USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 SER OG : rot -87:sc= 0.801 USER MOD Set 1.2: A 64 HIS : no HE2:sc= 0.623 K(o=1.4,f=-2.2!) USER MOD Set 2.1: A 10 HIS : no HE2:sc= -11.4! C(o=-12!,f=-14!) USER MOD Set 2.2: A 13 MET CE :methyl -164:sc= -0.713 (180deg=-1.72!) USER MOD Single : A 9 TYR OH : rot -170:sc= -2.21 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -0.0577 F(o=-0.92,f=-0.058) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.00099) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.06! X(o=-2.1!,f=-2.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 85:sc= 0.586 USER MOD Single : A 36 SER OG : rot 180:sc= -1.07 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.255 K(o=-0.26,f=-1.2) USER MOD Single : A 49 SER OG : rot -150:sc= 0.486 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -45:sc= 2.43 USER MOD Single : A 63 THR OG1 : rot 160:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -169:sc= -4.33! (180deg=-5.08!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -18:sc= 0.0754 USER MOD Single : A 75 THR OG1 : rot 151:sc= 1.48 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -3:sc= 1.15 USER MOD Single : A 91 HIS :FLIP no HE2:sc= -0.568 F(o=-3.7,f=-0.57) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.48! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 40:sc= -0.578 USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 -0.267 6.822 -8.490 1.00 0.00 N ATOM 67 CA TRP A 8 -0.840 6.064 -7.390 1.00 0.00 C ATOM 68 C TRP A 8 -1.003 7.009 -6.199 1.00 0.00 C ATOM 69 O TRP A 8 -2.010 6.956 -5.493 1.00 0.00 O ATOM 70 CB TRP A 8 0.015 4.837 -7.066 1.00 0.00 C ATOM 71 CG TRP A 8 1.444 4.913 -7.609 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.934 4.352 -8.723 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.554 5.616 -7.011 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.274 4.641 -8.887 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.662 5.434 -7.813 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.619 6.379 -5.833 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.916 5.985 -7.523 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.880 6.923 -5.557 1.00 0.00 C ATOM 79 CH2 TRP A 8 5.005 6.749 -6.354 1.00 0.00 C ATOM 0 HA TRP A 8 -1.821 5.673 -7.661 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.055 4.710 -5.984 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.471 3.950 -7.473 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.354 3.750 -9.406 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.869 4.330 -9.655 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.764 6.534 -5.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.769 5.829 -8.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.985 7.519 -4.663 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.944 7.202 -6.072 1.00 0.00 H new ATOM 90 N TYR A 9 0.001 7.853 -6.011 1.00 0.00 N ATOM 91 CA TYR A 9 -0.019 8.809 -4.917 1.00 0.00 C ATOM 92 C TYR A 9 -1.327 9.603 -4.907 1.00 0.00 C ATOM 93 O TYR A 9 -1.497 10.536 -5.689 1.00 0.00 O ATOM 94 CB TYR A 9 1.144 9.769 -5.175 1.00 0.00 C ATOM 95 CG TYR A 9 1.453 10.701 -4.001 1.00 0.00 C ATOM 96 CD1 TYR A 9 2.286 10.278 -2.985 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.899 11.964 -3.959 1.00 0.00 C ATOM 98 CE1 TYR A 9 2.577 11.155 -1.881 1.00 0.00 C ATOM 99 CE2 TYR A 9 1.190 12.841 -2.854 1.00 0.00 C ATOM 100 CZ TYR A 9 2.015 12.393 -1.870 1.00 0.00 C ATOM 101 OH TYR A 9 2.289 13.222 -0.827 1.00 0.00 O ATOM 0 H TYR A 9 0.834 7.895 -6.598 1.00 0.00 H new ATOM 0 HA TYR A 9 0.066 8.297 -3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.036 9.188 -5.409 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.916 10.372 -6.054 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.719 9.289 -3.018 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.247 12.295 -4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.227 10.837 -1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.763 13.832 -2.808 1.00 0.00 H new ATOM 0 HH TYR A 9 1.700 14.004 -0.867 1.00 0.00 H new ATOM 111 N HIS A 10 -2.218 9.202 -4.011 1.00 0.00 N ATOM 112 CA HIS A 10 -3.506 9.865 -3.889 1.00 0.00 C ATOM 113 C HIS A 10 -3.350 11.139 -3.056 1.00 0.00 C ATOM 114 O HIS A 10 -4.151 12.064 -3.176 1.00 0.00 O ATOM 115 CB HIS A 10 -4.556 8.909 -3.319 1.00 0.00 C ATOM 116 CG HIS A 10 -4.871 7.737 -4.218 1.00 0.00 C ATOM 117 ND1 HIS A 10 -5.862 7.778 -5.184 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.316 6.493 -4.288 1.00 0.00 C ATOM 119 CE1 HIS A 10 -5.893 6.605 -5.800 1.00 0.00 C ATOM 120 NE2 HIS A 10 -4.935 5.810 -5.243 1.00 0.00 N ATOM 0 H HIS A 10 -2.074 8.427 -3.363 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.863 10.159 -4.876 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.206 8.533 -2.358 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.474 9.465 -3.129 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.465 8.575 -5.387 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.509 6.126 -3.671 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.560 6.327 -6.603 1.00 0.00 H new ATOM 128 N GLY A 11 -2.313 11.145 -2.231 1.00 0.00 N ATOM 129 CA GLY A 11 -2.042 12.291 -1.379 1.00 0.00 C ATOM 130 C GLY A 11 -2.412 11.992 0.075 1.00 0.00 C ATOM 131 O GLY A 11 -1.794 11.143 0.715 1.00 0.00 O ATOM 0 H GLY A 11 -1.651 10.375 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.986 12.555 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.608 13.153 -1.732 1.00 0.00 H new ATOM 135 N HIS A 12 -3.420 12.706 0.555 1.00 0.00 N ATOM 136 CA HIS A 12 -3.880 12.528 1.921 1.00 0.00 C ATOM 137 C HIS A 12 -5.134 11.653 1.931 1.00 0.00 C ATOM 138 O HIS A 12 -6.249 12.157 1.802 1.00 0.00 O ATOM 139 CB HIS A 12 -4.096 13.881 2.603 1.00 0.00 C ATOM 140 CG HIS A 12 -3.003 14.262 3.573 1.00 0.00 C ATOM 141 ND1 HIS A 12 -2.322 13.512 4.486 1.00 0.00 N flip ATOM 142 CD2 HIS A 12 -2.503 15.548 3.671 1.00 0.00 C flip ATOM 143 CE1 HIS A 12 -1.451 14.298 5.108 1.00 0.00 C flip ATOM 144 NE2 HIS A 12 -1.562 15.561 4.604 1.00 0.00 N flip ATOM 0 H HIS A 12 -3.931 13.409 0.021 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.115 12.012 2.501 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.174 14.653 1.838 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.048 13.861 3.134 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.825 16.397 3.086 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.767 13.989 5.885 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.017 16.373 4.894 1.00 0.00 H new ATOM 152 N MET A 13 -4.911 10.356 2.085 1.00 0.00 N ATOM 153 CA MET A 13 -6.009 9.405 2.113 1.00 0.00 C ATOM 154 C MET A 13 -6.110 8.724 3.479 1.00 0.00 C ATOM 155 O MET A 13 -5.094 8.408 4.095 1.00 0.00 O ATOM 156 CB MET A 13 -5.796 8.347 1.029 1.00 0.00 C ATOM 157 CG MET A 13 -6.894 7.282 1.079 1.00 0.00 C ATOM 158 SD MET A 13 -6.557 6.001 -0.117 1.00 0.00 S ATOM 159 CE MET A 13 -7.271 6.742 -1.576 1.00 0.00 C ATOM 0 H MET A 13 -3.985 9.941 2.192 1.00 0.00 H new ATOM 0 HA MET A 13 -6.938 9.945 1.928 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.790 8.822 0.048 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.822 7.877 1.161 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.949 6.852 2.079 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.863 7.737 0.874 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.406 5.979 -2.343 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.237 7.180 -1.326 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.606 7.520 -1.951 1.00 0.00 H new ATOM 169 N SER A 14 -7.345 8.518 3.912 1.00 0.00 N ATOM 170 CA SER A 14 -7.592 7.879 5.194 1.00 0.00 C ATOM 171 C SER A 14 -7.378 6.369 5.077 1.00 0.00 C ATOM 172 O SER A 14 -7.939 5.726 4.191 1.00 0.00 O ATOM 173 CB SER A 14 -9.007 8.178 5.694 1.00 0.00 C ATOM 174 OG SER A 14 -9.000 8.996 6.861 1.00 0.00 O ATOM 0 H SER A 14 -8.186 8.782 3.398 1.00 0.00 H new ATOM 0 HA SER A 14 -6.886 8.283 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.572 8.676 4.906 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.520 7.241 5.911 1.00 0.00 H new ATOM 0 HG SER A 14 -9.922 9.165 7.147 1.00 0.00 H new ATOM 180 N GLY A 15 -6.564 5.847 5.983 1.00 0.00 N ATOM 181 CA GLY A 15 -6.269 4.424 5.992 1.00 0.00 C ATOM 182 C GLY A 15 -7.540 3.599 5.784 1.00 0.00 C ATOM 183 O GLY A 15 -7.672 2.896 4.783 1.00 0.00 O ATOM 0 H GLY A 15 -6.100 6.384 6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.549 4.193 5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.805 4.151 6.940 1.00 0.00 H new ATOM 187 N GLY A 16 -8.444 3.712 6.746 1.00 0.00 N ATOM 188 CA GLY A 16 -9.701 2.985 6.681 1.00 0.00 C ATOM 189 C GLY A 16 -10.373 3.173 5.320 1.00 0.00 C ATOM 190 O GLY A 16 -10.996 2.249 4.799 1.00 0.00 O ATOM 0 H GLY A 16 -8.331 4.296 7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.522 1.925 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.367 3.332 7.471 1.00 0.00 H new ATOM 194 N GLN A 17 -10.224 4.375 4.783 1.00 0.00 N ATOM 195 CA GLN A 17 -10.809 4.695 3.492 1.00 0.00 C ATOM 196 C GLN A 17 -10.215 3.800 2.403 1.00 0.00 C ATOM 197 O GLN A 17 -10.940 3.061 1.738 1.00 0.00 O ATOM 198 CB GLN A 17 -10.613 6.174 3.154 1.00 0.00 C ATOM 199 CG GLN A 17 -11.932 6.817 2.718 1.00 0.00 C ATOM 200 CD GLN A 17 -11.922 8.323 2.984 1.00 0.00 C ATOM 201 OE1 GLN A 17 -12.152 8.786 4.089 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.645 9.060 1.912 1.00 0.00 N ATOM 0 H GLN A 17 -9.707 5.139 5.218 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.881 4.507 3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.218 6.700 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.875 6.274 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.097 6.633 1.656 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.761 6.355 3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.462 8.608 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.616 10.077 1.986 1.00 0.00 H new ATOM 211 N ALA A 18 -8.902 3.896 2.254 1.00 0.00 N ATOM 212 CA ALA A 18 -8.203 3.104 1.257 1.00 0.00 C ATOM 213 C ALA A 18 -8.820 1.705 1.197 1.00 0.00 C ATOM 214 O ALA A 18 -9.121 1.201 0.116 1.00 0.00 O ATOM 215 CB ALA A 18 -6.709 3.068 1.588 1.00 0.00 C ATOM 0 H ALA A 18 -8.304 4.510 2.807 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.308 3.553 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.185 2.474 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.312 4.083 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.565 2.622 2.572 1.00 0.00 H new ATOM 221 N GLU A 19 -8.991 1.118 2.372 1.00 0.00 N ATOM 222 CA GLU A 19 -9.567 -0.212 2.467 1.00 0.00 C ATOM 223 C GLU A 19 -10.863 -0.289 1.657 1.00 0.00 C ATOM 224 O GLU A 19 -11.028 -1.180 0.826 1.00 0.00 O ATOM 225 CB GLU A 19 -9.810 -0.602 3.927 1.00 0.00 C ATOM 226 CG GLU A 19 -8.800 -1.656 4.388 1.00 0.00 C ATOM 227 CD GLU A 19 -9.487 -3.000 4.639 1.00 0.00 C ATOM 228 OE1 GLU A 19 -10.449 -3.293 3.897 1.00 0.00 O ATOM 229 OE2 GLU A 19 -9.035 -3.703 5.569 1.00 0.00 O ATOM 0 H GLU A 19 -8.741 1.539 3.267 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.856 -0.924 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.734 0.282 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.823 -0.989 4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.023 -1.776 3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.308 -1.319 5.300 1.00 0.00 H new ATOM 236 N THR A 20 -11.750 0.658 1.929 1.00 0.00 N ATOM 237 CA THR A 20 -13.026 0.709 1.236 1.00 0.00 C ATOM 238 C THR A 20 -12.818 1.065 -0.237 1.00 0.00 C ATOM 239 O THR A 20 -13.463 0.494 -1.115 1.00 0.00 O ATOM 240 CB THR A 20 -13.928 1.696 1.979 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.485 0.927 3.040 1.00 0.00 O ATOM 242 CG2 THR A 20 -15.142 2.119 1.148 1.00 0.00 C ATOM 0 H THR A 20 -11.610 1.395 2.620 1.00 0.00 H new ATOM 0 HA THR A 20 -13.516 -0.264 1.236 1.00 0.00 H new ATOM 0 HB THR A 20 -13.351 2.579 2.254 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.082 1.491 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.749 2.820 1.721 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.805 2.599 0.229 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.738 1.240 0.901 1.00 0.00 H new ATOM 250 N LEU A 21 -11.916 2.009 -0.464 1.00 0.00 N ATOM 251 CA LEU A 21 -11.615 2.448 -1.816 1.00 0.00 C ATOM 252 C LEU A 21 -11.119 1.256 -2.636 1.00 0.00 C ATOM 253 O LEU A 21 -11.687 0.936 -3.680 1.00 0.00 O ATOM 254 CB LEU A 21 -10.640 3.627 -1.792 1.00 0.00 C ATOM 255 CG LEU A 21 -11.226 4.974 -1.364 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.829 5.314 0.073 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.831 6.080 -2.345 1.00 0.00 C ATOM 0 H LEU A 21 -11.384 2.482 0.266 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.515 2.819 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.819 3.380 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.212 3.739 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.313 4.896 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.259 6.276 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.202 4.542 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.743 5.367 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.260 7.027 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.745 6.166 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.206 5.836 -3.339 1.00 0.00 H new ATOM 269 N LEU A 22 -10.064 0.631 -2.134 1.00 0.00 N ATOM 270 CA LEU A 22 -9.485 -0.519 -2.808 1.00 0.00 C ATOM 271 C LEU A 22 -10.564 -1.586 -3.006 1.00 0.00 C ATOM 272 O LEU A 22 -10.652 -2.194 -4.071 1.00 0.00 O ATOM 273 CB LEU A 22 -8.256 -1.022 -2.048 1.00 0.00 C ATOM 274 CG LEU A 22 -6.980 -0.194 -2.213 1.00 0.00 C ATOM 275 CD1 LEU A 22 -6.037 -0.398 -1.026 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.297 -0.499 -3.548 1.00 0.00 C ATOM 0 H LEU A 22 -9.595 0.899 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.127 -0.239 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.502 -1.066 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.047 -2.042 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.256 0.860 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.138 0.202 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.537 -0.090 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.764 -1.451 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.393 0.103 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.035 -1.556 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.976 -0.261 -4.367 1.00 0.00 H new ATOM 288 N GLN A 23 -11.359 -1.779 -1.963 1.00 0.00 N ATOM 289 CA GLN A 23 -12.428 -2.762 -2.009 1.00 0.00 C ATOM 290 C GLN A 23 -13.484 -2.349 -3.037 1.00 0.00 C ATOM 291 O GLN A 23 -13.993 -3.186 -3.780 1.00 0.00 O ATOM 292 CB GLN A 23 -13.055 -2.956 -0.627 1.00 0.00 C ATOM 293 CG GLN A 23 -12.153 -3.808 0.268 1.00 0.00 C ATOM 294 CD GLN A 23 -12.760 -3.967 1.664 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.685 -3.272 2.050 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.188 -4.917 2.398 1.00 0.00 N ATOM 0 H GLN A 23 -11.284 -1.271 -1.082 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.003 -3.718 -2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.224 -1.985 -0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.029 -3.435 -0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.009 -4.789 -0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.169 -3.345 0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.417 -5.463 2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.520 -5.099 3.345 1.00 0.00 H new ATOM 305 N ALA A 24 -13.782 -1.058 -3.045 1.00 0.00 N ATOM 306 CA ALA A 24 -14.769 -0.523 -3.969 1.00 0.00 C ATOM 307 C ALA A 24 -14.406 -0.944 -5.395 1.00 0.00 C ATOM 308 O ALA A 24 -15.287 -1.216 -6.209 1.00 0.00 O ATOM 309 CB ALA A 24 -14.846 0.996 -3.811 1.00 0.00 C ATOM 0 H ALA A 24 -13.358 -0.367 -2.427 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.758 -0.923 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.586 1.397 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.135 1.241 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.872 1.434 -4.027 1.00 0.00 H new ATOM 315 N LYS A 25 -13.107 -0.983 -5.653 1.00 0.00 N ATOM 316 CA LYS A 25 -12.617 -1.366 -6.967 1.00 0.00 C ATOM 317 C LYS A 25 -12.667 -2.889 -7.101 1.00 0.00 C ATOM 318 O LYS A 25 -13.249 -3.413 -8.050 1.00 0.00 O ATOM 319 CB LYS A 25 -11.229 -0.772 -7.214 1.00 0.00 C ATOM 320 CG LYS A 25 -11.073 -0.330 -8.671 1.00 0.00 C ATOM 321 CD LYS A 25 -10.794 1.172 -8.761 1.00 0.00 C ATOM 322 CE LYS A 25 -10.922 1.667 -10.203 1.00 0.00 C ATOM 323 NZ LYS A 25 -12.218 2.354 -10.403 1.00 0.00 N ATOM 0 H LYS A 25 -12.379 -0.756 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.258 -0.956 -7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.071 0.080 -6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.465 -1.510 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.258 -0.884 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.980 -0.569 -9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.492 1.714 -8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.792 1.383 -8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.103 2.349 -10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.840 0.826 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.288 2.683 -11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.996 1.693 -10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.282 3.169 -9.760 1.00 0.00 H new ATOM 337 N GLY A 26 -12.049 -3.557 -6.138 1.00 0.00 N ATOM 338 CA GLY A 26 -12.016 -5.010 -6.137 1.00 0.00 C ATOM 339 C GLY A 26 -10.747 -5.530 -6.814 1.00 0.00 C ATOM 340 O GLY A 26 -10.216 -6.572 -6.431 1.00 0.00 O ATOM 0 H GLY A 26 -11.567 -3.119 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.062 -5.378 -5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.893 -5.398 -6.655 1.00 0.00 H new ATOM 344 N GLU A 27 -10.295 -4.780 -7.809 1.00 0.00 N ATOM 345 CA GLU A 27 -9.098 -5.153 -8.543 1.00 0.00 C ATOM 346 C GLU A 27 -8.053 -5.739 -7.592 1.00 0.00 C ATOM 347 O GLU A 27 -7.544 -5.040 -6.717 1.00 0.00 O ATOM 348 CB GLU A 27 -8.531 -3.956 -9.311 1.00 0.00 C ATOM 349 CG GLU A 27 -9.441 -3.574 -10.479 1.00 0.00 C ATOM 350 CD GLU A 27 -9.127 -2.162 -10.980 1.00 0.00 C ATOM 351 OE1 GLU A 27 -8.051 -1.652 -10.600 1.00 0.00 O ATOM 352 OE2 GLU A 27 -9.970 -1.626 -11.730 1.00 0.00 O ATOM 0 H GLU A 27 -10.736 -3.916 -8.124 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.366 -5.917 -9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.421 -3.106 -8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.536 -4.197 -9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.314 -4.289 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.484 -3.629 -10.166 1.00 0.00 H new ATOM 359 N PRO A 28 -7.756 -7.049 -7.801 1.00 0.00 N ATOM 360 CA PRO A 28 -6.781 -7.737 -6.972 1.00 0.00 C ATOM 361 C PRO A 28 -5.356 -7.320 -7.341 1.00 0.00 C ATOM 362 O PRO A 28 -5.037 -7.161 -8.518 1.00 0.00 O ATOM 363 CB PRO A 28 -7.045 -9.217 -7.200 1.00 0.00 C ATOM 364 CG PRO A 28 -7.840 -9.304 -8.492 1.00 0.00 C ATOM 365 CD PRO A 28 -8.339 -7.908 -8.827 1.00 0.00 C ATOM 0 HA PRO A 28 -6.876 -7.487 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.111 -9.773 -7.278 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.603 -9.647 -6.368 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.217 -9.690 -9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.678 -9.992 -8.379 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.023 -7.603 -9.825 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.428 -7.862 -8.810 1.00 0.00 H new ATOM 373 N TRP A 29 -4.537 -7.156 -6.313 1.00 0.00 N ATOM 374 CA TRP A 29 -3.153 -6.760 -6.515 1.00 0.00 C ATOM 375 C TRP A 29 -3.136 -5.280 -6.902 1.00 0.00 C ATOM 376 O TRP A 29 -2.460 -4.892 -7.853 1.00 0.00 O ATOM 377 CB TRP A 29 -2.472 -7.657 -7.550 1.00 0.00 C ATOM 378 CG TRP A 29 -2.606 -9.154 -7.262 1.00 0.00 C ATOM 379 CD1 TRP A 29 -3.021 -10.120 -8.092 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.305 -9.820 -6.017 1.00 0.00 C ATOM 381 NE1 TRP A 29 -3.010 -11.355 -7.477 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.560 -11.167 -6.175 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.832 -9.302 -4.799 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.373 -12.107 -5.154 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.651 -10.254 -3.789 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.903 -11.614 -3.932 1.00 0.00 C ATOM 0 H TRP A 29 -4.805 -7.290 -5.338 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.578 -6.886 -5.598 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.896 -7.447 -8.532 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.414 -7.400 -7.598 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.326 -9.953 -9.114 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.282 -12.243 -7.900 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.625 -8.252 -4.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.581 -13.156 -5.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.290 -9.908 -2.832 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.737 -12.287 -3.104 1.00 0.00 H new ATOM 397 N THR A 30 -3.888 -4.495 -6.145 1.00 0.00 N ATOM 398 CA THR A 30 -3.968 -3.066 -6.397 1.00 0.00 C ATOM 399 C THR A 30 -3.351 -2.284 -5.236 1.00 0.00 C ATOM 400 O THR A 30 -3.840 -2.350 -4.109 1.00 0.00 O ATOM 401 CB THR A 30 -5.433 -2.713 -6.657 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.835 -3.625 -7.675 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.598 -1.336 -7.304 1.00 0.00 C ATOM 0 H THR A 30 -4.447 -4.821 -5.357 1.00 0.00 H new ATOM 0 HA THR A 30 -3.390 -2.787 -7.278 1.00 0.00 H new ATOM 0 HB THR A 30 -5.985 -2.741 -5.717 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.109 -4.472 -7.266 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.657 -1.135 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.181 -0.573 -6.647 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.074 -1.318 -8.260 1.00 0.00 H new ATOM 411 N PHE A 31 -2.286 -1.562 -5.550 1.00 0.00 N ATOM 412 CA PHE A 31 -1.597 -0.768 -4.547 1.00 0.00 C ATOM 413 C PHE A 31 -1.864 0.724 -4.750 1.00 0.00 C ATOM 414 O PHE A 31 -2.357 1.133 -5.800 1.00 0.00 O ATOM 415 CB PHE A 31 -0.100 -1.034 -4.717 1.00 0.00 C ATOM 416 CG PHE A 31 0.570 -0.161 -5.780 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.406 -0.449 -7.099 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.330 0.903 -5.406 1.00 0.00 C ATOM 419 CE1 PHE A 31 1.027 0.361 -8.086 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.952 1.713 -6.393 1.00 0.00 C ATOM 421 CZ PHE A 31 1.787 1.425 -7.712 1.00 0.00 C ATOM 0 H PHE A 31 -1.883 -1.510 -6.486 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.948 -1.040 -3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.398 -0.872 -3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.045 -2.082 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.197 -1.294 -7.396 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.461 1.132 -4.359 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.896 0.132 -9.133 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.556 2.558 -6.096 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.260 2.041 -8.462 1.00 0.00 H new ATOM 431 N LEU A 32 -1.528 1.498 -3.728 1.00 0.00 N ATOM 432 CA LEU A 32 -1.726 2.936 -3.781 1.00 0.00 C ATOM 433 C LEU A 32 -0.958 3.595 -2.633 1.00 0.00 C ATOM 434 O LEU A 32 -0.951 3.086 -1.513 1.00 0.00 O ATOM 435 CB LEU A 32 -3.219 3.272 -3.794 1.00 0.00 C ATOM 436 CG LEU A 32 -3.922 3.255 -2.435 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.516 4.466 -1.593 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.439 3.157 -2.604 1.00 0.00 C ATOM 0 H LEU A 32 -1.120 1.156 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.323 3.341 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.345 4.262 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.725 2.565 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.600 2.365 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.030 4.430 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.438 4.451 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.790 5.382 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.914 3.147 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.798 4.015 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.687 2.239 -3.137 1.00 0.00 H new ATOM 450 N VAL A 33 -0.329 4.717 -2.952 1.00 0.00 N ATOM 451 CA VAL A 33 0.441 5.450 -1.961 1.00 0.00 C ATOM 452 C VAL A 33 -0.419 6.578 -1.386 1.00 0.00 C ATOM 453 O VAL A 33 -1.085 7.296 -2.130 1.00 0.00 O ATOM 454 CB VAL A 33 1.747 5.951 -2.580 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.716 6.434 -1.499 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.391 4.870 -3.451 1.00 0.00 C ATOM 0 H VAL A 33 -0.337 5.136 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 33 0.718 4.798 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 33 1.510 6.800 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.636 6.785 -1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.259 7.250 -0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.944 5.612 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.318 5.252 -3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.607 3.993 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.707 4.594 -4.254 1.00 0.00 H new ATOM 466 N ARG A 34 -0.376 6.698 -0.067 1.00 0.00 N ATOM 467 CA ARG A 34 -1.143 7.725 0.616 1.00 0.00 C ATOM 468 C ARG A 34 -0.384 8.223 1.848 1.00 0.00 C ATOM 469 O ARG A 34 0.310 7.451 2.507 1.00 0.00 O ATOM 470 CB ARG A 34 -2.512 7.196 1.048 1.00 0.00 C ATOM 471 CG ARG A 34 -2.402 5.767 1.585 1.00 0.00 C ATOM 472 CD ARG A 34 -3.732 5.303 2.183 1.00 0.00 C ATOM 473 NE ARG A 34 -3.510 4.737 3.532 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.261 5.474 4.624 1.00 0.00 C ATOM 475 NH1 ARG A 34 -3.200 6.809 4.531 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.073 4.875 5.808 1.00 0.00 N ATOM 0 H ARG A 34 0.178 6.101 0.547 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.289 8.549 -0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.931 7.846 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.198 7.219 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.106 5.094 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.621 5.719 2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.426 6.141 2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.190 4.554 1.536 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.549 3.723 3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.343 7.265 3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.011 7.370 5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.119 3.858 5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.884 5.436 6.639 1.00 0.00 H new ATOM 490 N GLU A 35 -0.542 9.509 2.121 1.00 0.00 N ATOM 491 CA GLU A 35 0.119 10.119 3.262 1.00 0.00 C ATOM 492 C GLU A 35 -0.578 9.710 4.561 1.00 0.00 C ATOM 493 O GLU A 35 -1.787 9.890 4.705 1.00 0.00 O ATOM 494 CB GLU A 35 0.165 11.642 3.121 1.00 0.00 C ATOM 495 CG GLU A 35 1.202 12.065 2.079 1.00 0.00 C ATOM 496 CD GLU A 35 0.880 13.450 1.516 1.00 0.00 C ATOM 497 OE1 GLU A 35 -0.322 13.703 1.283 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.843 14.226 1.331 1.00 0.00 O ATOM 0 H GLU A 35 -1.119 10.146 1.571 1.00 0.00 H new ATOM 0 HA GLU A 35 1.147 9.759 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.818 12.014 2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.407 12.093 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.194 12.074 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.227 11.336 1.269 1.00 0.00 H new ATOM 505 N SER A 36 0.213 9.166 5.475 1.00 0.00 N ATOM 506 CA SER A 36 -0.313 8.730 6.757 1.00 0.00 C ATOM 507 C SER A 36 -0.973 9.906 7.479 1.00 0.00 C ATOM 508 O SER A 36 -0.423 11.006 7.513 1.00 0.00 O ATOM 509 CB SER A 36 0.789 8.123 7.627 1.00 0.00 C ATOM 510 OG SER A 36 0.534 6.755 7.934 1.00 0.00 O ATOM 0 H SER A 36 1.215 9.017 5.352 1.00 0.00 H new ATOM 0 HA SER A 36 -1.061 7.958 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.746 8.207 7.111 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.875 8.692 8.553 1.00 0.00 H new ATOM 0 HG SER A 36 1.261 6.403 8.489 1.00 0.00 H new ATOM 516 N LEU A 37 -2.143 9.634 8.040 1.00 0.00 N ATOM 517 CA LEU A 37 -2.883 10.657 8.759 1.00 0.00 C ATOM 518 C LEU A 37 -2.481 10.627 10.235 1.00 0.00 C ATOM 519 O LEU A 37 -2.308 11.675 10.856 1.00 0.00 O ATOM 520 CB LEU A 37 -4.386 10.492 8.529 1.00 0.00 C ATOM 521 CG LEU A 37 -5.085 11.648 7.810 1.00 0.00 C ATOM 522 CD1 LEU A 37 -4.418 11.939 6.464 1.00 0.00 C ATOM 523 CD2 LEU A 37 -6.583 11.375 7.660 1.00 0.00 C ATOM 0 H LEU A 37 -2.596 8.721 8.011 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.632 11.647 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.547 9.581 7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.868 10.347 9.496 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.981 12.544 8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.934 12.764 5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.374 12.208 6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.470 11.052 5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.056 12.212 7.146 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.731 10.463 7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.031 11.255 8.646 1.00 0.00 H new ATOM 535 N SER A 38 -2.343 9.416 10.754 1.00 0.00 N ATOM 536 CA SER A 38 -1.965 9.236 12.145 1.00 0.00 C ATOM 537 C SER A 38 -0.479 9.552 12.328 1.00 0.00 C ATOM 538 O SER A 38 -0.041 9.880 13.430 1.00 0.00 O ATOM 539 CB SER A 38 -2.267 7.813 12.619 1.00 0.00 C ATOM 540 OG SER A 38 -3.628 7.659 13.012 1.00 0.00 O ATOM 0 H SER A 38 -2.486 8.549 10.236 1.00 0.00 H new ATOM 0 HA SER A 38 -2.554 9.924 12.751 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.039 7.108 11.819 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.617 7.565 13.458 1.00 0.00 H new ATOM 0 HG SER A 38 -3.781 6.737 13.306 1.00 0.00 H new ATOM 546 N GLN A 39 0.256 9.443 11.231 1.00 0.00 N ATOM 547 CA GLN A 39 1.684 9.713 11.257 1.00 0.00 C ATOM 548 C GLN A 39 2.046 10.755 10.197 1.00 0.00 C ATOM 549 O GLN A 39 2.139 10.435 9.013 1.00 0.00 O ATOM 550 CB GLN A 39 2.489 8.427 11.059 1.00 0.00 C ATOM 551 CG GLN A 39 2.603 7.645 12.369 1.00 0.00 C ATOM 552 CD GLN A 39 3.467 8.396 13.384 1.00 0.00 C ATOM 553 OE1 GLN A 39 4.308 9.210 13.039 1.00 0.00 O ATOM 554 NE2 GLN A 39 3.213 8.080 14.650 1.00 0.00 N ATOM 0 H GLN A 39 -0.110 9.171 10.319 1.00 0.00 H new ATOM 0 HA GLN A 39 1.940 10.116 12.237 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.010 7.807 10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.485 8.670 10.689 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.609 7.479 12.785 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.035 6.664 12.174 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.495 7.390 14.869 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.736 8.528 15.402 1.00 0.00 H new ATOM 563 N PRO A 40 2.246 12.013 10.672 1.00 0.00 N ATOM 564 CA PRO A 40 2.596 13.104 9.779 1.00 0.00 C ATOM 565 C PRO A 40 4.057 13.002 9.335 1.00 0.00 C ATOM 566 O PRO A 40 4.966 13.288 10.112 1.00 0.00 O ATOM 567 CB PRO A 40 2.302 14.369 10.568 1.00 0.00 C ATOM 568 CG PRO A 40 2.241 13.946 12.027 1.00 0.00 C ATOM 569 CD PRO A 40 2.145 12.429 12.068 1.00 0.00 C ATOM 0 HA PRO A 40 2.024 13.088 8.851 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.079 15.117 10.410 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.360 14.817 10.251 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.128 14.287 12.561 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.379 14.397 12.520 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.946 11.998 12.669 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.204 12.104 12.511 1.00 0.00 H new ATOM 577 N GLY A 41 4.236 12.595 8.087 1.00 0.00 N ATOM 578 CA GLY A 41 5.570 12.452 7.531 1.00 0.00 C ATOM 579 C GLY A 41 5.764 11.062 6.920 1.00 0.00 C ATOM 580 O GLY A 41 6.496 10.906 5.944 1.00 0.00 O ATOM 0 H GLY A 41 3.479 12.360 7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.734 13.214 6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.313 12.617 8.312 1.00 0.00 H new ATOM 584 N ASP A 42 5.095 10.089 7.520 1.00 0.00 N ATOM 585 CA ASP A 42 5.184 8.718 7.048 1.00 0.00 C ATOM 586 C ASP A 42 4.128 8.486 5.965 1.00 0.00 C ATOM 587 O ASP A 42 3.314 9.366 5.689 1.00 0.00 O ATOM 588 CB ASP A 42 4.923 7.726 8.183 1.00 0.00 C ATOM 589 CG ASP A 42 6.163 6.999 8.705 1.00 0.00 C ATOM 590 OD1 ASP A 42 6.788 7.543 9.641 1.00 0.00 O ATOM 591 OD2 ASP A 42 6.459 5.915 8.157 1.00 0.00 O ATOM 0 H ASP A 42 4.489 10.223 8.329 1.00 0.00 H new ATOM 0 HA ASP A 42 6.189 8.561 6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.458 8.260 9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.204 6.983 7.838 1.00 0.00 H new ATOM 596 N PHE A 43 4.176 7.298 5.381 1.00 0.00 N ATOM 597 CA PHE A 43 3.233 6.939 4.335 1.00 0.00 C ATOM 598 C PHE A 43 2.762 5.493 4.494 1.00 0.00 C ATOM 599 O PHE A 43 3.429 4.686 5.139 1.00 0.00 O ATOM 600 CB PHE A 43 3.970 7.080 3.002 1.00 0.00 C ATOM 601 CG PHE A 43 4.572 8.467 2.766 1.00 0.00 C ATOM 602 CD1 PHE A 43 5.645 8.875 3.494 1.00 0.00 C ATOM 603 CD2 PHE A 43 4.032 9.292 1.829 1.00 0.00 C ATOM 604 CE1 PHE A 43 6.204 10.162 3.276 1.00 0.00 C ATOM 605 CE2 PHE A 43 4.591 10.579 1.610 1.00 0.00 C ATOM 606 CZ PHE A 43 5.664 10.987 2.338 1.00 0.00 C ATOM 0 H PHE A 43 4.853 6.571 5.612 1.00 0.00 H new ATOM 0 HA PHE A 43 2.357 7.585 4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.767 6.338 2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.278 6.853 2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.073 8.220 4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.178 8.968 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.057 10.486 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.164 11.234 0.865 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.088 11.966 2.172 1.00 0.00 H new ATOM 616 N VAL A 44 1.615 5.208 3.894 1.00 0.00 N ATOM 617 CA VAL A 44 1.046 3.873 3.960 1.00 0.00 C ATOM 618 C VAL A 44 0.842 3.339 2.541 1.00 0.00 C ATOM 619 O VAL A 44 0.477 4.090 1.638 1.00 0.00 O ATOM 620 CB VAL A 44 -0.244 3.894 4.783 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.869 2.499 4.858 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.007 4.459 6.182 1.00 0.00 C ATOM 0 H VAL A 44 1.064 5.880 3.360 1.00 0.00 H new ATOM 0 HA VAL A 44 1.728 3.192 4.468 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.952 4.552 4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.784 2.542 5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.102 2.150 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.166 1.810 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.926 4.463 6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.740 3.840 6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.386 5.478 6.100 1.00 0.00 H new ATOM 632 N LEU A 45 1.088 2.046 2.389 1.00 0.00 N ATOM 633 CA LEU A 45 0.935 1.403 1.095 1.00 0.00 C ATOM 634 C LEU A 45 -0.120 0.300 1.200 1.00 0.00 C ATOM 635 O LEU A 45 0.181 -0.815 1.625 1.00 0.00 O ATOM 636 CB LEU A 45 2.289 0.911 0.578 1.00 0.00 C ATOM 637 CG LEU A 45 2.261 0.129 -0.736 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.679 0.978 -1.868 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.650 -0.412 -1.082 1.00 0.00 C ATOM 0 H LEU A 45 1.392 1.427 3.140 1.00 0.00 H new ATOM 0 HA LEU A 45 0.577 2.118 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.942 1.774 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.741 0.280 1.344 1.00 0.00 H new ATOM 0 HG LEU A 45 1.603 -0.730 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.671 0.398 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.660 1.272 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.291 1.870 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.602 -0.964 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.349 0.418 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.990 -1.076 -0.288 1.00 0.00 H new ATOM 651 N SER A 46 -1.336 0.649 0.805 1.00 0.00 N ATOM 652 CA SER A 46 -2.437 -0.298 0.849 1.00 0.00 C ATOM 653 C SER A 46 -2.524 -1.062 -0.473 1.00 0.00 C ATOM 654 O SER A 46 -2.823 -0.478 -1.514 1.00 0.00 O ATOM 655 CB SER A 46 -3.762 0.412 1.139 1.00 0.00 C ATOM 656 OG SER A 46 -3.632 1.381 2.176 1.00 0.00 O ATOM 0 H SER A 46 -1.583 1.574 0.453 1.00 0.00 H new ATOM 0 HA SER A 46 -2.248 -1.004 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.119 0.898 0.231 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.514 -0.325 1.423 1.00 0.00 H new ATOM 0 HG SER A 46 -3.762 0.949 3.046 1.00 0.00 H new ATOM 662 N VAL A 47 -2.256 -2.357 -0.390 1.00 0.00 N ATOM 663 CA VAL A 47 -2.299 -3.208 -1.567 1.00 0.00 C ATOM 664 C VAL A 47 -3.440 -4.217 -1.420 1.00 0.00 C ATOM 665 O VAL A 47 -3.511 -4.938 -0.426 1.00 0.00 O ATOM 666 CB VAL A 47 -0.938 -3.871 -1.784 1.00 0.00 C ATOM 667 CG1 VAL A 47 -1.014 -4.934 -2.882 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.136 -2.829 -2.104 1.00 0.00 C ATOM 0 H VAL A 47 -2.008 -2.838 0.475 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.502 -2.616 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.657 -4.368 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.033 -5.390 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.734 -5.701 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.329 -4.470 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.094 -3.328 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.138 -2.290 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.219 -2.126 -1.275 1.00 0.00 H new ATOM 678 N LEU A 48 -4.303 -4.237 -2.424 1.00 0.00 N ATOM 679 CA LEU A 48 -5.437 -5.146 -2.419 1.00 0.00 C ATOM 680 C LEU A 48 -4.955 -6.556 -2.765 1.00 0.00 C ATOM 681 O LEU A 48 -4.355 -6.771 -3.817 1.00 0.00 O ATOM 682 CB LEU A 48 -6.542 -4.630 -3.343 1.00 0.00 C ATOM 683 CG LEU A 48 -7.943 -5.189 -3.090 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.417 -4.860 -1.673 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.929 -4.698 -4.152 1.00 0.00 C ATOM 0 H LEU A 48 -4.240 -3.638 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.882 -5.195 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.584 -3.544 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.263 -4.856 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.897 -6.275 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.416 -5.269 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.730 -5.298 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.443 -3.778 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.918 -5.110 -3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.978 -3.609 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.595 -5.024 -5.137 1.00 0.00 H new ATOM 697 N SER A 49 -5.236 -7.482 -1.859 1.00 0.00 N ATOM 698 CA SER A 49 -4.839 -8.865 -2.055 1.00 0.00 C ATOM 699 C SER A 49 -5.956 -9.635 -2.764 1.00 0.00 C ATOM 700 O SER A 49 -7.087 -9.160 -2.845 1.00 0.00 O ATOM 701 CB SER A 49 -4.498 -9.534 -0.722 1.00 0.00 C ATOM 702 OG SER A 49 -5.539 -10.399 -0.276 1.00 0.00 O ATOM 0 H SER A 49 -5.734 -7.301 -0.987 1.00 0.00 H new ATOM 0 HA SER A 49 -3.944 -8.879 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.574 -10.103 -0.828 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.316 -8.768 0.032 1.00 0.00 H new ATOM 0 HG SER A 49 -5.543 -10.428 0.704 1.00 0.00 H new ATOM 708 N ASP A 50 -5.598 -10.810 -3.260 1.00 0.00 N ATOM 709 CA ASP A 50 -6.555 -11.650 -3.960 1.00 0.00 C ATOM 710 C ASP A 50 -7.128 -12.683 -2.987 1.00 0.00 C ATOM 711 O ASP A 50 -7.581 -13.748 -3.403 1.00 0.00 O ATOM 712 CB ASP A 50 -5.888 -12.404 -5.111 1.00 0.00 C ATOM 713 CG ASP A 50 -5.181 -13.700 -4.712 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.607 -13.715 -3.602 1.00 0.00 O ATOM 715 OD2 ASP A 50 -5.230 -14.648 -5.526 1.00 0.00 O ATOM 0 H ASP A 50 -4.658 -11.200 -3.191 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.340 -11.007 -4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.645 -12.637 -5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.162 -11.744 -5.586 1.00 0.00 H new ATOM 720 N GLN A 51 -7.088 -12.332 -1.710 1.00 0.00 N ATOM 721 CA GLN A 51 -7.597 -13.216 -0.675 1.00 0.00 C ATOM 722 C GLN A 51 -8.858 -12.623 -0.044 1.00 0.00 C ATOM 723 O GLN A 51 -8.788 -11.627 0.676 1.00 0.00 O ATOM 724 CB GLN A 51 -6.529 -13.489 0.387 1.00 0.00 C ATOM 725 CG GLN A 51 -5.441 -14.417 -0.157 1.00 0.00 C ATOM 726 CD GLN A 51 -5.146 -15.551 0.828 1.00 0.00 C ATOM 727 OE1 GLN A 51 -5.102 -15.365 2.033 1.00 0.00 O ATOM 728 NE2 GLN A 51 -4.945 -16.731 0.249 1.00 0.00 N ATOM 0 H GLN A 51 -6.711 -11.448 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.858 -14.169 -1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.082 -12.548 0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.991 -13.940 1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.758 -14.834 -1.113 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.531 -13.847 -0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.997 -16.816 -0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.739 -17.551 0.820 1.00 0.00 H new ATOM 737 N PRO A 52 -10.013 -13.276 -0.344 1.00 0.00 N ATOM 738 CA PRO A 52 -11.288 -12.823 0.186 1.00 0.00 C ATOM 739 C PRO A 52 -11.427 -13.187 1.665 1.00 0.00 C ATOM 740 O PRO A 52 -10.621 -13.947 2.200 1.00 0.00 O ATOM 741 CB PRO A 52 -12.336 -13.489 -0.691 1.00 0.00 C ATOM 742 CG PRO A 52 -11.631 -14.648 -1.377 1.00 0.00 C ATOM 743 CD PRO A 52 -10.134 -14.457 -1.193 1.00 0.00 C ATOM 0 HA PRO A 52 -11.395 -11.739 0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.177 -13.842 -0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.736 -12.787 -1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.950 -15.597 -0.947 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.885 -14.676 -2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.678 -15.329 -0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.633 -14.310 -2.150 1.00 0.00 H new ATOM 751 N LYS A 53 -12.455 -12.627 2.285 1.00 0.00 N ATOM 752 CA LYS A 53 -12.710 -12.883 3.693 1.00 0.00 C ATOM 753 C LYS A 53 -13.615 -14.109 3.828 1.00 0.00 C ATOM 754 O LYS A 53 -13.367 -14.979 4.662 1.00 0.00 O ATOM 755 CB LYS A 53 -13.267 -11.630 4.372 1.00 0.00 C ATOM 756 CG LYS A 53 -12.228 -10.506 4.385 1.00 0.00 C ATOM 757 CD LYS A 53 -12.894 -9.147 4.609 1.00 0.00 C ATOM 758 CE LYS A 53 -13.585 -9.093 5.973 1.00 0.00 C ATOM 759 NZ LYS A 53 -15.035 -8.842 5.810 1.00 0.00 N ATOM 0 H LYS A 53 -13.121 -11.997 1.839 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.780 -13.114 4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.163 -11.296 3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.564 -11.867 5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.497 -10.691 5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.684 -10.497 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.146 -8.357 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.623 -8.961 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.430 -10.033 6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.140 -8.306 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.489 -8.808 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.178 -7.934 5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.459 -9.607 5.247 1.00 0.00 H new ATOM 773 N ALA A 54 -14.646 -14.139 2.996 1.00 0.00 N ATOM 774 CA ALA A 54 -15.589 -15.245 3.012 1.00 0.00 C ATOM 775 C ALA A 54 -15.504 -16.002 1.685 1.00 0.00 C ATOM 776 O ALA A 54 -15.795 -17.195 1.628 1.00 0.00 O ATOM 777 CB ALA A 54 -16.996 -14.711 3.290 1.00 0.00 C ATOM 0 H ALA A 54 -14.849 -13.415 2.307 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.343 -15.948 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.704 -15.540 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.010 -14.208 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.278 -14.005 2.509 1.00 0.00 H new ATOM 783 N GLY A 55 -15.102 -15.276 0.652 1.00 0.00 N ATOM 784 CA GLY A 55 -14.975 -15.865 -0.671 1.00 0.00 C ATOM 785 C GLY A 55 -15.691 -15.013 -1.721 1.00 0.00 C ATOM 786 O GLY A 55 -15.424 -13.819 -1.844 1.00 0.00 O ATOM 0 H GLY A 55 -14.860 -14.286 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.921 -15.959 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.394 -16.871 -0.667 1.00 0.00 H new ATOM 790 N PRO A 56 -16.610 -15.678 -2.472 1.00 0.00 N ATOM 791 CA PRO A 56 -17.366 -14.995 -3.507 1.00 0.00 C ATOM 792 C PRO A 56 -18.454 -14.109 -2.898 1.00 0.00 C ATOM 793 O PRO A 56 -19.350 -14.602 -2.214 1.00 0.00 O ATOM 794 CB PRO A 56 -17.925 -16.105 -4.383 1.00 0.00 C ATOM 795 CG PRO A 56 -17.852 -17.372 -3.547 1.00 0.00 C ATOM 796 CD PRO A 56 -16.952 -17.093 -2.354 1.00 0.00 C ATOM 0 HA PRO A 56 -16.752 -14.312 -4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.952 -15.890 -4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.345 -16.208 -5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.847 -17.667 -3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.456 -18.197 -4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.464 -17.300 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.060 -17.719 -2.375 1.00 0.00 H new ATOM 804 N GLY A 57 -18.341 -12.817 -3.168 1.00 0.00 N ATOM 805 CA GLY A 57 -19.304 -11.858 -2.655 1.00 0.00 C ATOM 806 C GLY A 57 -18.754 -11.134 -1.424 1.00 0.00 C ATOM 807 O GLY A 57 -19.455 -10.336 -0.803 1.00 0.00 O ATOM 0 H GLY A 57 -17.597 -12.412 -3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.547 -11.131 -3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.231 -12.370 -2.396 1.00 0.00 H new ATOM 811 N SER A 58 -17.504 -11.437 -1.108 1.00 0.00 N ATOM 812 CA SER A 58 -16.851 -10.825 0.037 1.00 0.00 C ATOM 813 C SER A 58 -15.708 -9.923 -0.432 1.00 0.00 C ATOM 814 O SER A 58 -15.133 -10.147 -1.496 1.00 0.00 O ATOM 815 CB SER A 58 -16.326 -11.888 1.005 1.00 0.00 C ATOM 816 OG SER A 58 -15.203 -12.585 0.474 1.00 0.00 O ATOM 0 H SER A 58 -16.925 -12.099 -1.625 1.00 0.00 H new ATOM 0 HA SER A 58 -17.587 -10.221 0.568 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.047 -11.415 1.947 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.121 -12.599 1.229 1.00 0.00 H new ATOM 0 HG SER A 58 -15.378 -12.823 -0.461 1.00 0.00 H new ATOM 822 N PRO A 59 -15.405 -8.897 0.407 1.00 0.00 N ATOM 823 CA PRO A 59 -14.341 -7.960 0.089 1.00 0.00 C ATOM 824 C PRO A 59 -12.967 -8.594 0.313 1.00 0.00 C ATOM 825 O PRO A 59 -12.765 -9.319 1.286 1.00 0.00 O ATOM 826 CB PRO A 59 -14.594 -6.758 0.985 1.00 0.00 C ATOM 827 CG PRO A 59 -15.507 -7.252 2.096 1.00 0.00 C ATOM 828 CD PRO A 59 -16.065 -8.601 1.676 1.00 0.00 C ATOM 0 HA PRO A 59 -14.340 -7.665 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.660 -6.370 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.061 -5.946 0.427 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.955 -7.342 3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.316 -6.542 2.270 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.852 -9.367 2.421 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.148 -8.563 1.559 1.00 0.00 H new ATOM 836 N LEU A 60 -12.057 -8.298 -0.603 1.00 0.00 N ATOM 837 CA LEU A 60 -10.708 -8.831 -0.518 1.00 0.00 C ATOM 838 C LEU A 60 -9.917 -8.038 0.524 1.00 0.00 C ATOM 839 O LEU A 60 -9.837 -6.813 0.449 1.00 0.00 O ATOM 840 CB LEU A 60 -10.053 -8.854 -1.901 1.00 0.00 C ATOM 841 CG LEU A 60 -10.705 -9.772 -2.936 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.120 -9.529 -4.329 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.593 -11.239 -2.516 1.00 0.00 C ATOM 0 H LEU A 60 -12.227 -7.696 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.728 -9.868 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.049 -7.838 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.012 -9.154 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.767 -9.531 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.600 -10.194 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.294 -8.493 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.048 -9.726 -4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.064 -11.870 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.542 -11.511 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.093 -11.382 -1.558 1.00 0.00 H new ATOM 855 N ARG A 61 -9.351 -8.770 1.473 1.00 0.00 N ATOM 856 CA ARG A 61 -8.569 -8.151 2.529 1.00 0.00 C ATOM 857 C ARG A 61 -7.620 -7.103 1.942 1.00 0.00 C ATOM 858 O ARG A 61 -7.328 -7.125 0.748 1.00 0.00 O ATOM 859 CB ARG A 61 -7.753 -9.195 3.295 1.00 0.00 C ATOM 860 CG ARG A 61 -8.351 -9.449 4.680 1.00 0.00 C ATOM 861 CD ARG A 61 -7.576 -10.541 5.420 1.00 0.00 C ATOM 862 NE ARG A 61 -7.529 -10.237 6.867 1.00 0.00 N ATOM 863 CZ ARG A 61 -8.587 -10.314 7.686 1.00 0.00 C ATOM 864 NH1 ARG A 61 -9.781 -10.685 7.204 1.00 0.00 N ATOM 865 NH2 ARG A 61 -8.451 -10.020 8.986 1.00 0.00 N ATOM 0 H ARG A 61 -9.419 -9.786 1.532 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.264 -7.672 3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.726 -10.127 2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.723 -8.854 3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.333 -8.528 5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.396 -9.743 4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.051 -11.508 5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.564 -10.613 5.022 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.635 -9.951 7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.884 -10.909 6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.587 -10.744 7.827 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.542 -9.737 9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.256 -10.079 9.609 1.00 0.00 H new ATOM 879 N VAL A 62 -7.167 -6.210 2.810 1.00 0.00 N ATOM 880 CA VAL A 62 -6.258 -5.156 2.393 1.00 0.00 C ATOM 881 C VAL A 62 -4.961 -5.259 3.197 1.00 0.00 C ATOM 882 O VAL A 62 -4.978 -5.658 4.361 1.00 0.00 O ATOM 883 CB VAL A 62 -6.939 -3.793 2.530 1.00 0.00 C ATOM 884 CG1 VAL A 62 -5.987 -2.662 2.136 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.226 -3.738 1.704 1.00 0.00 C ATOM 0 H VAL A 62 -7.413 -6.195 3.800 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.998 -5.271 1.341 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.206 -3.656 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.496 -1.704 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.111 -2.681 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.675 -2.794 1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.690 -2.759 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.991 -3.907 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.914 -4.509 2.051 1.00 0.00 H new ATOM 895 N THR A 63 -3.867 -4.893 2.546 1.00 0.00 N ATOM 896 CA THR A 63 -2.563 -4.940 3.186 1.00 0.00 C ATOM 897 C THR A 63 -1.930 -3.547 3.208 1.00 0.00 C ATOM 898 O THR A 63 -1.558 -3.014 2.163 1.00 0.00 O ATOM 899 CB THR A 63 -1.714 -5.982 2.455 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.101 -7.220 3.045 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.225 -5.860 2.785 1.00 0.00 C ATOM 0 H THR A 63 -3.857 -4.562 1.581 1.00 0.00 H new ATOM 0 HA THR A 63 -2.645 -5.242 4.230 1.00 0.00 H new ATOM 0 HB THR A 63 -1.856 -5.877 1.379 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.863 -7.957 2.445 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.332 -6.622 2.240 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.132 -4.872 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.077 -5.998 3.856 1.00 0.00 H new ATOM 909 N HIS A 64 -1.827 -2.998 4.409 1.00 0.00 N ATOM 910 CA HIS A 64 -1.245 -1.677 4.581 1.00 0.00 C ATOM 911 C HIS A 64 0.251 -1.810 4.873 1.00 0.00 C ATOM 912 O HIS A 64 0.640 -2.195 5.974 1.00 0.00 O ATOM 913 CB HIS A 64 -1.993 -0.890 5.659 1.00 0.00 C ATOM 914 CG HIS A 64 -3.474 -0.751 5.402 1.00 0.00 C ATOM 915 ND1 HIS A 64 -4.055 0.436 4.990 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.485 -1.661 5.501 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.358 0.237 4.852 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.623 -1.063 5.170 1.00 0.00 N ATOM 0 H HIS A 64 -2.137 -3.443 5.273 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.350 -1.106 3.659 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.846 -1.382 6.621 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.554 0.104 5.739 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.564 1.314 4.821 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.378 -2.694 5.798 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.083 0.975 4.542 1.00 0.00 H new ATOM 926 N ILE A 65 1.049 -1.483 3.867 1.00 0.00 N ATOM 927 CA ILE A 65 2.493 -1.561 4.002 1.00 0.00 C ATOM 928 C ILE A 65 3.044 -0.176 4.348 1.00 0.00 C ATOM 929 O ILE A 65 3.227 0.661 3.465 1.00 0.00 O ATOM 930 CB ILE A 65 3.117 -2.175 2.748 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.687 -3.634 2.580 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.639 -2.024 2.761 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.771 -3.800 1.366 1.00 0.00 C ATOM 0 H ILE A 65 0.722 -1.163 2.955 1.00 0.00 H new ATOM 0 HA ILE A 65 2.763 -2.226 4.822 1.00 0.00 H new ATOM 0 HB ILE A 65 2.748 -1.628 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.568 -4.265 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.170 -3.970 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.057 -2.469 1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.899 -0.966 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.047 -2.529 3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.480 -4.846 1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.880 -3.186 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.299 -3.486 0.466 1.00 0.00 H new ATOM 945 N LYS A 66 3.293 0.023 5.633 1.00 0.00 N ATOM 946 CA LYS A 66 3.820 1.293 6.106 1.00 0.00 C ATOM 947 C LYS A 66 5.192 1.537 5.476 1.00 0.00 C ATOM 948 O LYS A 66 5.992 0.612 5.343 1.00 0.00 O ATOM 949 CB LYS A 66 3.829 1.333 7.636 1.00 0.00 C ATOM 950 CG LYS A 66 2.547 1.970 8.175 1.00 0.00 C ATOM 951 CD LYS A 66 2.317 1.585 9.638 1.00 0.00 C ATOM 952 CE LYS A 66 1.167 2.392 10.243 1.00 0.00 C ATOM 953 NZ LYS A 66 -0.064 1.572 10.306 1.00 0.00 N ATOM 0 H LYS A 66 3.140 -0.673 6.362 1.00 0.00 H new ATOM 0 HA LYS A 66 3.175 2.114 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.930 0.321 8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.694 1.898 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.610 3.055 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.697 1.650 7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.094 0.520 9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.228 1.758 10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.438 2.729 11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.986 3.285 9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.835 2.135 10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.330 1.271 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.107 0.733 10.897 1.00 0.00 H new ATOM 967 N VAL A 67 5.423 2.788 5.104 1.00 0.00 N ATOM 968 CA VAL A 67 6.685 3.166 4.492 1.00 0.00 C ATOM 969 C VAL A 67 7.454 4.086 5.442 1.00 0.00 C ATOM 970 O VAL A 67 7.111 5.258 5.589 1.00 0.00 O ATOM 971 CB VAL A 67 6.433 3.798 3.121 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.681 4.522 2.613 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.959 2.750 2.113 1.00 0.00 C ATOM 0 H VAL A 67 4.757 3.553 5.215 1.00 0.00 H new ATOM 0 HA VAL A 67 7.305 2.286 4.321 1.00 0.00 H new ATOM 0 HB VAL A 67 5.640 4.537 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.475 4.962 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.956 5.309 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.503 3.812 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.787 3.226 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.720 1.977 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.031 2.299 2.466 1.00 0.00 H new ATOM 983 N MET A 68 8.478 3.520 6.063 1.00 0.00 N ATOM 984 CA MET A 68 9.298 4.275 6.995 1.00 0.00 C ATOM 985 C MET A 68 10.224 5.240 6.254 1.00 0.00 C ATOM 986 O MET A 68 11.014 4.823 5.408 1.00 0.00 O ATOM 987 CB MET A 68 10.135 3.309 7.837 1.00 0.00 C ATOM 988 CG MET A 68 9.298 2.695 8.961 1.00 0.00 C ATOM 989 SD MET A 68 9.991 1.125 9.450 1.00 0.00 S ATOM 990 CE MET A 68 9.106 0.038 8.345 1.00 0.00 C ATOM 0 H MET A 68 8.759 2.547 5.939 1.00 0.00 H new ATOM 0 HA MET A 68 8.639 4.857 7.640 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.533 2.518 7.201 1.00 0.00 H new ATOM 0 HB3 MET A 68 10.989 3.837 8.261 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.270 3.371 9.815 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.269 2.560 8.627 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.270 -0.997 8.644 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.041 0.264 8.388 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.466 0.182 7.327 1.00 0.00 H new ATOM 1000 N CYS A 69 10.097 6.514 6.598 1.00 0.00 N ATOM 1001 CA CYS A 69 10.913 7.542 5.975 1.00 0.00 C ATOM 1002 C CYS A 69 11.921 8.047 7.009 1.00 0.00 C ATOM 1003 O CYS A 69 11.618 8.949 7.788 1.00 0.00 O ATOM 1004 CB CYS A 69 10.058 8.678 5.410 1.00 0.00 C ATOM 1005 SG CYS A 69 11.130 10.054 4.858 1.00 0.00 S ATOM 0 H CYS A 69 9.441 6.857 7.300 1.00 0.00 H new ATOM 0 HA CYS A 69 11.447 7.120 5.124 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.461 8.314 4.574 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.361 9.032 6.169 1.00 0.00 H new ATOM 0 HG CYS A 69 10.394 11.012 4.378 1.00 0.00 H new ATOM 1011 N GLU A 70 13.100 7.443 6.983 1.00 0.00 N ATOM 1012 CA GLU A 70 14.155 7.820 7.908 1.00 0.00 C ATOM 1013 C GLU A 70 15.427 8.187 7.142 1.00 0.00 C ATOM 1014 O GLU A 70 15.736 7.581 6.117 1.00 0.00 O ATOM 1015 CB GLU A 70 14.425 6.702 8.917 1.00 0.00 C ATOM 1016 CG GLU A 70 14.973 5.455 8.219 1.00 0.00 C ATOM 1017 CD GLU A 70 16.283 4.997 8.863 1.00 0.00 C ATOM 1018 OE1 GLU A 70 16.198 4.184 9.808 1.00 0.00 O ATOM 1019 OE2 GLU A 70 17.341 5.472 8.395 1.00 0.00 O ATOM 0 H GLU A 70 13.348 6.695 6.336 1.00 0.00 H new ATOM 0 HA GLU A 70 13.826 8.696 8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.138 7.047 9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.504 6.453 9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.238 4.652 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 70 15.138 5.668 7.163 1.00 0.00 H new ATOM 1026 N GLY A 71 16.132 9.178 7.668 1.00 0.00 N ATOM 1027 CA GLY A 71 17.364 9.633 7.047 1.00 0.00 C ATOM 1028 C GLY A 71 17.154 9.918 5.558 1.00 0.00 C ATOM 1029 O GLY A 71 18.066 9.735 4.753 1.00 0.00 O ATOM 0 H GLY A 71 15.873 9.679 8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.716 10.535 7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.139 8.876 7.171 1.00 0.00 H new ATOM 1033 N GLY A 72 15.948 10.362 5.238 1.00 0.00 N ATOM 1034 CA GLY A 72 15.606 10.674 3.860 1.00 0.00 C ATOM 1035 C GLY A 72 15.555 9.405 3.007 1.00 0.00 C ATOM 1036 O GLY A 72 15.731 9.463 1.791 1.00 0.00 O ATOM 0 H GLY A 72 15.195 10.513 5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.640 11.178 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.341 11.365 3.447 1.00 0.00 H new ATOM 1040 N ARG A 73 15.314 8.289 3.678 1.00 0.00 N ATOM 1041 CA ARG A 73 15.237 7.008 2.996 1.00 0.00 C ATOM 1042 C ARG A 73 13.907 6.319 3.309 1.00 0.00 C ATOM 1043 O ARG A 73 13.413 6.397 4.433 1.00 0.00 O ATOM 1044 CB ARG A 73 16.389 6.091 3.414 1.00 0.00 C ATOM 1045 CG ARG A 73 17.662 6.419 2.631 1.00 0.00 C ATOM 1046 CD ARG A 73 18.877 5.719 3.243 1.00 0.00 C ATOM 1047 NE ARG A 73 19.874 5.423 2.190 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.950 4.645 2.371 1.00 0.00 C ATOM 1049 NH1 ARG A 73 21.175 4.081 3.566 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.801 4.432 1.358 1.00 0.00 N ATOM 0 H ARG A 73 15.169 8.245 4.687 1.00 0.00 H new ATOM 0 HA ARG A 73 15.309 7.198 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.576 6.200 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.111 5.051 3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.544 6.110 1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.823 7.497 2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.323 6.352 4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.567 4.795 3.732 1.00 0.00 H new ATOM 0 HE ARG A 73 19.733 5.837 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.527 4.244 4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.994 3.489 3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.630 4.862 0.449 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.620 3.840 1.496 1.00 0.00 H new ATOM 1064 N TYR A 74 13.366 5.659 2.295 1.00 0.00 N ATOM 1065 CA TYR A 74 12.103 4.957 2.448 1.00 0.00 C ATOM 1066 C TYR A 74 12.326 3.447 2.560 1.00 0.00 C ATOM 1067 O TYR A 74 13.145 2.882 1.837 1.00 0.00 O ATOM 1068 CB TYR A 74 11.302 5.250 1.178 1.00 0.00 C ATOM 1069 CG TYR A 74 10.681 6.648 1.143 1.00 0.00 C ATOM 1070 CD1 TYR A 74 9.765 7.021 2.105 1.00 0.00 C ATOM 1071 CD2 TYR A 74 11.038 7.536 0.149 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.181 8.337 2.072 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.454 8.852 0.116 1.00 0.00 C ATOM 1074 CZ TYR A 74 9.554 9.187 1.079 1.00 0.00 C ATOM 1075 OH TYR A 74 9.003 10.430 1.047 1.00 0.00 O ATOM 0 H TYR A 74 13.779 5.596 1.365 1.00 0.00 H new ATOM 0 HA TYR A 74 11.588 5.284 3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.955 5.132 0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.509 4.509 1.082 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.486 6.326 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.755 7.244 -0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.463 8.642 2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.725 9.557 -0.656 1.00 0.00 H new ATOM 0 HH TYR A 74 8.191 10.442 1.596 1.00 0.00 H new ATOM 1085 N THR A 75 11.581 2.837 3.470 1.00 0.00 N ATOM 1086 CA THR A 75 11.686 1.404 3.686 1.00 0.00 C ATOM 1087 C THR A 75 10.394 0.861 4.299 1.00 0.00 C ATOM 1088 O THR A 75 9.728 1.553 5.067 1.00 0.00 O ATOM 1089 CB THR A 75 12.924 1.145 4.548 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.774 -0.206 4.973 1.00 0.00 O ATOM 1091 CG2 THR A 75 12.910 1.950 5.849 1.00 0.00 C ATOM 0 H THR A 75 10.902 3.309 4.067 1.00 0.00 H new ATOM 0 HA THR A 75 11.811 0.870 2.744 1.00 0.00 H new ATOM 0 HB THR A 75 13.821 1.391 3.979 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.658 -0.604 5.115 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.810 1.729 6.423 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.879 3.015 5.618 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.031 1.680 6.434 1.00 0.00 H new ATOM 1099 N VAL A 76 10.079 -0.374 3.937 1.00 0.00 N ATOM 1100 CA VAL A 76 8.879 -1.018 4.442 1.00 0.00 C ATOM 1101 C VAL A 76 9.220 -1.796 5.715 1.00 0.00 C ATOM 1102 O VAL A 76 8.380 -2.520 6.248 1.00 0.00 O ATOM 1103 CB VAL A 76 8.258 -1.896 3.353 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.232 -1.166 2.009 1.00 0.00 C ATOM 1105 CG2 VAL A 76 8.997 -3.231 3.238 1.00 0.00 C ATOM 0 H VAL A 76 10.634 -0.945 3.300 1.00 0.00 H new ATOM 0 HA VAL A 76 8.129 -0.273 4.707 1.00 0.00 H new ATOM 0 HB VAL A 76 7.228 -2.107 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.786 -1.812 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.642 -0.254 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.250 -0.911 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.536 -3.836 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.042 -3.048 2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.941 -3.761 4.189 1.00 0.00 H new ATOM 1115 N GLY A 77 10.453 -1.621 6.165 1.00 0.00 N ATOM 1116 CA GLY A 77 10.916 -2.297 7.365 1.00 0.00 C ATOM 1117 C GLY A 77 12.035 -3.288 7.039 1.00 0.00 C ATOM 1118 O GLY A 77 12.261 -4.241 7.784 1.00 0.00 O ATOM 0 H GLY A 77 11.147 -1.020 5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.275 -1.562 8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.085 -2.823 7.834 1.00 0.00 H new ATOM 1122 N GLY A 78 12.705 -3.029 5.926 1.00 0.00 N ATOM 1123 CA GLY A 78 13.795 -3.887 5.493 1.00 0.00 C ATOM 1124 C GLY A 78 15.097 -3.094 5.359 1.00 0.00 C ATOM 1125 O GLY A 78 15.110 -1.879 5.550 1.00 0.00 O ATOM 0 H GLY A 78 12.514 -2.238 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.931 -4.698 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.544 -4.345 4.536 1.00 0.00 H new ATOM 1129 N LEU A 79 16.160 -3.813 5.031 1.00 0.00 N ATOM 1130 CA LEU A 79 17.463 -3.192 4.869 1.00 0.00 C ATOM 1131 C LEU A 79 17.425 -2.242 3.670 1.00 0.00 C ATOM 1132 O LEU A 79 17.867 -1.098 3.765 1.00 0.00 O ATOM 1133 CB LEU A 79 18.557 -4.258 4.774 1.00 0.00 C ATOM 1134 CG LEU A 79 19.181 -4.697 6.100 1.00 0.00 C ATOM 1135 CD1 LEU A 79 20.200 -3.669 6.595 1.00 0.00 C ATOM 1136 CD2 LEU A 79 18.101 -4.983 7.146 1.00 0.00 C ATOM 0 H LEU A 79 16.145 -4.821 4.873 1.00 0.00 H new ATOM 0 HA LEU A 79 17.710 -2.592 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.139 -5.137 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.350 -3.880 4.129 1.00 0.00 H new ATOM 0 HG LEU A 79 19.721 -5.629 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.628 -4.006 7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.993 -3.558 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 79 19.706 -2.709 6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.571 -5.293 8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 79 17.513 -4.081 7.318 1.00 0.00 H new ATOM 0 HD23 LEU A 79 17.448 -5.779 6.787 1.00 0.00 H new ATOM 1148 N GLU A 80 16.893 -2.752 2.568 1.00 0.00 N ATOM 1149 CA GLU A 80 16.792 -1.963 1.352 1.00 0.00 C ATOM 1150 C GLU A 80 16.082 -0.638 1.637 1.00 0.00 C ATOM 1151 O GLU A 80 15.241 -0.559 2.531 1.00 0.00 O ATOM 1152 CB GLU A 80 16.074 -2.744 0.250 1.00 0.00 C ATOM 1153 CG GLU A 80 16.923 -3.924 -0.228 1.00 0.00 C ATOM 1154 CD GLU A 80 16.177 -5.247 -0.045 1.00 0.00 C ATOM 1155 OE1 GLU A 80 15.407 -5.596 -0.965 1.00 0.00 O ATOM 1156 OE2 GLU A 80 16.393 -5.879 1.011 1.00 0.00 O ATOM 0 H GLU A 80 16.528 -3.701 2.492 1.00 0.00 H new ATOM 0 HA GLU A 80 17.800 -1.744 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.116 -3.108 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.860 -2.082 -0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.180 -3.790 -1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.860 -3.951 0.328 1.00 0.00 H new ATOM 1163 N THR A 81 16.446 0.371 0.858 1.00 0.00 N ATOM 1164 CA THR A 81 15.854 1.689 1.015 1.00 0.00 C ATOM 1165 C THR A 81 15.622 2.335 -0.352 1.00 0.00 C ATOM 1166 O THR A 81 15.924 1.738 -1.384 1.00 0.00 O ATOM 1167 CB THR A 81 16.765 2.510 1.929 1.00 0.00 C ATOM 1168 OG1 THR A 81 18.082 2.167 1.507 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.708 2.044 3.386 1.00 0.00 C ATOM 0 H THR A 81 17.143 0.302 0.117 1.00 0.00 H new ATOM 0 HA THR A 81 14.871 1.629 1.482 1.00 0.00 H new ATOM 0 HB THR A 81 16.482 3.561 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.737 2.657 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.373 2.660 3.991 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.688 2.137 3.758 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.023 1.002 3.447 1.00 0.00 H new ATOM 1177 N PHE A 82 15.087 3.547 -0.314 1.00 0.00 N ATOM 1178 CA PHE A 82 14.811 4.281 -1.537 1.00 0.00 C ATOM 1179 C PHE A 82 14.804 5.790 -1.282 1.00 0.00 C ATOM 1180 O PHE A 82 14.737 6.228 -0.134 1.00 0.00 O ATOM 1181 CB PHE A 82 13.423 3.850 -2.014 1.00 0.00 C ATOM 1182 CG PHE A 82 13.214 2.334 -2.034 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.607 1.608 -3.115 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.637 1.713 -0.971 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.413 0.202 -3.134 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.444 0.306 -0.990 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.836 -0.420 -2.071 1.00 0.00 C ATOM 0 H PHE A 82 14.838 4.039 0.544 1.00 0.00 H new ATOM 0 HA PHE A 82 15.580 4.069 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.671 4.301 -1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.257 4.243 -3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.067 2.101 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.326 2.289 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.724 -0.374 -3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.986 -0.187 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.689 -1.490 -2.085 1.00 0.00 H new ATOM 1197 N ASP A 83 14.874 6.542 -2.370 1.00 0.00 N ATOM 1198 CA ASP A 83 14.876 7.992 -2.278 1.00 0.00 C ATOM 1199 C ASP A 83 13.467 8.519 -2.557 1.00 0.00 C ATOM 1200 O ASP A 83 13.001 9.439 -1.888 1.00 0.00 O ATOM 1201 CB ASP A 83 15.824 8.608 -3.309 1.00 0.00 C ATOM 1202 CG ASP A 83 17.175 9.063 -2.754 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.960 8.171 -2.368 1.00 0.00 O ATOM 1204 OD2 ASP A 83 17.393 10.294 -2.729 1.00 0.00 O ATOM 0 H ASP A 83 14.930 6.175 -3.320 1.00 0.00 H new ATOM 0 HA ASP A 83 15.206 8.266 -1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.000 7.879 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.330 9.464 -3.769 1.00 0.00 H new ATOM 1209 N SER A 84 12.829 7.913 -3.548 1.00 0.00 N ATOM 1210 CA SER A 84 11.483 8.309 -3.924 1.00 0.00 C ATOM 1211 C SER A 84 10.546 7.101 -3.867 1.00 0.00 C ATOM 1212 O SER A 84 10.951 5.982 -4.179 1.00 0.00 O ATOM 1213 CB SER A 84 11.462 8.931 -5.322 1.00 0.00 C ATOM 1214 OG SER A 84 12.450 9.947 -5.469 1.00 0.00 O ATOM 0 H SER A 84 13.220 7.151 -4.102 1.00 0.00 H new ATOM 0 HA SER A 84 11.138 9.062 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.628 8.153 -6.067 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.476 9.353 -5.516 1.00 0.00 H new ATOM 0 HG SER A 84 12.406 10.318 -6.375 1.00 0.00 H new ATOM 1220 N LEU A 85 9.312 7.368 -3.465 1.00 0.00 N ATOM 1221 CA LEU A 85 8.314 6.316 -3.363 1.00 0.00 C ATOM 1222 C LEU A 85 8.252 5.548 -4.685 1.00 0.00 C ATOM 1223 O LEU A 85 7.927 4.362 -4.703 1.00 0.00 O ATOM 1224 CB LEU A 85 6.968 6.895 -2.924 1.00 0.00 C ATOM 1225 CG LEU A 85 6.645 6.786 -1.433 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.183 5.372 -1.074 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.833 7.235 -0.580 1.00 0.00 C ATOM 0 H LEU A 85 8.980 8.297 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 85 8.593 5.599 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.939 7.948 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.179 6.393 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 85 5.818 7.461 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.960 5.322 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.287 5.126 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.972 4.660 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.577 7.148 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.696 6.605 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.074 8.273 -0.810 1.00 0.00 H new ATOM 1239 N THR A 86 8.569 6.256 -5.759 1.00 0.00 N ATOM 1240 CA THR A 86 8.553 5.655 -7.082 1.00 0.00 C ATOM 1241 C THR A 86 9.570 4.514 -7.162 1.00 0.00 C ATOM 1242 O THR A 86 9.226 3.399 -7.550 1.00 0.00 O ATOM 1243 CB THR A 86 8.802 6.763 -8.107 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.571 7.480 -8.149 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.965 6.221 -9.528 1.00 0.00 C ATOM 0 H THR A 86 8.838 7.240 -5.740 1.00 0.00 H new ATOM 0 HA THR A 86 7.586 5.202 -7.299 1.00 0.00 H new ATOM 0 HB THR A 86 9.695 7.322 -7.827 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.916 7.040 -7.568 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.139 7.049 -10.215 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.813 5.537 -9.561 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.059 5.691 -9.821 1.00 0.00 H new ATOM 1253 N ASP A 87 10.800 4.834 -6.790 1.00 0.00 N ATOM 1254 CA ASP A 87 11.869 3.850 -6.815 1.00 0.00 C ATOM 1255 C ASP A 87 11.554 2.736 -5.814 1.00 0.00 C ATOM 1256 O ASP A 87 12.147 1.659 -5.871 1.00 0.00 O ATOM 1257 CB ASP A 87 13.206 4.478 -6.417 1.00 0.00 C ATOM 1258 CG ASP A 87 14.220 4.615 -7.554 1.00 0.00 C ATOM 1259 OD1 ASP A 87 14.547 3.567 -8.152 1.00 0.00 O ATOM 1260 OD2 ASP A 87 14.646 5.764 -7.800 1.00 0.00 O ATOM 0 H ASP A 87 11.081 5.761 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 87 11.943 3.458 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.016 5.467 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.651 3.877 -5.624 1.00 0.00 H new ATOM 1265 N LEU A 88 10.621 3.032 -4.922 1.00 0.00 N ATOM 1266 CA LEU A 88 10.220 2.069 -3.910 1.00 0.00 C ATOM 1267 C LEU A 88 9.099 1.188 -4.467 1.00 0.00 C ATOM 1268 O LEU A 88 9.167 -0.037 -4.382 1.00 0.00 O ATOM 1269 CB LEU A 88 9.852 2.782 -2.608 1.00 0.00 C ATOM 1270 CG LEU A 88 9.266 1.900 -1.503 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.356 2.594 -0.142 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.834 1.480 -1.838 1.00 0.00 C ATOM 0 H LEU A 88 10.131 3.925 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 88 11.051 1.409 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.745 3.271 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.133 3.568 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 88 9.862 0.990 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.933 1.946 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.400 2.801 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.799 3.530 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.441 0.854 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.210 2.367 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.829 0.919 -2.772 1.00 0.00 H new ATOM 1284 N VAL A 89 8.093 1.847 -5.024 1.00 0.00 N ATOM 1285 CA VAL A 89 6.959 1.140 -5.594 1.00 0.00 C ATOM 1286 C VAL A 89 7.418 0.362 -6.829 1.00 0.00 C ATOM 1287 O VAL A 89 6.967 -0.758 -7.065 1.00 0.00 O ATOM 1288 CB VAL A 89 5.826 2.123 -5.893 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.757 1.475 -6.775 1.00 0.00 C ATOM 1290 CG2 VAL A 89 5.214 2.664 -4.599 1.00 0.00 C ATOM 0 H VAL A 89 8.040 2.863 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 89 6.563 0.416 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 89 6.249 2.965 -6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.963 2.195 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.205 1.161 -7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.341 0.607 -6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.411 3.361 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.813 1.837 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.981 3.180 -4.022 1.00 0.00 H new ATOM 1300 N GLU A 90 8.308 0.988 -7.586 1.00 0.00 N ATOM 1301 CA GLU A 90 8.832 0.368 -8.791 1.00 0.00 C ATOM 1302 C GLU A 90 9.789 -0.770 -8.431 1.00 0.00 C ATOM 1303 O GLU A 90 10.250 -1.499 -9.307 1.00 0.00 O ATOM 1304 CB GLU A 90 9.521 1.402 -9.684 1.00 0.00 C ATOM 1305 CG GLU A 90 8.496 2.198 -10.495 1.00 0.00 C ATOM 1306 CD GLU A 90 8.851 2.192 -11.983 1.00 0.00 C ATOM 1307 OE1 GLU A 90 8.824 1.088 -12.568 1.00 0.00 O ATOM 1308 OE2 GLU A 90 9.140 3.292 -12.502 1.00 0.00 O ATOM 0 H GLU A 90 8.679 1.917 -7.388 1.00 0.00 H new ATOM 0 HA GLU A 90 7.997 -0.051 -9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.111 2.082 -9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.214 0.900 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.503 1.771 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.457 3.225 -10.131 1.00 0.00 H new ATOM 1315 N HIS A 91 10.058 -0.886 -7.138 1.00 0.00 N ATOM 1316 CA HIS A 91 10.952 -1.923 -6.651 1.00 0.00 C ATOM 1317 C HIS A 91 10.141 -3.166 -6.280 1.00 0.00 C ATOM 1318 O HIS A 91 10.419 -4.261 -6.766 1.00 0.00 O ATOM 1319 CB HIS A 91 11.805 -1.404 -5.492 1.00 0.00 C ATOM 1320 CG HIS A 91 12.424 -2.493 -4.649 1.00 0.00 C ATOM 1321 ND1 HIS A 91 11.940 -3.164 -3.564 1.00 0.00 N flip ATOM 1322 CD2 HIS A 91 13.688 -3.002 -4.891 1.00 0.00 C flip ATOM 1323 CE1 HIS A 91 12.858 -4.036 -3.166 1.00 0.00 C flip ATOM 1324 NE2 HIS A 91 13.942 -3.937 -3.987 1.00 0.00 N flip ATOM 0 H HIS A 91 9.673 -0.280 -6.414 1.00 0.00 H new ATOM 0 HA HIS A 91 11.649 -2.208 -7.439 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.599 -0.773 -5.893 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.187 -0.772 -4.854 1.00 0.00 H new ATOM 0 HD1 HIS A 91 11.027 -3.020 -3.132 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.354 -2.690 -5.682 1.00 0.00 H new ATOM 0 HE1 HIS A 91 12.762 -4.713 -2.330 1.00 0.00 H new ATOM 1332 N PHE A 92 9.154 -2.955 -5.421 1.00 0.00 N ATOM 1333 CA PHE A 92 8.301 -4.045 -4.979 1.00 0.00 C ATOM 1334 C PHE A 92 7.242 -4.375 -6.033 1.00 0.00 C ATOM 1335 O PHE A 92 6.509 -5.353 -5.896 1.00 0.00 O ATOM 1336 CB PHE A 92 7.602 -3.576 -3.701 1.00 0.00 C ATOM 1337 CG PHE A 92 8.535 -3.442 -2.495 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.912 -4.548 -1.801 1.00 0.00 C ATOM 1339 CD2 PHE A 92 8.986 -2.215 -2.118 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.778 -4.424 -0.682 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.851 -2.090 -0.999 1.00 0.00 C ATOM 1342 CZ PHE A 92 10.229 -3.197 -0.305 1.00 0.00 C ATOM 0 H PHE A 92 8.926 -2.045 -5.020 1.00 0.00 H new ATOM 0 HA PHE A 92 8.899 -4.941 -4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.129 -2.612 -3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.806 -4.279 -3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.553 -5.522 -2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.686 -1.336 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.078 -5.303 -0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.209 -1.116 -0.699 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.887 -3.102 0.546 1.00 0.00 H new ATOM 1352 N LYS A 93 7.196 -3.540 -7.061 1.00 0.00 N ATOM 1353 CA LYS A 93 6.240 -3.731 -8.137 1.00 0.00 C ATOM 1354 C LYS A 93 6.551 -5.041 -8.865 1.00 0.00 C ATOM 1355 O LYS A 93 5.747 -5.518 -9.664 1.00 0.00 O ATOM 1356 CB LYS A 93 6.216 -2.508 -9.056 1.00 0.00 C ATOM 1357 CG LYS A 93 4.992 -1.634 -8.775 1.00 0.00 C ATOM 1358 CD LYS A 93 5.038 -0.345 -9.598 1.00 0.00 C ATOM 1359 CE LYS A 93 5.052 -0.651 -11.097 1.00 0.00 C ATOM 1360 NZ LYS A 93 4.335 0.403 -11.848 1.00 0.00 N ATOM 0 H LYS A 93 7.806 -2.730 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 93 5.230 -3.821 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.125 -1.924 -8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.205 -2.831 -10.097 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.083 -2.188 -9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.951 -1.391 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.174 0.275 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.926 0.229 -9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.081 -0.721 -11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.585 -1.619 -11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.354 0.180 -12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.348 0.451 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.798 1.320 -11.687 1.00 0.00 H new ATOM 1374 N LYS A 94 7.721 -5.585 -8.561 1.00 0.00 N ATOM 1375 CA LYS A 94 8.149 -6.830 -9.176 1.00 0.00 C ATOM 1376 C LYS A 94 8.422 -7.866 -8.083 1.00 0.00 C ATOM 1377 O LYS A 94 7.759 -8.900 -8.023 1.00 0.00 O ATOM 1378 CB LYS A 94 9.339 -6.587 -10.105 1.00 0.00 C ATOM 1379 CG LYS A 94 9.963 -5.214 -9.850 1.00 0.00 C ATOM 1380 CD LYS A 94 11.311 -5.083 -10.562 1.00 0.00 C ATOM 1381 CE LYS A 94 11.689 -3.613 -10.754 1.00 0.00 C ATOM 1382 NZ LYS A 94 12.736 -3.478 -11.791 1.00 0.00 N ATOM 0 H LYS A 94 8.385 -5.186 -7.897 1.00 0.00 H new ATOM 0 HA LYS A 94 7.359 -7.234 -9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.088 -7.364 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.014 -6.655 -11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.287 -4.433 -10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.098 -5.065 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.083 -5.588 -9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.264 -5.580 -11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.808 -3.039 -11.042 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.046 -3.197 -9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.981 -2.474 -11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.582 -4.009 -11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.382 -3.856 -12.693 1.00 0.00 H new ATOM 1396 N THR A 95 9.401 -7.552 -7.247 1.00 0.00 N ATOM 1397 CA THR A 95 9.770 -8.442 -6.160 1.00 0.00 C ATOM 1398 C THR A 95 8.540 -8.806 -5.326 1.00 0.00 C ATOM 1399 O THR A 95 8.485 -9.880 -4.730 1.00 0.00 O ATOM 1400 CB THR A 95 10.875 -7.763 -5.348 1.00 0.00 C ATOM 1401 OG1 THR A 95 10.233 -6.632 -4.765 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.965 -7.157 -6.234 1.00 0.00 C ATOM 0 H THR A 95 9.950 -6.694 -7.301 1.00 0.00 H new ATOM 0 HA THR A 95 10.158 -9.388 -6.538 1.00 0.00 H new ATOM 0 HB THR A 95 11.322 -8.488 -4.667 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.878 -6.135 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.724 -6.688 -5.608 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.424 -7.942 -6.834 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.524 -6.408 -6.892 1.00 0.00 H new ATOM 1410 N GLY A 96 7.583 -7.890 -5.312 1.00 0.00 N ATOM 1411 CA GLY A 96 6.356 -8.101 -4.562 1.00 0.00 C ATOM 1412 C GLY A 96 6.585 -7.882 -3.065 1.00 0.00 C ATOM 1413 O GLY A 96 7.668 -7.471 -2.652 1.00 0.00 O ATOM 0 H GLY A 96 7.632 -7.000 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.585 -7.418 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.990 -9.113 -4.733 1.00 0.00 H new ATOM 1417 N ILE A 97 5.547 -8.166 -2.293 1.00 0.00 N ATOM 1418 CA ILE A 97 5.620 -8.006 -0.850 1.00 0.00 C ATOM 1419 C ILE A 97 5.212 -9.316 -0.174 1.00 0.00 C ATOM 1420 O ILE A 97 4.375 -10.053 -0.695 1.00 0.00 O ATOM 1421 CB ILE A 97 4.794 -6.799 -0.403 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.435 -5.491 -0.872 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.572 -6.817 1.111 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.368 -4.455 -1.232 1.00 0.00 C ATOM 0 H ILE A 97 4.650 -8.506 -2.639 1.00 0.00 H new ATOM 0 HA ILE A 97 6.644 -7.794 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 97 3.813 -6.864 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.080 -5.096 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.068 -5.682 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.982 -5.948 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.040 -7.727 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.535 -6.789 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.851 -3.535 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.740 -4.843 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.752 -4.248 -0.357 1.00 0.00 H new ATOM 1436 N GLU A 98 5.820 -9.566 0.976 1.00 0.00 N ATOM 1437 CA GLU A 98 5.530 -10.774 1.729 1.00 0.00 C ATOM 1438 C GLU A 98 4.676 -10.444 2.954 1.00 0.00 C ATOM 1439 O GLU A 98 4.981 -9.510 3.695 1.00 0.00 O ATOM 1440 CB GLU A 98 6.819 -11.490 2.136 1.00 0.00 C ATOM 1441 CG GLU A 98 6.516 -12.726 2.986 1.00 0.00 C ATOM 1442 CD GLU A 98 7.559 -12.899 4.092 1.00 0.00 C ATOM 1443 OE1 GLU A 98 8.058 -11.858 4.569 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.833 -14.070 4.435 1.00 0.00 O ATOM 0 H GLU A 98 6.513 -8.952 1.405 1.00 0.00 H new ATOM 0 HA GLU A 98 4.965 -11.451 1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.373 -11.784 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.457 -10.807 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.524 -12.634 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.502 -13.613 2.353 1.00 0.00 H new ATOM 1451 N GLU A 99 3.623 -11.228 3.131 1.00 0.00 N ATOM 1452 CA GLU A 99 2.723 -11.030 4.255 1.00 0.00 C ATOM 1453 C GLU A 99 3.175 -11.869 5.451 1.00 0.00 C ATOM 1454 O GLU A 99 4.112 -12.659 5.342 1.00 0.00 O ATOM 1455 CB GLU A 99 1.280 -11.362 3.866 1.00 0.00 C ATOM 1456 CG GLU A 99 0.514 -10.097 3.474 1.00 0.00 C ATOM 1457 CD GLU A 99 -0.938 -10.165 3.953 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.150 -9.911 5.158 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.802 -10.470 3.103 1.00 0.00 O ATOM 0 H GLU A 99 3.373 -12.002 2.515 1.00 0.00 H new ATOM 0 HA GLU A 99 2.755 -9.979 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.277 -12.066 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.778 -11.852 4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.003 -9.223 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.538 -9.974 2.391 1.00 0.00 H new ATOM 1466 N ALA A 100 2.488 -11.670 6.567 1.00 0.00 N ATOM 1467 CA ALA A 100 2.808 -12.398 7.783 1.00 0.00 C ATOM 1468 C ALA A 100 2.087 -13.747 7.768 1.00 0.00 C ATOM 1469 O ALA A 100 2.376 -14.618 8.588 1.00 0.00 O ATOM 1470 CB ALA A 100 2.433 -11.550 9.000 1.00 0.00 C ATOM 0 H ALA A 100 1.711 -11.015 6.654 1.00 0.00 H new ATOM 0 HA ALA A 100 3.878 -12.596 7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.673 -12.096 9.912 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.993 -10.615 8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.365 -11.333 8.977 1.00 0.00 H new ATOM 1476 N SER A 101 1.163 -13.878 6.828 1.00 0.00 N ATOM 1477 CA SER A 101 0.399 -15.107 6.696 1.00 0.00 C ATOM 1478 C SER A 101 1.082 -16.044 5.698 1.00 0.00 C ATOM 1479 O SER A 101 0.420 -16.845 5.039 1.00 0.00 O ATOM 1480 CB SER A 101 -1.038 -14.818 6.255 1.00 0.00 C ATOM 1481 OG SER A 101 -1.085 -14.159 4.992 1.00 0.00 O ATOM 0 H SER A 101 0.926 -13.153 6.150 1.00 0.00 H new ATOM 0 HA SER A 101 0.361 -15.592 7.672 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.595 -15.753 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.530 -14.200 7.005 1.00 0.00 H new ATOM 0 HG SER A 101 -2.019 -13.993 4.744 1.00 0.00 H new ATOM 1487 N GLY A 102 2.398 -15.912 5.617 1.00 0.00 N ATOM 1488 CA GLY A 102 3.178 -16.737 4.710 1.00 0.00 C ATOM 1489 C GLY A 102 2.693 -16.577 3.268 1.00 0.00 C ATOM 1490 O GLY A 102 2.999 -17.404 2.411 1.00 0.00 O ATOM 0 H GLY A 102 2.944 -15.246 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.230 -16.461 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.103 -17.783 5.009 1.00 0.00 H new ATOM 1494 N ALA A 103 1.944 -15.507 3.045 1.00 0.00 N ATOM 1495 CA ALA A 103 1.413 -15.227 1.722 1.00 0.00 C ATOM 1496 C ALA A 103 2.182 -14.057 1.106 1.00 0.00 C ATOM 1497 O ALA A 103 2.733 -13.224 1.824 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.088 -14.951 1.821 1.00 0.00 C ATOM 0 H ALA A 103 1.692 -14.823 3.759 1.00 0.00 H new ATOM 0 HA ALA A 103 1.543 -16.088 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.486 -14.741 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.592 -15.824 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.258 -14.091 2.469 1.00 0.00 H new ATOM 1504 N PHE A 104 2.194 -14.030 -0.219 1.00 0.00 N ATOM 1505 CA PHE A 104 2.886 -12.976 -0.940 1.00 0.00 C ATOM 1506 C PHE A 104 1.895 -12.075 -1.680 1.00 0.00 C ATOM 1507 O PHE A 104 0.832 -12.530 -2.099 1.00 0.00 O ATOM 1508 CB PHE A 104 3.799 -13.657 -1.962 1.00 0.00 C ATOM 1509 CG PHE A 104 5.224 -13.897 -1.460 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.499 -14.980 -0.684 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.217 -13.027 -1.790 1.00 0.00 C ATOM 1512 CE1 PHE A 104 6.822 -15.202 -0.219 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.540 -13.250 -1.325 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.814 -14.333 -0.549 1.00 0.00 C ATOM 0 H PHE A 104 1.735 -14.722 -0.812 1.00 0.00 H new ATOM 0 HA PHE A 104 3.448 -12.356 -0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.359 -14.613 -2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.840 -13.044 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.711 -15.671 -0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.999 -12.167 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.040 -16.062 0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.328 -12.560 -1.587 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.820 -14.503 -0.195 1.00 0.00 H new ATOM 1524 N VAL A 105 2.278 -10.814 -1.817 1.00 0.00 N ATOM 1525 CA VAL A 105 1.436 -9.846 -2.499 1.00 0.00 C ATOM 1526 C VAL A 105 2.247 -9.157 -3.599 1.00 0.00 C ATOM 1527 O VAL A 105 3.464 -9.025 -3.487 1.00 0.00 O ATOM 1528 CB VAL A 105 0.844 -8.864 -1.487 1.00 0.00 C ATOM 1529 CG1 VAL A 105 0.036 -7.772 -2.192 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.010 -9.594 -0.449 1.00 0.00 C ATOM 0 H VAL A 105 3.160 -10.440 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 105 0.594 -10.343 -2.980 1.00 0.00 H new ATOM 0 HB VAL A 105 1.670 -8.384 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.374 -7.087 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.685 -7.222 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.779 -8.228 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.419 -8.872 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.827 -10.114 -0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.606 -10.317 0.086 1.00 0.00 H new ATOM 1540 N TYR A 106 1.538 -8.735 -4.636 1.00 0.00 N ATOM 1541 CA TYR A 106 2.176 -8.063 -5.754 1.00 0.00 C ATOM 1542 C TYR A 106 1.360 -6.849 -6.203 1.00 0.00 C ATOM 1543 O TYR A 106 0.137 -6.836 -6.072 1.00 0.00 O ATOM 1544 CB TYR A 106 2.217 -9.084 -6.893 1.00 0.00 C ATOM 1545 CG TYR A 106 2.780 -10.447 -6.487 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.137 -10.686 -6.571 1.00 0.00 C ATOM 1547 CD2 TYR A 106 1.931 -11.437 -6.036 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.667 -11.970 -6.188 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.461 -12.721 -5.653 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.803 -12.923 -5.748 1.00 0.00 C ATOM 1551 OH TYR A 106 4.303 -14.135 -5.387 1.00 0.00 O ATOM 0 H TYR A 106 0.528 -8.846 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 106 3.168 -7.710 -5.473 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.208 -9.220 -7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.820 -8.681 -7.707 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.801 -9.911 -6.924 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.869 -11.249 -5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.726 -12.171 -6.249 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.808 -13.505 -5.299 1.00 0.00 H new ATOM 0 HH TYR A 106 3.571 -14.716 -5.092 1.00 0.00 H new ATOM 1561 N LEU A 107 2.069 -5.858 -6.722 1.00 0.00 N ATOM 1562 CA LEU A 107 1.426 -4.642 -7.191 1.00 0.00 C ATOM 1563 C LEU A 107 1.240 -4.720 -8.707 1.00 0.00 C ATOM 1564 O LEU A 107 2.136 -4.352 -9.466 1.00 0.00 O ATOM 1565 CB LEU A 107 2.207 -3.410 -6.729 1.00 0.00 C ATOM 1566 CG LEU A 107 2.620 -3.391 -5.256 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.809 -4.321 -5.008 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.901 -1.963 -4.784 1.00 0.00 C ATOM 0 H LEU A 107 3.083 -5.872 -6.828 1.00 0.00 H new ATOM 0 HA LEU A 107 0.433 -4.543 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.106 -3.325 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.602 -2.525 -6.928 1.00 0.00 H new ATOM 0 HG LEU A 107 1.787 -3.768 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.082 -4.289 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.537 -5.340 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.656 -3.997 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.192 -1.978 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.708 -1.535 -5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.003 -1.357 -4.903 1.00 0.00 H new ATOM 1580 N ARG A 108 0.072 -5.203 -9.105 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.243 -5.334 -10.517 1.00 0.00 C ATOM 1582 C ARG A 108 -0.557 -3.963 -11.120 1.00 0.00 C ATOM 1583 O ARG A 108 0.104 -3.530 -12.064 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.439 -6.264 -10.731 1.00 0.00 C ATOM 1585 CG ARG A 108 -1.017 -7.731 -10.633 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.940 -8.624 -11.464 1.00 0.00 C ATOM 1587 NE ARG A 108 -1.152 -9.372 -12.468 1.00 0.00 N ATOM 1588 CZ ARG A 108 -0.813 -8.888 -13.670 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -1.192 -7.653 -14.026 1.00 0.00 N ATOM 1590 NH2 ARG A 108 -0.096 -9.638 -14.517 1.00 0.00 N ATOM 0 H ARG A 108 -0.668 -5.509 -8.473 1.00 0.00 H new ATOM 0 HA ARG A 108 0.628 -5.762 -11.013 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.207 -6.052 -9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.882 -6.074 -11.709 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.010 -7.841 -10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.038 -8.050 -9.591 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.469 -9.320 -10.813 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.696 -8.016 -11.962 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.848 -10.316 -12.230 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.739 -7.082 -13.382 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -0.934 -7.284 -14.941 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.192 -10.578 -14.247 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.162 -9.269 -15.432 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.565 -3.319 -10.551 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.974 -2.006 -11.021 1.00 0.00 C ATOM 1606 C GLN A 109 -2.300 -1.095 -9.836 1.00 0.00 C ATOM 1607 O GLN A 109 -2.871 -1.543 -8.843 1.00 0.00 O ATOM 1608 CB GLN A 109 -3.166 -2.112 -11.975 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.433 -2.527 -11.224 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.956 -3.873 -11.732 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.619 -3.965 -12.752 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.621 -4.907 -10.966 1.00 0.00 N ATOM 0 H GLN A 109 -2.111 -3.681 -9.769 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.145 -1.566 -11.575 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -3.328 -1.153 -12.468 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.947 -2.839 -12.757 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.222 -2.594 -10.157 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.201 -1.764 -11.350 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.064 -4.759 -10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.921 -5.848 -11.220 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.912 0.200 -9.982 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.156 1.177 -8.935 1.00 0.00 C ATOM 1623 C PRO A 110 -3.630 1.587 -8.901 1.00 0.00 C ATOM 1624 O PRO A 110 -4.389 1.264 -9.813 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.225 2.336 -9.254 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.836 2.169 -10.713 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.232 0.766 -11.144 1.00 0.00 C ATOM 0 HA PRO A 110 -1.955 0.785 -7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.721 3.292 -9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.345 2.319 -8.611 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.339 2.914 -11.330 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.236 2.320 -10.842 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.888 0.789 -12.014 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.359 0.175 -11.419 1.00 0.00 H new ATOM 1635 N TYR A 111 -3.991 2.291 -7.838 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.360 2.747 -7.672 1.00 0.00 C ATOM 1637 C TYR A 111 -5.514 4.198 -8.134 1.00 0.00 C ATOM 1638 O TYR A 111 -4.826 5.088 -7.636 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.653 2.668 -6.173 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.112 2.949 -5.808 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.124 2.224 -6.404 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.416 3.926 -4.882 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.497 2.488 -6.061 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.790 4.190 -4.539 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.762 3.458 -5.145 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.059 3.707 -4.821 1.00 0.00 O ATOM 0 H TYR A 111 -3.359 2.557 -7.083 1.00 0.00 H new ATOM 0 HA TYR A 111 -6.042 2.136 -8.263 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.384 1.675 -5.813 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.015 3.381 -5.651 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -7.886 1.459 -7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.624 4.492 -4.415 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.298 1.929 -6.521 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -9.042 4.952 -3.817 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.549 2.861 -4.759 1.00 0.00 H new