.978 -13.760 1.00 0.00 O ATOM 1153 CB PRO A 76 4.936 0.225 -12.679 1.00 0.00 C ATOM 1154 CG PRO A 76 6.189 0.720 -13.399 1.00 0.00 C ATOM 1155 CD PRO A 76 5.854 0.499 -14.875 1.00 0.00 C ATOM 0 HA PRO A 76 2.972 -0.114 -13.584 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.807 0.714 -11.714 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.978 -0.848 -12.490 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.389 1.770 -13.184 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.074 0.159 -13.099 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.326 1.257 -15.499 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.221 -0.469 -15.217 1.00 0.00 H new ATOM 1163 N THR A 77 2.181 2.033 -12.558 1.00 0.00 N ATOM 1164 CA THR A 77 1.588 3.270 -12.080 1.00 0.00 C ATOM 1165 C THR A 77 1.036 2.958 -10.696 1.00 0.00 C ATOM 1166 O THR A 77 0.303 1.981 -10.531 1.00 0.00 O ATOM 1167 CB THR A 77 0.523 3.812 -13.046 1.00 0.00 C ATOM 1168 OG1 THR A 77 1.141 4.250 -14.232 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.210 5.019 -12.464 1.00 0.00 C ATOM 0 H THR A 77 1.683 1.199 -12.246 1.00 0.00 H new ATOM 0 HA THR A 77 2.325 4.071 -12.025 1.00 0.00 H new ATOM 0 HB THR A 77 -0.183 3.002 -13.227 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.461 4.594 -14.848 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.954 5.372 -13.178 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.705 4.732 -11.536 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.505 5.816 -12.262 1.00 0.00 H new ATOM 1177 N LEU A 78 1.428 3.771 -9.715 1.00 0.00 N ATOM 1178 CA LEU A 78 1.073 3.640 -8.317 1.00 0.00 C ATOM 1179 C LEU A 78 -0.017 4.659 -7.995 1.00 0.00 C ATOM 1180 O LEU A 78 0.192 5.844 -8.246 1.00 0.00 O ATOM 1181 CB LEU A 78 2.315 3.930 -7.454 1.00 0.00 C ATOM 1182 CG LEU A 78 3.602 3.203 -7.883 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.753 3.605 -6.953 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.431 1.684 -7.839 1.00 0.00 C ATOM 0 H LEU A 78 2.031 4.575 -9.891 1.00 0.00 H new ATOM 0 HA LEU A 78 0.713 2.632 -8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.503 5.004 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.091 3.658 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 78 3.824 3.494 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.664 3.090 -7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.909 4.682 -7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.506 3.329 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.360 1.204 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.184 1.375 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.628 1.389 -8.514 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.152 4.229 -7.435 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.230 5.105 -6.979 1.00 0.00 C ATOM 1198 C LEU A 79 -2.331 4.915 -5.466 1.00 0.00 C ATOM 1199 O LEU A 79 -2.574 3.798 -5.013 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.577 4.749 -7.625 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.863 5.419 -8.976 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.883 4.980 -10.062 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.298 5.120 -9.421 1.00 0.00 C ATOM 0 H LEU A 79 -1.349 3.240 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.008 6.135 -7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.621 3.668 -7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.374 5.016 -6.931 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.736 6.492 -8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.128 5.482 -10.998 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.868 5.243 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.952 3.901 -10.200 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.489 5.601 -10.381 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.431 4.043 -9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.997 5.504 -8.678 1.00 0.00 H new ATOM 1215 N LEU A 80 -2.146 5.984 -4.690 1.00 0.00 N ATOM 1216 CA LEU A 80 -2.211 5.939 -3.237 1.00 0.00 C ATOM 1217 C LEU A 80 -3.605 6.369 -2.776 1.00 0.00 C ATOM 1218 O LEU A 80 -3.919 7.559 -2.754 1.00 0.00 O ATOM 1219 CB LEU A 80 -1.072 6.791 -2.662 1.00 0.00 C ATOM 1220 CG LEU A 80 -1.065 6.882 -1.131 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -1.039 5.499 -0.471 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.164 7.681 -0.690 1.00 0.00 C ATOM 0 H LEU A 80 -1.945 6.913 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.066 4.926 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.120 6.377 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.143 7.798 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.983 7.377 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.035 5.613 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.921 4.935 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.142 4.964 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.180 7.753 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.068 7.178 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.120 8.682 -1.119 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.433 5.390 -2.411 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.798 5.564 -1.942 1.00 0.00 C ATOM 1236 C PHE A 81 -5.822 5.656 -0.416 1.00 0.00 C ATOM 1237 O PHE A 81 -5.596 4.653 0.258 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.656 4.371 -2.388 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.984 4.332 -3.869 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -6.072 3.771 -4.781 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.262 4.721 -4.316 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.439 3.599 -6.126 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.617 4.575 -5.666 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.688 4.054 -6.581 1.00 0.00 C ATOM 0 H PHE A 81 -4.152 4.410 -2.437 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.199 6.485 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.136 3.450 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.589 4.384 -1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.089 3.472 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.973 5.134 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.759 3.116 -6.812 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.603 4.863 -6.000 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.933 4.003 -7.632 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.994 7.609 -1.101 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.708 8.830 -1.838 1.00 0.00 C ATOM 1299 C GLU A 85 -8.287 8.770 -2.400 1.00 0.00 C ATOM 1300 O GLU A 85 -7.334 8.661 -1.630 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.860 10.051 -0.919 1.00 0.00 C ATOM 1302 CG GLU A 85 -11.321 10.343 -0.542 1.00 0.00 C ATOM 1303 CD GLU A 85 -11.920 9.317 0.415 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -11.491 9.321 1.589 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -12.807 8.565 -0.046 1.00 0.00 O ATOM 0 HA GLU A 85 -10.416 8.923 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.282 9.888 -0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.437 10.925 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.379 11.331 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.923 10.375 -1.450 1.00 0.00 H new ATOM 1312 N VAL A 86 -8.131 8.868 -3.725 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.812 8.921 -4.347 1.00 0.00 C ATOM 1314 C VAL A 86 -6.114 10.193 -3.849 1.00 0.00 C ATOM 1315 O VAL A 86 -6.473 11.295 -4.257 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.929 8.908 -5.882 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.541 9.004 -6.534 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.588 7.613 -6.366 1.00 0.00 C ATOM 0 H VAL A 86 -8.907 8.912 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.225 8.044 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.537 9.766 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.647 8.993 -7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.058 9.931 -6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.932 8.156 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.660 7.626 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.987 6.760 -6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.587 7.531 -5.937 1.00 0.00 H new ATOM 1328 N ALA A 87 -5.132 10.044 -2.958 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.401 11.158 -2.378 1.00 0.00 C ATOM 1330 C ALA A 87 -3.335 11.655 -3.350 1.00 0.00 C ATOM 1331 O ALA A 87 -3.164 12.860 -3.525 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.772 10.712 -1.058 1.00 0.00 C ATOM 0 H ALA A 87 -4.823 9.133 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.085 11.984 -2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.222 11.544 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.556 10.391 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.089 9.882 -1.242 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.617 10.725 -3.983 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.571 11.027 -4.943 1.00 0.00 C ATOM 1340 C ALA A 88 -1.339 9.791 -5.801 1.00 0.00 C ATOM 1341 O ALA A 88 -1.824 8.705 -5.469 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.284 11.420 -4.213 1.00 0.00 C ATOM 0 H ALA A 88 -2.754 9.725 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.870 11.864 -5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.494 11.644 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.469 12.300 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.041 10.595 -3.578 1.00 0.00 H new ATOM 1348 N THR A 89 -0.580 9.946 -6.887 1.00 0.00 N ATOM 1349 CA THR A 89 -0.234 8.856 -7.781 1.00 0.00 C ATOM 1350 C THR A 89 1.185 9.090 -8.293 1.00 0.00 C ATOM 1351 O THR A 89 1.682 10.215 -8.202 1.00 0.00 O ATOM 1352 CB THR A 89 -1.242 8.743 -8.947 1.00 0.00 C ATOM 1353 OG1 THR A 89 -0.949 9.654 -9.989 1.00 0.00 O ATOM 1354 CG2 THR A 89 -2.699 8.974 -8.534 1.00 0.00 C ATOM 0 H THR A 89 -0.187 10.845 -7.168 1.00 0.00 H new ATOM 0 HA THR A 89 -0.278 7.910 -7.241 1.00 0.00 H new ATOM 0 HB THR A 89 -1.133 7.713 -9.288 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.607 9.551 -10.708 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.344 8.878 -9.407 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.987 8.235 -7.787 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.804 9.974 -8.114 1.00 0.00 H new ATOM 1362 N LYS A 90 1.818 8.054 -8.844 1.00 0.00 N ATOM 1363 CA LYS A 90 3.138 8.138 -9.450 1.00 0.00 C ATOM 1364 C LYS A 90 3.118 7.230 -10.676 1.00 0.00 C ATOM 1365 O LYS A 90 2.846 6.038 -10.551 1.00 0.00 O ATOM 1366 CB LYS A 90 4.226 7.762 -8.427 1.00 0.00 C ATOM 1367 CG LYS A 90 5.606 8.343 -8.780 1.00 0.00 C ATOM 1368 CD LYS A 90 6.332 7.570 -9.892 1.00 0.00 C ATOM 1369 CE LYS A 90 7.530 8.363 -10.427 1.00 0.00 C ATOM 1370 NZ LYS A 90 8.093 7.724 -11.632 1.00 0.00 N ATOM 0 H LYS A 90 1.416 7.117 -8.880 1.00 0.00 H new ATOM 0 HA LYS A 90 3.380 9.153 -9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.929 8.118 -7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.300 6.676 -8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.486 9.381 -9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.229 8.347 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.672 6.608 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.638 7.361 -10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.221 9.381 -10.662 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.297 8.433 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.762 8.375 -12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.589 6.851 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.325 7.495 -12.295 1.00 0.00 H new ATOM 1384 N VAL A 91 3.392 7.793 -11.855 1.00 0.00 N ATOM 1385 CA VAL A 91 3.420 7.077 -13.124 1.00 0.00 C ATOM 1386 C VAL A 91 4.865 6.684 -13.436 1.00 0.00 C ATOM 1387 O VAL A 91 5.763 7.521 -13.337 1.00 0.00 O ATOM 1388 CB VAL A 91 2.847 7.983 -14.229 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.832 7.270 -15.589 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.421 8.430 -13.890 1.00 0.00 C ATOM 0 H VAL A 91 3.606 8.786 -11.952 1.00 0.00 H new ATOM 0 HA VAL A 91 2.813 6.174 -13.068 1.00 0.00 H new ATOM 0 HB VAL A 91 3.498 8.855 -14.290 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.421 7.938 -16.346 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.849 6.991 -15.865 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.215 6.374 -15.523 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.041 9.069 -14.687 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.780 7.555 -13.789 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.427 8.985 -12.952 1.00 0.00 H new ATOM 1400 N GLY A 92 5.093 5.427 -13.817 1.00 0.00 N ATOM 1401 CA GLY A 92 6.414 4.927 -14.161 1.00 0.00 C ATOM 1402 C GLY A 92 7.196 4.484 -12.927 1.00 0.00 C ATOM 1403 O GLY A 92 6.820 4.766 -11.790 1.00 0.00 O ATOM 0 H GLY A 92 4.357 4.725 -13.895 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.316 4.087 -14.849 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.971 5.704 -14.684 1.00 0.00 H new ATOM 1407 N ALA A 93 8.300 3.772 -13.167 1.00 0.00 N ATOM 1408 CA ALA A 93 9.176 3.284 -12.114 1.00 0.00 C ATOM 1409 C ALA A 93 9.932 4.449 -11.471 1.00 0.00 C ATOM 1410 O ALA A 93 9.928 5.568 -11.982 1.00 0.00 O ATOM 1411 CB ALA A 93 10.140 2.244 -12.695 1.00 0.00 C ATOM 0 H ALA A 93 8.608 3.519 -14.106 1.00 0.00 H new ATOM 0 HA ALA A 93 8.582 2.807 -11.335 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.798 1.877 -11.907 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.571 1.412 -13.109 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.738 2.702 -13.483 1.00 0.00 H new ATOM 1417 N LEU A 94 10.599 4.182 -10.347 1.00 0.00 N ATOM 1418 CA LEU A 94 11.375 5.147 -9.589 1.00 0.00 C ATOM 1419 C LEU A 94 12.318 4.369 -8.678 1.00 0.00 C ATOM 1420 O LEU A 94 12.136 3.163 -8.502 1.00 0.00 O ATOM 1421 CB LEU A 94 10.460 6.107 -8.809 1.00 0.00 C ATOM 1422 CG LEU A 94 9.667 5.492 -7.639 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.864 6.605 -6.961 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.692 4.388 -8.070 1.00 0.00 C ATOM 0 H LEU A 94 10.610 3.251 -9.930 1.00 0.00 H new ATOM 0 HA LEU A 94 11.961 5.779 -10.257 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.071 6.921 -8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.751 6.549 -9.509 1.00 0.00 H new ATOM 0 HG LEU A 94 10.393 5.034 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.295 6.189 -6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.545 7.370 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.179 7.050 -7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.169 4.002 -7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.967 4.797 -8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.246 3.580 -8.548 1.00 0.00 H new ATOM 1436 N SER A 95 13.322 5.040 -8.109 1.00 0.00 N ATOM 1437 CA SER A 95 14.272 4.378 -7.229 1.00 0.00 C ATOM 1438 C SER A 95 13.640 4.116 -5.863 1.00 0.00 C ATOM 1439 O SER A 95 12.677 4.777 -5.468 1.00 0.00 O ATOM 1440 CB SER A 95 15.555 5.211 -7.105 1.00 0.00 C ATOM 1441 OG SER A 95 15.295 6.475 -6.521 1.00 0.00 O ATOM 0 H SER A 95 13.493 6.036 -8.244 1.00 0.00 H new ATOM 0 HA SER A 95 14.541 3.414 -7.660 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.284 4.672 -6.500 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.998 5.348 -8.091 1.00 0.00 H new ATOM 0 HG SER A 95 14.918 7.076 -7.197 1.00 0.00 H new ATOM 1447 N LYS A 96 14.215 3.163 -5.124 1.00 0.00 N ATOM 1448 CA LYS A 96 13.775 2.830 -3.778 1.00 0.00 C ATOM 1449 C LYS A 96 13.731 4.098 -2.925 1.00 0.00 C ATOM 1450 O LYS A 96 12.743 4.349 -2.241 1.00 0.00 O ATOM 1451 CB LYS A 96 14.712 1.764 -3.196 1.00 0.00 C ATOM 1452 CG LYS A 96 14.280 1.346 -1.787 1.00 0.00 C ATOM 1453 CD LYS A 96 15.123 0.157 -1.308 1.00 0.00 C ATOM 1454 CE LYS A 96 14.671 -0.314 0.076 1.00 0.00 C ATOM 1455 NZ LYS A 96 13.298 -0.840 0.039 1.00 0.00 N ATOM 0 H LYS A 96 15.002 2.602 -5.450 1.00 0.00 H new ATOM 0 HA LYS A 96 12.767 2.416 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.722 0.891 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.731 2.151 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.395 2.184 -1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.224 1.076 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.039 -0.663 -2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 96 16.174 0.443 -1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.349 -1.086 0.439 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.726 0.516 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.983 -1.057 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.665 -0.129 -0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.274 -1.707 -0.535 1.00 0.00 H new ATOM 1469 N GLY A 97 14.795 4.904 -2.991 1.00 0.00 N ATOM 1470 CA GLY A 97 14.882 6.163 -2.271 1.00 0.00 C ATOM 1471 C GLY A 97 13.681 7.050 -2.597 1.00 0.00 C ATOM 1472 O GLY A 97 12.937 7.438 -1.699 1.00 0.00 O ATOM 0 H GLY A 97 15.621 4.694 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.921 5.973 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.805 6.678 -2.537 1.00 0.00 H new ATOM 1476 N GLN A 98 13.470 7.349 -3.884 1.00 0.00 N ATOM 1477 CA GLN A 98 12.346 8.173 -4.311 1.00 0.00 C ATOM 1478 C GLN A 98 11.021 7.614 -3.790 1.00 0.00 C ATOM 1479 O GLN A 98 10.197 8.367 -3.275 1.00 0.00 O ATOM 1480 CB GLN A 98 12.317 8.290 -5.837 1.00 0.00 C ATOM 1481 CG GLN A 98 13.423 9.210 -6.363 1.00 0.00 C ATOM 1482 CD GLN A 98 13.469 9.170 -7.886 1.00 0.00 C ATOM 1483 OE1 GLN A 98 14.170 8.187 -8.442 1.00 0.00 O flip ATOM 1484 NE2 GLN A 98 12.875 10.003 -8.560 1.00 0.00 N flip ATOM 0 H GLN A 98 14.068 7.029 -4.646 1.00 0.00 H new ATOM 0 HA GLN A 98 12.479 9.169 -3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.429 7.300 -6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.346 8.672 -6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.247 10.231 -6.025 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.386 8.901 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.346 10.745 -8.103 1.00 0.00 H new ATOM 0 HE22 GLN A 98 12.910 9.954 -9.578 1.00 0.00 H new ATOM 1493 N LEU A 99 10.806 6.301 -3.916 1.00 0.00 N ATOM 1494 CA LEU A 99 9.576 5.683 -3.442 1.00 0.00 C ATOM 1495 C LEU A 99 9.412 5.892 -1.934 1.00 0.00 C ATOM 1496 O LEU A 99 8.371 6.374 -1.489 1.00 0.00 O ATOM 1497 CB LEU A 99 9.535 4.206 -3.856 1.00 0.00 C ATOM 1498 CG LEU A 99 8.235 3.482 -3.473 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.966 4.186 -3.971 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.264 2.074 -4.074 1.00 0.00 C ATOM 0 H LEU A 99 11.468 5.652 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 99 8.719 6.167 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.671 4.139 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.376 3.687 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 99 8.192 3.470 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.089 3.617 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.916 5.189 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.990 4.254 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.347 1.547 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.344 2.143 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.122 1.528 -3.681 1.00 0.00 H new ATOM 1512 N LYS A 100 10.440 5.565 -1.144 1.00 0.00 N ATOM 1513 CA LYS A 100 10.406 5.757 0.300 1.00 0.00 C ATOM 1514 C LYS A 100 10.090 7.212 0.642 1.00 0.00 C ATOM 1515 O LYS A 100 9.218 7.463 1.472 1.00 0.00 O ATOM 1516 CB LYS A 100 11.727 5.326 0.946 1.00 0.00 C ATOM 1517 CG LYS A 100 11.878 3.801 0.943 1.00 0.00 C ATOM 1518 CD LYS A 100 13.196 3.336 1.574 1.00 0.00 C ATOM 1519 CE LYS A 100 13.307 3.736 3.049 1.00 0.00 C ATOM 1520 NZ LYS A 100 14.402 3.009 3.717 1.00 0.00 N ATOM 0 H LYS A 100 11.311 5.163 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 100 9.613 5.127 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.561 5.777 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.771 5.696 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.043 3.356 1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.822 3.436 -0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.276 2.252 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.032 3.763 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.480 4.810 3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.365 3.528 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.565 3.417 4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.145 2.006 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.270 3.090 3.149 1.00 0.00 H new ATOM 1534 N GLU A 101 10.793 8.153 0.006 1.00 0.00 N ATOM 1535 CA GLU A 101 10.611 9.583 0.213 1.00 0.00 C ATOM 1536 C GLU A 101 9.163 9.976 -0.087 1.00 0.00 C ATOM 1537 O GLU A 101 8.510 10.614 0.735 1.00 0.00 O ATOM 1538 CB GLU A 101 11.592 10.357 -0.677 1.00 0.00 C ATOM 1539 CG GLU A 101 13.047 10.183 -0.218 1.00 0.00 C ATOM 1540 CD GLU A 101 14.035 10.502 -1.337 1.00 0.00 C ATOM 1541 OE1 GLU A 101 13.797 11.511 -2.036 1.00 0.00 O ATOM 1542 OE2 GLU A 101 15.005 9.728 -1.484 1.00 0.00 O ATOM 0 H GLU A 101 11.516 7.933 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 101 10.817 9.833 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.494 10.015 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.333 11.416 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.240 10.835 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.201 9.159 0.122 1.00 0.00 H new ATOM 1549 N PHE A 102 8.661 9.588 -1.262 1.00 0.00 N ATOM 1550 CA PHE A 102 7.298 9.864 -1.693 1.00 0.00 C ATOM 1551 C PHE A 102 6.306 9.360 -0.643 1.00 0.00 C ATOM 1552 O PHE A 102 5.453 10.111 -0.168 1.00 0.00 O ATOM 1553 CB PHE A 102 7.055 9.207 -3.061 1.00 0.00 C ATOM 1554 CG PHE A 102 5.626 9.279 -3.567 1.00 0.00 C ATOM 1555 CD1 PHE A 102 5.187 10.396 -4.303 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.744 8.202 -3.346 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.887 10.424 -4.839 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.436 8.242 -3.859 1.00 0.00 C ATOM 1559 CZ PHE A 102 3.009 9.348 -4.614 1.00 0.00 C ATOM 0 H PHE A 102 9.204 9.064 -1.949 1.00 0.00 H new ATOM 0 HA PHE A 102 7.151 10.939 -1.798 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.708 9.680 -3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.350 8.159 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.851 11.234 -4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.074 7.343 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.563 11.272 -5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.758 7.422 -3.673 1.00 0.00 H new ATOM 0 HZ PHE A 102 2.009 9.372 -5.021 1.00 0.00 H new ATOM 1569 N LEU A 103 6.412 8.083 -0.276 1.00 0.00 N ATOM 1570 CA LEU A 103 5.518 7.482 0.701 1.00 0.00 C ATOM 1571 C LEU A 103 5.577 8.238 2.025 1.00 0.00 C ATOM 1572 O LEU A 103 4.535 8.617 2.553 1.00 0.00 O ATOM 1573 CB LEU A 103 5.849 5.999 0.869 1.00 0.00 C ATOM 1574 CG LEU A 103 5.532 5.204 -0.407 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.167 3.820 -0.289 1.00 0.00 C ATOM 1576 CD2 LEU A 103 4.023 5.093 -0.655 1.00 0.00 C ATOM 0 H LEU A 103 7.116 7.444 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 103 4.492 7.554 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.905 5.886 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.280 5.590 1.704 1.00 0.00 H new ATOM 0 HG LEU A 103 5.948 5.734 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.951 3.243 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.246 3.923 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.758 3.305 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.845 4.523 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.552 4.586 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.597 6.091 -0.762 1.00 0.00 H new ATOM 1588 N ASP A 104 6.781 8.481 2.546 1.00 0.00 N ATOM 1589 CA ASP A 104 6.963 9.225 3.785 1.00 0.00 C ATOM 1590 C ASP A 104 6.269 10.585 3.690 1.00 0.00 C ATOM 1591 O ASP A 104 5.469 10.938 4.554 1.00 0.00 O ATOM 1592 CB ASP A 104 8.457 9.397 4.082 1.00 0.00 C ATOM 1593 CG ASP A 104 8.668 10.229 5.342 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.520 9.646 6.437 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.967 11.433 5.184 1.00 0.00 O ATOM 0 H ASP A 104 7.653 8.167 2.119 1.00 0.00 H new ATOM 0 HA ASP A 104 6.512 8.666 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.923 8.419 4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.947 9.879 3.236 1.00 0.00 H new ATOM 1600 N ALA A 105 6.569 11.338 2.631 1.00 0.00 N ATOM 1601 CA ALA A 105 6.004 12.657 2.382 1.00 0.00 C ATOM 1602 C ALA A 105 4.476 12.620 2.308 1.00 0.00 C ATOM 1603 O ALA A 105 3.820 13.559 2.752 1.00 0.00 O ATOM 1604 CB ALA A 105 6.598 13.235 1.094 1.00 0.00 C ATOM 0 H ALA A 105 7.225 11.038 1.910 1.00 0.00 H new ATOM 0 HA ALA A 105 6.264 13.302 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.174 14.222 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.680 13.318 1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.363 12.577 0.258 1.00 0.00 H new ATOM 1610 N ASN A 106 3.902 11.549 1.750 1.00 0.00 N ATOM 1611 CA ASN A 106 2.454 11.445 1.608 1.00 0.00 C ATOM 1612 C ASN A 106 1.814 11.054 2.938 1.00 0.00 C ATOM 1613 O ASN A 106 0.859 11.693 3.368 1.00 0.00 O ATOM 1614 CB ASN A 106 2.080 10.403 0.546 1.00 0.00 C ATOM 1615 CG ASN A 106 2.051 10.982 -0.862 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.997 11.384 -1.345 1.00 0.00 O ATOM 1617 ND2 ASN A 106 3.193 11.028 -1.538 1.00 0.00 N ATOM 0 H ASN A 106 4.420 10.747 1.392 1.00 0.00 H new ATOM 0 HA ASN A 106 2.082 12.421 1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.795 9.581 0.582 1.00 0.00 H new ATOM 0 HB3 ASN A 106 1.102 9.985 0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 106 3.210 11.405 -2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.053 10.686 -1.110 1.00 0.00 H new ATOM 1624 N LEU A 107 2.308 9.995 3.584 1.00 0.00 N ATOM 1625 CA LEU A 107 1.751 9.521 4.844 1.00 0.00 C ATOM 1626 C LEU A 107 1.925 10.576 5.940 1.00 0.00 C ATOM 1627 O LEU A 107 1.009 10.808 6.726 1.00 0.00 O ATOM 1628 CB LEU A 107 2.390 8.186 5.246 1.00 0.00 C ATOM 1629 CG LEU A 107 2.063 7.037 4.275 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.048 5.894 4.538 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.628 6.526 4.443 1.00 0.00 C ATOM 0 H LEU A 107 3.100 9.448 3.247 1.00 0.00 H new ATOM 0 HA LEU A 107 0.682 9.352 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.472 8.310 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.051 7.915 6.246 1.00 0.00 H new ATOM 0 HG LEU A 107 2.153 7.410 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.835 5.067 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.066 6.246 4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.944 5.554 5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.445 5.716 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.489 6.159 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.072 7.339 4.252 1.00 0.00 H new ATOM 1643 N ALA A 108 3.099 11.213 5.996 1.00 0.00 N ATOM 1644 CA ALA A 108 3.434 12.254 6.961 1.00 0.00 C ATOM 1645 C ALA A 108 2.980 11.884 8.373 1.00 0.00 C ATOM 1646 O ALA A 108 3.803 11.694 9.267 1.00 0.00 O ATOM 1647 CB ALA A 108 2.834 13.589 6.510 1.00 0.00 C ATOM 0 H ALA A 108 3.862 11.009 5.350 1.00 0.00 H new ATOM 0 HA ALA A 108 4.519 12.353 6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.086 14.364 7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.238 13.858 5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.750 13.496 6.441 1.00 0.00 H new