USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1153 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: B 19 TYR OH : rot -175:sc= 1.44 USER MOD Set 1.2: B 40 LYS NZ :NH3+ 156:sc= -0.977 (180deg=-2.34!) USER MOD Single : A 3 SER OG : rot 180:sc= 0.171 USER MOD Single : A 7 GLN : amide:sc= 0.896 K(o=0.9,f=-0.022) USER MOD Single : A 17 HIS : no HE2:sc= 0.576 K(o=0.58,f=-3.3!) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0121) USER MOD Single : A 19 TYR OH : rot 15:sc=0.000952 USER MOD Single : A 20 SER OG : rot 175:sc= 1.31 USER MOD Single : A 28 THR OG1 : rot -29:sc= 0.0201 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00129) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc=-0.00536 (180deg=-0.135) USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= 1.07 (180deg=0.381) USER MOD Single : A 39 GLN : amide:sc=-0.00806 X(o=-0.0081,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.622) USER MOD Single : A 57 MET CE :methyl 172:sc= -0.617 (180deg=-0.668) USER MOD Single : A 69 ASN : amide:sc= -0.138 K(o=-0.14,f=-4.7!) USER MOD Single : A 71 GLN : amide:sc= -0.432 K(o=-0.43,f=-2.5!) USER MOD Single : A 73 TYR OH : rot 153:sc= 1.07 USER MOD Single : A 75 THR OG1 : rot 64:sc= 1.19 USER MOD Single : A 82 MET CE :methyl -175:sc= 0 (180deg=-0.0252) USER MOD Single : A 84 TYR OH : rot 28:sc= 1.15 USER MOD Single : A 85 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : B 3 SER OG : rot -160:sc= 0.0718 USER MOD Single : B 7 GLN : amide:sc= 0.898 K(o=0.9,f=-0.034) USER MOD Single : B 17 HIS : no HE2:sc= 0.416 K(o=0.42,f=-3.2!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 SER OG : rot -161:sc= 0.765 USER MOD Single : B 27 HIS : no HD1:sc=-0.00175 X(o=-0.0017,f=0) USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 67:sc= 0.913 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 172:sc= 0.469 (180deg=0.302) USER MOD Single : B 39 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : B 55 LYS NZ :NH3+ -140:sc= -0.0911 (180deg=-0.386) USER MOD Single : B 57 MET CE :methyl 159:sc= -0.0433 (180deg=-1.11) USER MOD Single : B 63 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.1) USER MOD Single : B 69 ASN : amide:sc= 0.0923 K(o=0.092,f=-7.4!) USER MOD Single : B 71 GLN : amide:sc= -0.171 K(o=-0.17,f=-4.2!) USER MOD Single : B 73 TYR OH : rot 152:sc= 1.16 USER MOD Single : B 75 THR OG1 : rot 75:sc= 1.17 USER MOD Single : B 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 84 TYR OH : rot 180:sc= -0.0221 USER MOD Single : B 85 ASN : amide:sc= 0.724 K(o=0.72,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -6.968 -6.698 -9.381 1.00 0.00 N ATOM 21 CA ALA A 2 -6.766 -5.544 -8.511 1.00 0.00 C ATOM 22 C ALA A 2 -7.727 -5.550 -7.319 1.00 0.00 C ATOM 23 O ALA A 2 -8.614 -4.705 -7.211 1.00 0.00 O ATOM 24 CB ALA A 2 -6.838 -4.241 -9.315 1.00 0.00 C ATOM 0 HA ALA A 2 -5.763 -5.612 -8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.685 -3.393 -8.648 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.064 -4.244 -10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.817 -4.159 -9.788 1.00 0.00 H new ATOM 30 N SER A 3 -7.525 -6.505 -6.408 1.00 0.00 N ATOM 31 CA SER A 3 -8.288 -6.651 -5.178 1.00 0.00 C ATOM 32 C SER A 3 -8.366 -5.324 -4.400 1.00 0.00 C ATOM 33 O SER A 3 -7.486 -4.480 -4.571 1.00 0.00 O ATOM 34 CB SER A 3 -7.583 -7.717 -4.334 1.00 0.00 C ATOM 35 OG SER A 3 -6.934 -8.671 -5.158 1.00 0.00 O ATOM 0 H SER A 3 -6.802 -7.217 -6.515 1.00 0.00 H new ATOM 0 HA SER A 3 -9.313 -6.943 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.854 -7.242 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.309 -8.218 -3.694 1.00 0.00 H new ATOM 0 HG SER A 3 -6.490 -9.340 -4.596 1.00 0.00 H new ATOM 41 N PRO A 4 -9.354 -5.137 -3.505 1.00 0.00 N ATOM 42 CA PRO A 4 -9.516 -3.912 -2.728 1.00 0.00 C ATOM 43 C PRO A 4 -8.203 -3.388 -2.137 1.00 0.00 C ATOM 44 O PRO A 4 -7.866 -2.219 -2.317 1.00 0.00 O ATOM 45 CB PRO A 4 -10.549 -4.240 -1.646 1.00 0.00 C ATOM 46 CG PRO A 4 -11.414 -5.300 -2.326 1.00 0.00 C ATOM 47 CD PRO A 4 -10.407 -6.084 -3.171 1.00 0.00 C ATOM 0 HA PRO A 4 -9.852 -3.097 -3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.080 -4.620 -0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.131 -3.363 -1.361 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.913 -5.940 -1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.192 -4.850 -2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.008 -6.934 -2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.876 -6.482 -4.071 1.00 0.00 H new ATOM 55 N LEU A 5 -7.440 -4.260 -1.466 1.00 0.00 N ATOM 56 CA LEU A 5 -6.124 -3.894 -0.960 1.00 0.00 C ATOM 57 C LEU A 5 -5.224 -3.373 -2.079 1.00 0.00 C ATOM 58 O LEU A 5 -4.592 -2.335 -1.918 1.00 0.00 O ATOM 59 CB LEU A 5 -5.433 -5.082 -0.271 1.00 0.00 C ATOM 60 CG LEU A 5 -5.491 -5.089 1.262 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.586 -6.225 1.758 1.00 0.00 C ATOM 62 CD2 LEU A 5 -4.995 -3.780 1.895 1.00 0.00 C ATOM 0 H LEU A 5 -7.716 -5.221 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.281 -3.102 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.885 -6.004 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.387 -5.097 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.534 -5.217 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.606 -6.257 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.944 -7.175 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.565 -6.051 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.063 -3.852 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.958 -3.607 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.612 -2.951 1.547 1.00 0.00 H new ATOM 74 N ASP A 6 -5.141 -4.094 -3.199 1.00 0.00 N ATOM 75 CA ASP A 6 -4.270 -3.716 -4.302 1.00 0.00 C ATOM 76 C ASP A 6 -4.661 -2.334 -4.820 1.00 0.00 C ATOM 77 O ASP A 6 -3.801 -1.478 -5.004 1.00 0.00 O ATOM 78 CB ASP A 6 -4.329 -4.752 -5.427 1.00 0.00 C ATOM 79 CG ASP A 6 -3.343 -4.394 -6.533 1.00 0.00 C ATOM 80 OD1 ASP A 6 -2.137 -4.643 -6.317 1.00 0.00 O ATOM 81 OD2 ASP A 6 -3.814 -3.877 -7.569 1.00 0.00 O ATOM 0 H ASP A 6 -5.673 -4.949 -3.362 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.243 -3.680 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.098 -5.741 -5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.339 -4.799 -5.833 1.00 0.00 H new ATOM 86 N GLN A 7 -5.959 -2.110 -5.032 1.00 0.00 N ATOM 87 CA GLN A 7 -6.467 -0.823 -5.478 1.00 0.00 C ATOM 88 C GLN A 7 -6.119 0.277 -4.469 1.00 0.00 C ATOM 89 O GLN A 7 -5.673 1.356 -4.859 1.00 0.00 O ATOM 90 CB GLN A 7 -7.980 -0.922 -5.722 1.00 0.00 C ATOM 91 CG GLN A 7 -8.641 0.410 -6.116 1.00 0.00 C ATOM 92 CD GLN A 7 -8.077 1.010 -7.403 1.00 0.00 C ATOM 93 OE1 GLN A 7 -8.644 0.834 -8.474 1.00 0.00 O ATOM 94 NE2 GLN A 7 -6.968 1.738 -7.315 1.00 0.00 N ATOM 0 H GLN A 7 -6.682 -2.817 -4.898 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.990 -0.552 -6.420 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.163 -1.653 -6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.459 -1.300 -4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.713 0.254 -6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.512 1.125 -5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.515 1.870 -6.411 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.571 2.165 -8.152 1.00 0.00 H new ATOM 103 N ALA A 8 -6.354 0.034 -3.180 1.00 0.00 N ATOM 104 CA ALA A 8 -6.141 1.029 -2.137 1.00 0.00 C ATOM 105 C ALA A 8 -4.653 1.367 -1.981 1.00 0.00 C ATOM 106 O ALA A 8 -4.268 2.536 -1.932 1.00 0.00 O ATOM 107 CB ALA A 8 -6.746 0.504 -0.840 1.00 0.00 C ATOM 0 H ALA A 8 -6.698 -0.861 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.635 1.962 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.596 1.236 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.813 0.333 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.261 -0.433 -0.566 1.00 0.00 H new ATOM 113 N ILE A 9 -3.802 0.341 -1.942 1.00 0.00 N ATOM 114 CA ILE A 9 -2.356 0.505 -2.002 1.00 0.00 C ATOM 115 C ILE A 9 -2.019 1.324 -3.250 1.00 0.00 C ATOM 116 O ILE A 9 -1.325 2.332 -3.157 1.00 0.00 O ATOM 117 CB ILE A 9 -1.669 -0.877 -1.974 1.00 0.00 C ATOM 118 CG1 ILE A 9 -1.833 -1.516 -0.580 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.178 -0.761 -2.323 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.495 -3.011 -0.574 1.00 0.00 C ATOM 0 H ILE A 9 -4.102 -0.631 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.980 1.047 -1.134 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.146 -1.510 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.189 -0.999 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.859 -1.378 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.280 -1.750 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.070 -0.339 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.316 -0.112 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.627 -3.410 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.157 -3.536 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.460 -3.151 -0.887 1.00 0.00 H new ATOM 132 N GLY A 10 -2.551 0.917 -4.405 1.00 0.00 N ATOM 133 CA GLY A 10 -2.439 1.626 -5.670 1.00 0.00 C ATOM 134 C GLY A 10 -2.753 3.114 -5.519 1.00 0.00 C ATOM 135 O GLY A 10 -1.988 3.953 -5.987 1.00 0.00 O ATOM 0 H GLY A 10 -3.089 0.054 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.430 1.506 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.121 1.183 -6.396 1.00 0.00 H new ATOM 139 N LEU A 11 -3.859 3.450 -4.854 1.00 0.00 N ATOM 140 CA LEU A 11 -4.208 4.828 -4.535 1.00 0.00 C ATOM 141 C LEU A 11 -3.071 5.506 -3.762 1.00 0.00 C ATOM 142 O LEU A 11 -2.564 6.531 -4.209 1.00 0.00 O ATOM 143 CB LEU A 11 -5.552 4.887 -3.785 1.00 0.00 C ATOM 144 CG LEU A 11 -6.744 5.040 -4.744 1.00 0.00 C ATOM 145 CD1 LEU A 11 -8.035 4.487 -4.132 1.00 0.00 C ATOM 146 CD2 LEU A 11 -6.967 6.523 -5.050 1.00 0.00 C ATOM 0 H LEU A 11 -4.540 2.767 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.338 5.386 -5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.677 3.980 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.540 5.723 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.510 4.481 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.855 4.613 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.907 3.428 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.262 5.027 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.812 6.631 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.176 7.058 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.072 6.937 -5.515 1.00 0.00 H new ATOM 158 N LEU A 12 -2.645 4.956 -2.619 1.00 0.00 N ATOM 159 CA LEU A 12 -1.589 5.580 -1.814 1.00 0.00 C ATOM 160 C LEU A 12 -0.289 5.760 -2.619 1.00 0.00 C ATOM 161 O LEU A 12 0.346 6.817 -2.543 1.00 0.00 O ATOM 162 CB LEU A 12 -1.352 4.800 -0.510 1.00 0.00 C ATOM 163 CG LEU A 12 -2.260 5.273 0.643 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.746 5.123 0.323 1.00 0.00 C ATOM 165 CD2 LEU A 12 -1.964 4.470 1.912 1.00 0.00 C ATOM 0 H LEU A 12 -3.012 4.086 -2.233 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.930 6.578 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.525 3.739 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.309 4.907 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.043 6.331 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.337 5.471 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.990 5.716 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.972 4.075 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.611 4.813 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.148 3.412 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.922 4.612 2.198 1.00 0.00 H new ATOM 177 N ILE A 13 0.102 4.739 -3.386 1.00 0.00 N ATOM 178 CA ILE A 13 1.229 4.799 -4.317 1.00 0.00 C ATOM 179 C ILE A 13 1.047 5.960 -5.300 1.00 0.00 C ATOM 180 O ILE A 13 1.919 6.818 -5.418 1.00 0.00 O ATOM 181 CB ILE A 13 1.400 3.450 -5.050 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.860 2.369 -4.055 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.403 3.558 -6.213 1.00 0.00 C ATOM 184 CD1 ILE A 13 1.967 0.987 -4.707 1.00 0.00 C ATOM 0 H ILE A 13 -0.365 3.832 -3.376 1.00 0.00 H new ATOM 0 HA ILE A 13 2.144 4.983 -3.753 1.00 0.00 H new ATOM 0 HB ILE A 13 0.434 3.172 -5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.828 2.649 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.158 2.322 -3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.496 2.589 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.048 4.297 -6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.375 3.865 -5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.295 0.259 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.993 0.693 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.689 1.024 -5.522 1.00 0.00 H new ATOM 196 N GLY A 14 -0.073 5.977 -6.025 1.00 0.00 N ATOM 197 CA GLY A 14 -0.365 6.985 -7.032 1.00 0.00 C ATOM 198 C GLY A 14 -0.287 8.381 -6.429 1.00 0.00 C ATOM 199 O GLY A 14 0.385 9.260 -6.965 1.00 0.00 O ATOM 0 H GLY A 14 -0.810 5.279 -5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.342 6.899 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.359 6.816 -7.446 1.00 0.00 H new ATOM 203 N ILE A 15 -0.956 8.572 -5.289 1.00 0.00 N ATOM 204 CA ILE A 15 -0.925 9.812 -4.536 1.00 0.00 C ATOM 205 C ILE A 15 0.521 10.209 -4.234 1.00 0.00 C ATOM 206 O ILE A 15 0.892 11.356 -4.459 1.00 0.00 O ATOM 207 CB ILE A 15 -1.759 9.668 -3.252 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.264 9.523 -3.548 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.494 10.852 -2.317 1.00 0.00 C ATOM 210 CD1 ILE A 15 -3.975 10.844 -3.845 1.00 0.00 C ATOM 0 H ILE A 15 -1.541 7.853 -4.863 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.368 10.611 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.448 8.749 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.393 8.855 -4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.747 9.048 -2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.089 10.740 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.436 10.879 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.768 11.780 -2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.030 10.653 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.881 11.509 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.522 11.313 -4.718 1.00 0.00 H new ATOM 222 N PHE A 16 1.344 9.283 -3.731 1.00 0.00 N ATOM 223 CA PHE A 16 2.753 9.579 -3.504 1.00 0.00 C ATOM 224 C PHE A 16 3.385 10.082 -4.802 1.00 0.00 C ATOM 225 O PHE A 16 3.839 11.223 -4.887 1.00 0.00 O ATOM 226 CB PHE A 16 3.483 8.339 -2.972 1.00 0.00 C ATOM 227 CG PHE A 16 4.925 8.578 -2.571 1.00 0.00 C ATOM 228 CD1 PHE A 16 5.209 9.296 -1.395 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.980 8.021 -3.321 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.530 9.394 -0.930 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.306 8.148 -2.871 1.00 0.00 C ATOM 232 CZ PHE A 16 7.578 8.824 -1.670 1.00 0.00 C ATOM 0 H PHE A 16 1.060 8.337 -3.478 1.00 0.00 H new ATOM 0 HA PHE A 16 2.842 10.361 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.939 7.956 -2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.456 7.562 -3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.409 9.773 -0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.770 7.497 -4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.740 9.908 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.115 7.726 -3.449 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.595 8.905 -1.315 1.00 0.00 H new ATOM 242 N HIS A 17 3.374 9.231 -5.831 1.00 0.00 N ATOM 243 CA HIS A 17 4.036 9.493 -7.098 1.00 0.00 C ATOM 244 C HIS A 17 3.605 10.837 -7.693 1.00 0.00 C ATOM 245 O HIS A 17 4.446 11.543 -8.248 1.00 0.00 O ATOM 246 CB HIS A 17 3.792 8.331 -8.069 1.00 0.00 C ATOM 247 CG HIS A 17 4.702 8.342 -9.276 1.00 0.00 C ATOM 248 ND1 HIS A 17 5.344 9.437 -9.814 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.072 7.248 -10.014 1.00 0.00 C ATOM 250 CE1 HIS A 17 6.081 9.008 -10.852 1.00 0.00 C ATOM 251 NE2 HIS A 17 5.948 7.681 -11.013 1.00 0.00 N ATOM 0 H HIS A 17 2.897 8.330 -5.801 1.00 0.00 H new ATOM 0 HA HIS A 17 5.109 9.565 -6.919 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.924 7.390 -7.535 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.756 8.363 -8.407 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.272 10.399 -9.484 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.745 6.232 -9.852 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.696 9.643 -11.472 1.00 0.00 H new ATOM 259 N LYS A 18 2.321 11.191 -7.585 1.00 0.00 N ATOM 260 CA LYS A 18 1.785 12.454 -8.070 1.00 0.00 C ATOM 261 C LYS A 18 2.609 13.650 -7.572 1.00 0.00 C ATOM 262 O LYS A 18 2.781 14.616 -8.313 1.00 0.00 O ATOM 263 CB LYS A 18 0.306 12.551 -7.662 1.00 0.00 C ATOM 264 CG LYS A 18 -0.371 13.856 -8.101 1.00 0.00 C ATOM 265 CD LYS A 18 -1.865 13.799 -7.750 1.00 0.00 C ATOM 266 CE LYS A 18 -2.542 15.167 -7.895 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.458 15.679 -9.274 1.00 0.00 N ATOM 0 H LYS A 18 1.618 10.594 -7.150 1.00 0.00 H new ATOM 0 HA LYS A 18 1.852 12.484 -9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.236 11.709 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.230 12.460 -6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.098 14.706 -7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.243 14.002 -9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.362 13.078 -8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.984 13.442 -6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.588 15.087 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.073 15.878 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.999 16.564 -9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.463 15.860 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.852 14.975 -9.930 1.00 0.00 H new ATOM 281 N TYR A 19 3.111 13.594 -6.335 1.00 0.00 N ATOM 282 CA TYR A 19 3.882 14.676 -5.734 1.00 0.00 C ATOM 283 C TYR A 19 5.376 14.351 -5.794 1.00 0.00 C ATOM 284 O TYR A 19 6.158 15.134 -6.332 1.00 0.00 O ATOM 285 CB TYR A 19 3.362 14.955 -4.318 1.00 0.00 C ATOM 286 CG TYR A 19 1.994 15.619 -4.320 1.00 0.00 C ATOM 287 CD1 TYR A 19 0.848 14.838 -4.553 1.00 0.00 C ATOM 288 CD2 TYR A 19 1.865 17.018 -4.218 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.412 15.439 -4.678 1.00 0.00 C ATOM 290 CE2 TYR A 19 0.607 17.626 -4.379 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.528 16.834 -4.619 1.00 0.00 C ATOM 292 OH TYR A 19 -1.735 17.413 -4.861 1.00 0.00 O ATOM 0 H TYR A 19 2.990 12.788 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 19 3.752 15.600 -6.298 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.307 14.018 -3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.072 15.594 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.940 13.765 -4.636 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.735 17.626 -4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.291 14.828 -4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.514 18.700 -4.318 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.439 16.732 -4.820 1.00 0.00 H new ATOM 302 N SER A 20 5.794 13.184 -5.297 1.00 0.00 N ATOM 303 CA SER A 20 7.195 12.782 -5.307 1.00 0.00 C ATOM 304 C SER A 20 7.793 12.833 -6.713 1.00 0.00 C ATOM 305 O SER A 20 8.962 13.168 -6.881 1.00 0.00 O ATOM 306 CB SER A 20 7.332 11.391 -4.683 1.00 0.00 C ATOM 307 OG SER A 20 6.417 11.276 -3.614 1.00 0.00 O ATOM 0 H SER A 20 5.169 12.495 -4.878 1.00 0.00 H new ATOM 0 HA SER A 20 7.765 13.493 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.137 10.622 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.350 11.237 -4.326 1.00 0.00 H new ATOM 0 HG SER A 20 6.437 10.361 -3.263 1.00 0.00 H new ATOM 415 N THR A 28 11.411 10.043 -2.643 1.00 0.00 N ATOM 416 CA THR A 28 11.207 10.800 -1.420 1.00 0.00 C ATOM 417 C THR A 28 10.419 12.072 -1.736 1.00 0.00 C ATOM 418 O THR A 28 10.278 12.435 -2.905 1.00 0.00 O ATOM 419 CB THR A 28 12.571 11.149 -0.797 1.00 0.00 C ATOM 420 OG1 THR A 28 13.285 12.040 -1.632 1.00 0.00 O ATOM 421 CG2 THR A 28 13.451 9.921 -0.545 1.00 0.00 C ATOM 0 HA THR A 28 10.640 10.204 -0.705 1.00 0.00 H new ATOM 0 HB THR A 28 12.347 11.611 0.165 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.025 11.893 -2.565 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.397 10.236 -0.105 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.941 9.242 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.642 9.410 -1.489 1.00 0.00 H new ATOM 429 N LEU A 29 9.932 12.767 -0.705 1.00 0.00 N ATOM 430 CA LEU A 29 9.361 14.097 -0.855 1.00 0.00 C ATOM 431 C LEU A 29 9.454 14.896 0.446 1.00 0.00 C ATOM 432 O LEU A 29 9.657 14.324 1.514 1.00 0.00 O ATOM 433 CB LEU A 29 7.940 14.045 -1.439 1.00 0.00 C ATOM 434 CG LEU A 29 6.991 12.971 -0.898 1.00 0.00 C ATOM 435 CD1 LEU A 29 6.960 12.882 0.624 1.00 0.00 C ATOM 436 CD2 LEU A 29 5.577 13.275 -1.400 1.00 0.00 C ATOM 0 H LEU A 29 9.925 12.419 0.254 1.00 0.00 H new ATOM 0 HA LEU A 29 9.961 14.639 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.474 15.017 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.024 13.907 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 29 7.361 12.012 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.265 12.099 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.957 12.647 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.635 13.837 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.887 12.519 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.268 14.258 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.568 13.265 -2.490 1.00 0.00 H new ATOM 448 N SER A 30 9.376 16.226 0.348 1.00 0.00 N ATOM 449 CA SER A 30 9.658 17.138 1.450 1.00 0.00 C ATOM 450 C SER A 30 8.391 17.716 2.085 1.00 0.00 C ATOM 451 O SER A 30 7.302 17.661 1.512 1.00 0.00 O ATOM 452 CB SER A 30 10.548 18.271 0.922 1.00 0.00 C ATOM 453 OG SER A 30 9.887 18.978 -0.112 1.00 0.00 O ATOM 0 H SER A 30 9.111 16.702 -0.514 1.00 0.00 H new ATOM 0 HA SER A 30 10.164 16.576 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.799 18.953 1.734 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.486 17.861 0.548 1.00 0.00 H new ATOM 0 HG SER A 30 10.466 19.698 -0.438 1.00 0.00 H new ATOM 459 N LYS A 31 8.572 18.337 3.255 1.00 0.00 N ATOM 460 CA LYS A 31 7.598 19.133 3.988 1.00 0.00 C ATOM 461 C LYS A 31 6.621 19.900 3.093 1.00 0.00 C ATOM 462 O LYS A 31 5.412 19.848 3.305 1.00 0.00 O ATOM 463 CB LYS A 31 8.310 20.067 4.986 1.00 0.00 C ATOM 464 CG LYS A 31 9.603 20.722 4.470 1.00 0.00 C ATOM 465 CD LYS A 31 10.177 21.655 5.546 1.00 0.00 C ATOM 466 CE LYS A 31 11.421 22.404 5.049 1.00 0.00 C ATOM 467 NZ LYS A 31 12.573 21.507 4.842 1.00 0.00 N ATOM 0 H LYS A 31 9.466 18.290 3.743 1.00 0.00 H new ATOM 0 HA LYS A 31 6.978 18.428 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.616 20.855 5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.545 19.498 5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.333 19.955 4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.398 21.284 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.416 22.375 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.433 21.074 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.186 22.911 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.690 23.175 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.392 22.062 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.806 21.029 5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.335 20.796 4.121 1.00 0.00 H new ATOM 481 N LYS A 32 7.132 20.610 2.084 1.00 0.00 N ATOM 482 CA LYS A 32 6.306 21.380 1.170 1.00 0.00 C ATOM 483 C LYS A 32 5.324 20.453 0.448 1.00 0.00 C ATOM 484 O LYS A 32 4.114 20.682 0.465 1.00 0.00 O ATOM 485 CB LYS A 32 7.238 22.151 0.223 1.00 0.00 C ATOM 486 CG LYS A 32 6.492 23.018 -0.801 1.00 0.00 C ATOM 487 CD LYS A 32 6.415 22.368 -2.190 1.00 0.00 C ATOM 488 CE LYS A 32 7.764 22.242 -2.916 1.00 0.00 C ATOM 489 NZ LYS A 32 8.477 23.528 -3.010 1.00 0.00 N ATOM 0 H LYS A 32 8.131 20.663 1.883 1.00 0.00 H new ATOM 0 HA LYS A 32 5.691 22.109 1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.897 22.787 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.872 21.441 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.482 23.211 -0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.991 23.984 -0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.979 21.374 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.736 22.951 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.390 21.521 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.598 21.848 -3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.291 23.427 -3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.833 24.255 -3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.810 23.810 -2.066 1.00 0.00 H new ATOM 503 N GLU A 33 5.842 19.382 -0.157 1.00 0.00 N ATOM 504 CA GLU A 33 5.022 18.398 -0.844 1.00 0.00 C ATOM 505 C GLU A 33 4.041 17.738 0.125 1.00 0.00 C ATOM 506 O GLU A 33 2.926 17.427 -0.270 1.00 0.00 O ATOM 507 CB GLU A 33 5.897 17.328 -1.496 1.00 0.00 C ATOM 508 CG GLU A 33 6.847 17.868 -2.573 1.00 0.00 C ATOM 509 CD GLU A 33 6.125 18.447 -3.787 1.00 0.00 C ATOM 510 OE1 GLU A 33 5.338 17.695 -4.399 1.00 0.00 O ATOM 511 OE2 GLU A 33 6.394 19.626 -4.101 1.00 0.00 O ATOM 0 H GLU A 33 6.841 19.178 -0.181 1.00 0.00 H new ATOM 0 HA GLU A 33 4.458 18.917 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.485 16.834 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.254 16.569 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.480 18.640 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.506 17.064 -2.901 1.00 0.00 H new ATOM 518 N LEU A 34 4.442 17.500 1.377 1.00 0.00 N ATOM 519 CA LEU A 34 3.573 16.884 2.376 1.00 0.00 C ATOM 520 C LEU A 34 2.415 17.810 2.767 1.00 0.00 C ATOM 521 O LEU A 34 1.255 17.391 2.769 1.00 0.00 O ATOM 522 CB LEU A 34 4.389 16.471 3.602 1.00 0.00 C ATOM 523 CG LEU A 34 5.325 15.289 3.306 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.392 15.212 4.396 1.00 0.00 C ATOM 525 CD2 LEU A 34 4.566 13.955 3.257 1.00 0.00 C ATOM 0 H LEU A 34 5.374 17.729 1.723 1.00 0.00 H new ATOM 0 HA LEU A 34 3.131 15.990 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.978 17.321 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.712 16.202 4.413 1.00 0.00 H new ATOM 0 HG LEU A 34 5.777 15.457 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.060 14.375 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.965 16.139 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.913 15.067 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.265 13.146 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.084 13.775 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.810 13.995 2.473 1.00 0.00 H new ATOM 537 N LYS A 35 2.712 19.070 3.102 1.00 0.00 N ATOM 538 CA LYS A 35 1.684 20.052 3.427 1.00 0.00 C ATOM 539 C LYS A 35 0.752 20.250 2.228 1.00 0.00 C ATOM 540 O LYS A 35 -0.465 20.335 2.404 1.00 0.00 O ATOM 541 CB LYS A 35 2.306 21.361 3.926 1.00 0.00 C ATOM 542 CG LYS A 35 2.835 21.157 5.355 1.00 0.00 C ATOM 543 CD LYS A 35 3.680 22.335 5.855 1.00 0.00 C ATOM 544 CE LYS A 35 2.889 23.642 5.988 1.00 0.00 C ATOM 545 NZ LYS A 35 1.707 23.481 6.854 1.00 0.00 N ATOM 0 H LYS A 35 3.665 19.431 3.154 1.00 0.00 H new ATOM 0 HA LYS A 35 1.076 19.677 4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.117 21.667 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.564 22.159 3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.993 21.009 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.434 20.247 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.109 22.079 6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.513 22.492 5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.536 24.418 6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.573 23.978 5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.468 24.395 7.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.903 23.147 6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.915 22.787 7.600 1.00 0.00 H new ATOM 559 N GLU A 36 1.302 20.274 1.009 1.00 0.00 N ATOM 560 CA GLU A 36 0.465 20.220 -0.180 1.00 0.00 C ATOM 561 C GLU A 36 -0.402 18.959 -0.131 1.00 0.00 C ATOM 562 O GLU A 36 -1.613 19.082 -0.055 1.00 0.00 O ATOM 563 CB GLU A 36 1.299 20.291 -1.463 1.00 0.00 C ATOM 564 CG GLU A 36 1.872 21.698 -1.678 1.00 0.00 C ATOM 565 CD GLU A 36 2.839 21.768 -2.858 1.00 0.00 C ATOM 566 OE1 GLU A 36 3.249 20.691 -3.346 1.00 0.00 O ATOM 567 OE2 GLU A 36 3.155 22.910 -3.254 1.00 0.00 O ATOM 0 H GLU A 36 2.304 20.329 0.828 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.188 21.093 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.113 19.568 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.681 20.013 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.053 22.398 -1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.387 22.018 -0.772 1.00 0.00 H new ATOM 574 N LEU A 37 0.190 17.763 -0.164 1.00 0.00 N ATOM 575 CA LEU A 37 -0.506 16.477 -0.150 1.00 0.00 C ATOM 576 C LEU A 37 -1.704 16.479 0.792 1.00 0.00 C ATOM 577 O LEU A 37 -2.821 16.217 0.351 1.00 0.00 O ATOM 578 CB LEU A 37 0.446 15.342 0.260 1.00 0.00 C ATOM 579 CG LEU A 37 1.096 14.644 -0.936 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.319 13.857 -0.463 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.104 13.669 -1.577 1.00 0.00 C ATOM 0 H LEU A 37 1.204 17.661 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.865 16.312 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.226 15.745 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.105 14.607 0.847 1.00 0.00 H new ATOM 0 HG LEU A 37 1.392 15.398 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.783 13.359 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.036 14.539 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.011 13.111 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.576 13.177 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.195 12.920 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.776 14.216 -1.916 1.00 0.00 H new ATOM 593 N ILE A 38 -1.483 16.752 2.081 1.00 0.00 N ATOM 594 CA ILE A 38 -2.579 16.721 3.040 1.00 0.00 C ATOM 595 C ILE A 38 -3.665 17.721 2.607 1.00 0.00 C ATOM 596 O ILE A 38 -4.815 17.334 2.434 1.00 0.00 O ATOM 597 CB ILE A 38 -2.063 16.851 4.491 1.00 0.00 C ATOM 598 CG1 ILE A 38 -3.127 16.446 5.526 1.00 0.00 C ATOM 599 CG2 ILE A 38 -1.514 18.245 4.794 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.571 16.403 6.953 1.00 0.00 C ATOM 0 H ILE A 38 -0.573 16.992 2.474 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.069 15.747 3.041 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.234 16.148 4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.957 17.151 5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.528 15.466 5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.165 18.282 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.684 18.463 4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.301 18.985 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.363 16.112 7.643 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.759 15.678 7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.195 17.389 7.227 1.00 0.00 H new ATOM 612 N GLN A 39 -3.314 18.980 2.331 1.00 0.00 N ATOM 613 CA GLN A 39 -4.290 19.986 1.920 1.00 0.00 C ATOM 614 C GLN A 39 -5.040 19.596 0.633 1.00 0.00 C ATOM 615 O GLN A 39 -6.239 19.833 0.512 1.00 0.00 O ATOM 616 CB GLN A 39 -3.565 21.331 1.769 1.00 0.00 C ATOM 617 CG GLN A 39 -4.530 22.480 1.445 1.00 0.00 C ATOM 618 CD GLN A 39 -3.830 23.835 1.474 1.00 0.00 C ATOM 619 OE1 GLN A 39 -4.272 24.757 2.150 1.00 0.00 O ATOM 620 NE2 GLN A 39 -2.728 23.975 0.742 1.00 0.00 N ATOM 0 H GLN A 39 -2.356 19.325 2.386 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.059 20.064 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.030 21.558 2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.819 21.252 0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.969 22.319 0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.350 22.479 2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.381 23.192 0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.230 24.865 0.735 1.00 0.00 H new ATOM 629 N LYS A 40 -4.322 19.053 -0.350 1.00 0.00 N ATOM 630 CA LYS A 40 -4.805 18.793 -1.699 1.00 0.00 C ATOM 631 C LYS A 40 -5.676 17.539 -1.728 1.00 0.00 C ATOM 632 O LYS A 40 -6.754 17.534 -2.318 1.00 0.00 O ATOM 633 CB LYS A 40 -3.608 18.577 -2.644 1.00 0.00 C ATOM 634 CG LYS A 40 -2.583 19.721 -2.737 1.00 0.00 C ATOM 635 CD LYS A 40 -2.722 20.599 -3.984 1.00 0.00 C ATOM 636 CE LYS A 40 -3.750 21.697 -3.714 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.944 22.561 -4.891 1.00 0.00 N ATOM 0 H LYS A 40 -3.350 18.772 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.395 19.651 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.083 17.676 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.995 18.385 -3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.679 20.351 -1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.580 19.295 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.759 21.041 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.033 19.995 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.701 21.244 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.423 22.302 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.648 23.294 -4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.041 23.012 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.280 21.988 -5.691 1.00 0.00 H new ATOM 651 N GLU A 41 -5.160 16.460 -1.140 1.00 0.00 N ATOM 652 CA GLU A 41 -5.702 15.112 -1.248 1.00 0.00 C ATOM 653 C GLU A 41 -6.480 14.686 0.000 1.00 0.00 C ATOM 654 O GLU A 41 -7.340 13.811 -0.105 1.00 0.00 O ATOM 655 CB GLU A 41 -4.566 14.131 -1.559 1.00 0.00 C ATOM 656 CG GLU A 41 -3.789 14.486 -2.838 1.00 0.00 C ATOM 657 CD GLU A 41 -4.671 14.547 -4.083 1.00 0.00 C ATOM 658 OE1 GLU A 41 -5.514 13.635 -4.229 1.00 0.00 O ATOM 659 OE2 GLU A 41 -4.479 15.498 -4.871 1.00 0.00 O ATOM 0 H GLU A 41 -4.325 16.505 -0.556 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.423 15.104 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.875 14.108 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.979 13.127 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.298 15.450 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.003 13.747 -2.994 1.00 0.00 H new ATOM 666 N LEU A 42 -6.201 15.280 1.165 1.00 0.00 N ATOM 667 CA LEU A 42 -7.010 15.141 2.372 1.00 0.00 C ATOM 668 C LEU A 42 -7.681 16.488 2.629 1.00 0.00 C ATOM 669 O LEU A 42 -7.477 17.108 3.669 1.00 0.00 O ATOM 670 CB LEU A 42 -6.165 14.667 3.567 1.00 0.00 C ATOM 671 CG LEU A 42 -5.768 13.189 3.472 1.00 0.00 C ATOM 672 CD1 LEU A 42 -4.704 12.865 4.520 1.00 0.00 C ATOM 673 CD2 LEU A 42 -6.975 12.283 3.722 1.00 0.00 C ATOM 0 H LEU A 42 -5.388 15.883 1.294 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.772 14.373 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.263 15.276 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.725 14.828 4.488 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.381 13.013 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.428 11.813 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.824 13.484 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.100 13.066 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.668 11.240 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.374 12.475 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.744 12.488 2.977 1.00 0.00 H new ATOM 794 N ASP A 50 -7.683 16.743 16.080 1.00 0.00 N ATOM 795 CA ASP A 50 -6.371 17.354 16.290 1.00 0.00 C ATOM 796 C ASP A 50 -5.283 16.802 15.379 1.00 0.00 C ATOM 797 O ASP A 50 -4.528 17.581 14.807 1.00 0.00 O ATOM 798 CB ASP A 50 -5.926 17.181 17.747 1.00 0.00 C ATOM 799 CG ASP A 50 -6.907 17.793 18.742 1.00 0.00 C ATOM 800 OD1 ASP A 50 -8.057 17.299 18.777 1.00 0.00 O ATOM 801 OD2 ASP A 50 -6.497 18.745 19.439 1.00 0.00 O ATOM 0 HA ASP A 50 -6.498 18.408 16.044 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.812 16.119 17.963 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.947 17.641 17.880 1.00 0.00 H new ATOM 806 N ALA A 51 -5.201 15.476 15.257 1.00 0.00 N ATOM 807 CA ALA A 51 -4.277 14.752 14.394 1.00 0.00 C ATOM 808 C ALA A 51 -3.882 15.533 13.136 1.00 0.00 C ATOM 809 O ALA A 51 -2.700 15.731 12.864 1.00 0.00 O ATOM 810 CB ALA A 51 -4.957 13.453 13.975 1.00 0.00 C ATOM 0 H ALA A 51 -5.809 14.850 15.785 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.359 14.579 14.956 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.290 12.886 13.326 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.190 12.862 14.861 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.878 13.681 13.438 1.00 0.00 H new ATOM 816 N GLU A 52 -4.883 15.967 12.368 1.00 0.00 N ATOM 817 CA GLU A 52 -4.676 16.637 11.093 1.00 0.00 C ATOM 818 C GLU A 52 -4.020 18.007 11.292 1.00 0.00 C ATOM 819 O GLU A 52 -3.108 18.397 10.559 1.00 0.00 O ATOM 820 CB GLU A 52 -6.039 16.744 10.396 1.00 0.00 C ATOM 821 CG GLU A 52 -5.947 17.285 8.962 1.00 0.00 C ATOM 822 CD GLU A 52 -7.325 17.543 8.357 1.00 0.00 C ATOM 823 OE1 GLU A 52 -8.316 17.057 8.946 1.00 0.00 O ATOM 824 OE2 GLU A 52 -7.363 18.247 7.326 1.00 0.00 O ATOM 0 H GLU A 52 -5.866 15.860 12.620 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.992 16.065 10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.507 15.760 10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.689 17.395 10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.372 18.211 8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.406 16.572 8.340 1.00 0.00 H new ATOM 831 N ILE A 53 -4.504 18.737 12.299 1.00 0.00 N ATOM 832 CA ILE A 53 -4.046 20.073 12.630 1.00 0.00 C ATOM 833 C ILE A 53 -2.571 19.947 13.006 1.00 0.00 C ATOM 834 O ILE A 53 -1.719 20.656 12.482 1.00 0.00 O ATOM 835 CB ILE A 53 -4.866 20.666 13.798 1.00 0.00 C ATOM 836 CG1 ILE A 53 -6.373 20.844 13.530 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.302 22.046 14.170 1.00 0.00 C ATOM 838 CD1 ILE A 53 -7.136 19.590 13.088 1.00 0.00 C ATOM 0 H ILE A 53 -5.243 18.401 12.917 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.176 20.750 11.785 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.772 19.932 14.599 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.839 21.226 14.438 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.496 21.608 12.762 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.880 22.465 14.994 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.260 21.944 14.473 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.366 22.710 13.308 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.185 19.839 12.930 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.709 19.213 12.159 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.057 18.825 13.860 1.00 0.00 H new ATOM 850 N VAL A 54 -2.277 19.010 13.910 1.00 0.00 N ATOM 851 CA VAL A 54 -0.923 18.702 14.327 1.00 0.00 C ATOM 852 C VAL A 54 -0.080 18.393 13.095 1.00 0.00 C ATOM 853 O VAL A 54 0.922 19.066 12.884 1.00 0.00 O ATOM 854 CB VAL A 54 -0.929 17.568 15.366 1.00 0.00 C ATOM 855 CG1 VAL A 54 0.493 17.093 15.698 1.00 0.00 C ATOM 856 CG2 VAL A 54 -1.588 18.079 16.652 1.00 0.00 C ATOM 0 H VAL A 54 -2.986 18.442 14.373 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.469 19.560 14.823 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.481 16.727 14.947 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.446 16.292 16.435 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.974 16.725 14.792 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.069 17.925 16.103 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.598 17.283 17.397 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.024 18.929 17.037 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.611 18.389 16.438 1.00 0.00 H new ATOM 866 N LYS A 55 -0.486 17.419 12.272 1.00 0.00 N ATOM 867 CA LYS A 55 0.244 17.032 11.070 1.00 0.00 C ATOM 868 C LYS A 55 0.698 18.240 10.253 1.00 0.00 C ATOM 869 O LYS A 55 1.882 18.343 9.929 1.00 0.00 O ATOM 870 CB LYS A 55 -0.594 16.077 10.204 1.00 0.00 C ATOM 871 CG LYS A 55 -0.056 14.647 10.269 1.00 0.00 C ATOM 872 CD LYS A 55 -0.217 14.020 11.660 1.00 0.00 C ATOM 873 CE LYS A 55 0.708 12.806 11.783 1.00 0.00 C ATOM 874 NZ LYS A 55 0.548 12.141 13.086 1.00 0.00 N ATOM 0 H LYS A 55 -1.336 16.877 12.427 1.00 0.00 H new ATOM 0 HA LYS A 55 1.142 16.510 11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.631 16.093 10.541 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.589 16.422 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.577 14.033 9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.999 14.646 9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.022 14.753 12.431 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.253 13.719 11.817 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.491 12.099 10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.744 13.121 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.379 11.545 13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.458 12.859 13.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.307 11.549 13.071 1.00 0.00 H new ATOM 888 N LEU A 56 -0.232 19.144 9.926 1.00 0.00 N ATOM 889 CA LEU A 56 0.075 20.332 9.130 1.00 0.00 C ATOM 890 C LEU A 56 1.289 21.091 9.683 1.00 0.00 C ATOM 891 O LEU A 56 2.128 21.552 8.912 1.00 0.00 O ATOM 892 CB LEU A 56 -1.157 21.247 9.054 1.00 0.00 C ATOM 893 CG LEU A 56 -2.163 20.811 7.979 1.00 0.00 C ATOM 894 CD1 LEU A 56 -3.544 21.400 8.291 1.00 0.00 C ATOM 895 CD2 LEU A 56 -1.717 21.291 6.592 1.00 0.00 C ATOM 0 H LEU A 56 -1.211 19.072 10.204 1.00 0.00 H new ATOM 0 HA LEU A 56 0.335 20.005 8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.653 21.260 10.024 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.833 22.267 8.848 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.213 19.722 7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.254 21.088 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.880 21.044 9.265 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.481 22.488 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.444 20.971 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.647 22.379 6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.742 20.864 6.355 1.00 0.00 H new ATOM 907 N MET A 57 1.371 21.236 11.007 1.00 0.00 N ATOM 908 CA MET A 57 2.469 21.914 11.678 1.00 0.00 C ATOM 909 C MET A 57 3.658 20.957 11.816 1.00 0.00 C ATOM 910 O MET A 57 4.703 21.164 11.201 1.00 0.00 O ATOM 911 CB MET A 57 1.970 22.464 13.028 1.00 0.00 C ATOM 912 CG MET A 57 1.620 23.960 12.956 1.00 0.00 C ATOM 913 SD MET A 57 0.657 24.586 11.545 1.00 0.00 S ATOM 914 CE MET A 57 -0.892 23.678 11.708 1.00 0.00 C ATOM 0 H MET A 57 0.663 20.878 11.648 1.00 0.00 H new ATOM 0 HA MET A 57 2.820 22.764 11.093 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.091 21.902 13.344 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.737 22.309 13.787 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.071 24.211 13.864 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.557 24.517 12.985 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.619 24.068 10.996 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.717 22.621 11.506 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.277 23.795 12.721 1.00 0.00 H new ATOM 924 N ASP A 58 3.475 19.903 12.618 1.00 0.00 N ATOM 925 CA ASP A 58 4.444 18.863 12.955 1.00 0.00 C ATOM 926 C ASP A 58 5.286 18.430 11.759 1.00 0.00 C ATOM 927 O ASP A 58 6.481 18.181 11.912 1.00 0.00 O ATOM 928 CB ASP A 58 3.713 17.651 13.543 1.00 0.00 C ATOM 929 CG ASP A 58 4.672 16.492 13.796 1.00 0.00 C ATOM 930 OD1 ASP A 58 5.441 16.594 14.776 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.625 15.533 12.996 1.00 0.00 O ATOM 0 H ASP A 58 2.580 19.746 13.081 1.00 0.00 H new ATOM 0 HA ASP A 58 5.129 19.285 13.690 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.228 17.935 14.477 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.926 17.332 12.859 1.00 0.00 H new ATOM 936 N ASP A 59 4.672 18.360 10.575 1.00 0.00 N ATOM 937 CA ASP A 59 5.359 18.116 9.318 1.00 0.00 C ATOM 938 C ASP A 59 6.712 18.833 9.251 1.00 0.00 C ATOM 939 O ASP A 59 7.735 18.201 8.980 1.00 0.00 O ATOM 940 CB ASP A 59 4.470 18.604 8.173 1.00 0.00 C ATOM 941 CG ASP A 59 5.227 18.514 6.862 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.405 17.370 6.397 1.00 0.00 O ATOM 943 OD2 ASP A 59 5.648 19.587 6.382 1.00 0.00 O ATOM 0 H ASP A 59 3.664 18.474 10.468 1.00 0.00 H new ATOM 0 HA ASP A 59 5.551 17.046 9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.563 18.001 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.159 19.633 8.354 1.00 0.00 H new ATOM 948 N LEU A 60 6.724 20.148 9.493 1.00 0.00 N ATOM 949 CA LEU A 60 7.944 20.931 9.361 1.00 0.00 C ATOM 950 C LEU A 60 9.018 20.417 10.319 1.00 0.00 C ATOM 951 O LEU A 60 10.193 20.378 9.960 1.00 0.00 O ATOM 952 CB LEU A 60 7.657 22.436 9.502 1.00 0.00 C ATOM 953 CG LEU A 60 7.371 22.928 10.935 1.00 0.00 C ATOM 954 CD1 LEU A 60 8.640 23.446 11.627 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.341 24.064 10.900 1.00 0.00 C ATOM 0 H LEU A 60 5.905 20.684 9.779 1.00 0.00 H new ATOM 0 HA LEU A 60 8.344 20.802 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.511 22.989 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.802 22.685 8.874 1.00 0.00 H new ATOM 0 HG LEU A 60 6.989 22.076 11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.394 23.783 12.634 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.377 22.645 11.682 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.051 24.279 11.057 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.143 24.407 11.915 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.731 24.891 10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.415 23.702 10.453 1.00 0.00 H new ATOM 967 N ASP A 61 8.613 19.999 11.521 1.00 0.00 N ATOM 968 CA ASP A 61 9.519 19.540 12.561 1.00 0.00 C ATOM 969 C ASP A 61 10.053 18.156 12.208 1.00 0.00 C ATOM 970 O ASP A 61 11.262 17.937 12.229 1.00 0.00 O ATOM 971 CB ASP A 61 8.810 19.522 13.922 1.00 0.00 C ATOM 972 CG ASP A 61 8.271 20.895 14.301 1.00 0.00 C ATOM 973 OD1 ASP A 61 9.079 21.705 14.807 1.00 0.00 O ATOM 974 OD2 ASP A 61 7.061 21.114 14.069 1.00 0.00 O ATOM 0 H ASP A 61 7.631 19.972 11.797 1.00 0.00 H new ATOM 0 HA ASP A 61 10.360 20.230 12.630 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.989 18.805 13.894 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.505 19.181 14.689 1.00 0.00 H new ATOM 979 N ARG A 62 9.157 17.214 11.892 1.00 0.00 N ATOM 980 CA ARG A 62 9.566 15.847 11.593 1.00 0.00 C ATOM 981 C ARG A 62 10.422 15.795 10.321 1.00 0.00 C ATOM 982 O ARG A 62 11.313 14.954 10.203 1.00 0.00 O ATOM 983 CB ARG A 62 8.368 14.874 11.614 1.00 0.00 C ATOM 984 CG ARG A 62 7.363 14.987 10.453 1.00 0.00 C ATOM 985 CD ARG A 62 7.430 13.776 9.509 1.00 0.00 C ATOM 986 NE ARG A 62 8.775 13.651 8.939 1.00 0.00 N ATOM 987 CZ ARG A 62 9.502 12.530 8.852 1.00 0.00 C ATOM 988 NH1 ARG A 62 8.917 11.327 8.849 1.00 0.00 N ATOM 989 NH2 ARG A 62 10.830 12.644 8.777 1.00 0.00 N ATOM 0 H ARG A 62 8.151 17.377 11.838 1.00 0.00 H new ATOM 0 HA ARG A 62 10.218 15.490 12.391 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.757 13.856 11.629 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.826 15.022 12.548 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.354 15.077 10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.563 15.898 9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.172 12.867 10.053 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.697 13.888 8.710 1.00 0.00 H new ATOM 0 HE ARG A 62 9.199 14.503 8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.902 11.253 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.486 10.483 8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.264 13.567 8.787 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.411 11.808 8.710 1.00 0.00 H new ATOM 1068 N GLU A 67 13.956 14.754 3.441 1.00 0.00 N ATOM 1069 CA GLU A 67 12.994 14.393 2.416 1.00 0.00 C ATOM 1070 C GLU A 67 12.514 12.988 2.785 1.00 0.00 C ATOM 1071 O GLU A 67 13.314 12.054 2.814 1.00 0.00 O ATOM 1072 CB GLU A 67 13.641 14.411 1.022 1.00 0.00 C ATOM 1073 CG GLU A 67 14.255 15.773 0.648 1.00 0.00 C ATOM 1074 CD GLU A 67 15.656 16.030 1.210 1.00 0.00 C ATOM 1075 OE1 GLU A 67 16.189 15.131 1.900 1.00 0.00 O ATOM 1076 OE2 GLU A 67 16.176 17.128 0.920 1.00 0.00 O ATOM 0 HA GLU A 67 12.166 15.100 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.418 13.647 0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.891 14.143 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.297 15.849 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.590 16.562 0.998 1.00 0.00 H new ATOM 1083 N VAL A 68 11.239 12.831 3.128 1.00 0.00 N ATOM 1084 CA VAL A 68 10.745 11.592 3.701 1.00 0.00 C ATOM 1085 C VAL A 68 10.541 10.581 2.573 1.00 0.00 C ATOM 1086 O VAL A 68 10.064 10.946 1.497 1.00 0.00 O ATOM 1087 CB VAL A 68 9.483 11.842 4.551 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.645 13.072 5.454 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.186 11.965 3.751 1.00 0.00 C ATOM 0 H VAL A 68 10.528 13.554 3.016 1.00 0.00 H new ATOM 0 HA VAL A 68 11.473 11.170 4.394 1.00 0.00 H new ATOM 0 HB VAL A 68 9.388 10.942 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.736 13.217 6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.489 12.920 6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.826 13.954 4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.353 12.140 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.266 12.800 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.013 11.044 3.195 1.00 0.00 H new ATOM 1099 N ASN A 69 10.928 9.321 2.799 1.00 0.00 N ATOM 1100 CA ASN A 69 10.719 8.246 1.832 1.00 0.00 C ATOM 1101 C ASN A 69 9.282 7.735 1.900 1.00 0.00 C ATOM 1102 O ASN A 69 8.535 8.095 2.810 1.00 0.00 O ATOM 1103 CB ASN A 69 11.734 7.110 2.032 1.00 0.00 C ATOM 1104 CG ASN A 69 11.417 6.235 3.243 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.477 5.445 3.223 1.00 0.00 O ATOM 1106 ND2 ASN A 69 12.198 6.360 4.311 1.00 0.00 N ATOM 0 H ASN A 69 11.393 9.022 3.656 1.00 0.00 H new ATOM 0 HA ASN A 69 10.883 8.650 0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.757 6.488 1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.730 7.536 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.023 5.792 5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.972 7.024 4.302 1.00 0.00 H new ATOM 1113 N PHE A 70 8.914 6.868 0.954 1.00 0.00 N ATOM 1114 CA PHE A 70 7.587 6.274 0.877 1.00 0.00 C ATOM 1115 C PHE A 70 7.069 5.807 2.241 1.00 0.00 C ATOM 1116 O PHE A 70 6.020 6.269 2.679 1.00 0.00 O ATOM 1117 CB PHE A 70 7.567 5.144 -0.160 1.00 0.00 C ATOM 1118 CG PHE A 70 6.201 4.513 -0.358 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.169 5.263 -0.950 1.00 0.00 C ATOM 1120 CD2 PHE A 70 5.949 3.191 0.056 1.00 0.00 C ATOM 1121 CE1 PHE A 70 3.903 4.689 -1.157 1.00 0.00 C ATOM 1122 CE2 PHE A 70 4.687 2.613 -0.161 1.00 0.00 C ATOM 1123 CZ PHE A 70 3.664 3.359 -0.769 1.00 0.00 C ATOM 0 H PHE A 70 9.541 6.558 0.212 1.00 0.00 H new ATOM 0 HA PHE A 70 6.898 7.053 0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.917 5.535 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.272 4.371 0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.350 6.285 -1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.727 2.620 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.115 5.269 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.503 1.592 0.140 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.696 2.912 -0.938 1.00 0.00 H new ATOM 1133 N GLN A 71 7.785 4.929 2.953 1.00 0.00 N ATOM 1134 CA GLN A 71 7.257 4.413 4.213 1.00 0.00 C ATOM 1135 C GLN A 71 7.098 5.539 5.237 1.00 0.00 C ATOM 1136 O GLN A 71 6.170 5.504 6.038 1.00 0.00 O ATOM 1137 CB GLN A 71 8.102 3.263 4.777 1.00 0.00 C ATOM 1138 CG GLN A 71 7.318 2.435 5.817 1.00 0.00 C ATOM 1139 CD GLN A 71 6.276 1.532 5.164 1.00 0.00 C ATOM 1140 OE1 GLN A 71 6.621 0.542 4.528 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.995 1.851 5.325 1.00 0.00 N ATOM 0 H GLN A 71 8.703 4.572 2.687 1.00 0.00 H new ATOM 0 HA GLN A 71 6.271 3.999 4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.423 2.614 3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.004 3.666 5.238 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.014 1.826 6.394 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.825 3.108 6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.739 2.681 5.860 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.268 1.265 4.914 1.00 0.00 H new ATOM 1150 N GLU A 72 7.974 6.545 5.226 1.00 0.00 N ATOM 1151 CA GLU A 72 7.836 7.688 6.121 1.00 0.00 C ATOM 1152 C GLU A 72 6.587 8.504 5.767 1.00 0.00 C ATOM 1153 O GLU A 72 5.836 8.898 6.657 1.00 0.00 O ATOM 1154 CB GLU A 72 9.107 8.537 6.099 1.00 0.00 C ATOM 1155 CG GLU A 72 10.309 7.823 6.730 1.00 0.00 C ATOM 1156 CD GLU A 72 10.169 7.696 8.244 1.00 0.00 C ATOM 1157 OE1 GLU A 72 10.044 8.760 8.891 1.00 0.00 O ATOM 1158 OE2 GLU A 72 10.184 6.542 8.723 1.00 0.00 O ATOM 0 H GLU A 72 8.784 6.589 4.608 1.00 0.00 H new ATOM 0 HA GLU A 72 7.704 7.327 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.346 8.799 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.924 9.471 6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.412 6.831 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.221 8.372 6.495 1.00 0.00 H new ATOM 1165 N TYR A 73 6.320 8.722 4.478 1.00 0.00 N ATOM 1166 CA TYR A 73 5.053 9.293 4.023 1.00 0.00 C ATOM 1167 C TYR A 73 3.881 8.458 4.564 1.00 0.00 C ATOM 1168 O TYR A 73 2.941 8.990 5.158 1.00 0.00 O ATOM 1169 CB TYR A 73 5.062 9.416 2.488 1.00 0.00 C ATOM 1170 CG TYR A 73 3.731 9.219 1.783 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.828 10.288 1.643 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.451 7.987 1.159 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.669 10.131 0.862 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.265 7.815 0.428 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.389 8.897 0.251 1.00 0.00 C ATOM 1176 OH TYR A 73 0.295 8.761 -0.549 1.00 0.00 O ATOM 0 H TYR A 73 6.973 8.509 3.724 1.00 0.00 H new ATOM 0 HA TYR A 73 4.923 10.301 4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.443 10.403 2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.769 8.687 2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.024 11.229 2.135 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.153 7.170 1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.992 10.962 0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.027 6.851 0.002 1.00 0.00 H new ATOM 0 HH TYR A 73 0.459 8.057 -1.211 1.00 0.00 H new ATOM 1186 N ILE A 74 3.957 7.135 4.409 1.00 0.00 N ATOM 1187 CA ILE A 74 2.960 6.224 4.949 1.00 0.00 C ATOM 1188 C ILE A 74 2.908 6.300 6.488 1.00 0.00 C ATOM 1189 O ILE A 74 1.856 6.071 7.079 1.00 0.00 O ATOM 1190 CB ILE A 74 3.222 4.792 4.454 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.219 4.617 2.922 1.00 0.00 C ATOM 1192 CG2 ILE A 74 2.193 3.838 5.040 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.841 4.743 2.269 1.00 0.00 C ATOM 0 H ILE A 74 4.713 6.670 3.905 1.00 0.00 H new ATOM 0 HA ILE A 74 1.979 6.529 4.585 1.00 0.00 H new ATOM 0 HB ILE A 74 4.232 4.565 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.884 5.361 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.633 3.638 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.389 2.827 4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.257 3.857 6.128 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.194 4.145 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.935 4.606 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.175 3.982 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.430 5.731 2.475 1.00 0.00 H new ATOM 1205 N THR A 75 4.018 6.615 7.160 1.00 0.00 N ATOM 1206 CA THR A 75 4.028 6.839 8.601 1.00 0.00 C ATOM 1207 C THR A 75 3.260 8.118 8.923 1.00 0.00 C ATOM 1208 O THR A 75 2.458 8.132 9.849 1.00 0.00 O ATOM 1209 CB THR A 75 5.458 6.861 9.167 1.00 0.00 C ATOM 1210 OG1 THR A 75 6.130 5.677 8.790 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.452 6.910 10.697 1.00 0.00 C ATOM 0 H THR A 75 4.931 6.721 6.718 1.00 0.00 H new ATOM 0 HA THR A 75 3.526 6.004 9.090 1.00 0.00 H new ATOM 0 HB THR A 75 5.953 7.748 8.773 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.217 5.647 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.478 6.925 11.065 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.934 7.810 11.030 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.939 6.031 11.087 1.00 0.00 H new ATOM 1219 N PHE A 76 3.475 9.187 8.153 1.00 0.00 N ATOM 1220 CA PHE A 76 2.734 10.432 8.310 1.00 0.00 C ATOM 1221 C PHE A 76 1.229 10.156 8.193 1.00 0.00 C ATOM 1222 O PHE A 76 0.469 10.407 9.130 1.00 0.00 O ATOM 1223 CB PHE A 76 3.246 11.458 7.287 1.00 0.00 C ATOM 1224 CG PHE A 76 2.718 12.869 7.449 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.346 13.753 8.348 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.710 13.348 6.590 1.00 0.00 C ATOM 1227 CE1 PHE A 76 2.981 15.111 8.373 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.344 14.704 6.618 1.00 0.00 C ATOM 1229 CZ PHE A 76 1.981 15.587 7.507 1.00 0.00 C ATOM 0 H PHE A 76 4.168 9.210 7.405 1.00 0.00 H new ATOM 0 HA PHE A 76 2.896 10.859 9.300 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.334 11.488 7.344 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.989 11.106 6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.109 13.387 9.019 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.217 12.671 5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.469 15.789 9.058 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.572 15.068 5.956 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.702 16.630 7.525 1.00 0.00 H new ATOM 1239 N LEU A 77 0.798 9.589 7.060 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.611 9.272 6.838 1.00 0.00 C ATOM 1241 C LEU A 77 -1.137 8.267 7.868 1.00 0.00 C ATOM 1242 O LEU A 77 -2.241 8.417 8.385 1.00 0.00 O ATOM 1243 CB LEU A 77 -0.821 8.707 5.427 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.494 9.672 4.276 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -0.850 8.969 2.960 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.280 10.985 4.372 1.00 0.00 C ATOM 0 H LEU A 77 1.410 9.341 6.283 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.169 10.202 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.206 7.814 5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.860 8.392 5.331 1.00 0.00 H new ATOM 0 HG LEU A 77 0.565 9.926 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.628 9.631 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.264 8.055 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.911 8.721 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.013 11.631 3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.349 10.773 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.038 11.486 5.309 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.371 7.217 8.148 1.00 0.00 N ATOM 1259 CA GLY A 78 -0.782 6.158 9.051 1.00 0.00 C ATOM 1260 C GLY A 78 -0.947 6.684 10.475 1.00 0.00 C ATOM 1261 O GLY A 78 -1.938 6.383 11.132 1.00 0.00 O ATOM 0 H GLY A 78 0.558 7.080 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.723 5.728 8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.042 5.358 9.039 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.006 7.501 10.949 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.082 8.120 12.261 1.00 0.00 C ATOM 1267 C ALA A 79 -1.264 9.088 12.313 1.00 0.00 C ATOM 1268 O ALA A 79 -2.055 9.037 13.247 1.00 0.00 O ATOM 1269 CB ALA A 79 1.237 8.821 12.590 1.00 0.00 C ATOM 0 H ALA A 79 0.833 7.750 10.426 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.245 7.351 13.016 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.168 9.281 13.576 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.047 8.092 12.586 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.436 9.590 11.844 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.405 9.956 11.307 1.00 0.00 N ATOM 1276 CA LEU A 80 -2.568 10.829 11.159 1.00 0.00 C ATOM 1277 C LEU A 80 -3.862 10.026 11.350 1.00 0.00 C ATOM 1278 O LEU A 80 -4.685 10.315 12.228 1.00 0.00 O ATOM 1279 CB LEU A 80 -2.490 11.470 9.763 1.00 0.00 C ATOM 1280 CG LEU A 80 -3.738 12.220 9.294 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -3.995 13.418 10.198 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -3.510 12.726 7.868 1.00 0.00 C ATOM 0 H LEU A 80 -0.710 10.072 10.569 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.572 11.612 11.918 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.649 12.163 9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.268 10.687 9.038 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.594 11.546 9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.885 13.947 9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.146 13.076 11.222 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.138 14.091 10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.395 13.262 7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.651 13.397 7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.321 11.880 7.208 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.002 8.992 10.520 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.118 8.071 10.546 1.00 0.00 C ATOM 1296 C ALA A 81 -5.309 7.486 11.943 1.00 0.00 C ATOM 1297 O ALA A 81 -6.428 7.492 12.445 1.00 0.00 O ATOM 1298 CB ALA A 81 -4.892 6.970 9.510 1.00 0.00 C ATOM 0 H ALA A 81 -3.319 8.774 9.795 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.032 8.609 10.293 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.732 6.275 9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.811 7.415 8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.972 6.434 9.744 1.00 0.00 H new ATOM 1304 N MET A 82 -4.238 6.982 12.557 1.00 0.00 N ATOM 1305 CA MET A 82 -4.264 6.376 13.878 1.00 0.00 C ATOM 1306 C MET A 82 -4.804 7.362 14.914 1.00 0.00 C ATOM 1307 O MET A 82 -5.697 7.015 15.682 1.00 0.00 O ATOM 1308 CB MET A 82 -2.858 5.882 14.249 1.00 0.00 C ATOM 1309 CG MET A 82 -2.843 5.056 15.541 1.00 0.00 C ATOM 1310 SD MET A 82 -1.200 4.682 16.208 1.00 0.00 S ATOM 1311 CE MET A 82 -0.476 3.732 14.853 1.00 0.00 C ATOM 0 H MET A 82 -3.309 6.987 12.135 1.00 0.00 H new ATOM 0 HA MET A 82 -4.936 5.518 13.866 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.462 5.279 13.432 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.194 6.739 14.363 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.411 5.592 16.301 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.364 4.116 15.357 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.502 3.357 15.154 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.127 2.893 14.609 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.366 4.372 13.978 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.250 8.578 14.960 1.00 0.00 N ATOM 1322 CA ILE A 83 -4.652 9.555 15.959 1.00 0.00 C ATOM 1323 C ILE A 83 -6.139 9.882 15.788 1.00 0.00 C ATOM 1324 O ILE A 83 -6.859 9.867 16.788 1.00 0.00 O ATOM 1325 CB ILE A 83 -3.789 10.831 15.928 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.285 10.598 16.143 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -4.264 11.816 17.014 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -1.492 11.844 15.719 1.00 0.00 C ATOM 0 H ILE A 83 -3.526 8.901 14.318 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.491 9.111 16.942 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.917 11.228 14.921 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.090 10.373 17.192 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.957 9.734 15.565 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.648 12.715 16.984 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.305 12.083 16.833 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.175 11.347 17.994 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.428 11.669 15.875 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.675 12.050 14.664 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.810 12.699 16.316 1.00 0.00 H new ATOM 1340 N TYR A 84 -6.605 10.222 14.571 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.018 10.587 14.432 1.00 0.00 C ATOM 1342 C TYR A 84 -8.969 9.386 14.539 1.00 0.00 C ATOM 1343 O TYR A 84 -9.992 9.474 15.218 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.329 11.640 13.349 1.00 0.00 C ATOM 1345 CG TYR A 84 -7.915 11.464 11.896 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.377 10.361 11.153 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -7.466 12.606 11.202 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.306 10.370 9.746 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -7.403 12.622 9.801 1.00 0.00 C ATOM 1350 CZ TYR A 84 -7.807 11.496 9.068 1.00 0.00 C ATOM 1351 OH TYR A 84 -7.847 11.561 7.707 1.00 0.00 O ATOM 0 H TYR A 84 -6.053 10.250 13.714 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.255 11.165 15.325 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.410 11.779 13.351 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.886 12.577 13.688 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.788 9.503 11.664 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.166 13.482 11.758 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.636 9.508 9.186 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.044 13.501 9.287 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.598 11.025 7.376 1.00 0.00 H new ATOM 1361 N ASN A 85 -8.631 8.238 13.948 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.404 7.013 14.144 1.00 0.00 C ATOM 1363 C ASN A 85 -9.026 6.409 15.491 1.00 0.00 C ATOM 1364 O ASN A 85 -8.335 5.395 15.537 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.174 5.981 13.030 1.00 0.00 C ATOM 1366 CG ASN A 85 -9.643 6.454 11.664 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -10.794 6.259 11.286 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -8.743 7.055 10.899 1.00 0.00 N ATOM 0 H ASN A 85 -7.827 8.133 13.330 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.461 7.276 14.116 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.112 5.743 12.979 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.695 5.059 13.286 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -8.999 7.372 9.964 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.795 7.201 11.246 1.00 0.00 H new ATOM 1375 N GLU A 86 -9.513 7.014 16.579 1.00 0.00 N ATOM 1376 CA GLU A 86 -9.260 6.609 17.962 1.00 0.00 C ATOM 1377 C GLU A 86 -9.256 5.083 18.152 1.00 0.00 C ATOM 1378 O GLU A 86 -8.405 4.545 18.857 1.00 0.00 O ATOM 1379 CB GLU A 86 -10.284 7.297 18.874 1.00 0.00 C ATOM 1380 CG GLU A 86 -9.960 7.102 20.361 1.00 0.00 C ATOM 1381 CD GLU A 86 -10.952 7.857 21.241 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -12.080 7.342 21.389 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -10.568 8.940 21.732 1.00 0.00 O ATOM 0 H GLU A 86 -10.119 7.832 16.516 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.255 6.930 18.235 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.312 8.363 18.647 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.278 6.901 18.666 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.986 6.040 20.606 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.948 7.452 20.565 1.00 0.00 H new ATOM 1390 N ALA A 87 -10.199 4.391 17.503 1.00 0.00 N ATOM 1391 CA ALA A 87 -10.282 2.934 17.435 1.00 0.00 C ATOM 1392 C ALA A 87 -8.907 2.263 17.305 1.00 0.00 C ATOM 1393 O ALA A 87 -8.601 1.308 18.017 1.00 0.00 O ATOM 1394 CB ALA A 87 -11.163 2.553 16.241 1.00 0.00 C ATOM 0 H ALA A 87 -10.952 4.851 16.992 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.714 2.577 18.370 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.236 1.467 16.175 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.159 2.976 16.374 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.722 2.944 15.324 1.00 0.00 H new ATOM 1400 N LEU A 88 -8.061 2.776 16.408 1.00 0.00 N ATOM 1401 CA LEU A 88 -6.757 2.211 16.093 1.00 0.00 C ATOM 1402 C LEU A 88 -5.721 2.414 17.206 1.00 0.00 C ATOM 1403 O LEU A 88 -4.558 2.067 17.011 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.251 2.780 14.762 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.195 2.504 13.582 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -6.626 3.167 12.326 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -7.363 1.000 13.319 1.00 0.00 C ATOM 0 H LEU A 88 -8.274 3.616 15.870 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.889 1.133 16.004 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.114 3.857 14.864 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.272 2.354 14.542 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.174 2.913 13.832 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.289 2.977 11.482 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.543 4.242 12.488 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.640 2.755 12.112 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.038 0.851 12.477 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.393 0.560 13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.777 0.520 14.205 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.692 12.528 3.218 1.00 0.00 N ATOM 1470 CA ALA B 2 -13.848 11.411 2.820 1.00 0.00 C ATOM 1471 C ALA B 2 -13.156 11.706 1.486 1.00 0.00 C ATOM 1472 O ALA B 2 -13.515 11.143 0.454 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.666 10.117 2.772 1.00 0.00 C ATOM 0 HA ALA B 2 -13.064 11.275 3.565 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.022 9.290 2.473 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.083 9.914 3.758 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.476 10.225 2.051 1.00 0.00 H new ATOM 1479 N SER B 3 -12.155 12.589 1.507 1.00 0.00 N ATOM 1480 CA SER B 3 -11.284 12.847 0.367 1.00 0.00 C ATOM 1481 C SER B 3 -10.676 11.536 -0.171 1.00 0.00 C ATOM 1482 O SER B 3 -10.600 10.566 0.582 1.00 0.00 O ATOM 1483 CB SER B 3 -10.173 13.787 0.836 1.00 0.00 C ATOM 1484 OG SER B 3 -10.688 14.807 1.675 1.00 0.00 O ATOM 0 H SER B 3 -11.927 13.150 2.328 1.00 0.00 H new ATOM 0 HA SER B 3 -11.857 13.298 -0.443 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.414 13.218 1.373 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.683 14.236 -0.028 1.00 0.00 H new ATOM 0 HG SER B 3 -10.057 15.556 1.704 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.195 11.479 -1.428 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.659 10.256 -2.022 1.00 0.00 C ATOM 1492 C PRO B 4 -8.643 9.547 -1.123 1.00 0.00 C ATOM 1493 O PRO B 4 -8.776 8.353 -0.859 1.00 0.00 O ATOM 1494 CB PRO B 4 -9.053 10.665 -3.366 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.867 11.904 -3.743 1.00 0.00 C ATOM 1496 CD PRO B 4 -10.153 12.566 -2.394 1.00 0.00 C ATOM 0 HA PRO B 4 -10.453 9.521 -2.154 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.990 10.891 -3.278 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -9.151 9.875 -4.111 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.308 12.566 -4.405 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.787 11.637 -4.263 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.377 13.288 -2.139 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.098 13.108 -2.416 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.648 10.283 -0.614 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.728 9.725 0.365 1.00 0.00 C ATOM 1506 C LEU B 5 -7.459 9.161 1.581 1.00 0.00 C ATOM 1507 O LEU B 5 -7.122 8.076 2.038 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.679 10.748 0.825 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.270 10.599 0.238 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.354 11.588 0.978 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.688 9.189 0.435 1.00 0.00 C ATOM 0 H LEU B 5 -7.466 11.255 -0.865 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.214 8.909 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.046 11.745 0.581 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.603 10.693 1.911 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.330 10.790 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.340 11.509 0.585 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.722 12.604 0.832 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.350 11.353 2.042 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.690 9.143 -0.000 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.630 8.965 1.500 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.331 8.458 -0.055 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.438 9.887 2.125 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.135 9.448 3.324 1.00 0.00 C ATOM 1525 C ASP B 6 -9.896 8.157 3.038 1.00 0.00 C ATOM 1526 O ASP B 6 -9.916 7.261 3.875 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.067 10.534 3.866 1.00 0.00 C ATOM 1528 CG ASP B 6 -10.565 10.162 5.261 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -9.752 10.282 6.206 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -11.744 9.761 5.354 1.00 0.00 O ATOM 0 H ASP B 6 -8.762 10.779 1.751 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.394 9.253 4.099 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.541 11.488 3.903 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -10.915 10.664 3.193 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.491 8.041 1.849 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.142 6.814 1.416 1.00 0.00 C ATOM 1537 C GLN B 7 -10.123 5.677 1.273 1.00 0.00 C ATOM 1538 O GLN B 7 -10.384 4.563 1.725 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.918 7.066 0.114 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.595 5.809 -0.459 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.611 5.180 0.493 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -14.803 5.442 0.396 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -13.157 4.334 1.414 1.00 0.00 N ATOM 0 H GLN B 7 -10.532 8.796 1.164 1.00 0.00 H new ATOM 0 HA GLN B 7 -11.858 6.500 2.175 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.678 7.825 0.296 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.235 7.472 -0.632 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -13.095 6.068 -1.392 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -11.830 5.071 -0.701 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -12.159 4.133 1.474 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -13.807 3.887 2.060 1.00 0.00 H new ATOM 1552 N ALA B 8 -8.984 5.924 0.626 1.00 0.00 N ATOM 1553 CA ALA B 8 -7.960 4.904 0.409 1.00 0.00 C ATOM 1554 C ALA B 8 -7.379 4.415 1.744 1.00 0.00 C ATOM 1555 O ALA B 8 -7.284 3.216 2.004 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.871 5.484 -0.490 1.00 0.00 C ATOM 0 H ALA B 8 -8.746 6.837 0.238 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.406 4.038 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.100 4.732 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.306 5.779 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.428 6.356 -0.008 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.019 5.356 2.616 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.652 5.081 3.997 1.00 0.00 C ATOM 1564 C ILE B 9 -7.782 4.272 4.638 1.00 0.00 C ATOM 1565 O ILE B 9 -7.541 3.203 5.188 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.368 6.411 4.723 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.046 7.016 4.213 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.319 6.235 6.244 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -4.861 8.473 4.652 1.00 0.00 C ATOM 0 H ILE B 9 -6.975 6.346 2.375 1.00 0.00 H new ATOM 0 HA ILE B 9 -5.739 4.489 4.064 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.190 7.092 4.501 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.211 6.420 4.581 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.021 6.962 3.125 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.116 7.197 6.715 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.277 5.852 6.597 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -5.529 5.530 6.503 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -3.914 8.852 4.267 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -5.680 9.077 4.261 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -4.857 8.527 5.741 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.016 4.765 4.529 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.233 4.116 4.989 1.00 0.00 C ATOM 1583 C GLY B 10 -10.305 2.655 4.553 1.00 0.00 C ATOM 1584 O GLY B 10 -10.662 1.793 5.347 1.00 0.00 O ATOM 0 H GLY B 10 -9.197 5.671 4.096 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.285 4.172 6.076 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.099 4.653 4.601 1.00 0.00 H new ATOM 1588 N LEU B 11 -9.954 2.364 3.300 1.00 0.00 N ATOM 1589 CA LEU B 11 -9.854 1.005 2.791 1.00 0.00 C ATOM 1590 C LEU B 11 -8.827 0.200 3.599 1.00 0.00 C ATOM 1591 O LEU B 11 -9.166 -0.860 4.123 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.545 1.038 1.283 1.00 0.00 C ATOM 1593 CG LEU B 11 -10.818 0.954 0.430 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.637 1.674 -0.912 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.152 -0.516 0.164 1.00 0.00 C ATOM 0 H LEU B 11 -9.730 3.077 2.606 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.808 0.492 2.914 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.009 1.956 1.043 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -8.885 0.208 1.031 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.627 1.438 0.977 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.556 1.597 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.408 2.725 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.818 1.213 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.056 -0.580 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.325 -0.987 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.313 -1.030 1.112 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.588 0.686 3.733 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.560 -0.023 4.507 1.00 0.00 C ATOM 1609 C LEU B 12 -7.007 -0.242 5.963 1.00 0.00 C ATOM 1610 O LEU B 12 -6.827 -1.335 6.509 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.200 0.698 4.424 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.353 0.239 3.221 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.045 0.516 1.888 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -3.000 0.955 3.214 1.00 0.00 C ATOM 0 H LEU B 12 -7.273 1.563 3.318 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.428 -1.009 4.061 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.367 1.773 4.356 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.643 0.520 5.344 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.218 -0.837 3.331 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.410 0.175 1.070 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.996 -0.016 1.854 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.224 1.586 1.786 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.415 0.619 2.358 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.158 2.031 3.145 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.462 0.725 4.134 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.592 0.783 6.588 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.188 0.691 7.918 1.00 0.00 C ATOM 1628 C ILE B 13 -9.241 -0.415 7.941 1.00 0.00 C ATOM 1629 O ILE B 13 -9.172 -1.311 8.775 1.00 0.00 O ATOM 1630 CB ILE B 13 -8.799 2.041 8.344 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.685 3.082 8.535 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.626 1.895 9.635 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.250 4.460 8.879 1.00 0.00 C ATOM 0 H ILE B 13 -7.665 1.713 6.176 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.405 0.443 8.634 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.471 2.378 7.555 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.014 2.755 9.330 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.091 3.150 7.624 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.044 2.863 9.911 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.435 1.184 9.470 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -8.985 1.535 10.439 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.431 5.168 9.006 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -8.900 4.798 8.072 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -8.823 4.398 9.804 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.227 -0.338 7.048 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.332 -1.276 6.974 1.00 0.00 C ATOM 1647 C GLY B 14 -10.802 -2.698 6.870 1.00 0.00 C ATOM 1648 O GLY B 14 -11.191 -3.565 7.646 1.00 0.00 O ATOM 0 H GLY B 14 -10.275 0.397 6.343 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -11.963 -1.178 7.858 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -11.956 -1.048 6.110 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.881 -2.922 5.931 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.211 -4.199 5.753 1.00 0.00 C ATOM 1654 C ILE B 15 -8.594 -4.670 7.069 1.00 0.00 C ATOM 1655 O ILE B 15 -8.783 -5.821 7.452 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.164 -4.081 4.633 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.848 -3.944 3.261 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.195 -5.269 4.664 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.361 -5.266 2.689 1.00 0.00 C ATOM 0 H ILE B 15 -9.580 -2.208 5.267 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.938 -4.954 5.455 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.579 -3.177 4.802 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.683 -3.250 3.350 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.142 -3.504 2.556 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.464 -5.163 3.863 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.680 -5.293 5.624 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.752 -6.196 4.527 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.830 -5.086 1.721 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.527 -5.957 2.566 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.092 -5.698 3.372 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.852 -3.803 7.759 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.282 -4.165 9.049 1.00 0.00 C ATOM 1673 C PHE B 16 -8.395 -4.592 10.011 1.00 0.00 C ATOM 1674 O PHE B 16 -8.439 -5.738 10.460 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.475 -2.985 9.598 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.672 -3.290 10.843 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.569 -4.159 10.772 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -5.962 -2.626 12.048 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.728 -4.321 11.885 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.118 -2.786 13.158 1.00 0.00 C ATOM 1681 CZ PHE B 16 -4.007 -3.642 13.081 1.00 0.00 C ATOM 0 H PHE B 16 -7.636 -2.856 7.447 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.606 -5.012 8.934 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.795 -2.635 8.821 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.159 -2.165 9.816 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.368 -4.703 9.861 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.834 -1.993 12.119 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.866 -4.969 11.820 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.323 -2.250 14.073 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.368 -3.777 13.941 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.316 -3.664 10.284 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.398 -3.808 11.243 1.00 0.00 C ATOM 1693 C HIS B 17 -11.198 -5.086 10.999 1.00 0.00 C ATOM 1694 O HIS B 17 -11.573 -5.754 11.964 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.292 -2.562 11.198 1.00 0.00 C ATOM 1696 CG HIS B 17 -12.274 -2.462 12.341 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -12.761 -3.504 13.102 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -12.825 -1.307 12.829 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -13.587 -2.982 14.025 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -13.659 -1.648 13.898 1.00 0.00 N ATOM 0 H HIS B 17 -9.322 -2.756 9.819 1.00 0.00 H new ATOM 0 HA HIS B 17 -9.972 -3.896 12.243 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -10.659 -1.675 11.199 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -11.844 -2.559 10.258 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -12.535 -4.492 12.986 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -12.647 -0.310 12.454 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -14.120 -3.558 14.767 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.455 -5.412 9.726 1.00 0.00 N ATOM 1709 CA LYS B 18 -12.187 -6.593 9.285 1.00 0.00 C ATOM 1710 C LYS B 18 -11.709 -7.856 10.008 1.00 0.00 C ATOM 1711 O LYS B 18 -12.519 -8.739 10.282 1.00 0.00 O ATOM 1712 CB LYS B 18 -12.042 -6.702 7.758 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.826 -7.846 7.105 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.594 -7.860 5.584 1.00 0.00 C ATOM 1715 CE LYS B 18 -13.372 -6.764 4.847 1.00 0.00 C ATOM 1716 NZ LYS B 18 -13.157 -6.854 3.392 1.00 0.00 N ATOM 0 H LYS B 18 -11.143 -4.832 8.947 1.00 0.00 H new ATOM 0 HA LYS B 18 -13.242 -6.494 9.539 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.364 -5.761 7.311 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.986 -6.824 7.518 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.516 -8.799 7.535 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.889 -7.732 7.315 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.529 -7.739 5.384 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.884 -8.833 5.187 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.435 -6.856 5.068 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.056 -5.784 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.694 -6.102 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.144 -6.743 3.183 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -13.481 -7.781 3.050 1.00 0.00 H new ATOM 1730 N TYR B 19 -10.409 -7.943 10.320 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.848 -9.066 11.057 1.00 0.00 C ATOM 1732 C TYR B 19 -9.414 -8.633 12.459 1.00 0.00 C ATOM 1733 O TYR B 19 -9.791 -9.272 13.443 1.00 0.00 O ATOM 1734 CB TYR B 19 -8.727 -9.723 10.241 1.00 0.00 C ATOM 1735 CG TYR B 19 -9.198 -10.179 8.869 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -9.850 -11.417 8.704 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -9.139 -9.283 7.788 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -10.474 -11.727 7.484 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -9.695 -9.627 6.545 1.00 0.00 C ATOM 1740 CZ TYR B 19 -10.403 -10.831 6.407 1.00 0.00 C ATOM 1741 OH TYR B 19 -10.865 -11.229 5.190 1.00 0.00 O ATOM 0 H TYR B 19 -9.723 -7.233 10.065 1.00 0.00 H new ATOM 0 HA TYR B 19 -10.613 -9.828 11.205 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.905 -9.017 10.124 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -8.335 -10.579 10.791 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -9.870 -12.128 9.516 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.662 -8.322 7.914 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -11.010 -12.658 7.375 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -9.578 -8.967 5.698 1.00 0.00 H new ATOM 0 HH TYR B 19 -10.677 -10.534 4.525 1.00 0.00 H new ATOM 1751 N SER B 20 -8.642 -7.545 12.560 1.00 0.00 N ATOM 1752 CA SER B 20 -8.061 -7.085 13.818 1.00 0.00 C ATOM 1753 C SER B 20 -9.139 -6.881 14.880 1.00 0.00 C ATOM 1754 O SER B 20 -8.939 -7.234 16.038 1.00 0.00 O ATOM 1755 CB SER B 20 -7.203 -5.826 13.605 1.00 0.00 C ATOM 1756 OG SER B 20 -7.989 -4.652 13.577 1.00 0.00 O ATOM 0 H SER B 20 -8.403 -6.957 11.762 1.00 0.00 H new ATOM 0 HA SER B 20 -7.394 -7.863 14.190 1.00 0.00 H new ATOM 0 HB2 SER B 20 -6.465 -5.750 14.404 1.00 0.00 H new ATOM 0 HB3 SER B 20 -6.652 -5.916 12.669 1.00 0.00 H new ATOM 0 HG SER B 20 -7.484 -3.930 13.147 1.00 0.00 H new ATOM 1847 N HIS B 27 -6.831 -3.072 17.902 1.00 0.00 N ATOM 1848 CA HIS B 27 -5.926 -2.368 16.998 1.00 0.00 C ATOM 1849 C HIS B 27 -4.636 -3.139 16.682 1.00 0.00 C ATOM 1850 O HIS B 27 -3.706 -2.554 16.118 1.00 0.00 O ATOM 1851 CB HIS B 27 -5.624 -0.955 17.513 1.00 0.00 C ATOM 1852 CG HIS B 27 -4.550 -0.860 18.570 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -4.669 -1.198 19.897 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -3.277 -0.391 18.379 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -3.491 -0.937 20.490 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -2.609 -0.449 19.605 1.00 0.00 N ATOM 0 HA HIS B 27 -6.455 -2.288 16.048 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.331 -0.334 16.666 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -6.544 -0.531 17.916 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -2.863 -0.039 17.446 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -3.283 -1.098 21.537 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -1.644 -0.175 19.790 1.00 0.00 H new ATOM 1864 N THR B 28 -4.558 -4.427 17.029 1.00 0.00 N ATOM 1865 CA THR B 28 -3.425 -5.285 16.718 1.00 0.00 C ATOM 1866 C THR B 28 -3.924 -6.609 16.135 1.00 0.00 C ATOM 1867 O THR B 28 -5.103 -6.931 16.267 1.00 0.00 O ATOM 1868 CB THR B 28 -2.583 -5.529 17.980 1.00 0.00 C ATOM 1869 OG1 THR B 28 -3.295 -6.335 18.894 1.00 0.00 O ATOM 1870 CG2 THR B 28 -2.160 -4.251 18.704 1.00 0.00 C ATOM 0 H THR B 28 -5.297 -4.906 17.543 1.00 0.00 H new ATOM 0 HA THR B 28 -2.794 -4.793 15.977 1.00 0.00 H new ATOM 0 HB THR B 28 -1.677 -6.024 17.630 1.00 0.00 H new ATOM 0 HG1 THR B 28 -2.748 -6.485 19.693 1.00 0.00 H new ATOM 0 HG21 THR B 28 -1.570 -4.509 19.583 1.00 0.00 H new ATOM 0 HG22 THR B 28 -1.562 -3.634 18.034 1.00 0.00 H new ATOM 0 HG23 THR B 28 -3.047 -3.697 19.012 1.00 0.00 H new ATOM 1878 N LEU B 29 -3.036 -7.382 15.503 1.00 0.00 N ATOM 1879 CA LEU B 29 -3.329 -8.752 15.098 1.00 0.00 C ATOM 1880 C LEU B 29 -2.038 -9.539 14.856 1.00 0.00 C ATOM 1881 O LEU B 29 -0.959 -8.953 14.824 1.00 0.00 O ATOM 1882 CB LEU B 29 -4.311 -8.805 13.916 1.00 0.00 C ATOM 1883 CG LEU B 29 -4.107 -7.764 12.808 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -2.676 -7.751 12.274 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -5.060 -8.079 11.653 1.00 0.00 C ATOM 0 H LEU B 29 -2.095 -7.072 15.260 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.843 -9.248 15.921 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -4.251 -9.797 13.467 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -5.322 -8.693 14.307 1.00 0.00 H new ATOM 0 HG LEU B 29 -4.310 -6.782 13.236 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.586 -6.997 11.492 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.987 -7.516 13.085 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.432 -8.731 11.863 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -4.924 -7.345 10.859 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -4.847 -9.076 11.267 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -6.089 -8.041 12.010 1.00 0.00 H new ATOM 1897 N SER B 30 -2.144 -10.867 14.737 1.00 0.00 N ATOM 1898 CA SER B 30 -1.019 -11.796 14.713 1.00 0.00 C ATOM 1899 C SER B 30 -0.844 -12.510 13.363 1.00 0.00 C ATOM 1900 O SER B 30 -1.715 -12.467 12.495 1.00 0.00 O ATOM 1901 CB SER B 30 -1.217 -12.835 15.824 1.00 0.00 C ATOM 1902 OG SER B 30 -1.327 -12.204 17.081 1.00 0.00 O ATOM 0 H SER B 30 -3.046 -11.335 14.652 1.00 0.00 H new ATOM 0 HA SER B 30 -0.112 -11.213 14.872 1.00 0.00 H new ATOM 0 HB2 SER B 30 -2.114 -13.421 15.626 1.00 0.00 H new ATOM 0 HB3 SER B 30 -0.378 -13.530 15.833 1.00 0.00 H new ATOM 0 HG SER B 30 -2.154 -11.678 17.112 1.00 0.00 H new ATOM 1908 N LYS B 31 0.290 -13.208 13.233 1.00 0.00 N ATOM 1909 CA LYS B 31 0.732 -14.015 12.097 1.00 0.00 C ATOM 1910 C LYS B 31 -0.388 -14.700 11.306 1.00 0.00 C ATOM 1911 O LYS B 31 -0.440 -14.589 10.081 1.00 0.00 O ATOM 1912 CB LYS B 31 1.807 -15.020 12.553 1.00 0.00 C ATOM 1913 CG LYS B 31 1.424 -15.891 13.764 1.00 0.00 C ATOM 1914 CD LYS B 31 2.542 -16.865 14.171 1.00 0.00 C ATOM 1915 CE LYS B 31 3.788 -16.139 14.692 1.00 0.00 C ATOM 1916 NZ LYS B 31 4.755 -17.065 15.305 1.00 0.00 N ATOM 0 H LYS B 31 0.978 -13.222 13.986 1.00 0.00 H new ATOM 0 HA LYS B 31 1.162 -13.313 11.383 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.046 -15.676 11.716 1.00 0.00 H new ATOM 0 HB3 LYS B 31 2.716 -14.469 12.796 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.184 -15.246 14.609 1.00 0.00 H new ATOM 0 HG3 LYS B 31 0.522 -16.457 13.529 1.00 0.00 H new ATOM 0 HD2 LYS B 31 2.169 -17.540 14.941 1.00 0.00 H new ATOM 0 HD3 LYS B 31 2.815 -17.480 13.313 1.00 0.00 H new ATOM 0 HE2 LYS B 31 4.267 -15.608 13.870 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.490 -15.390 15.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.581 -16.531 15.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 4.307 -17.554 16.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 5.061 -17.765 14.599 1.00 0.00 H new ATOM 1930 N LYS B 32 -1.269 -15.436 11.987 1.00 0.00 N ATOM 1931 CA LYS B 32 -2.360 -16.153 11.351 1.00 0.00 C ATOM 1932 C LYS B 32 -3.235 -15.146 10.602 1.00 0.00 C ATOM 1933 O LYS B 32 -3.367 -15.218 9.381 1.00 0.00 O ATOM 1934 CB LYS B 32 -3.093 -16.951 12.435 1.00 0.00 C ATOM 1935 CG LYS B 32 -4.311 -17.723 11.921 1.00 0.00 C ATOM 1936 CD LYS B 32 -5.065 -18.368 13.089 1.00 0.00 C ATOM 1937 CE LYS B 32 -4.317 -19.568 13.682 1.00 0.00 C ATOM 1938 NZ LYS B 32 -5.113 -20.228 14.732 1.00 0.00 N ATOM 0 H LYS B 32 -1.240 -15.548 13.000 1.00 0.00 H new ATOM 0 HA LYS B 32 -2.020 -16.871 10.605 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.395 -17.654 12.889 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.414 -16.267 13.221 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.975 -17.049 11.379 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.992 -18.491 11.217 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.226 -17.623 13.869 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -6.049 -18.690 12.748 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.088 -20.283 12.892 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -3.365 -19.237 14.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -4.581 -21.036 15.114 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -5.310 -19.550 15.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -6.010 -20.564 14.328 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.784 -14.173 11.336 1.00 0.00 N ATOM 1953 CA GLU B 33 -4.589 -13.102 10.775 1.00 0.00 C ATOM 1954 C GLU B 33 -3.860 -12.398 9.631 1.00 0.00 C ATOM 1955 O GLU B 33 -4.501 -12.050 8.649 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.988 -12.074 11.839 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.707 -12.676 13.053 1.00 0.00 C ATOM 1958 CD GLU B 33 -4.732 -13.012 14.174 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -4.112 -14.094 14.095 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -4.572 -12.152 15.066 1.00 0.00 O ATOM 0 H GLU B 33 -3.676 -14.113 12.348 1.00 0.00 H new ATOM 0 HA GLU B 33 -5.495 -13.565 10.385 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -4.093 -11.555 12.181 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -5.635 -11.326 11.381 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -6.455 -11.972 13.419 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -6.239 -13.578 12.751 1.00 0.00 H new ATOM 1967 N LEU B 34 -2.549 -12.168 9.748 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.770 -11.511 8.700 1.00 0.00 C ATOM 1969 C LEU B 34 -1.708 -12.348 7.418 1.00 0.00 C ATOM 1970 O LEU B 34 -1.985 -11.843 6.327 1.00 0.00 O ATOM 1971 CB LEU B 34 -0.361 -11.183 9.204 1.00 0.00 C ATOM 1972 CG LEU B 34 -0.374 -10.072 10.264 1.00 0.00 C ATOM 1973 CD1 LEU B 34 0.956 -10.069 11.017 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.597 -8.690 9.631 1.00 0.00 C ATOM 0 H LEU B 34 -2.002 -12.431 10.568 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.279 -10.580 8.451 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.092 -12.081 9.625 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.262 -10.876 8.364 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.198 -10.272 10.949 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.946 -9.280 11.769 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.101 -11.033 11.504 1.00 0.00 H new ATOM 0 HD13 LEU B 34 1.771 -9.891 10.315 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -0.600 -7.929 10.411 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.205 -8.481 8.923 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -1.554 -8.679 9.109 1.00 0.00 H new ATOM 1986 N LYS B 35 -1.332 -13.624 7.524 1.00 0.00 N ATOM 1987 CA LYS B 35 -1.270 -14.492 6.354 1.00 0.00 C ATOM 1988 C LYS B 35 -2.665 -14.627 5.729 1.00 0.00 C ATOM 1989 O LYS B 35 -2.823 -14.480 4.518 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.643 -15.843 6.718 1.00 0.00 C ATOM 1991 CG LYS B 35 0.855 -15.679 7.037 1.00 0.00 C ATOM 1992 CD LYS B 35 1.566 -17.021 7.274 1.00 0.00 C ATOM 1993 CE LYS B 35 1.659 -17.401 8.758 1.00 0.00 C ATOM 1994 NZ LYS B 35 0.345 -17.397 9.417 1.00 0.00 N ATOM 0 H LYS B 35 -1.069 -14.073 8.401 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.622 -14.046 5.599 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -1.159 -16.269 7.579 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -0.770 -16.543 5.892 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.342 -15.156 6.214 1.00 0.00 H new ATOM 0 HG3 LYS B 35 0.966 -15.053 7.922 1.00 0.00 H new ATOM 0 HD2 LYS B 35 1.034 -17.806 6.737 1.00 0.00 H new ATOM 0 HD3 LYS B 35 2.571 -16.972 6.854 1.00 0.00 H new ATOM 0 HE2 LYS B 35 2.107 -18.391 8.850 1.00 0.00 H new ATOM 0 HE3 LYS B 35 2.322 -16.703 9.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 0.437 -17.788 10.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -0.012 -16.422 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -0.320 -17.978 8.868 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.688 -14.849 6.559 1.00 0.00 N ATOM 2009 CA GLU B 36 -5.087 -14.789 6.146 1.00 0.00 C ATOM 2010 C GLU B 36 -5.367 -13.488 5.384 1.00 0.00 C ATOM 2011 O GLU B 36 -5.839 -13.538 4.251 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.979 -14.971 7.385 1.00 0.00 C ATOM 2013 CG GLU B 36 -6.364 -16.443 7.605 1.00 0.00 C ATOM 2014 CD GLU B 36 -5.169 -17.391 7.694 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -4.682 -17.800 6.617 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -4.783 -17.716 8.837 1.00 0.00 O ATOM 0 H GLU B 36 -3.564 -15.077 7.545 1.00 0.00 H new ATOM 0 HA GLU B 36 -5.316 -15.597 5.452 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.457 -14.597 8.266 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -6.883 -14.373 7.272 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -6.947 -16.522 8.523 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -7.010 -16.765 6.788 1.00 0.00 H new ATOM 2023 N LEU B 37 -5.098 -12.334 5.998 1.00 0.00 N ATOM 2024 CA LEU B 37 -5.268 -11.019 5.390 1.00 0.00 C ATOM 2025 C LEU B 37 -4.699 -11.009 3.980 1.00 0.00 C ATOM 2026 O LEU B 37 -5.437 -10.769 3.026 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.586 -9.920 6.227 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.554 -9.113 7.096 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.760 -8.303 8.125 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -6.338 -8.139 6.214 1.00 0.00 C ATOM 0 H LEU B 37 -4.748 -12.290 6.955 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.337 -10.811 5.352 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.834 -10.379 6.868 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -4.061 -9.239 5.557 1.00 0.00 H new ATOM 0 HG LEU B 37 -6.237 -9.796 7.601 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.448 -7.728 8.745 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -4.184 -8.980 8.755 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -4.082 -7.623 7.609 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -7.028 -7.564 6.831 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.645 -7.461 5.716 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.900 -8.698 5.466 1.00 0.00 H new ATOM 2042 N ILE B 38 -3.392 -11.249 3.849 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.741 -11.117 2.555 1.00 0.00 C ATOM 2044 C ILE B 38 -3.376 -12.092 1.555 1.00 0.00 C ATOM 2045 O ILE B 38 -3.792 -11.686 0.472 1.00 0.00 O ATOM 2046 CB ILE B 38 -1.202 -11.200 2.703 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -0.485 -10.289 1.696 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.621 -12.612 2.565 1.00 0.00 C ATOM 2049 CD1 ILE B 38 -0.583 -8.811 2.091 1.00 0.00 C ATOM 0 H ILE B 38 -2.777 -11.531 4.612 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.909 -10.127 2.132 1.00 0.00 H new ATOM 0 HB ILE B 38 -1.022 -10.867 3.725 1.00 0.00 H new ATOM 0 HG12 ILE B 38 0.564 -10.578 1.628 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.919 -10.430 0.706 1.00 0.00 H new ATOM 0 HG21 ILE B 38 0.462 -12.573 2.683 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.047 -13.257 3.334 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.865 -13.011 1.580 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -0.063 -8.202 1.352 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -1.631 -8.514 2.133 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -0.125 -8.665 3.069 1.00 0.00 H new ATOM 2061 N GLN B 39 -3.511 -13.361 1.955 1.00 0.00 N ATOM 2062 CA GLN B 39 -4.060 -14.426 1.131 1.00 0.00 C ATOM 2063 C GLN B 39 -5.454 -14.076 0.602 1.00 0.00 C ATOM 2064 O GLN B 39 -5.733 -14.263 -0.580 1.00 0.00 O ATOM 2065 CB GLN B 39 -4.070 -15.716 1.965 1.00 0.00 C ATOM 2066 CG GLN B 39 -4.613 -16.929 1.200 1.00 0.00 C ATOM 2067 CD GLN B 39 -4.378 -18.237 1.954 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -4.029 -19.247 1.354 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -4.559 -18.241 3.274 1.00 0.00 N ATOM 0 H GLN B 39 -3.233 -13.676 2.884 1.00 0.00 H new ATOM 0 HA GLN B 39 -3.437 -14.566 0.248 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -3.056 -15.931 2.301 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -4.674 -15.558 2.858 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -5.681 -16.799 1.026 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -4.135 -16.984 0.222 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -4.850 -17.388 3.751 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -4.407 -19.097 3.807 1.00 0.00 H new ATOM 2078 N LYS B 40 -6.348 -13.613 1.480 1.00 0.00 N ATOM 2079 CA LYS B 40 -7.723 -13.324 1.104 1.00 0.00 C ATOM 2080 C LYS B 40 -7.822 -12.008 0.334 1.00 0.00 C ATOM 2081 O LYS B 40 -8.428 -11.945 -0.733 1.00 0.00 O ATOM 2082 CB LYS B 40 -8.620 -13.270 2.338 1.00 0.00 C ATOM 2083 CG LYS B 40 -8.863 -14.700 2.833 1.00 0.00 C ATOM 2084 CD LYS B 40 -9.594 -14.759 4.176 1.00 0.00 C ATOM 2085 CE LYS B 40 -8.658 -14.479 5.340 1.00 0.00 C ATOM 2086 NZ LYS B 40 -8.411 -13.041 5.523 1.00 0.00 N ATOM 0 H LYS B 40 -6.136 -13.431 2.461 1.00 0.00 H new ATOM 0 HA LYS B 40 -8.061 -14.130 0.454 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -8.150 -12.674 3.121 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -9.567 -12.788 2.096 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -9.444 -15.242 2.087 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.906 -15.213 2.925 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -10.407 -14.032 4.180 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -10.046 -15.743 4.301 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -9.085 -14.891 6.254 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -7.710 -14.990 5.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -8.131 -12.859 6.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.649 -12.736 4.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -9.278 -12.509 5.306 1.00 0.00 H new ATOM 2100 N GLU B 41 -7.276 -10.940 0.917 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.505 -9.585 0.449 1.00 0.00 C ATOM 2102 C GLU B 41 -6.670 -9.216 -0.775 1.00 0.00 C ATOM 2103 O GLU B 41 -7.093 -8.342 -1.529 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.319 -8.593 1.600 1.00 0.00 C ATOM 2105 CG GLU B 41 -8.253 -8.876 2.789 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.742 -8.770 2.465 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -10.088 -8.010 1.534 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -10.519 -9.435 3.183 1.00 0.00 O ATOM 0 H GLU B 41 -6.662 -10.997 1.729 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.539 -9.530 0.108 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.284 -8.629 1.940 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.500 -7.582 1.235 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.047 -9.878 3.166 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.019 -8.178 3.593 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.505 -9.839 -0.985 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.789 -9.736 -2.249 1.00 0.00 C ATOM 2117 C LEU B 42 -5.046 -11.037 -2.997 1.00 0.00 C ATOM 2118 O LEU B 42 -4.334 -12.020 -2.804 1.00 0.00 O ATOM 2119 CB LEU B 42 -3.290 -9.466 -2.043 1.00 0.00 C ATOM 2120 CG LEU B 42 -2.980 -8.029 -1.589 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.469 -7.872 -1.405 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -3.422 -6.987 -2.622 1.00 0.00 C ATOM 0 H LEU B 42 -5.041 -10.421 -0.288 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.146 -8.885 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.902 -10.164 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.762 -9.666 -2.975 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.525 -7.863 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.245 -6.855 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.119 -8.576 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.965 -8.073 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.182 -5.988 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.901 -7.164 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.497 -7.066 -2.782 1.00 0.00 H new ATOM 2243 N ASP B 50 8.781 -11.589 -5.674 1.00 0.00 N ATOM 2244 CA ASP B 50 9.361 -11.943 -4.382 1.00 0.00 C ATOM 2245 C ASP B 50 8.671 -11.289 -3.185 1.00 0.00 C ATOM 2246 O ASP B 50 8.436 -11.960 -2.188 1.00 0.00 O ATOM 2247 CB ASP B 50 10.857 -11.604 -4.362 1.00 0.00 C ATOM 2248 CG ASP B 50 11.633 -12.297 -5.478 1.00 0.00 C ATOM 2249 OD1 ASP B 50 11.358 -11.953 -6.649 1.00 0.00 O ATOM 2250 OD2 ASP B 50 12.473 -13.159 -5.143 1.00 0.00 O ATOM 0 HA ASP B 50 9.209 -13.017 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP B 50 10.982 -10.525 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP B 50 11.278 -11.893 -3.399 1.00 0.00 H new ATOM 2255 N ALA B 51 8.362 -9.994 -3.276 1.00 0.00 N ATOM 2256 CA ALA B 51 7.684 -9.203 -2.255 1.00 0.00 C ATOM 2257 C ALA B 51 6.722 -10.013 -1.388 1.00 0.00 C ATOM 2258 O ALA B 51 6.882 -10.061 -0.171 1.00 0.00 O ATOM 2259 CB ALA B 51 6.921 -8.075 -2.945 1.00 0.00 C ATOM 0 H ALA B 51 8.590 -9.445 -4.105 1.00 0.00 H new ATOM 0 HA ALA B 51 8.450 -8.818 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.407 -7.472 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.620 -7.448 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA B 51 6.190 -8.498 -3.634 1.00 0.00 H new ATOM 2265 N GLU B 52 5.714 -10.635 -2.004 1.00 0.00 N ATOM 2266 CA GLU B 52 4.668 -11.325 -1.260 1.00 0.00 C ATOM 2267 C GLU B 52 5.241 -12.534 -0.516 1.00 0.00 C ATOM 2268 O GLU B 52 4.862 -12.810 0.620 1.00 0.00 O ATOM 2269 CB GLU B 52 3.519 -11.697 -2.209 1.00 0.00 C ATOM 2270 CG GLU B 52 2.269 -12.154 -1.439 1.00 0.00 C ATOM 2271 CD GLU B 52 1.101 -12.505 -2.359 1.00 0.00 C ATOM 2272 OE1 GLU B 52 1.173 -12.143 -3.554 1.00 0.00 O ATOM 2273 OE2 GLU B 52 0.159 -13.149 -1.851 1.00 0.00 O ATOM 0 H GLU B 52 5.604 -10.673 -3.017 1.00 0.00 H new ATOM 0 HA GLU B 52 4.260 -10.662 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU B 52 3.269 -10.838 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.844 -12.492 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.520 -13.023 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.961 -11.364 -0.754 1.00 0.00 H new ATOM 2280 N ILE B 53 6.175 -13.240 -1.151 1.00 0.00 N ATOM 2281 CA ILE B 53 6.820 -14.411 -0.589 1.00 0.00 C ATOM 2282 C ILE B 53 7.592 -13.943 0.649 1.00 0.00 C ATOM 2283 O ILE B 53 7.416 -14.462 1.749 1.00 0.00 O ATOM 2284 CB ILE B 53 7.760 -15.068 -1.625 1.00 0.00 C ATOM 2285 CG1 ILE B 53 7.105 -15.476 -2.962 1.00 0.00 C ATOM 2286 CG2 ILE B 53 8.386 -16.332 -1.015 1.00 0.00 C ATOM 2287 CD1 ILE B 53 6.485 -14.352 -3.803 1.00 0.00 C ATOM 0 H ILE B 53 6.506 -13.005 -2.087 1.00 0.00 H new ATOM 0 HA ILE B 53 6.086 -15.168 -0.314 1.00 0.00 H new ATOM 0 HB ILE B 53 8.491 -14.294 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE B 53 7.858 -15.978 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE B 53 6.327 -16.209 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE B 53 9.050 -16.797 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.956 -16.063 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE B 53 7.597 -17.033 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE B 53 6.060 -14.772 -4.715 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.700 -13.859 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE B 53 7.255 -13.625 -4.063 1.00 0.00 H new ATOM 2299 N VAL B 54 8.438 -12.930 0.455 1.00 0.00 N ATOM 2300 CA VAL B 54 9.254 -12.337 1.498 1.00 0.00 C ATOM 2301 C VAL B 54 8.369 -11.863 2.649 1.00 0.00 C ATOM 2302 O VAL B 54 8.697 -12.126 3.798 1.00 0.00 O ATOM 2303 CB VAL B 54 10.136 -11.225 0.904 1.00 0.00 C ATOM 2304 CG1 VAL B 54 10.917 -10.474 1.992 1.00 0.00 C ATOM 2305 CG2 VAL B 54 11.143 -11.845 -0.075 1.00 0.00 C ATOM 0 H VAL B 54 8.573 -12.493 -0.457 1.00 0.00 H new ATOM 0 HA VAL B 54 9.932 -13.081 1.917 1.00 0.00 H new ATOM 0 HB VAL B 54 9.480 -10.518 0.397 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.527 -9.697 1.531 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.218 -10.018 2.693 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.561 -11.173 2.525 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.770 -11.060 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.769 -12.564 0.454 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.606 -12.352 -0.877 1.00 0.00 H new ATOM 2315 N LYS B 55 7.245 -11.201 2.365 1.00 0.00 N ATOM 2316 CA LYS B 55 6.266 -10.838 3.383 1.00 0.00 C ATOM 2317 C LYS B 55 5.793 -12.077 4.147 1.00 0.00 C ATOM 2318 O LYS B 55 5.867 -12.108 5.375 1.00 0.00 O ATOM 2319 CB LYS B 55 5.097 -10.067 2.754 1.00 0.00 C ATOM 2320 CG LYS B 55 5.097 -8.572 3.109 1.00 0.00 C ATOM 2321 CD LYS B 55 6.243 -7.742 2.508 1.00 0.00 C ATOM 2322 CE LYS B 55 7.591 -7.804 3.241 1.00 0.00 C ATOM 2323 NZ LYS B 55 7.462 -7.503 4.678 1.00 0.00 N ATOM 0 H LYS B 55 6.991 -10.903 1.423 1.00 0.00 H new ATOM 0 HA LYS B 55 6.741 -10.176 4.107 1.00 0.00 H new ATOM 0 HB2 LYS B 55 5.139 -10.176 1.670 1.00 0.00 H new ATOM 0 HB3 LYS B 55 4.158 -10.512 3.083 1.00 0.00 H new ATOM 0 HG2 LYS B 55 4.151 -8.140 2.783 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.134 -8.475 4.194 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.398 -8.069 1.480 1.00 0.00 H new ATOM 0 HD3 LYS B 55 5.925 -6.700 2.467 1.00 0.00 H new ATOM 0 HE2 LYS B 55 8.023 -8.797 3.118 1.00 0.00 H new ATOM 0 HE3 LYS B 55 8.283 -7.096 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 8.265 -6.916 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 6.574 -6.989 4.847 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.457 -8.391 5.220 1.00 0.00 H new ATOM 2337 N LEU B 56 5.315 -13.101 3.434 1.00 0.00 N ATOM 2338 CA LEU B 56 4.862 -14.336 4.061 1.00 0.00 C ATOM 2339 C LEU B 56 5.942 -14.927 4.977 1.00 0.00 C ATOM 2340 O LEU B 56 5.613 -15.390 6.067 1.00 0.00 O ATOM 2341 CB LEU B 56 4.396 -15.352 3.005 1.00 0.00 C ATOM 2342 CG LEU B 56 3.072 -14.966 2.321 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.879 -15.824 1.066 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.871 -15.167 3.253 1.00 0.00 C ATOM 0 H LEU B 56 5.233 -13.094 2.417 1.00 0.00 H new ATOM 0 HA LEU B 56 4.003 -14.097 4.688 1.00 0.00 H new ATOM 0 HB2 LEU B 56 5.171 -15.455 2.246 1.00 0.00 H new ATOM 0 HB3 LEU B 56 4.280 -16.327 3.477 1.00 0.00 H new ATOM 0 HG LEU B 56 3.127 -13.909 2.059 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.942 -15.552 0.580 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.707 -15.654 0.378 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.850 -16.877 1.346 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.956 -14.884 2.733 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.811 -16.214 3.548 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.991 -14.546 4.141 1.00 0.00 H new ATOM 2356 N MET B 57 7.217 -14.913 4.567 1.00 0.00 N ATOM 2357 CA MET B 57 8.291 -15.394 5.435 1.00 0.00 C ATOM 2358 C MET B 57 8.448 -14.448 6.635 1.00 0.00 C ATOM 2359 O MET B 57 8.281 -14.842 7.791 1.00 0.00 O ATOM 2360 CB MET B 57 9.626 -15.513 4.679 1.00 0.00 C ATOM 2361 CG MET B 57 9.655 -16.386 3.415 1.00 0.00 C ATOM 2362 SD MET B 57 8.961 -18.062 3.466 1.00 0.00 S ATOM 2363 CE MET B 57 7.267 -17.764 2.906 1.00 0.00 C ATOM 0 H MET B 57 7.524 -14.579 3.653 1.00 0.00 H new ATOM 0 HA MET B 57 8.021 -16.391 5.784 1.00 0.00 H new ATOM 0 HB2 MET B 57 9.944 -14.508 4.400 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.371 -15.902 5.373 1.00 0.00 H new ATOM 0 HG2 MET B 57 9.132 -15.840 2.630 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.696 -16.473 3.103 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.839 -18.694 2.532 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.668 -17.397 3.739 1.00 0.00 H new ATOM 0 HE3 MET B 57 7.273 -17.021 2.109 1.00 0.00 H new ATOM 2373 N ASP B 58 8.777 -13.187 6.335 1.00 0.00 N ATOM 2374 CA ASP B 58 9.035 -12.092 7.265 1.00 0.00 C ATOM 2375 C ASP B 58 8.020 -12.074 8.398 1.00 0.00 C ATOM 2376 O ASP B 58 8.397 -11.897 9.551 1.00 0.00 O ATOM 2377 CB ASP B 58 8.999 -10.756 6.511 1.00 0.00 C ATOM 2378 CG ASP B 58 9.021 -9.559 7.455 1.00 0.00 C ATOM 2379 OD1 ASP B 58 10.043 -9.401 8.154 1.00 0.00 O ATOM 2380 OD2 ASP B 58 8.012 -8.817 7.455 1.00 0.00 O ATOM 0 H ASP B 58 8.876 -12.888 5.365 1.00 0.00 H new ATOM 0 HA ASP B 58 10.022 -12.243 7.702 1.00 0.00 H new ATOM 0 HB2 ASP B 58 9.853 -10.699 5.836 1.00 0.00 H new ATOM 0 HB3 ASP B 58 8.101 -10.713 5.894 1.00 0.00 H new ATOM 2385 N ASP B 59 6.743 -12.261 8.062 1.00 0.00 N ATOM 2386 CA ASP B 59 5.649 -12.356 9.014 1.00 0.00 C ATOM 2387 C ASP B 59 6.034 -13.152 10.264 1.00 0.00 C ATOM 2388 O ASP B 59 5.792 -12.690 11.378 1.00 0.00 O ATOM 2389 CB ASP B 59 4.456 -13.019 8.323 1.00 0.00 C ATOM 2390 CG ASP B 59 3.280 -13.135 9.274 1.00 0.00 C ATOM 2391 OD1 ASP B 59 2.669 -12.079 9.535 1.00 0.00 O ATOM 2392 OD2 ASP B 59 3.025 -14.268 9.734 1.00 0.00 O ATOM 0 H ASP B 59 6.439 -12.352 7.093 1.00 0.00 H new ATOM 0 HA ASP B 59 5.394 -11.349 9.343 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.166 -12.436 7.449 1.00 0.00 H new ATOM 0 HB3 ASP B 59 4.740 -14.009 7.966 1.00 0.00 H new ATOM 2397 N LEU B 60 6.631 -14.335 10.093 1.00 0.00 N ATOM 2398 CA LEU B 60 6.975 -15.193 11.218 1.00 0.00 C ATOM 2399 C LEU B 60 7.998 -14.493 12.116 1.00 0.00 C ATOM 2400 O LEU B 60 7.824 -14.441 13.331 1.00 0.00 O ATOM 2401 CB LEU B 60 7.513 -16.548 10.730 1.00 0.00 C ATOM 2402 CG LEU B 60 6.420 -17.528 10.267 1.00 0.00 C ATOM 2403 CD1 LEU B 60 5.657 -17.047 9.026 1.00 0.00 C ATOM 2404 CD2 LEU B 60 7.069 -18.882 9.954 1.00 0.00 C ATOM 0 H LEU B 60 6.884 -14.716 9.182 1.00 0.00 H new ATOM 0 HA LEU B 60 6.073 -15.384 11.799 1.00 0.00 H new ATOM 0 HB2 LEU B 60 8.205 -16.376 9.906 1.00 0.00 H new ATOM 0 HB3 LEU B 60 8.084 -17.011 11.535 1.00 0.00 H new ATOM 0 HG LEU B 60 5.696 -17.605 11.078 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.902 -17.785 8.754 1.00 0.00 H new ATOM 0 HD12 LEU B 60 5.172 -16.095 9.243 1.00 0.00 H new ATOM 0 HD13 LEU B 60 6.354 -16.919 8.198 1.00 0.00 H new ATOM 0 HD21 LEU B 60 6.304 -19.585 9.625 1.00 0.00 H new ATOM 0 HD22 LEU B 60 7.810 -18.756 9.165 1.00 0.00 H new ATOM 0 HD23 LEU B 60 7.555 -19.268 10.850 1.00 0.00 H new ATOM 2416 N ASP B 61 9.062 -13.949 11.517 1.00 0.00 N ATOM 2417 CA ASP B 61 10.114 -13.257 12.251 1.00 0.00 C ATOM 2418 C ASP B 61 9.555 -12.021 12.955 1.00 0.00 C ATOM 2419 O ASP B 61 9.849 -11.772 14.119 1.00 0.00 O ATOM 2420 CB ASP B 61 11.253 -12.873 11.302 1.00 0.00 C ATOM 2421 CG ASP B 61 12.353 -12.131 12.055 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.173 -12.827 12.691 1.00 0.00 O ATOM 2423 OD2 ASP B 61 12.347 -10.883 11.990 1.00 0.00 O ATOM 0 H ASP B 61 9.214 -13.979 10.509 1.00 0.00 H new ATOM 0 HA ASP B 61 10.509 -13.929 13.013 1.00 0.00 H new ATOM 0 HB2 ASP B 61 11.664 -13.769 10.837 1.00 0.00 H new ATOM 0 HB3 ASP B 61 10.868 -12.245 10.498 1.00 0.00 H new ATOM 2428 N ARG B 62 8.747 -11.241 12.241 1.00 0.00 N ATOM 2429 CA ARG B 62 8.079 -10.070 12.779 1.00 0.00 C ATOM 2430 C ARG B 62 7.258 -10.478 14.008 1.00 0.00 C ATOM 2431 O ARG B 62 7.398 -9.902 15.086 1.00 0.00 O ATOM 2432 CB ARG B 62 7.227 -9.447 11.661 1.00 0.00 C ATOM 2433 CG ARG B 62 6.575 -8.123 12.073 1.00 0.00 C ATOM 2434 CD ARG B 62 5.740 -7.531 10.930 1.00 0.00 C ATOM 2435 NE ARG B 62 6.549 -7.302 9.725 1.00 0.00 N ATOM 2436 CZ ARG B 62 7.033 -6.131 9.285 1.00 0.00 C ATOM 2437 NH1 ARG B 62 6.891 -4.996 9.981 1.00 0.00 N ATOM 2438 NH2 ARG B 62 7.685 -6.116 8.119 1.00 0.00 N ATOM 0 H ARG B 62 8.538 -11.412 11.257 1.00 0.00 H new ATOM 0 HA ARG B 62 8.791 -9.315 13.114 1.00 0.00 H new ATOM 0 HB2 ARG B 62 7.853 -9.280 10.785 1.00 0.00 H new ATOM 0 HB3 ARG B 62 6.450 -10.153 11.368 1.00 0.00 H new ATOM 0 HG2 ARG B 62 5.940 -8.284 12.944 1.00 0.00 H new ATOM 0 HG3 ARG B 62 7.347 -7.412 12.368 1.00 0.00 H new ATOM 0 HD2 ARG B 62 4.918 -8.206 10.693 1.00 0.00 H new ATOM 0 HD3 ARG B 62 5.296 -6.590 11.254 1.00 0.00 H new ATOM 0 HE ARG B 62 6.766 -8.124 9.161 1.00 0.00 H new ATOM 0 HH11 ARG B 62 6.402 -5.004 10.876 1.00 0.00 H new ATOM 0 HH12 ARG B 62 7.272 -4.123 9.616 1.00 0.00 H new ATOM 0 HH21 ARG B 62 7.803 -6.980 7.590 1.00 0.00 H new ATOM 0 HH22 ARG B 62 8.065 -5.241 7.758 1.00 0.00 H new ATOM 2452 N ASN B 63 6.416 -11.502 13.859 1.00 0.00 N ATOM 2453 CA ASN B 63 5.522 -11.956 14.915 1.00 0.00 C ATOM 2454 C ASN B 63 6.248 -12.918 15.858 1.00 0.00 C ATOM 2455 O ASN B 63 5.807 -14.052 16.053 1.00 0.00 O ATOM 2456 CB ASN B 63 4.278 -12.623 14.317 1.00 0.00 C ATOM 2457 CG ASN B 63 3.339 -11.659 13.604 1.00 0.00 C ATOM 2458 OD1 ASN B 63 2.239 -11.400 14.081 1.00 0.00 O ATOM 2459 ND2 ASN B 63 3.725 -11.168 12.433 1.00 0.00 N ATOM 0 H ASN B 63 6.338 -12.040 12.996 1.00 0.00 H new ATOM 0 HA ASN B 63 5.202 -11.088 15.491 1.00 0.00 H new ATOM 0 HB2 ASN B 63 4.594 -13.393 13.613 1.00 0.00 H new ATOM 0 HB3 ASN B 63 3.730 -13.125 15.114 1.00 0.00 H new ATOM 0 HD21 ASN B 63 3.101 -10.558 11.905 1.00 0.00 H new ATOM 0 HD22 ASN B 63 4.646 -11.401 12.061 1.00 0.00 H new ATOM 2517 N GLU B 67 1.570 -9.394 18.774 1.00 0.00 N ATOM 2518 CA GLU B 67 0.619 -8.901 17.792 1.00 0.00 C ATOM 2519 C GLU B 67 1.197 -7.643 17.146 1.00 0.00 C ATOM 2520 O GLU B 67 1.664 -6.752 17.855 1.00 0.00 O ATOM 2521 CB GLU B 67 -0.730 -8.600 18.458 1.00 0.00 C ATOM 2522 CG GLU B 67 -1.260 -9.776 19.292 1.00 0.00 C ATOM 2523 CD GLU B 67 -2.770 -9.940 19.135 1.00 0.00 C ATOM 2524 OE1 GLU B 67 -3.168 -10.450 18.062 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -3.497 -9.562 20.080 1.00 0.00 O ATOM 0 HA GLU B 67 0.448 -9.659 17.027 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -0.626 -7.724 19.099 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -1.461 -8.348 17.690 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -0.760 -10.695 18.986 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -1.018 -9.616 20.343 1.00 0.00 H new ATOM 2532 N VAL B 68 1.158 -7.541 15.818 1.00 0.00 N ATOM 2533 CA VAL B 68 1.582 -6.330 15.139 1.00 0.00 C ATOM 2534 C VAL B 68 0.451 -5.309 15.240 1.00 0.00 C ATOM 2535 O VAL B 68 -0.724 -5.671 15.152 1.00 0.00 O ATOM 2536 CB VAL B 68 2.001 -6.596 13.681 1.00 0.00 C ATOM 2537 CG1 VAL B 68 2.987 -7.765 13.588 1.00 0.00 C ATOM 2538 CG2 VAL B 68 0.835 -6.806 12.714 1.00 0.00 C ATOM 0 H VAL B 68 0.837 -8.284 15.197 1.00 0.00 H new ATOM 0 HA VAL B 68 2.474 -5.933 15.623 1.00 0.00 H new ATOM 0 HB VAL B 68 2.494 -5.678 13.361 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.263 -7.926 12.546 1.00 0.00 H new ATOM 0 HG12 VAL B 68 3.881 -7.534 14.168 1.00 0.00 H new ATOM 0 HG13 VAL B 68 2.520 -8.667 13.984 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.222 -6.987 11.711 1.00 0.00 H new ATOM 0 HG22 VAL B 68 0.246 -7.665 13.036 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.205 -5.917 12.705 1.00 0.00 H new ATOM 2548 N ASN B 69 0.810 -4.041 15.447 1.00 0.00 N ATOM 2549 CA ASN B 69 -0.134 -2.932 15.480 1.00 0.00 C ATOM 2550 C ASN B 69 -0.456 -2.448 14.067 1.00 0.00 C ATOM 2551 O ASN B 69 0.177 -2.864 13.096 1.00 0.00 O ATOM 2552 CB ASN B 69 0.422 -1.788 16.342 1.00 0.00 C ATOM 2553 CG ASN B 69 1.661 -1.148 15.721 1.00 0.00 C ATOM 2554 OD1 ASN B 69 1.586 -0.501 14.679 1.00 0.00 O ATOM 2555 ND2 ASN B 69 2.823 -1.337 16.339 1.00 0.00 N ATOM 0 H ASN B 69 1.778 -3.756 15.598 1.00 0.00 H new ATOM 0 HA ASN B 69 -1.064 -3.281 15.930 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.349 -1.029 16.476 1.00 0.00 H new ATOM 0 HB3 ASN B 69 0.670 -2.169 17.333 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.678 -0.941 15.949 1.00 0.00 H new ATOM 0 HD22 ASN B 69 2.859 -1.878 17.203 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.424 -1.534 13.976 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.820 -0.889 12.733 1.00 0.00 C ATOM 2564 C PHE B 70 -0.618 -0.445 11.892 1.00 0.00 C ATOM 2565 O PHE B 70 -0.463 -0.911 10.768 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.771 0.277 13.033 1.00 0.00 C ATOM 2567 CG PHE B 70 -3.217 1.039 11.800 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -4.018 0.401 10.835 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.810 2.373 11.598 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.431 1.098 9.687 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.231 3.072 10.455 1.00 0.00 C ATOM 2572 CZ PHE B 70 -4.044 2.437 9.500 1.00 0.00 C ATOM 0 H PHE B 70 -1.962 -1.219 14.783 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.349 -1.624 12.126 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.651 -0.108 13.548 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -2.278 0.968 13.717 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.316 -0.627 10.977 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.174 2.858 12.323 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -5.046 0.605 8.948 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -2.930 4.099 10.309 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.371 2.977 8.624 1.00 0.00 H new ATOM 2582 N GLN B 71 0.252 0.434 12.403 1.00 0.00 N ATOM 2583 CA GLN B 71 1.346 0.951 11.587 1.00 0.00 C ATOM 2584 C GLN B 71 2.291 -0.176 11.162 1.00 0.00 C ATOM 2585 O GLN B 71 2.809 -0.143 10.049 1.00 0.00 O ATOM 2586 CB GLN B 71 2.104 2.088 12.285 1.00 0.00 C ATOM 2587 CG GLN B 71 2.968 2.901 11.296 1.00 0.00 C ATOM 2588 CD GLN B 71 2.144 3.837 10.412 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.416 4.682 10.919 1.00 0.00 O ATOM 2590 NE2 GLN B 71 2.268 3.718 9.091 1.00 0.00 N ATOM 0 H GLN B 71 0.219 0.793 13.357 1.00 0.00 H new ATOM 0 HA GLN B 71 0.904 1.378 10.687 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.391 2.752 12.774 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.741 1.673 13.066 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.697 3.487 11.856 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.530 2.214 10.663 1.00 0.00 H new ATOM 0 HE21 GLN B 71 2.882 3.004 8.699 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.749 4.341 8.472 1.00 0.00 H new ATOM 2599 N GLU B 72 2.523 -1.182 12.010 1.00 0.00 N ATOM 2600 CA GLU B 72 3.302 -2.349 11.606 1.00 0.00 C ATOM 2601 C GLU B 72 2.635 -3.079 10.434 1.00 0.00 C ATOM 2602 O GLU B 72 3.296 -3.383 9.444 1.00 0.00 O ATOM 2603 CB GLU B 72 3.533 -3.287 12.792 1.00 0.00 C ATOM 2604 CG GLU B 72 4.636 -2.776 13.729 1.00 0.00 C ATOM 2605 CD GLU B 72 6.021 -2.879 13.092 1.00 0.00 C ATOM 2606 OE1 GLU B 72 6.307 -3.952 12.515 1.00 0.00 O ATOM 2607 OE2 GLU B 72 6.765 -1.879 13.187 1.00 0.00 O ATOM 0 H GLU B 72 2.185 -1.210 12.972 1.00 0.00 H new ATOM 0 HA GLU B 72 4.277 -2.003 11.263 1.00 0.00 H new ATOM 0 HB2 GLU B 72 2.605 -3.397 13.352 1.00 0.00 H new ATOM 0 HB3 GLU B 72 3.802 -4.277 12.423 1.00 0.00 H new ATOM 0 HG2 GLU B 72 4.435 -1.738 13.994 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.619 -3.350 14.655 1.00 0.00 H new ATOM 2614 N TYR B 73 1.328 -3.338 10.519 1.00 0.00 N ATOM 2615 CA TYR B 73 0.567 -3.883 9.396 1.00 0.00 C ATOM 2616 C TYR B 73 0.771 -3.013 8.147 1.00 0.00 C ATOM 2617 O TYR B 73 1.109 -3.514 7.073 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.911 -4.037 9.793 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.922 -3.809 8.683 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.247 -4.843 7.786 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.578 -2.566 8.579 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.249 -4.647 6.819 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.544 -2.356 7.582 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.907 -3.409 6.728 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.927 -3.243 5.839 1.00 0.00 O ATOM 0 H TYR B 73 0.773 -3.177 11.360 1.00 0.00 H new ATOM 0 HA TYR B 73 0.932 -4.879 9.143 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -1.058 -5.041 10.191 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -1.125 -3.339 10.602 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.727 -5.788 7.840 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.337 -1.771 9.269 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.513 -5.449 6.146 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -4.007 -1.386 7.472 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.547 -2.563 6.176 1.00 0.00 H new ATOM 2635 N ILE B 74 0.613 -1.696 8.288 1.00 0.00 N ATOM 2636 CA ILE B 74 0.859 -0.768 7.195 1.00 0.00 C ATOM 2637 C ILE B 74 2.299 -0.906 6.681 1.00 0.00 C ATOM 2638 O ILE B 74 2.526 -0.831 5.478 1.00 0.00 O ATOM 2639 CB ILE B 74 0.546 0.676 7.623 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -0.915 0.917 8.049 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.882 1.626 6.483 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -1.928 0.829 6.902 1.00 0.00 C ATOM 0 H ILE B 74 0.314 -1.251 9.156 1.00 0.00 H new ATOM 0 HA ILE B 74 0.189 -1.018 6.372 1.00 0.00 H new ATOM 0 HB ILE B 74 1.161 0.861 8.504 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.184 0.187 8.813 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -0.989 1.902 8.509 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.661 2.650 6.785 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.941 1.541 6.238 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.286 1.369 5.608 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -2.931 1.011 7.288 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.688 1.577 6.147 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -1.886 -0.164 6.455 1.00 0.00 H new ATOM 2654 N THR B 75 3.278 -1.100 7.566 1.00 0.00 N ATOM 2655 CA THR B 75 4.670 -1.288 7.178 1.00 0.00 C ATOM 2656 C THR B 75 4.819 -2.570 6.363 1.00 0.00 C ATOM 2657 O THR B 75 5.525 -2.582 5.360 1.00 0.00 O ATOM 2658 CB THR B 75 5.595 -1.252 8.404 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.396 -0.040 9.103 1.00 0.00 O ATOM 2660 CG2 THR B 75 7.071 -1.322 8.006 1.00 0.00 C ATOM 0 H THR B 75 3.124 -1.131 8.574 1.00 0.00 H new ATOM 0 HA THR B 75 4.978 -0.460 6.539 1.00 0.00 H new ATOM 0 HB THR B 75 5.352 -2.116 9.022 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.550 -0.082 9.597 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.691 -1.294 8.902 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.258 -2.249 7.464 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.316 -0.473 7.368 1.00 0.00 H new ATOM 2668 N PHE B 76 4.135 -3.643 6.761 1.00 0.00 N ATOM 2669 CA PHE B 76 4.090 -4.881 5.991 1.00 0.00 C ATOM 2670 C PHE B 76 3.624 -4.581 4.557 1.00 0.00 C ATOM 2671 O PHE B 76 4.308 -4.913 3.587 1.00 0.00 O ATOM 2672 CB PHE B 76 3.187 -5.889 6.719 1.00 0.00 C ATOM 2673 CG PHE B 76 3.325 -7.330 6.279 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.330 -8.136 6.848 1.00 0.00 C ATOM 2675 CD2 PHE B 76 2.341 -7.915 5.458 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.340 -9.520 6.613 1.00 0.00 C ATOM 2677 CE2 PHE B 76 2.345 -9.302 5.234 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.336 -10.106 5.822 1.00 0.00 C ATOM 0 H PHE B 76 3.597 -3.676 7.627 1.00 0.00 H new ATOM 0 HA PHE B 76 5.081 -5.328 5.912 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.398 -5.833 7.787 1.00 0.00 H new ATOM 0 HB3 PHE B 76 2.149 -5.584 6.582 1.00 0.00 H new ATOM 0 HD1 PHE B 76 5.094 -7.689 7.466 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.583 -7.297 5.000 1.00 0.00 H new ATOM 0 HE1 PHE B 76 5.119 -10.135 7.040 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.586 -9.750 4.610 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.327 -11.175 5.666 1.00 0.00 H new ATOM 2688 N LEU B 77 2.479 -3.901 4.420 1.00 0.00 N ATOM 2689 CA LEU B 77 1.945 -3.526 3.111 1.00 0.00 C ATOM 2690 C LEU B 77 2.886 -2.581 2.349 1.00 0.00 C ATOM 2691 O LEU B 77 3.073 -2.721 1.143 1.00 0.00 O ATOM 2692 CB LEU B 77 0.557 -2.886 3.250 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.519 -3.795 3.869 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -1.849 -3.034 3.859 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.684 -5.119 3.111 1.00 0.00 C ATOM 0 H LEU B 77 1.904 -3.599 5.206 1.00 0.00 H new ATOM 0 HA LEU B 77 1.858 -4.445 2.531 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.647 -1.987 3.860 1.00 0.00 H new ATOM 0 HB3 LEU B 77 0.219 -2.569 2.263 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.209 -4.047 4.883 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.629 -3.659 4.294 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.749 -2.119 4.443 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.116 -2.782 2.833 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.456 -5.720 3.592 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -0.973 -4.914 2.080 1.00 0.00 H new ATOM 0 HD23 LEU B 77 0.260 -5.664 3.122 1.00 0.00 H new ATOM 2707 N GLY B 78 3.469 -1.595 3.027 1.00 0.00 N ATOM 2708 CA GLY B 78 4.338 -0.614 2.398 1.00 0.00 C ATOM 2709 C GLY B 78 5.616 -1.274 1.886 1.00 0.00 C ATOM 2710 O GLY B 78 6.057 -1.005 0.770 1.00 0.00 O ATOM 0 H GLY B 78 3.349 -1.457 4.030 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.814 -0.134 1.571 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.589 0.169 3.114 1.00 0.00 H new ATOM 2714 N ALA B 79 6.192 -2.174 2.685 1.00 0.00 N ATOM 2715 CA ALA B 79 7.338 -2.973 2.293 1.00 0.00 C ATOM 2716 C ALA B 79 6.975 -3.850 1.091 1.00 0.00 C ATOM 2717 O ALA B 79 7.722 -3.901 0.119 1.00 0.00 O ATOM 2718 CB ALA B 79 7.808 -3.814 3.481 1.00 0.00 C ATOM 0 H ALA B 79 5.866 -2.365 3.633 1.00 0.00 H new ATOM 0 HA ALA B 79 8.159 -2.321 1.994 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.669 -4.413 3.185 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.090 -3.157 4.303 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.001 -4.472 3.803 1.00 0.00 H new ATOM 2724 N LEU B 80 5.822 -4.529 1.136 1.00 0.00 N ATOM 2725 CA LEU B 80 5.326 -5.301 -0.001 1.00 0.00 C ATOM 2726 C LEU B 80 5.324 -4.420 -1.255 1.00 0.00 C ATOM 2727 O LEU B 80 5.914 -4.768 -2.283 1.00 0.00 O ATOM 2728 CB LEU B 80 3.912 -5.821 0.309 1.00 0.00 C ATOM 2729 CG LEU B 80 3.290 -6.656 -0.817 1.00 0.00 C ATOM 2730 CD1 LEU B 80 3.748 -8.106 -0.713 1.00 0.00 C ATOM 2731 CD2 LEU B 80 1.765 -6.603 -0.703 1.00 0.00 C ATOM 0 H LEU B 80 5.215 -4.557 1.955 1.00 0.00 H new ATOM 0 HA LEU B 80 5.976 -6.157 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.949 -6.425 1.216 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.262 -4.971 0.518 1.00 0.00 H new ATOM 0 HG LEU B 80 3.608 -6.249 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU B 80 3.299 -8.688 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU B 80 4.834 -8.151 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU B 80 3.439 -8.517 0.248 1.00 0.00 H new ATOM 0 HD21 LEU B 80 1.320 -7.196 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU B 80 1.458 -7.006 0.262 1.00 0.00 H new ATOM 0 HD23 LEU B 80 1.430 -5.569 -0.788 1.00 0.00 H new ATOM 2743 N ALA B 81 4.656 -3.268 -1.142 1.00 0.00 N ATOM 2744 CA ALA B 81 4.540 -2.300 -2.212 1.00 0.00 C ATOM 2745 C ALA B 81 5.913 -1.927 -2.759 1.00 0.00 C ATOM 2746 O ALA B 81 6.108 -2.027 -3.966 1.00 0.00 O ATOM 2747 CB ALA B 81 3.765 -1.069 -1.738 1.00 0.00 C ATOM 0 H ALA B 81 4.177 -2.987 -0.287 1.00 0.00 H new ATOM 0 HA ALA B 81 3.978 -2.751 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.687 -0.351 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.766 -1.368 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA B 81 4.289 -0.609 -0.900 1.00 0.00 H new ATOM 2753 N MET B 82 6.849 -1.524 -1.894 1.00 0.00 N ATOM 2754 CA MET B 82 8.232 -1.243 -2.266 1.00 0.00 C ATOM 2755 C MET B 82 8.838 -2.395 -3.063 1.00 0.00 C ATOM 2756 O MET B 82 9.393 -2.184 -4.139 1.00 0.00 O ATOM 2757 CB MET B 82 9.088 -1.032 -1.009 1.00 0.00 C ATOM 2758 CG MET B 82 9.195 0.417 -0.547 1.00 0.00 C ATOM 2759 SD MET B 82 10.137 0.545 0.995 1.00 0.00 S ATOM 2760 CE MET B 82 9.889 2.282 1.395 1.00 0.00 C ATOM 0 H MET B 82 6.660 -1.383 -0.902 1.00 0.00 H new ATOM 0 HA MET B 82 8.224 -0.342 -2.879 1.00 0.00 H new ATOM 0 HB2 MET B 82 8.671 -1.628 -0.197 1.00 0.00 H new ATOM 0 HB3 MET B 82 10.091 -1.413 -1.201 1.00 0.00 H new ATOM 0 HG2 MET B 82 9.677 1.014 -1.321 1.00 0.00 H new ATOM 0 HG3 MET B 82 8.197 0.830 -0.402 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.409 2.520 2.323 1.00 0.00 H new ATOM 0 HE2 MET B 82 10.283 2.901 0.589 1.00 0.00 H new ATOM 0 HE3 MET B 82 8.824 2.479 1.516 1.00 0.00 H new ATOM 2770 N ILE B 83 8.809 -3.603 -2.497 1.00 0.00 N ATOM 2771 CA ILE B 83 9.554 -4.718 -3.055 1.00 0.00 C ATOM 2772 C ILE B 83 9.038 -5.058 -4.456 1.00 0.00 C ATOM 2773 O ILE B 83 9.864 -5.213 -5.357 1.00 0.00 O ATOM 2774 CB ILE B 83 9.610 -5.916 -2.091 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.311 -5.542 -0.769 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.408 -7.064 -2.736 1.00 0.00 C ATOM 2777 CD1 ILE B 83 9.913 -6.493 0.365 1.00 0.00 C ATOM 0 H ILE B 83 8.278 -3.827 -1.656 1.00 0.00 H new ATOM 0 HA ILE B 83 10.595 -4.420 -3.178 1.00 0.00 H new ATOM 0 HB ILE B 83 8.583 -6.218 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.392 -5.571 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE B 83 10.052 -4.519 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.446 -7.911 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.922 -7.369 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.422 -6.726 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.425 -6.201 1.282 1.00 0.00 H new ATOM 0 HD12 ILE B 83 8.835 -6.444 0.520 1.00 0.00 H new ATOM 0 HD13 ILE B 83 10.195 -7.512 0.101 1.00 0.00 H new ATOM 2789 N TYR B 84 7.712 -5.171 -4.662 1.00 0.00 N ATOM 2790 CA TYR B 84 7.202 -5.492 -5.998 1.00 0.00 C ATOM 2791 C TYR B 84 7.063 -4.278 -6.926 1.00 0.00 C ATOM 2792 O TYR B 84 7.454 -4.366 -8.090 1.00 0.00 O ATOM 2793 CB TYR B 84 6.093 -6.563 -6.050 1.00 0.00 C ATOM 2794 CG TYR B 84 4.803 -6.471 -5.256 1.00 0.00 C ATOM 2795 CD1 TYR B 84 4.195 -5.245 -4.934 1.00 0.00 C ATOM 2796 CD2 TYR B 84 4.090 -7.670 -5.055 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.874 -5.222 -4.446 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.795 -7.654 -4.516 1.00 0.00 C ATOM 2799 CZ TYR B 84 2.167 -6.425 -4.259 1.00 0.00 C ATOM 2800 OH TYR B 84 0.868 -6.404 -3.851 1.00 0.00 O ATOM 0 H TYR B 84 6.999 -5.049 -3.943 1.00 0.00 H new ATOM 0 HA TYR B 84 8.010 -6.045 -6.476 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.803 -6.655 -7.097 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.562 -7.505 -5.766 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.740 -4.322 -5.061 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.546 -8.613 -5.319 1.00 0.00 H new ATOM 0 HE1 TYR B 84 2.402 -4.279 -4.215 1.00 0.00 H new ATOM 0 HE2 TYR B 84 2.285 -8.581 -4.300 1.00 0.00 H new ATOM 0 HH TYR B 84 0.534 -7.322 -3.774 1.00 0.00 H new ATOM 2810 N ASN B 85 6.614 -3.117 -6.440 1.00 0.00 N ATOM 2811 CA ASN B 85 6.679 -1.884 -7.227 1.00 0.00 C ATOM 2812 C ASN B 85 8.087 -1.322 -7.073 1.00 0.00 C ATOM 2813 O ASN B 85 8.271 -0.253 -6.491 1.00 0.00 O ATOM 2814 CB ASN B 85 5.636 -0.829 -6.818 1.00 0.00 C ATOM 2815 CG ASN B 85 4.213 -1.359 -6.800 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.485 -1.274 -7.782 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.803 -1.887 -5.655 1.00 0.00 N ATOM 0 H ASN B 85 6.205 -3.006 -5.512 1.00 0.00 H new ATOM 0 HA ASN B 85 6.448 -2.127 -8.264 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.886 -0.448 -5.828 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.693 0.013 -7.508 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.850 -2.241 -5.569 1.00 0.00 H new ATOM 0 HD22 ASN B 85 4.440 -1.939 -4.860 1.00 0.00 H new ATOM 2824 N GLU B 86 9.072 -2.056 -7.598 1.00 0.00 N ATOM 2825 CA GLU B 86 10.491 -1.751 -7.465 1.00 0.00 C ATOM 2826 C GLU B 86 10.800 -0.264 -7.683 1.00 0.00 C ATOM 2827 O GLU B 86 11.616 0.311 -6.962 1.00 0.00 O ATOM 2828 CB GLU B 86 11.349 -2.700 -8.324 1.00 0.00 C ATOM 2829 CG GLU B 86 10.762 -3.125 -9.683 1.00 0.00 C ATOM 2830 CD GLU B 86 10.475 -1.949 -10.608 1.00 0.00 C ATOM 2831 OE1 GLU B 86 11.423 -1.525 -11.301 1.00 0.00 O ATOM 2832 OE2 GLU B 86 9.317 -1.476 -10.581 1.00 0.00 O ATOM 0 H GLU B 86 8.895 -2.901 -8.141 1.00 0.00 H new ATOM 0 HA GLU B 86 10.773 -1.940 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU B 86 12.311 -2.220 -8.504 1.00 0.00 H new ATOM 0 HB3 GLU B 86 11.546 -3.600 -7.742 1.00 0.00 H new ATOM 0 HG2 GLU B 86 11.458 -3.804 -10.175 1.00 0.00 H new ATOM 0 HG3 GLU B 86 9.839 -3.680 -9.515 1.00 0.00 H new ATOM 2839 N ALA B 87 10.095 0.353 -8.635 1.00 0.00 N ATOM 2840 CA ALA B 87 10.043 1.783 -8.899 1.00 0.00 C ATOM 2841 C ALA B 87 10.171 2.638 -7.636 1.00 0.00 C ATOM 2842 O ALA B 87 10.950 3.583 -7.618 1.00 0.00 O ATOM 2843 CB ALA B 87 8.718 2.089 -9.606 1.00 0.00 C ATOM 0 H ALA B 87 9.508 -0.174 -9.282 1.00 0.00 H new ATOM 0 HA ALA B 87 10.898 2.040 -9.525 1.00 0.00 H new ATOM 0 HB1 ALA B 87 8.655 3.157 -9.815 1.00 0.00 H new ATOM 0 HB2 ALA B 87 8.668 1.533 -10.542 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.887 1.795 -8.965 1.00 0.00 H new ATOM 2849 N LEU B 88 9.406 2.328 -6.586 1.00 0.00 N ATOM 2850 CA LEU B 88 9.389 3.119 -5.362 1.00 0.00 C ATOM 2851 C LEU B 88 10.738 3.119 -4.645 1.00 0.00 C ATOM 2852 O LEU B 88 11.077 4.108 -4.002 1.00 0.00 O ATOM 2853 CB LEU B 88 8.310 2.599 -4.407 1.00 0.00 C ATOM 2854 CG LEU B 88 6.882 2.837 -4.914 1.00 0.00 C ATOM 2855 CD1 LEU B 88 5.921 2.111 -3.972 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.528 4.331 -4.936 1.00 0.00 C ATOM 0 H LEU B 88 8.783 1.521 -6.565 1.00 0.00 H new ATOM 0 HA LEU B 88 9.168 4.145 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.459 1.531 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.429 3.083 -3.438 1.00 0.00 H new ATOM 0 HG LEU B 88 6.803 2.462 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU B 88 4.896 2.264 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU B 88 6.148 1.045 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU B 88 6.033 2.506 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.509 4.458 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.606 4.738 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.218 4.859 -5.595 1.00 0.00 H new