USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 789 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 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 THR OG1 : rot -41:sc= 0.022 USER MOD Set 2.1: A 79 HIS : no HD1:sc= 0.635 K(o=1.8,f=-2.9) USER MOD Set 2.2: A 98 SER OG : rot 83:sc= 0.364 USER MOD Set 2.3: A 100 LYS NZ :NH3+ 159:sc= 0.788 (180deg=0) USER MOD Set 3.1: A 66 TYR OH : rot 180:sc=-0.00494 USER MOD Set 3.2: A 70 LYS NZ :NH3+ 172:sc= 1.29 (180deg=1.15) USER MOD Set 4.1: A 65 GLN : amide:sc= 0.848 K(o=0.85,f=-0.071) USER MOD Set 4.2: A 68 MET CE :methyl -167:sc= 0 (180deg=-0.252) USER MOD Single : A 0 MET CE :methyl 174:sc= 0 (180deg=-0.0274) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -8 PHE N :NH3+ -156:sc= 0 (180deg=-0.0897) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 70:sc= 1 USER MOD Single : A 50 GLN : amide:sc= 0.567 K(o=0.57,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 157:sc= 0.429 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0958 USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000528) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0.289 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0596 X(o=-0.06,f=-0.06) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.206 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.027) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 177:sc= 1.16 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -173:sc= -0.304 (180deg=-0.344) USER MOD Single : A 109 MET CE :methyl 155:sc= -0.338 (180deg=-2.22) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -151:sc= -0.285 (180deg=-1.46) USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A -8 -0.950 -3.482 12.718 1.00 0.00 N ATOM 59 CA PHE A -8 -1.037 -3.294 11.266 1.00 0.00 C ATOM 60 C PHE A -8 -0.130 -4.194 10.415 1.00 0.00 C ATOM 61 O PHE A -8 -0.589 -4.854 9.480 1.00 0.00 O ATOM 62 CB PHE A -8 -0.889 -1.805 10.894 1.00 0.00 C ATOM 63 CG PHE A -8 -0.592 -1.575 9.422 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.640 -1.613 8.484 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.738 -1.430 8.978 1.00 0.00 C ATOM 66 CE1 PHE A -8 -1.357 -1.525 7.110 1.00 0.00 C ATOM 67 CE2 PHE A -8 1.019 -1.342 7.603 1.00 0.00 C ATOM 68 CZ PHE A -8 -0.028 -1.395 6.670 1.00 0.00 C ATOM 0 H1 PHE A -8 -1.833 -3.160 13.163 1.00 0.00 H new ATOM 0 H2 PHE A -8 -0.803 -4.490 12.929 1.00 0.00 H new ATOM 0 H3 PHE A -8 -0.152 -2.929 13.092 1.00 0.00 H new ATOM 0 HA PHE A -8 -2.040 -3.632 11.005 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.807 -1.280 11.158 1.00 0.00 H new ATOM 0 HB3 PHE A -8 -0.089 -1.367 11.491 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.662 -1.710 8.820 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.544 -1.386 9.696 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -2.162 -1.557 6.391 1.00 0.00 H new ATOM 0 HE2 PHE A -8 2.039 -1.234 7.265 1.00 0.00 H new ATOM 0 HZ PHE A -8 0.187 -1.336 5.613 1.00 0.00 H new ATOM 78 N TRP A -7 1.159 -4.250 10.770 1.00 0.00 N ATOM 79 CA TRP A -7 2.156 -4.978 9.985 1.00 0.00 C ATOM 80 C TRP A -7 1.965 -6.498 10.007 1.00 0.00 C ATOM 81 O TRP A -7 2.201 -7.152 8.998 1.00 0.00 O ATOM 82 CB TRP A -7 3.567 -4.559 10.404 1.00 0.00 C ATOM 83 CG TRP A -7 4.674 -5.282 9.697 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.312 -6.383 10.158 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.079 -5.156 8.296 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.169 -6.869 9.189 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.043 -6.169 8.008 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.715 -4.299 7.232 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.630 -6.315 6.742 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.294 -4.441 5.955 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.247 -5.445 5.708 1.00 0.00 C ATOM 0 H TRP A -7 1.535 -3.796 11.602 1.00 0.00 H new ATOM 0 HA TRP A -7 2.009 -4.699 8.942 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.680 -3.489 10.228 1.00 0.00 H new ATOM 0 HB3 TRP A -7 3.675 -4.719 11.477 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.172 -6.817 11.137 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.813 -7.647 9.330 1.00 0.00 H new ATOM 0 HE3 TRP A -7 3.982 -3.524 7.400 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.366 -7.085 6.565 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.003 -3.772 5.158 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.683 -5.547 4.725 1.00 0.00 H new ATOM 102 N GLU A -6 1.460 -7.071 11.104 1.00 0.00 N ATOM 103 CA GLU A -6 1.139 -8.506 11.170 1.00 0.00 C ATOM 104 C GLU A -6 0.021 -8.886 10.181 1.00 0.00 C ATOM 105 O GLU A -6 0.090 -9.938 9.542 1.00 0.00 O ATOM 106 CB GLU A -6 0.746 -8.909 12.602 1.00 0.00 C ATOM 107 CG GLU A -6 1.874 -8.658 13.617 1.00 0.00 C ATOM 108 CD GLU A -6 1.589 -9.233 15.022 1.00 0.00 C ATOM 109 OE1 GLU A -6 0.458 -9.701 15.307 1.00 0.00 O ATOM 110 OE2 GLU A -6 2.514 -9.214 15.871 1.00 0.00 O ATOM 0 H GLU A -6 1.263 -6.562 11.965 1.00 0.00 H new ATOM 0 HA GLU A -6 2.036 -9.054 10.883 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.140 -8.350 12.903 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.477 -9.965 12.617 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.797 -9.096 13.236 1.00 0.00 H new ATOM 0 HG3 GLU A -6 2.042 -7.584 13.701 1.00 0.00 H new ATOM 117 N TYR A -5 -0.971 -8.005 10.000 1.00 0.00 N ATOM 118 CA TYR A -5 -1.968 -8.120 8.932 1.00 0.00 C ATOM 119 C TYR A -5 -1.436 -7.903 7.510 1.00 0.00 C ATOM 120 O TYR A -5 -1.716 -8.681 6.599 1.00 0.00 O ATOM 121 CB TYR A -5 -3.199 -7.250 9.224 1.00 0.00 C ATOM 122 CG TYR A -5 -4.127 -7.812 10.278 1.00 0.00 C ATOM 123 CD1 TYR A -5 -5.065 -8.800 9.925 1.00 0.00 C ATOM 124 CD2 TYR A -5 -4.055 -7.350 11.607 1.00 0.00 C ATOM 125 CE1 TYR A -5 -5.933 -9.325 10.898 1.00 0.00 C ATOM 126 CE2 TYR A -5 -4.927 -7.871 12.583 1.00 0.00 C ATOM 127 CZ TYR A -5 -5.874 -8.857 12.229 1.00 0.00 C ATOM 128 OH TYR A -5 -6.737 -9.354 13.158 1.00 0.00 O ATOM 0 H TYR A -5 -1.104 -7.187 10.595 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.268 -9.168 8.943 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.864 -6.263 9.542 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.760 -7.114 8.299 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -5.118 -9.155 8.906 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -3.331 -6.596 11.878 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -6.647 -10.089 10.627 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -4.871 -7.517 13.602 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.565 -8.929 14.024 1.00 0.00 H new ATOM 138 N TRP A -4 -0.629 -6.857 7.329 1.00 0.00 N ATOM 139 CA TRP A -4 -0.068 -6.458 6.035 1.00 0.00 C ATOM 140 C TRP A -4 0.937 -7.491 5.501 1.00 0.00 C ATOM 141 O TRP A -4 0.945 -7.795 4.309 1.00 0.00 O ATOM 142 CB TRP A -4 0.592 -5.090 6.221 1.00 0.00 C ATOM 143 CG TRP A -4 0.932 -4.408 4.942 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.086 -4.547 4.255 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.010 -3.736 4.034 1.00 0.00 C ATOM 146 NE1 TRP A -4 1.978 -3.890 3.047 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.710 -3.402 2.839 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.355 -3.388 4.101 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.094 -2.742 1.768 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.987 -2.738 3.027 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.268 -2.409 1.866 1.00 0.00 C ATOM 0 H TRP A -4 -0.340 -6.249 8.095 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.863 -6.401 5.291 1.00 0.00 H new ATOM 0 HB2 TRP A -4 -0.076 -4.450 6.797 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.501 -5.213 6.809 1.00 0.00 H new ATOM 0 HD1 TRP A -4 2.956 -5.087 4.597 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.748 -3.779 2.387 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.922 -3.624 4.989 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.657 -2.493 0.881 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -3.036 -2.489 3.095 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.761 -1.901 1.050 1.00 0.00 H new ATOM 162 N LEU A -3 1.728 -8.113 6.378 1.00 0.00 N ATOM 163 CA LEU A -3 2.614 -9.228 6.048 1.00 0.00 C ATOM 164 C LEU A -3 1.843 -10.446 5.505 1.00 0.00 C ATOM 165 O LEU A -3 2.335 -11.157 4.628 1.00 0.00 O ATOM 166 CB LEU A -3 3.403 -9.572 7.326 1.00 0.00 C ATOM 167 CG LEU A -3 4.495 -10.638 7.151 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.652 -10.081 6.323 1.00 0.00 C ATOM 169 CD2 LEU A -3 5.039 -11.044 8.522 1.00 0.00 C ATOM 0 H LEU A -3 1.770 -7.847 7.362 1.00 0.00 H new ATOM 0 HA LEU A -3 3.293 -8.941 5.245 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.865 -8.660 7.706 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.701 -9.915 8.086 1.00 0.00 H new ATOM 0 HG LEU A -3 4.059 -11.498 6.643 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.418 -10.847 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.286 -9.783 5.341 1.00 0.00 H new ATOM 0 HD13 LEU A -3 6.078 -9.215 6.830 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.814 -11.800 8.397 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.462 -10.171 9.019 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.230 -11.451 9.129 1.00 0.00 H new ATOM 181 N ARG A -2 0.605 -10.665 5.967 1.00 0.00 N ATOM 182 CA ARG A -2 -0.239 -11.797 5.563 1.00 0.00 C ATOM 183 C ARG A -2 -0.741 -11.667 4.119 1.00 0.00 C ATOM 184 O ARG A -2 -1.078 -12.677 3.504 1.00 0.00 O ATOM 185 CB ARG A -2 -1.393 -11.934 6.573 1.00 0.00 C ATOM 186 CG ARG A -2 -1.876 -13.380 6.741 1.00 0.00 C ATOM 187 CD ARG A -2 -0.857 -14.259 7.481 1.00 0.00 C ATOM 188 NE ARG A -2 -1.346 -15.643 7.631 1.00 0.00 N ATOM 189 CZ ARG A -2 -0.645 -16.759 7.503 1.00 0.00 C ATOM 190 NH1 ARG A -2 0.627 -16.780 7.223 1.00 0.00 N ATOM 191 NH2 ARG A -2 -1.230 -17.911 7.666 1.00 0.00 N ATOM 0 H ARG A -2 0.154 -10.050 6.644 1.00 0.00 H new ATOM 0 HA ARG A -2 0.358 -12.709 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -1.069 -11.551 7.540 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.228 -11.314 6.248 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -2.819 -13.383 7.288 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.076 -13.809 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A -2 0.087 -14.262 6.935 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -0.655 -13.835 8.464 1.00 0.00 H new ATOM 0 HE ARG A -2 -2.334 -15.752 7.859 1.00 0.00 H new ATOM 0 HH11 ARG A -2 1.134 -15.905 7.090 1.00 0.00 H new ATOM 0 HH12 ARG A -2 1.116 -17.671 7.137 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -2.224 -17.951 7.891 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -0.694 -18.773 7.568 1.00 0.00 H new ATOM 205 N LEU A -1 -0.721 -10.453 3.557 1.00 0.00 N ATOM 206 CA LEU A -1 -0.957 -10.201 2.133 1.00 0.00 C ATOM 207 C LEU A -1 0.136 -10.837 1.263 1.00 0.00 C ATOM 208 O LEU A -1 -0.171 -11.582 0.332 1.00 0.00 O ATOM 209 CB LEU A -1 -0.975 -8.689 1.853 1.00 0.00 C ATOM 210 CG LEU A -1 -2.017 -7.841 2.593 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.838 -6.401 2.127 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.444 -8.270 2.270 1.00 0.00 C ATOM 0 H LEU A -1 -0.537 -9.603 4.090 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.921 -10.645 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A -1 0.012 -8.292 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -1.126 -8.548 0.783 1.00 0.00 H new ATOM 0 HG LEU A -1 -1.868 -7.960 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.563 -5.762 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -0.829 -6.064 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.993 -6.345 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.146 -7.641 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.622 -8.166 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.586 -9.311 2.562 1.00 0.00 H new ATOM 224 N MET A 0 1.410 -10.539 1.556 1.00 0.00 N ATOM 225 CA MET A 0 2.547 -11.013 0.755 1.00 0.00 C ATOM 226 C MET A 0 2.881 -12.494 1.014 1.00 0.00 C ATOM 227 O MET A 0 3.458 -13.153 0.152 1.00 0.00 O ATOM 228 CB MET A 0 3.775 -10.109 0.953 1.00 0.00 C ATOM 229 CG MET A 0 4.401 -10.179 2.352 1.00 0.00 C ATOM 230 SD MET A 0 5.983 -9.309 2.512 1.00 0.00 S ATOM 231 CE MET A 0 5.383 -7.604 2.606 1.00 0.00 C ATOM 0 H MET A 0 1.681 -9.964 2.354 1.00 0.00 H new ATOM 0 HA MET A 0 2.247 -10.950 -0.291 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.532 -10.380 0.217 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.487 -9.078 0.749 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.697 -9.762 3.072 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.548 -11.226 2.619 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.218 -6.935 2.814 1.00 0.00 H new ATOM 0 HE2 MET A 0 4.924 -7.327 1.657 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.645 -7.522 3.404 1.00 0.00 H new ATOM 241 N GLU A 1 2.473 -13.046 2.163 1.00 0.00 N ATOM 242 CA GLU A 1 2.521 -14.482 2.494 1.00 0.00 C ATOM 243 C GLU A 1 1.504 -15.350 1.706 1.00 0.00 C ATOM 244 O GLU A 1 0.896 -16.275 2.243 1.00 0.00 O ATOM 245 CB GLU A 1 2.419 -14.682 4.021 1.00 0.00 C ATOM 246 CG GLU A 1 3.698 -14.264 4.763 1.00 0.00 C ATOM 247 CD GLU A 1 3.619 -14.514 6.285 1.00 0.00 C ATOM 248 OE1 GLU A 1 2.517 -14.782 6.826 1.00 0.00 O ATOM 249 OE2 GLU A 1 4.681 -14.463 6.952 1.00 0.00 O ATOM 0 H GLU A 1 2.084 -12.485 2.921 1.00 0.00 H new ATOM 0 HA GLU A 1 3.492 -14.849 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.577 -14.104 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.208 -15.730 4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.546 -14.813 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.887 -13.206 4.583 1.00 0.00 H new ATOM 678 N LEU A 33 8.552 -8.803 -12.407 1.00 0.00 N ATOM 679 CA LEU A 33 8.388 -7.353 -12.222 1.00 0.00 C ATOM 680 C LEU A 33 7.001 -6.885 -12.707 1.00 0.00 C ATOM 681 O LEU A 33 6.456 -7.423 -13.674 1.00 0.00 O ATOM 682 CB LEU A 33 9.516 -6.588 -12.942 1.00 0.00 C ATOM 683 CG LEU A 33 10.942 -6.924 -12.460 1.00 0.00 C ATOM 684 CD1 LEU A 33 11.962 -6.221 -13.356 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.186 -6.483 -11.016 1.00 0.00 C ATOM 0 HA LEU A 33 8.454 -7.135 -11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.451 -6.796 -14.010 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.348 -5.519 -12.815 1.00 0.00 H new ATOM 0 HG LEU A 33 11.052 -8.007 -12.511 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.970 -6.458 -13.016 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.837 -6.560 -14.385 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.807 -5.143 -13.308 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.204 -6.742 -10.724 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.049 -5.405 -10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.480 -6.988 -10.357 1.00 0.00 H new ATOM 697 N VAL A 34 6.437 -5.869 -12.047 1.00 0.00 N ATOM 698 CA VAL A 34 5.062 -5.362 -12.277 1.00 0.00 C ATOM 699 C VAL A 34 4.953 -4.102 -13.134 1.00 0.00 C ATOM 700 O VAL A 34 3.893 -3.828 -13.693 1.00 0.00 O ATOM 701 CB VAL A 34 4.286 -5.164 -10.956 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.533 -6.291 -9.957 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.613 -3.845 -10.238 1.00 0.00 C ATOM 0 H VAL A 34 6.930 -5.356 -11.316 1.00 0.00 H new ATOM 0 HA VAL A 34 4.602 -6.158 -12.862 1.00 0.00 H new ATOM 0 HB VAL A 34 3.243 -5.154 -11.273 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.964 -6.102 -9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.217 -7.239 -10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.595 -6.338 -9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.030 -3.777 -9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.676 -3.816 -9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.365 -3.006 -10.888 1.00 0.00 H new ATOM 713 N ARG A 35 6.045 -3.331 -13.198 1.00 0.00 N ATOM 714 CA ARG A 35 6.133 -1.966 -13.750 1.00 0.00 C ATOM 715 C ARG A 35 5.093 -0.999 -13.131 1.00 0.00 C ATOM 716 O ARG A 35 4.073 -0.707 -13.763 1.00 0.00 O ATOM 717 CB ARG A 35 6.106 -1.987 -15.295 1.00 0.00 C ATOM 718 CG ARG A 35 7.285 -2.755 -15.911 1.00 0.00 C ATOM 719 CD ARG A 35 7.230 -2.690 -17.442 1.00 0.00 C ATOM 720 NE ARG A 35 8.374 -3.394 -18.054 1.00 0.00 N ATOM 721 CZ ARG A 35 8.803 -3.273 -19.300 1.00 0.00 C ATOM 722 NH1 ARG A 35 8.209 -2.505 -20.169 1.00 0.00 N ATOM 723 NH2 ARG A 35 9.852 -3.933 -19.701 1.00 0.00 N ATOM 0 H ARG A 35 6.945 -3.658 -12.847 1.00 0.00 H new ATOM 0 HA ARG A 35 7.101 -1.559 -13.458 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.172 -2.439 -15.629 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.115 -0.962 -15.666 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.226 -2.333 -15.557 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.259 -3.795 -15.585 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.298 -3.134 -17.793 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.228 -1.648 -17.763 1.00 0.00 H new ATOM 0 HE ARG A 35 8.887 -4.041 -17.455 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.383 -1.971 -19.897 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.570 -2.438 -21.121 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.347 -4.547 -19.054 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.179 -3.836 -20.662 1.00 0.00 H new ATOM 737 N PRO A 36 5.311 -0.516 -11.888 1.00 0.00 N ATOM 738 CA PRO A 36 4.344 0.319 -11.165 1.00 0.00 C ATOM 739 C PRO A 36 4.045 1.666 -11.849 1.00 0.00 C ATOM 740 O PRO A 36 4.891 2.209 -12.569 1.00 0.00 O ATOM 741 CB PRO A 36 4.939 0.543 -9.768 1.00 0.00 C ATOM 742 CG PRO A 36 6.017 -0.525 -9.612 1.00 0.00 C ATOM 743 CD PRO A 36 6.475 -0.770 -11.046 1.00 0.00 C ATOM 0 HA PRO A 36 3.381 -0.191 -11.135 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.361 1.544 -9.676 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.176 0.447 -8.996 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.836 -0.181 -8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.622 -1.432 -9.155 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.300 -0.109 -11.311 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.833 -1.792 -11.172 1.00 0.00 H new ATOM 751 N LYS A 37 2.869 2.249 -11.576 1.00 0.00 N ATOM 752 CA LYS A 37 2.525 3.633 -11.967 1.00 0.00 C ATOM 753 C LYS A 37 3.492 4.655 -11.340 1.00 0.00 C ATOM 754 O LYS A 37 3.943 4.434 -10.212 1.00 0.00 O ATOM 755 CB LYS A 37 1.061 3.971 -11.603 1.00 0.00 C ATOM 756 CG LYS A 37 0.031 3.209 -12.456 1.00 0.00 C ATOM 757 CD LYS A 37 -1.352 3.882 -12.511 1.00 0.00 C ATOM 758 CE LYS A 37 -2.022 4.118 -11.144 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.343 4.784 -11.304 1.00 0.00 N ATOM 0 H LYS A 37 2.120 1.773 -11.073 1.00 0.00 H new ATOM 0 HA LYS A 37 2.628 3.697 -13.050 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.893 3.741 -10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.902 5.042 -11.724 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.416 3.109 -13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.082 2.201 -12.057 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.251 4.841 -13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.014 3.267 -13.120 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.151 3.166 -10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.374 4.733 -10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.773 4.931 -10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.214 5.703 -11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.967 4.184 -11.881 1.00 0.00 H new ATOM 773 N PRO A 38 3.769 5.807 -11.988 1.00 0.00 N ATOM 774 CA PRO A 38 4.653 6.839 -11.431 1.00 0.00 C ATOM 775 C PRO A 38 4.135 7.414 -10.102 1.00 0.00 C ATOM 776 O PRO A 38 4.927 7.713 -9.207 1.00 0.00 O ATOM 777 CB PRO A 38 4.766 7.912 -12.522 1.00 0.00 C ATOM 778 CG PRO A 38 3.495 7.733 -13.352 1.00 0.00 C ATOM 779 CD PRO A 38 3.261 6.225 -13.290 1.00 0.00 C ATOM 0 HA PRO A 38 5.627 6.422 -11.176 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.825 8.912 -12.093 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.661 7.772 -13.128 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.657 8.290 -12.934 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.629 8.080 -14.377 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.202 5.987 -13.393 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.783 5.713 -14.098 1.00 0.00 H new ATOM 787 N LEU A 39 2.807 7.492 -9.929 1.00 0.00 N ATOM 788 CA LEU A 39 2.153 7.898 -8.679 1.00 0.00 C ATOM 789 C LEU A 39 2.480 6.948 -7.510 1.00 0.00 C ATOM 790 O LEU A 39 2.678 7.401 -6.382 1.00 0.00 O ATOM 791 CB LEU A 39 0.635 7.977 -8.944 1.00 0.00 C ATOM 792 CG LEU A 39 -0.213 8.482 -7.759 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.061 9.956 -7.461 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.699 8.337 -8.086 1.00 0.00 C ATOM 0 H LEU A 39 2.144 7.269 -10.672 1.00 0.00 H new ATOM 0 HA LEU A 39 2.531 8.873 -8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.465 8.633 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.280 6.986 -9.228 1.00 0.00 H new ATOM 0 HG LEU A 39 0.056 7.883 -6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.554 10.278 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.114 10.087 -7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.181 10.556 -8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.293 8.695 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.935 8.924 -8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.930 7.288 -8.273 1.00 0.00 H new ATOM 806 N LEU A 40 2.570 5.640 -7.781 1.00 0.00 N ATOM 807 CA LEU A 40 2.962 4.632 -6.797 1.00 0.00 C ATOM 808 C LEU A 40 4.470 4.650 -6.545 1.00 0.00 C ATOM 809 O LEU A 40 4.896 4.675 -5.397 1.00 0.00 O ATOM 810 CB LEU A 40 2.479 3.245 -7.254 1.00 0.00 C ATOM 811 CG LEU A 40 2.842 2.112 -6.272 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.270 2.354 -4.873 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.297 0.777 -6.774 1.00 0.00 C ATOM 0 H LEU A 40 2.369 5.251 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 40 2.485 4.869 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.397 3.270 -7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.911 3.022 -8.229 1.00 0.00 H new ATOM 0 HG LEU A 40 3.930 2.091 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.552 1.530 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.667 3.287 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.183 2.417 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.562 -0.012 -6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.212 0.837 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.728 0.552 -7.750 1.00 0.00 H new ATOM 825 N LEU A 41 5.280 4.696 -7.604 1.00 0.00 N ATOM 826 CA LEU A 41 6.742 4.777 -7.506 1.00 0.00 C ATOM 827 C LEU A 41 7.200 5.974 -6.651 1.00 0.00 C ATOM 828 O LEU A 41 8.102 5.825 -5.827 1.00 0.00 O ATOM 829 CB LEU A 41 7.311 4.797 -8.935 1.00 0.00 C ATOM 830 CG LEU A 41 8.823 5.061 -9.044 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.688 4.065 -8.268 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.239 4.985 -10.510 1.00 0.00 C ATOM 0 H LEU A 41 4.938 4.678 -8.565 1.00 0.00 H new ATOM 0 HA LEU A 41 7.133 3.904 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.092 3.839 -9.408 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.785 5.562 -9.506 1.00 0.00 H new ATOM 0 HG LEU A 41 8.987 6.048 -8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.740 4.320 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.431 4.107 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.510 3.058 -8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.310 5.171 -10.595 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.011 3.994 -10.902 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.694 5.736 -11.082 1.00 0.00 H new ATOM 844 N LYS A 42 6.524 7.124 -6.757 1.00 0.00 N ATOM 845 CA LYS A 42 6.709 8.283 -5.863 1.00 0.00 C ATOM 846 C LYS A 42 6.509 7.941 -4.377 1.00 0.00 C ATOM 847 O LYS A 42 7.307 8.365 -3.542 1.00 0.00 O ATOM 848 CB LYS A 42 5.768 9.411 -6.321 1.00 0.00 C ATOM 849 CG LYS A 42 5.911 10.688 -5.476 1.00 0.00 C ATOM 850 CD LYS A 42 5.106 11.867 -6.043 1.00 0.00 C ATOM 851 CE LYS A 42 3.590 11.638 -5.952 1.00 0.00 C ATOM 852 NZ LYS A 42 2.835 12.824 -6.441 1.00 0.00 N ATOM 0 H LYS A 42 5.820 7.282 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 42 7.746 8.612 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.973 9.647 -7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.737 9.061 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.580 10.484 -4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.964 10.966 -5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.367 12.776 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.385 12.026 -7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.316 10.762 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.313 11.428 -4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.814 12.640 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.080 13.654 -5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.083 13.008 -7.434 1.00 0.00 H new ATOM 866 N LEU A 43 5.493 7.142 -4.041 1.00 0.00 N ATOM 867 CA LEU A 43 5.256 6.642 -2.679 1.00 0.00 C ATOM 868 C LEU A 43 6.383 5.702 -2.214 1.00 0.00 C ATOM 869 O LEU A 43 6.895 5.872 -1.106 1.00 0.00 O ATOM 870 CB LEU A 43 3.850 6.006 -2.611 1.00 0.00 C ATOM 871 CG LEU A 43 3.419 5.513 -1.217 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.894 5.423 -1.145 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.943 4.112 -0.884 1.00 0.00 C ATOM 0 H LEU A 43 4.800 6.818 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 43 5.277 7.472 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.121 6.737 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.816 5.164 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 43 3.833 6.233 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.596 5.074 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.462 6.407 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.535 4.724 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.604 3.824 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.565 3.399 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.033 4.116 -0.909 1.00 0.00 H new ATOM 885 N LEU A 44 6.834 4.764 -3.060 1.00 0.00 N ATOM 886 CA LEU A 44 7.962 3.872 -2.732 1.00 0.00 C ATOM 887 C LEU A 44 9.258 4.674 -2.497 1.00 0.00 C ATOM 888 O LEU A 44 9.999 4.434 -1.543 1.00 0.00 O ATOM 889 CB LEU A 44 8.187 2.790 -3.817 1.00 0.00 C ATOM 890 CG LEU A 44 6.948 2.124 -4.445 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.375 1.071 -5.468 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.011 1.459 -3.438 1.00 0.00 C ATOM 0 H LEU A 44 6.433 4.601 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 44 7.697 3.360 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.767 3.241 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.803 2.004 -3.381 1.00 0.00 H new ATOM 0 HG LEU A 44 6.394 2.938 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.490 0.608 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.962 1.545 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.978 0.308 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.166 1.016 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.550 0.681 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.647 2.205 -2.732 1.00 0.00 H new ATOM 904 N LYS A 45 9.525 5.676 -3.341 1.00 0.00 N ATOM 905 CA LYS A 45 10.704 6.553 -3.239 1.00 0.00 C ATOM 906 C LYS A 45 10.637 7.553 -2.081 1.00 0.00 C ATOM 907 O LYS A 45 11.684 7.949 -1.570 1.00 0.00 O ATOM 908 CB LYS A 45 10.994 7.186 -4.611 1.00 0.00 C ATOM 909 CG LYS A 45 11.537 6.079 -5.532 1.00 0.00 C ATOM 910 CD LYS A 45 11.757 6.478 -6.991 1.00 0.00 C ATOM 911 CE LYS A 45 12.761 7.598 -7.242 1.00 0.00 C ATOM 912 NZ LYS A 45 14.128 7.261 -6.758 1.00 0.00 N ATOM 0 H LYS A 45 8.920 5.907 -4.129 1.00 0.00 H new ATOM 0 HA LYS A 45 11.563 5.938 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.087 7.622 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.720 7.993 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.484 5.725 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.845 5.238 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.084 5.596 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.797 6.778 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.800 7.813 -8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.418 8.506 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.771 8.055 -6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.099 7.082 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.470 6.410 -7.249 1.00 0.00 H new ATOM 926 N SER A 46 9.440 7.860 -1.575 1.00 0.00 N ATOM 927 CA SER A 46 9.251 8.613 -0.320 1.00 0.00 C ATOM 928 C SER A 46 9.743 7.840 0.918 1.00 0.00 C ATOM 929 O SER A 46 10.099 8.457 1.923 1.00 0.00 O ATOM 930 CB SER A 46 7.782 9.009 -0.132 1.00 0.00 C ATOM 931 OG SER A 46 7.364 9.886 -1.165 1.00 0.00 O ATOM 0 H SER A 46 8.564 7.593 -2.024 1.00 0.00 H new ATOM 0 HA SER A 46 9.860 9.512 -0.411 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.157 8.116 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.651 9.491 0.837 1.00 0.00 H new ATOM 0 HG SER A 46 7.316 9.395 -2.012 1.00 0.00 H new ATOM 937 N VAL A 47 9.820 6.502 0.835 1.00 0.00 N ATOM 938 CA VAL A 47 10.471 5.611 1.824 1.00 0.00 C ATOM 939 C VAL A 47 11.838 5.067 1.362 1.00 0.00 C ATOM 940 O VAL A 47 12.370 4.127 1.957 1.00 0.00 O ATOM 941 CB VAL A 47 9.523 4.513 2.349 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.216 5.095 2.890 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.161 3.463 1.294 1.00 0.00 C ATOM 0 H VAL A 47 9.418 5.987 0.052 1.00 0.00 H new ATOM 0 HA VAL A 47 10.700 6.244 2.681 1.00 0.00 H new ATOM 0 HB VAL A 47 10.087 4.032 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.579 4.287 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.434 5.777 3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.702 5.636 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.492 2.722 1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.665 3.948 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.068 2.971 0.944 1.00 0.00 H new ATOM 953 N GLY A 48 12.445 5.675 0.334 1.00 0.00 N ATOM 954 CA GLY A 48 13.834 5.422 -0.071 1.00 0.00 C ATOM 955 C GLY A 48 14.067 4.235 -1.017 1.00 0.00 C ATOM 956 O GLY A 48 15.181 3.705 -1.050 1.00 0.00 O ATOM 0 H GLY A 48 11.976 6.368 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.218 6.322 -0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.428 5.263 0.829 1.00 0.00 H new ATOM 960 N ALA A 49 13.060 3.807 -1.788 1.00 0.00 N ATOM 961 CA ALA A 49 13.212 2.778 -2.821 1.00 0.00 C ATOM 962 C ALA A 49 14.283 3.167 -3.875 1.00 0.00 C ATOM 963 O ALA A 49 14.326 4.310 -4.340 1.00 0.00 O ATOM 964 CB ALA A 49 11.821 2.544 -3.420 1.00 0.00 C ATOM 0 H ALA A 49 12.109 4.169 -1.711 1.00 0.00 H new ATOM 0 HA ALA A 49 13.586 1.847 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.883 1.782 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.140 2.209 -2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.450 3.474 -3.851 1.00 0.00 H new ATOM 970 N GLN A 50 15.181 2.240 -4.228 1.00 0.00 N ATOM 971 CA GLN A 50 16.375 2.527 -5.046 1.00 0.00 C ATOM 972 C GLN A 50 16.135 2.450 -6.569 1.00 0.00 C ATOM 973 O GLN A 50 16.599 3.319 -7.314 1.00 0.00 O ATOM 974 CB GLN A 50 17.511 1.586 -4.599 1.00 0.00 C ATOM 975 CG GLN A 50 18.827 1.690 -5.394 1.00 0.00 C ATOM 976 CD GLN A 50 19.525 3.046 -5.265 1.00 0.00 C ATOM 977 OE1 GLN A 50 20.365 3.265 -4.400 1.00 0.00 O ATOM 978 NE2 GLN A 50 19.107 4.053 -6.005 1.00 0.00 N ATOM 0 H GLN A 50 15.103 1.261 -3.954 1.00 0.00 H new ATOM 0 HA GLN A 50 16.652 3.567 -4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.727 1.783 -3.549 1.00 0.00 H new ATOM 0 HB3 GLN A 50 17.151 0.559 -4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.507 0.909 -5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.620 1.498 -6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 50 18.408 3.896 -6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 50 19.482 4.989 -5.851 1.00 0.00 H new ATOM 987 N LYS A 51 15.447 1.400 -7.029 1.00 0.00 N ATOM 988 CA LYS A 51 15.088 1.125 -8.434 1.00 0.00 C ATOM 989 C LYS A 51 13.742 1.751 -8.833 1.00 0.00 C ATOM 990 O LYS A 51 13.013 2.279 -7.991 1.00 0.00 O ATOM 991 CB LYS A 51 15.077 -0.401 -8.666 1.00 0.00 C ATOM 992 CG LYS A 51 16.444 -1.056 -8.405 1.00 0.00 C ATOM 993 CD LYS A 51 16.401 -2.557 -8.721 1.00 0.00 C ATOM 994 CE LYS A 51 17.775 -3.187 -8.459 1.00 0.00 C ATOM 995 NZ LYS A 51 17.777 -4.642 -8.764 1.00 0.00 N ATOM 0 H LYS A 51 15.104 0.675 -6.399 1.00 0.00 H new ATOM 0 HA LYS A 51 15.840 1.590 -9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.331 -0.857 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.772 -0.605 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.206 -0.573 -9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 51 16.730 -0.907 -7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.645 -3.045 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.114 -2.710 -9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.528 -2.686 -9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 51 18.054 -3.033 -7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.721 -5.035 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.076 -5.123 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.535 -4.787 -9.765 1.00 0.00 H new ATOM 1009 N ASP A 52 13.403 1.663 -10.119 1.00 0.00 N ATOM 1010 CA ASP A 52 12.117 2.068 -10.712 1.00 0.00 C ATOM 1011 C ASP A 52 11.114 0.940 -11.045 1.00 0.00 C ATOM 1012 O ASP A 52 9.979 1.212 -11.444 1.00 0.00 O ATOM 1013 CB ASP A 52 12.315 3.061 -11.874 1.00 0.00 C ATOM 1014 CG ASP A 52 13.380 2.681 -12.925 1.00 0.00 C ATOM 1015 OD1 ASP A 52 13.912 1.544 -12.915 1.00 0.00 O ATOM 1016 OD2 ASP A 52 13.683 3.539 -13.789 1.00 0.00 O ATOM 0 H ASP A 52 14.047 1.289 -10.816 1.00 0.00 H new ATOM 0 HA ASP A 52 11.610 2.586 -9.898 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.360 3.185 -12.384 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.580 4.031 -11.454 1.00 0.00 H new ATOM 1021 N THR A 53 11.499 -0.327 -10.853 1.00 0.00 N ATOM 1022 CA THR A 53 10.668 -1.522 -11.124 1.00 0.00 C ATOM 1023 C THR A 53 10.819 -2.496 -9.950 1.00 0.00 C ATOM 1024 O THR A 53 11.889 -2.634 -9.351 1.00 0.00 O ATOM 1025 CB THR A 53 11.119 -2.269 -12.395 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.527 -2.300 -12.535 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.528 -1.627 -13.646 1.00 0.00 C ATOM 0 H THR A 53 12.424 -0.564 -10.494 1.00 0.00 H new ATOM 0 HA THR A 53 9.640 -1.184 -11.258 1.00 0.00 H new ATOM 0 HB THR A 53 10.755 -3.291 -12.286 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.764 -2.785 -13.353 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.862 -2.173 -14.528 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.440 -1.657 -13.591 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.859 -0.591 -13.714 1.00 0.00 H new ATOM 1035 N TYR A 54 9.716 -3.191 -9.644 1.00 0.00 N ATOM 1036 CA TYR A 54 9.526 -4.039 -8.461 1.00 0.00 C ATOM 1037 C TYR A 54 8.584 -5.229 -8.669 1.00 0.00 C ATOM 1038 O TYR A 54 7.812 -5.225 -9.627 1.00 0.00 O ATOM 1039 CB TYR A 54 9.033 -3.167 -7.292 1.00 0.00 C ATOM 1040 CG TYR A 54 10.074 -2.201 -6.779 1.00 0.00 C ATOM 1041 CD1 TYR A 54 11.209 -2.691 -6.102 1.00 0.00 C ATOM 1042 CD2 TYR A 54 9.952 -0.828 -7.065 1.00 0.00 C ATOM 1043 CE1 TYR A 54 12.238 -1.808 -5.735 1.00 0.00 C ATOM 1044 CE2 TYR A 54 10.976 0.060 -6.694 1.00 0.00 C ATOM 1045 CZ TYR A 54 12.123 -0.436 -6.036 1.00 0.00 C ATOM 1046 OH TYR A 54 13.136 0.403 -5.717 1.00 0.00 O ATOM 0 H TYR A 54 8.892 -3.176 -10.244 1.00 0.00 H new ATOM 0 HA TYR A 54 10.497 -4.482 -8.241 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.155 -2.606 -7.613 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.716 -3.815 -6.475 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.287 -3.742 -5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.072 -0.457 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.114 -2.179 -5.224 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.886 1.114 -6.911 1.00 0.00 H new ATOM 0 HH TYR A 54 13.092 1.200 -6.286 1.00 0.00 H new ATOM 1056 N THR A 55 8.633 -6.229 -7.785 1.00 0.00 N ATOM 1057 CA THR A 55 7.629 -7.310 -7.678 1.00 0.00 C ATOM 1058 C THR A 55 6.404 -6.919 -6.843 1.00 0.00 C ATOM 1059 O THR A 55 6.465 -5.948 -6.087 1.00 0.00 O ATOM 1060 CB THR A 55 8.220 -8.650 -7.199 1.00 0.00 C ATOM 1061 OG1 THR A 55 8.231 -8.689 -5.785 1.00 0.00 O ATOM 1062 CG2 THR A 55 9.645 -8.932 -7.676 1.00 0.00 C ATOM 0 H THR A 55 9.387 -6.319 -7.104 1.00 0.00 H new ATOM 0 HA THR A 55 7.285 -7.462 -8.701 1.00 0.00 H new ATOM 0 HB THR A 55 7.575 -9.412 -7.636 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.606 -9.543 -5.484 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.974 -9.896 -7.289 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.667 -8.952 -8.766 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.311 -8.149 -7.314 1.00 0.00 H new ATOM 1070 N MET A 56 5.309 -7.686 -6.901 1.00 0.00 N ATOM 1071 CA MET A 56 4.153 -7.505 -6.009 1.00 0.00 C ATOM 1072 C MET A 56 4.549 -7.504 -4.521 1.00 0.00 C ATOM 1073 O MET A 56 4.090 -6.651 -3.759 1.00 0.00 O ATOM 1074 CB MET A 56 3.102 -8.600 -6.261 1.00 0.00 C ATOM 1075 CG MET A 56 2.295 -8.340 -7.535 1.00 0.00 C ATOM 1076 SD MET A 56 1.168 -6.929 -7.400 1.00 0.00 S ATOM 1077 CE MET A 56 0.720 -6.716 -9.137 1.00 0.00 C ATOM 0 H MET A 56 5.197 -8.450 -7.567 1.00 0.00 H new ATOM 0 HA MET A 56 3.731 -6.527 -6.239 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.598 -9.568 -6.338 1.00 0.00 H new ATOM 0 HB3 MET A 56 2.425 -8.656 -5.408 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.983 -8.168 -8.363 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.719 -9.233 -7.780 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.026 -5.882 -9.234 1.00 0.00 H new ATOM 0 HE2 MET A 56 1.617 -6.511 -9.722 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.247 -7.626 -9.505 1.00 0.00 H new ATOM 1087 N LYS A 57 5.447 -8.412 -4.109 1.00 0.00 N ATOM 1088 CA LYS A 57 5.957 -8.504 -2.731 1.00 0.00 C ATOM 1089 C LYS A 57 6.782 -7.280 -2.341 1.00 0.00 C ATOM 1090 O LYS A 57 6.599 -6.747 -1.249 1.00 0.00 O ATOM 1091 CB LYS A 57 6.739 -9.822 -2.568 1.00 0.00 C ATOM 1092 CG LYS A 57 7.261 -10.072 -1.142 1.00 0.00 C ATOM 1093 CD LYS A 57 8.687 -9.551 -0.879 1.00 0.00 C ATOM 1094 CE LYS A 57 9.132 -9.733 0.581 1.00 0.00 C ATOM 1095 NZ LYS A 57 9.232 -11.162 0.983 1.00 0.00 N ATOM 0 H LYS A 57 5.846 -9.114 -4.733 1.00 0.00 H new ATOM 0 HA LYS A 57 5.114 -8.515 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.095 -10.652 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.584 -9.818 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.580 -9.602 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.238 -11.144 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.385 -10.073 -1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.735 -8.494 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.100 -9.253 0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.425 -9.225 1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.552 -11.223 1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.300 -11.614 0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.914 -11.649 0.367 1.00 0.00 H new ATOM 1109 N GLU A 58 7.669 -6.814 -3.221 1.00 0.00 N ATOM 1110 CA GLU A 58 8.484 -5.617 -2.969 1.00 0.00 C ATOM 1111 C GLU A 58 7.633 -4.338 -2.881 1.00 0.00 C ATOM 1112 O GLU A 58 7.841 -3.520 -1.983 1.00 0.00 O ATOM 1113 CB GLU A 58 9.559 -5.462 -4.055 1.00 0.00 C ATOM 1114 CG GLU A 58 10.639 -6.557 -4.061 1.00 0.00 C ATOM 1115 CD GLU A 58 11.518 -6.627 -2.794 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.517 -5.685 -1.966 1.00 0.00 O ATOM 1117 OE2 GLU A 58 12.245 -7.637 -2.633 1.00 0.00 O ATOM 0 H GLU A 58 7.845 -7.251 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 58 8.965 -5.756 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.071 -5.449 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.045 -4.494 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.153 -7.523 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.287 -6.400 -4.924 1.00 0.00 H new ATOM 1124 N VAL A 59 6.628 -4.193 -3.756 1.00 0.00 N ATOM 1125 CA VAL A 59 5.661 -3.082 -3.703 1.00 0.00 C ATOM 1126 C VAL A 59 4.894 -3.137 -2.380 1.00 0.00 C ATOM 1127 O VAL A 59 4.835 -2.120 -1.690 1.00 0.00 O ATOM 1128 CB VAL A 59 4.686 -3.134 -4.897 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.514 -2.157 -4.740 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.409 -2.765 -6.199 1.00 0.00 C ATOM 0 H VAL A 59 6.460 -4.844 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 59 6.207 -2.140 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 59 4.306 -4.155 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.858 -2.233 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.954 -2.403 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.897 -1.139 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.705 -2.807 -7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.814 -1.756 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.222 -3.469 -6.376 1.00 0.00 H new ATOM 1140 N LEU A 60 4.350 -4.298 -1.985 1.00 0.00 N ATOM 1141 CA LEU A 60 3.650 -4.452 -0.701 1.00 0.00 C ATOM 1142 C LEU A 60 4.570 -4.112 0.480 1.00 0.00 C ATOM 1143 O LEU A 60 4.149 -3.378 1.373 1.00 0.00 O ATOM 1144 CB LEU A 60 3.093 -5.880 -0.551 1.00 0.00 C ATOM 1145 CG LEU A 60 1.838 -6.167 -1.397 1.00 0.00 C ATOM 1146 CD1 LEU A 60 1.557 -7.667 -1.390 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.589 -5.462 -0.863 1.00 0.00 C ATOM 0 H LEU A 60 4.382 -5.151 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 60 2.816 -3.750 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.872 -6.591 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.857 -6.056 0.498 1.00 0.00 H new ATOM 0 HG LEU A 60 2.044 -5.794 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.669 -7.874 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.410 -8.199 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.391 -8.001 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.264 -5.701 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.388 -5.798 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.751 -4.384 -0.864 1.00 0.00 H new ATOM 1159 N PHE A 61 5.825 -4.571 0.478 1.00 0.00 N ATOM 1160 CA PHE A 61 6.824 -4.163 1.468 1.00 0.00 C ATOM 1161 C PHE A 61 6.991 -2.650 1.657 1.00 0.00 C ATOM 1162 O PHE A 61 6.732 -2.129 2.745 1.00 0.00 O ATOM 1163 CB PHE A 61 8.147 -4.932 1.307 1.00 0.00 C ATOM 1164 CG PHE A 61 9.330 -4.290 2.013 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.527 -4.499 3.392 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.207 -3.443 1.305 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.587 -3.858 4.061 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.266 -2.804 1.975 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.454 -3.008 3.353 1.00 0.00 C ATOM 0 H PHE A 61 6.176 -5.236 -0.211 1.00 0.00 H new ATOM 0 HA PHE A 61 6.406 -4.467 2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.015 -5.944 1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.376 -5.020 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.863 -5.153 3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.065 -3.284 0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.734 -4.019 5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.936 -2.156 1.430 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.264 -2.512 3.867 1.00 0.00 H new ATOM 1179 N TYR A 62 7.353 -1.942 0.583 1.00 0.00 N ATOM 1180 CA TYR A 62 7.497 -0.485 0.579 1.00 0.00 C ATOM 1181 C TYR A 62 6.231 0.318 0.918 1.00 0.00 C ATOM 1182 O TYR A 62 6.275 1.271 1.698 1.00 0.00 O ATOM 1183 CB TYR A 62 8.121 -0.019 -0.742 1.00 0.00 C ATOM 1184 CG TYR A 62 9.603 -0.289 -0.934 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.557 0.285 -0.071 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.032 -1.076 -2.021 1.00 0.00 C ATOM 1187 CE1 TYR A 62 11.932 0.094 -0.307 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.403 -1.294 -2.245 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.361 -0.699 -1.394 1.00 0.00 C ATOM 1190 OH TYR A 62 13.692 -0.879 -1.615 1.00 0.00 O ATOM 0 H TYR A 62 7.557 -2.371 -0.320 1.00 0.00 H new ATOM 0 HA TYR A 62 8.168 -0.265 1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.580 -0.496 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.957 1.055 -0.835 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.233 0.874 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.303 -1.515 -2.686 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.660 0.555 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.724 -1.916 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 62 13.819 -1.451 -2.401 1.00 0.00 H new ATOM 1200 N LEU A 63 5.086 -0.110 0.381 1.00 0.00 N ATOM 1201 CA LEU A 63 3.770 0.466 0.656 1.00 0.00 C ATOM 1202 C LEU A 63 3.387 0.318 2.138 1.00 0.00 C ATOM 1203 O LEU A 63 2.925 1.275 2.758 1.00 0.00 O ATOM 1204 CB LEU A 63 2.773 -0.201 -0.313 1.00 0.00 C ATOM 1205 CG LEU A 63 1.312 0.270 -0.247 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.175 1.770 -0.499 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.512 -0.452 -1.336 1.00 0.00 C ATOM 0 H LEU A 63 5.049 -0.889 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 63 3.765 1.542 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.133 -0.045 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.791 -1.275 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 63 0.943 0.047 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.124 2.054 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.741 2.319 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.562 2.009 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.528 -0.126 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.933 -0.216 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.561 -1.528 -1.170 1.00 0.00 H new ATOM 1219 N GLY A 64 3.686 -0.836 2.744 1.00 0.00 N ATOM 1220 CA GLY A 64 3.534 -1.065 4.182 1.00 0.00 C ATOM 1221 C GLY A 64 4.455 -0.187 5.039 1.00 0.00 C ATOM 1222 O GLY A 64 4.009 0.335 6.062 1.00 0.00 O ATOM 0 H GLY A 64 4.045 -1.647 2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.498 -0.877 4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.738 -2.113 4.399 1.00 0.00 H new ATOM 1226 N GLN A 65 5.701 0.058 4.606 1.00 0.00 N ATOM 1227 CA GLN A 65 6.603 0.992 5.304 1.00 0.00 C ATOM 1228 C GLN A 65 6.045 2.424 5.295 1.00 0.00 C ATOM 1229 O GLN A 65 6.152 3.131 6.300 1.00 0.00 O ATOM 1230 CB GLN A 65 8.026 1.007 4.706 1.00 0.00 C ATOM 1231 CG GLN A 65 8.797 -0.323 4.611 1.00 0.00 C ATOM 1232 CD GLN A 65 8.494 -1.319 5.728 1.00 0.00 C ATOM 1233 OE1 GLN A 65 8.919 -1.169 6.866 1.00 0.00 O ATOM 1234 NE2 GLN A 65 7.693 -2.326 5.459 1.00 0.00 N ATOM 0 H GLN A 65 6.108 -0.376 3.778 1.00 0.00 H new ATOM 0 HA GLN A 65 6.666 0.628 6.329 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.959 1.424 3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.627 1.697 5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.569 -0.792 3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.866 -0.108 4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.336 -2.455 4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.428 -2.978 6.197 1.00 0.00 H new ATOM 1243 N TYR A 66 5.412 2.848 4.194 1.00 0.00 N ATOM 1244 CA TYR A 66 4.808 4.178 4.077 1.00 0.00 C ATOM 1245 C TYR A 66 3.596 4.312 5.008 1.00 0.00 C ATOM 1246 O TYR A 66 3.520 5.260 5.788 1.00 0.00 O ATOM 1247 CB TYR A 66 4.436 4.447 2.617 1.00 0.00 C ATOM 1248 CG TYR A 66 3.869 5.832 2.352 1.00 0.00 C ATOM 1249 CD1 TYR A 66 4.746 6.883 2.023 1.00 0.00 C ATOM 1250 CD2 TYR A 66 2.478 6.063 2.384 1.00 0.00 C ATOM 1251 CE1 TYR A 66 4.243 8.156 1.698 1.00 0.00 C ATOM 1252 CE2 TYR A 66 1.969 7.337 2.054 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.852 8.382 1.700 1.00 0.00 C ATOM 1254 OH TYR A 66 2.372 9.613 1.378 1.00 0.00 O ATOM 0 H TYR A 66 5.305 2.275 3.357 1.00 0.00 H new ATOM 0 HA TYR A 66 5.533 4.930 4.389 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.323 4.308 1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.705 3.703 2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.812 6.711 2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.804 5.266 2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.921 8.958 1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.904 7.514 2.072 1.00 0.00 H new ATOM 0 HH TYR A 66 1.393 9.605 1.425 1.00 0.00 H new ATOM 1264 N ILE A 67 2.694 3.322 5.002 1.00 0.00 N ATOM 1265 CA ILE A 67 1.510 3.280 5.879 1.00 0.00 C ATOM 1266 C ILE A 67 1.908 3.308 7.365 1.00 0.00 C ATOM 1267 O ILE A 67 1.272 4.013 8.153 1.00 0.00 O ATOM 1268 CB ILE A 67 0.633 2.051 5.539 1.00 0.00 C ATOM 1269 CG1 ILE A 67 0.056 2.158 4.107 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.524 1.902 6.546 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.374 0.809 3.511 1.00 0.00 C ATOM 0 H ILE A 67 2.764 2.516 4.381 1.00 0.00 H new ATOM 0 HA ILE A 67 0.916 4.176 5.698 1.00 0.00 H new ATOM 0 HB ILE A 67 1.273 1.171 5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.803 2.829 4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.804 2.610 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.125 1.031 6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.119 1.775 7.550 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.148 2.795 6.518 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.768 0.964 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.486 0.141 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.146 0.363 4.139 1.00 0.00 H new ATOM 1283 N MET A 68 2.988 2.609 7.739 1.00 0.00 N ATOM 1284 CA MET A 68 3.562 2.662 9.090 1.00 0.00 C ATOM 1285 C MET A 68 4.159 4.026 9.449 1.00 0.00 C ATOM 1286 O MET A 68 3.764 4.611 10.454 1.00 0.00 O ATOM 1287 CB MET A 68 4.619 1.569 9.294 1.00 0.00 C ATOM 1288 CG MET A 68 3.967 0.208 9.539 1.00 0.00 C ATOM 1289 SD MET A 68 5.114 -1.092 10.066 1.00 0.00 S ATOM 1290 CE MET A 68 6.081 -1.292 8.549 1.00 0.00 C ATOM 0 H MET A 68 3.492 1.986 7.108 1.00 0.00 H new ATOM 0 HA MET A 68 2.723 2.489 9.764 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.263 1.514 8.416 1.00 0.00 H new ATOM 0 HB3 MET A 68 5.255 1.828 10.140 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.193 0.322 10.298 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.470 -0.113 8.623 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.676 -2.203 8.614 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.408 -1.359 7.694 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.743 -0.435 8.424 1.00 0.00 H new ATOM 1300 N THR A 69 5.084 4.560 8.644 1.00 0.00 N ATOM 1301 CA THR A 69 5.749 5.844 8.941 1.00 0.00 C ATOM 1302 C THR A 69 4.823 7.068 8.949 1.00 0.00 C ATOM 1303 O THR A 69 4.978 7.974 9.773 1.00 0.00 O ATOM 1304 CB THR A 69 7.026 6.026 8.098 1.00 0.00 C ATOM 1305 OG1 THR A 69 7.917 6.917 8.735 1.00 0.00 O ATOM 1306 CG2 THR A 69 6.756 6.587 6.704 1.00 0.00 C ATOM 0 H THR A 69 5.394 4.124 7.776 1.00 0.00 H new ATOM 0 HA THR A 69 6.064 5.780 9.982 1.00 0.00 H new ATOM 0 HB THR A 69 7.451 5.027 8.001 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.723 7.020 8.188 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.698 6.690 6.165 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.098 5.909 6.160 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.279 7.563 6.791 1.00 0.00 H new ATOM 1314 N LYS A 70 3.791 7.054 8.093 1.00 0.00 N ATOM 1315 CA LYS A 70 2.687 8.030 8.059 1.00 0.00 C ATOM 1316 C LYS A 70 1.586 7.764 9.105 1.00 0.00 C ATOM 1317 O LYS A 70 0.733 8.628 9.318 1.00 0.00 O ATOM 1318 CB LYS A 70 2.093 8.041 6.640 1.00 0.00 C ATOM 1319 CG LYS A 70 3.066 8.532 5.549 1.00 0.00 C ATOM 1320 CD LYS A 70 2.854 9.992 5.133 1.00 0.00 C ATOM 1321 CE LYS A 70 1.502 10.168 4.427 1.00 0.00 C ATOM 1322 NZ LYS A 70 1.401 11.475 3.735 1.00 0.00 N ATOM 0 H LYS A 70 3.697 6.335 7.376 1.00 0.00 H new ATOM 0 HA LYS A 70 3.101 9.004 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.763 7.033 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.208 8.677 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.088 8.412 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.961 7.896 4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.896 10.635 6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.659 10.306 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.363 9.364 3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.698 10.082 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.534 11.498 3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.371 12.239 4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.228 11.606 3.117 1.00 0.00 H new ATOM 1336 N ARG A 71 1.593 6.585 9.745 1.00 0.00 N ATOM 1337 CA ARG A 71 0.622 6.100 10.751 1.00 0.00 C ATOM 1338 C ARG A 71 -0.840 6.186 10.285 1.00 0.00 C ATOM 1339 O ARG A 71 -1.708 6.704 10.988 1.00 0.00 O ATOM 1340 CB ARG A 71 0.884 6.736 12.132 1.00 0.00 C ATOM 1341 CG ARG A 71 2.288 6.412 12.671 1.00 0.00 C ATOM 1342 CD ARG A 71 2.496 6.927 14.099 1.00 0.00 C ATOM 1343 NE ARG A 71 1.666 6.182 15.067 1.00 0.00 N ATOM 1344 CZ ARG A 71 1.102 6.651 16.167 1.00 0.00 C ATOM 1345 NH1 ARG A 71 1.256 7.884 16.560 1.00 0.00 N ATOM 1346 NH2 ARG A 71 0.362 5.878 16.908 1.00 0.00 N ATOM 0 H ARG A 71 2.323 5.896 9.565 1.00 0.00 H new ATOM 0 HA ARG A 71 0.791 5.030 10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.767 7.817 12.059 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.135 6.381 12.840 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.443 5.333 12.650 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.038 6.854 12.015 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.547 6.834 14.371 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.248 7.987 14.145 1.00 0.00 H new ATOM 0 HE ARG A 71 1.510 5.195 14.864 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.829 8.526 16.012 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.804 8.207 17.415 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.215 4.905 16.641 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.070 6.246 17.755 1.00 0.00 H new ATOM 1360 N LEU A 72 -1.103 5.694 9.071 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.424 5.757 8.418 1.00 0.00 C ATOM 1362 C LEU A 72 -3.410 4.676 8.903 1.00 0.00 C ATOM 1363 O LEU A 72 -4.579 4.691 8.518 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.269 5.741 6.881 1.00 0.00 C ATOM 1365 CG LEU A 72 -1.310 6.808 6.329 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -1.074 6.624 4.833 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.852 8.214 6.563 1.00 0.00 C ATOM 0 H LEU A 72 -0.395 5.232 8.500 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.872 6.705 8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.914 4.757 6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.250 5.882 6.427 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.368 6.685 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.392 7.395 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.639 5.641 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.023 6.704 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.151 8.946 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.814 8.321 6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.979 8.382 7.633 1.00 0.00 H new ATOM 1379 N TYR A 73 -2.964 3.743 9.749 1.00 0.00 N ATOM 1380 CA TYR A 73 -3.841 2.790 10.435 1.00 0.00 C ATOM 1381 C TYR A 73 -4.783 3.426 11.481 1.00 0.00 C ATOM 1382 O TYR A 73 -4.406 4.388 12.154 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.046 1.607 11.009 1.00 0.00 C ATOM 1384 CG TYR A 73 -1.859 1.999 11.875 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -2.062 2.216 13.252 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -0.571 2.165 11.320 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -0.990 2.601 14.077 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.501 2.566 12.144 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.293 2.787 13.523 1.00 0.00 C ATOM 1390 OH TYR A 73 1.327 3.177 14.319 1.00 0.00 O ATOM 0 H TYR A 73 -1.977 3.627 9.979 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.509 2.404 9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.720 0.986 11.600 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.688 0.992 10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.046 2.086 13.677 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.407 1.985 10.268 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.150 2.754 15.134 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.484 2.704 11.719 1.00 0.00 H new ATOM 0 HH TYR A 73 2.142 3.258 13.781 1.00 0.00 H new ATOM 1400 N ASP A 74 -5.994 2.892 11.653 1.00 0.00 N ATOM 1401 CA ASP A 74 -6.917 3.304 12.720 1.00 0.00 C ATOM 1402 C ASP A 74 -6.408 2.993 14.142 1.00 0.00 C ATOM 1403 O ASP A 74 -5.998 1.867 14.421 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.330 2.773 12.445 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.334 2.882 13.597 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.254 3.832 14.408 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.236 2.022 13.665 1.00 0.00 O ATOM 0 H ASP A 74 -6.367 2.156 11.053 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.966 4.393 12.698 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.735 3.309 11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.251 1.724 12.158 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.447 3.963 15.058 1.00 0.00 N ATOM 1413 CA GLU A 75 -6.057 3.768 16.463 1.00 0.00 C ATOM 1414 C GLU A 75 -6.939 2.745 17.212 1.00 0.00 C ATOM 1415 O GLU A 75 -6.458 2.095 18.145 1.00 0.00 O ATOM 1416 CB GLU A 75 -6.037 5.122 17.196 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.402 5.831 17.287 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.340 7.212 17.977 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.283 7.608 18.529 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -8.376 7.923 17.982 1.00 0.00 O ATOM 0 H GLU A 75 -6.752 4.914 14.848 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.054 3.342 16.456 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.657 4.966 18.206 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.334 5.783 16.689 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.805 5.955 16.282 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.097 5.193 17.833 1.00 0.00 H new ATOM 1427 N LYS A 76 -8.205 2.571 16.800 1.00 0.00 N ATOM 1428 CA LYS A 76 -9.138 1.572 17.353 1.00 0.00 C ATOM 1429 C LYS A 76 -8.896 0.189 16.745 1.00 0.00 C ATOM 1430 O LYS A 76 -8.525 -0.743 17.461 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.604 2.004 17.167 1.00 0.00 C ATOM 1432 CG LYS A 76 -10.885 3.396 17.742 1.00 0.00 C ATOM 1433 CD LYS A 76 -12.364 3.810 17.636 1.00 0.00 C ATOM 1434 CE LYS A 76 -13.354 2.911 18.393 1.00 0.00 C ATOM 1435 NZ LYS A 76 -13.148 2.947 19.866 1.00 0.00 N ATOM 0 H LYS A 76 -8.619 3.133 16.056 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.945 1.507 18.424 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.849 1.997 16.105 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.257 1.277 17.649 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.583 3.417 18.789 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.271 4.129 17.218 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.466 4.829 18.009 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.645 3.826 16.583 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.372 3.225 18.164 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.250 1.885 18.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.841 2.324 20.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.186 2.622 20.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.273 3.920 20.210 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.079 0.062 15.429 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.838 -1.168 14.664 1.00 0.00 C ATOM 1451 C GLN A 77 -7.613 -1.022 13.747 1.00 0.00 C ATOM 1452 O GLN A 77 -7.728 -0.598 12.599 1.00 0.00 O ATOM 1453 CB GLN A 77 -10.102 -1.571 13.880 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.151 -2.317 14.717 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.831 -1.484 15.803 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -12.373 -0.411 15.573 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -11.877 -1.964 17.029 1.00 0.00 N ATOM 0 H GLN A 77 -9.408 0.833 14.848 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.613 -1.972 15.364 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.558 -0.674 13.462 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.809 -2.201 13.040 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.918 -2.706 14.047 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.673 -3.176 15.187 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.432 -2.856 17.244 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.357 -1.443 17.763 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.430 -1.426 14.221 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.168 -1.256 13.477 1.00 0.00 C ATOM 1468 C GLN A 78 -5.102 -2.091 12.182 1.00 0.00 C ATOM 1469 O GLN A 78 -4.277 -1.827 11.309 1.00 0.00 O ATOM 1470 CB GLN A 78 -3.970 -1.536 14.401 1.00 0.00 C ATOM 1471 CG GLN A 78 -3.889 -0.529 15.566 1.00 0.00 C ATOM 1472 CD GLN A 78 -2.658 -0.693 16.455 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -1.717 -1.420 16.168 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -2.611 -0.016 17.582 1.00 0.00 N ATOM 0 H GLN A 78 -6.315 -1.879 15.128 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.126 -0.218 13.148 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.050 -2.547 14.801 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.048 -1.494 13.821 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.896 0.482 15.158 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.783 -0.631 16.181 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.384 0.596 17.842 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.801 -0.103 18.196 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.006 -3.063 12.021 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.223 -3.804 10.777 1.00 0.00 C ATOM 1485 C HIS A 79 -7.005 -3.008 9.705 1.00 0.00 C ATOM 1486 O HIS A 79 -7.325 -3.566 8.660 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.904 -5.139 11.117 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.380 -5.049 11.422 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -9.396 -4.910 10.501 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -8.970 -5.205 12.648 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.566 -4.946 11.157 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -10.359 -5.151 12.471 1.00 0.00 N ATOM 0 H HIS A 79 -6.624 -3.363 12.775 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.252 -3.988 10.318 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.763 -5.824 10.281 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.398 -5.578 11.977 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.455 -5.345 13.587 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.536 -4.827 10.696 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.072 -5.248 13.194 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.342 -1.732 9.939 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.029 -0.835 8.993 1.00 0.00 C ATOM 1502 C ILE A 80 -7.130 0.369 8.688 1.00 0.00 C ATOM 1503 O ILE A 80 -6.569 0.976 9.602 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.417 -0.399 9.530 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.266 -1.625 9.942 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.169 0.457 8.493 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.674 -1.301 10.458 1.00 0.00 C ATOM 0 H ILE A 80 -7.136 -1.276 10.828 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.214 -1.374 8.064 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.250 0.211 10.417 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.355 -2.290 9.083 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.730 -2.174 10.716 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.139 0.748 8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.586 1.350 8.267 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.314 -0.121 7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.187 -2.226 10.720 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.601 -0.664 11.340 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.236 -0.782 9.681 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.003 0.727 7.407 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.235 1.885 6.915 1.00 0.00 C ATOM 1521 C VAL A 81 -7.153 3.012 6.447 1.00 0.00 C ATOM 1522 O VAL A 81 -8.104 2.762 5.708 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.233 1.489 5.809 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.267 2.636 5.493 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.392 0.265 6.193 1.00 0.00 C ATOM 0 H VAL A 81 -7.447 0.202 6.653 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.655 2.258 7.759 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.841 1.251 4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.575 2.324 4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.832 3.504 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.706 2.897 6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.704 0.028 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.825 0.483 7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.049 -0.586 6.372 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.857 4.249 6.857 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.548 5.482 6.471 1.00 0.00 C ATOM 1537 C TYR A 82 -6.819 6.354 5.441 1.00 0.00 C ATOM 1538 O TYR A 82 -6.087 7.286 5.780 1.00 0.00 O ATOM 1539 CB TYR A 82 -8.108 6.231 7.687 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.377 5.605 8.235 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.295 4.489 9.088 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.638 6.115 7.863 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.469 3.882 9.572 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.815 5.509 8.345 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.733 4.389 9.201 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.864 3.792 9.670 1.00 0.00 O ATOM 0 H TYR A 82 -6.087 4.426 7.502 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.417 5.161 5.897 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.352 6.254 8.472 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.310 7.265 7.408 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.329 4.097 9.372 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.702 6.971 7.208 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.403 3.027 10.228 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.780 5.901 8.060 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.650 4.262 9.322 1.00 0.00 H new ATOM 1556 N CYS A 83 -6.997 6.008 4.169 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.311 6.585 3.014 1.00 0.00 C ATOM 1558 C CYS A 83 -6.801 8.009 2.654 1.00 0.00 C ATOM 1559 O CYS A 83 -6.149 8.702 1.871 1.00 0.00 O ATOM 1560 CB CYS A 83 -6.562 5.643 1.824 1.00 0.00 C ATOM 1561 SG CYS A 83 -6.448 3.884 2.269 1.00 0.00 S ATOM 0 H CYS A 83 -7.658 5.279 3.901 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.252 6.682 3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -7.551 5.844 1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.839 5.860 1.038 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.673 3.155 1.217 1.00 0.00 H new ATOM 1567 N SER A 84 -7.957 8.435 3.178 1.00 0.00 N ATOM 1568 CA SER A 84 -8.672 9.660 2.785 1.00 0.00 C ATOM 1569 C SER A 84 -7.809 10.933 2.813 1.00 0.00 C ATOM 1570 O SER A 84 -7.033 11.160 3.746 1.00 0.00 O ATOM 1571 CB SER A 84 -9.899 9.849 3.684 1.00 0.00 C ATOM 1572 OG SER A 84 -10.685 10.935 3.223 1.00 0.00 O ATOM 0 H SER A 84 -8.439 7.919 3.914 1.00 0.00 H new ATOM 0 HA SER A 84 -8.966 9.519 1.745 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.496 8.937 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.581 10.031 4.711 1.00 0.00 H new ATOM 0 HG SER A 84 -11.466 11.044 3.805 1.00 0.00 H new ATOM 1578 N ASN A 85 -7.975 11.780 1.787 1.00 0.00 N ATOM 1579 CA ASN A 85 -7.287 13.065 1.580 1.00 0.00 C ATOM 1580 C ASN A 85 -5.740 13.001 1.504 1.00 0.00 C ATOM 1581 O ASN A 85 -5.069 14.030 1.618 1.00 0.00 O ATOM 1582 CB ASN A 85 -7.828 14.119 2.572 1.00 0.00 C ATOM 1583 CG ASN A 85 -9.317 14.394 2.419 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -9.871 14.423 1.327 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -10.008 14.670 3.504 1.00 0.00 N ATOM 0 H ASN A 85 -8.632 11.575 1.034 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.536 13.385 0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.632 13.782 3.590 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.279 15.051 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.998 14.906 3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.554 14.648 4.417 1.00 0.00 H new ATOM 1592 N ASP A 86 -5.165 11.812 1.297 1.00 0.00 N ATOM 1593 CA ASP A 86 -3.719 11.565 1.186 1.00 0.00 C ATOM 1594 C ASP A 86 -3.296 10.930 -0.162 1.00 0.00 C ATOM 1595 O ASP A 86 -4.143 10.431 -0.910 1.00 0.00 O ATOM 1596 CB ASP A 86 -3.262 10.771 2.426 1.00 0.00 C ATOM 1597 CG ASP A 86 -1.783 10.387 2.363 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -0.945 11.317 2.295 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -1.466 9.182 2.295 1.00 0.00 O ATOM 0 H ASP A 86 -5.715 10.959 1.198 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.197 12.522 1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.442 11.366 3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.865 9.868 2.518 1.00 0.00 H new ATOM 1604 N LEU A 87 -1.991 10.893 -0.467 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.416 10.141 -1.592 1.00 0.00 C ATOM 1606 C LEU A 87 -1.877 8.669 -1.614 1.00 0.00 C ATOM 1607 O LEU A 87 -2.137 8.122 -2.687 1.00 0.00 O ATOM 1608 CB LEU A 87 0.117 10.255 -1.514 1.00 0.00 C ATOM 1609 CG LEU A 87 0.898 9.435 -2.563 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.566 9.842 -3.998 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.396 9.652 -2.364 1.00 0.00 C ATOM 0 H LEU A 87 -1.289 11.397 0.075 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.773 10.571 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.392 11.304 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.437 9.941 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 87 0.612 8.393 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.144 9.232 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.498 9.691 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.814 10.893 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.949 9.074 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.629 10.710 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.681 9.327 -1.363 1.00 0.00 H new ATOM 1623 N LEU A 88 -2.050 8.039 -0.445 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.584 6.679 -0.346 1.00 0.00 C ATOM 1625 C LEU A 88 -4.029 6.565 -0.876 1.00 0.00 C ATOM 1626 O LEU A 88 -4.375 5.576 -1.521 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.478 6.208 1.118 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.570 4.679 1.238 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.265 4.007 0.807 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.865 4.223 2.657 1.00 0.00 C ATOM 0 H LEU A 88 -1.823 8.459 0.456 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.988 6.028 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.533 6.549 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.274 6.666 1.705 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.391 4.387 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.363 2.926 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.051 4.260 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.450 4.355 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.920 3.135 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.071 4.564 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.817 4.643 2.984 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.870 7.579 -0.649 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.242 7.644 -1.166 1.00 0.00 C ATOM 1644 C GLY A 89 -6.296 7.948 -2.663 1.00 0.00 C ATOM 1645 O GLY A 89 -7.103 7.358 -3.383 1.00 0.00 O ATOM 0 H GLY A 89 -4.612 8.393 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.743 6.695 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.794 8.412 -0.624 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.386 8.794 -3.153 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.184 9.022 -4.590 1.00 0.00 C ATOM 1651 C ASP A 90 -4.752 7.773 -5.379 1.00 0.00 C ATOM 1652 O ASP A 90 -5.130 7.600 -6.541 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.235 10.209 -4.834 1.00 0.00 C ATOM 1654 CG ASP A 90 -4.845 11.600 -4.569 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.083 11.738 -4.416 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.069 12.586 -4.553 1.00 0.00 O ATOM 0 H ASP A 90 -4.764 9.345 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.167 9.275 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.357 10.088 -4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.890 10.172 -5.867 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.008 6.877 -4.724 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.675 5.541 -5.219 1.00 0.00 C ATOM 1663 C LEU A 91 -4.873 4.576 -5.145 1.00 0.00 C ATOM 1664 O LEU A 91 -5.321 4.079 -6.180 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.481 4.996 -4.414 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.111 5.524 -4.862 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.069 5.096 -3.843 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.711 4.977 -6.232 1.00 0.00 C ATOM 0 H LEU A 91 -3.609 7.069 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.408 5.619 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.625 5.245 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.477 3.908 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.172 6.610 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.911 5.464 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.324 5.508 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.045 4.008 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.264 5.375 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.660 3.889 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.452 5.276 -6.974 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.387 4.287 -3.943 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.445 3.289 -3.730 1.00 0.00 C ATOM 1682 C PHE A 92 -7.851 3.591 -4.274 1.00 0.00 C ATOM 1683 O PHE A 92 -8.624 2.668 -4.540 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.459 2.781 -2.278 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.397 1.747 -1.945 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.564 0.413 -2.352 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.263 2.100 -1.195 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.604 -0.562 -2.024 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.318 1.126 -0.830 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.486 -0.207 -1.250 1.00 0.00 C ATOM 0 H PHE A 92 -5.079 4.742 -3.084 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.142 2.478 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.335 3.634 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.439 2.352 -2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.438 0.133 -2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.116 3.128 -0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.726 -1.579 -2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.464 1.400 -0.228 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.757 -0.956 -0.978 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.194 4.871 -4.448 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.508 5.312 -4.937 1.00 0.00 C ATOM 1702 C GLY A 93 -10.650 5.187 -3.915 1.00 0.00 C ATOM 1703 O GLY A 93 -11.821 5.232 -4.300 1.00 0.00 O ATOM 0 H GLY A 93 -7.558 5.644 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.433 6.353 -5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.765 4.730 -5.822 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.327 5.026 -2.626 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.278 4.869 -1.505 1.00 0.00 C ATOM 1709 C VAL A 94 -10.769 5.653 -0.283 1.00 0.00 C ATOM 1710 O VAL A 94 -9.558 5.837 -0.131 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.458 3.385 -1.100 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.352 2.648 -2.098 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.147 2.607 -0.936 1.00 0.00 C ATOM 0 H VAL A 94 -9.355 5.000 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.242 5.254 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.929 3.423 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.462 1.608 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.333 3.123 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.900 2.687 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.368 1.578 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.600 2.614 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.541 3.075 -0.161 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.669 6.099 0.618 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.296 6.781 1.861 1.00 0.00 C ATOM 1725 C PRO A 95 -10.657 5.847 2.903 1.00 0.00 C ATOM 1726 O PRO A 95 -9.894 6.310 3.753 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.606 7.380 2.387 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.673 6.417 1.867 1.00 0.00 C ATOM 1729 CD PRO A 95 -13.123 6.019 0.502 1.00 0.00 C ATOM 0 HA PRO A 95 -10.531 7.533 1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.613 7.437 3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.763 8.392 2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.795 5.555 2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.648 6.897 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.439 5.011 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.490 6.687 -0.277 1.00 0.00 H new ATOM 1737 N SER A 96 -10.955 4.545 2.855 1.00 0.00 N ATOM 1738 CA SER A 96 -10.440 3.526 3.780 1.00 0.00 C ATOM 1739 C SER A 96 -10.634 2.095 3.253 1.00 0.00 C ATOM 1740 O SER A 96 -11.442 1.863 2.347 1.00 0.00 O ATOM 1741 CB SER A 96 -11.120 3.660 5.154 1.00 0.00 C ATOM 1742 OG SER A 96 -12.525 3.468 5.060 1.00 0.00 O ATOM 0 H SER A 96 -11.581 4.157 2.149 1.00 0.00 H new ATOM 0 HA SER A 96 -9.368 3.701 3.873 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.697 2.929 5.843 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.913 4.647 5.569 1.00 0.00 H new ATOM 0 HG SER A 96 -12.928 3.558 5.949 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.914 1.128 3.832 1.00 0.00 N ATOM 1749 CA PHE A 97 -10.117 -0.312 3.604 1.00 0.00 C ATOM 1750 C PHE A 97 -9.622 -1.128 4.819 1.00 0.00 C ATOM 1751 O PHE A 97 -8.766 -0.669 5.581 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.385 -0.755 2.319 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.869 -0.663 2.369 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -7.140 -1.688 2.996 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -7.181 0.428 1.803 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.746 -1.602 3.109 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.776 0.498 1.893 1.00 0.00 C ATOM 1758 CZ PHE A 97 -5.058 -0.511 2.560 1.00 0.00 C ATOM 0 H PHE A 97 -9.157 1.326 4.487 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.184 -0.499 3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.663 -1.786 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.742 -0.145 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.658 -2.548 3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.730 1.211 1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.199 -2.380 3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.249 1.329 1.448 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.984 -0.446 2.649 1.00 0.00 H new ATOM 1768 N SER A 98 -10.125 -2.357 4.989 1.00 0.00 N ATOM 1769 CA SER A 98 -9.602 -3.331 5.966 1.00 0.00 C ATOM 1770 C SER A 98 -8.560 -4.266 5.342 1.00 0.00 C ATOM 1771 O SER A 98 -8.789 -4.854 4.283 1.00 0.00 O ATOM 1772 CB SER A 98 -10.736 -4.146 6.590 1.00 0.00 C ATOM 1773 OG SER A 98 -10.214 -5.051 7.553 1.00 0.00 O ATOM 0 H SER A 98 -10.915 -2.711 4.449 1.00 0.00 H new ATOM 0 HA SER A 98 -9.108 -2.758 6.751 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.458 -3.478 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.269 -4.696 5.814 1.00 0.00 H new ATOM 0 HG SER A 98 -10.089 -4.585 8.406 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.427 -4.440 6.025 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.333 -5.364 5.677 1.00 0.00 C ATOM 1781 C VAL A 99 -6.724 -6.849 5.768 1.00 0.00 C ATOM 1782 O VAL A 99 -6.078 -7.699 5.152 1.00 0.00 O ATOM 1783 CB VAL A 99 -5.035 -5.028 6.452 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.794 -5.690 5.842 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.702 -3.525 6.497 1.00 0.00 C ATOM 0 H VAL A 99 -7.233 -3.917 6.879 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.123 -5.203 4.620 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.251 -5.404 7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.914 -5.420 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.918 -6.773 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.667 -5.348 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.779 -3.373 7.057 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.576 -3.150 5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.515 -2.987 6.984 1.00 0.00 H new ATOM 1795 N LYS A 100 -7.825 -7.176 6.464 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.361 -8.547 6.553 1.00 0.00 C ATOM 1797 C LYS A 100 -8.809 -9.130 5.206 1.00 0.00 C ATOM 1798 O LYS A 100 -8.660 -10.331 4.984 1.00 0.00 O ATOM 1799 CB LYS A 100 -9.497 -8.602 7.589 1.00 0.00 C ATOM 1800 CG LYS A 100 -8.947 -8.480 9.018 1.00 0.00 C ATOM 1801 CD LYS A 100 -10.065 -8.461 10.067 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.447 -8.493 11.470 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.456 -8.233 12.528 1.00 0.00 N ATOM 0 H LYS A 100 -8.373 -6.492 6.985 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.537 -9.182 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.206 -7.797 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.044 -9.539 7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.275 -9.314 9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.356 -7.568 9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.676 -7.566 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.724 -9.318 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.985 -9.465 11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.654 -7.748 11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.109 -8.602 13.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.618 -7.209 12.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.349 -8.706 12.280 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.321 -8.303 4.290 1.00 0.00 N ATOM 1818 CA GLU A 101 -9.629 -8.704 2.914 1.00 0.00 C ATOM 1819 C GLU A 101 -8.443 -8.534 1.959 1.00 0.00 C ATOM 1820 O GLU A 101 -8.153 -7.447 1.455 1.00 0.00 O ATOM 1821 CB GLU A 101 -10.867 -7.960 2.415 1.00 0.00 C ATOM 1822 CG GLU A 101 -12.141 -8.644 2.917 1.00 0.00 C ATOM 1823 CD GLU A 101 -12.511 -9.928 2.141 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -11.724 -10.399 1.289 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -13.614 -10.486 2.359 1.00 0.00 O ATOM 0 H GLU A 101 -9.536 -7.325 4.485 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.842 -9.773 2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.842 -6.927 2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.867 -7.932 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.017 -8.892 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.970 -7.940 2.850 1.00 0.00 H new ATOM 1832 N HIS A 102 -7.777 -9.654 1.688 1.00 0.00 N ATOM 1833 CA HIS A 102 -6.566 -9.696 0.857 1.00 0.00 C ATOM 1834 C HIS A 102 -6.888 -9.379 -0.612 1.00 0.00 C ATOM 1835 O HIS A 102 -6.320 -8.463 -1.204 1.00 0.00 O ATOM 1836 CB HIS A 102 -5.876 -11.070 0.966 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.365 -11.498 2.325 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.613 -12.630 2.550 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -5.532 -10.886 3.543 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.336 -12.703 3.860 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -4.875 -11.657 4.512 1.00 0.00 N ATOM 0 H HIS A 102 -8.061 -10.568 2.040 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.884 -8.932 1.229 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.580 -11.827 0.620 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.034 -11.078 0.274 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -6.075 -9.970 3.723 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -3.762 -13.490 4.326 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.817 -11.464 5.512 1.00 0.00 H new ATOM 1849 N ARG A 103 -7.853 -10.107 -1.190 1.00 0.00 N ATOM 1850 CA ARG A 103 -8.313 -9.987 -2.589 1.00 0.00 C ATOM 1851 C ARG A 103 -8.799 -8.577 -2.951 1.00 0.00 C ATOM 1852 O ARG A 103 -8.540 -8.113 -4.061 1.00 0.00 O ATOM 1853 CB ARG A 103 -9.397 -11.056 -2.850 1.00 0.00 C ATOM 1854 CG ARG A 103 -10.631 -10.907 -1.936 1.00 0.00 C ATOM 1855 CD ARG A 103 -11.582 -12.107 -1.965 1.00 0.00 C ATOM 1856 NE ARG A 103 -12.539 -11.995 -0.848 1.00 0.00 N ATOM 1857 CZ ARG A 103 -13.734 -12.534 -0.721 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -14.243 -13.325 -1.622 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -14.442 -12.279 0.341 1.00 0.00 N ATOM 0 H ARG A 103 -8.359 -10.828 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 103 -7.459 -10.163 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -9.715 -10.995 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.964 -12.046 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.294 -10.750 -0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.182 -10.014 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.116 -12.140 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.017 -13.036 -1.884 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.232 -11.419 -0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.712 -13.547 -2.464 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -15.173 -13.722 -1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -14.070 -11.666 1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.368 -12.692 0.448 1.00 0.00 H new ATOM 1873 N LYS A 104 -9.431 -7.874 -2.001 1.00 0.00 N ATOM 1874 CA LYS A 104 -9.881 -6.480 -2.150 1.00 0.00 C ATOM 1875 C LYS A 104 -8.693 -5.530 -2.328 1.00 0.00 C ATOM 1876 O LYS A 104 -8.700 -4.699 -3.231 1.00 0.00 O ATOM 1877 CB LYS A 104 -10.755 -6.098 -0.943 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.378 -4.699 -1.079 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.276 -4.375 0.125 1.00 0.00 C ATOM 1880 CE LYS A 104 -12.847 -2.948 0.073 1.00 0.00 C ATOM 1881 NZ LYS A 104 -13.796 -2.749 -1.057 1.00 0.00 N ATOM 0 H LYS A 104 -9.649 -8.267 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.484 -6.388 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.550 -6.835 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.151 -6.136 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.588 -3.952 -1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.962 -4.645 -1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.098 -5.090 0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.703 -4.499 1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.356 -2.730 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.027 -2.236 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.150 -1.771 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.307 -2.929 -1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.595 -3.408 -0.960 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.640 -5.691 -1.525 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.398 -4.926 -1.690 1.00 0.00 C ATOM 1897 C ILE A 105 -5.702 -5.292 -2.999 1.00 0.00 C ATOM 1898 O ILE A 105 -5.359 -4.394 -3.763 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.475 -5.096 -0.469 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.099 -4.335 0.715 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.056 -4.571 -0.754 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.618 -4.862 2.063 1.00 0.00 C ATOM 0 H ILE A 105 -7.621 -6.350 -0.747 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.652 -3.868 -1.748 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.382 -6.156 -0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.853 -3.276 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.185 -4.415 0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.433 -4.708 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.625 -5.122 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.104 -3.511 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.087 -4.292 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.887 -5.914 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.535 -4.757 2.129 1.00 0.00 H new ATOM 1914 N TYR A 106 -5.551 -6.582 -3.307 1.00 0.00 N ATOM 1915 CA TYR A 106 -4.969 -7.021 -4.575 1.00 0.00 C ATOM 1916 C TYR A 106 -5.621 -6.498 -5.858 1.00 0.00 C ATOM 1917 O TYR A 106 -4.922 -5.990 -6.729 1.00 0.00 O ATOM 1918 CB TYR A 106 -4.730 -8.533 -4.607 1.00 0.00 C ATOM 1919 CG TYR A 106 -3.459 -8.988 -3.920 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -2.220 -8.811 -4.566 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -3.509 -9.612 -2.659 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -1.041 -9.309 -3.981 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -2.328 -10.084 -2.053 1.00 0.00 C ATOM 1924 CZ TYR A 106 -1.095 -9.966 -2.733 1.00 0.00 C ATOM 1925 OH TYR A 106 0.043 -10.490 -2.205 1.00 0.00 O ATOM 0 H TYR A 106 -5.827 -7.345 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.001 -6.520 -4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.579 -9.031 -4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.702 -8.861 -5.646 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.175 -8.292 -5.512 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.457 -9.729 -2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.095 -9.188 -4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.365 -10.534 -1.072 1.00 0.00 H new ATOM 0 HH TYR A 106 -0.150 -10.866 -1.321 1.00 0.00 H new ATOM 1935 N THR A 107 -6.953 -6.541 -5.959 1.00 0.00 N ATOM 1936 CA THR A 107 -7.672 -5.943 -7.099 1.00 0.00 C ATOM 1937 C THR A 107 -7.488 -4.429 -7.254 1.00 0.00 C ATOM 1938 O THR A 107 -7.250 -3.939 -8.360 1.00 0.00 O ATOM 1939 CB THR A 107 -9.140 -6.393 -7.163 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.626 -6.245 -8.477 1.00 0.00 O ATOM 1941 CG2 THR A 107 -10.082 -5.601 -6.263 1.00 0.00 C ATOM 0 H THR A 107 -7.559 -6.983 -5.268 1.00 0.00 H new ATOM 0 HA THR A 107 -7.184 -6.349 -7.985 1.00 0.00 H new ATOM 0 HB THR A 107 -9.131 -7.429 -6.823 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.562 -6.534 -8.514 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.096 -5.985 -6.371 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.764 -5.702 -5.225 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.060 -4.549 -6.549 1.00 0.00 H new ATOM 1949 N MET A 108 -7.495 -3.682 -6.138 1.00 0.00 N ATOM 1950 CA MET A 108 -7.203 -2.244 -6.142 1.00 0.00 C ATOM 1951 C MET A 108 -5.740 -1.952 -6.503 1.00 0.00 C ATOM 1952 O MET A 108 -5.458 -1.087 -7.332 1.00 0.00 O ATOM 1953 CB MET A 108 -7.518 -1.617 -4.777 1.00 0.00 C ATOM 1954 CG MET A 108 -9.015 -1.604 -4.438 1.00 0.00 C ATOM 1955 SD MET A 108 -9.458 -0.666 -2.940 1.00 0.00 S ATOM 1956 CE MET A 108 -8.587 -1.589 -1.640 1.00 0.00 C ATOM 0 H MET A 108 -7.703 -4.058 -5.213 1.00 0.00 H new ATOM 0 HA MET A 108 -7.841 -1.801 -6.906 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.983 -2.166 -4.002 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.141 -0.594 -4.761 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.560 -1.186 -5.284 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.354 -2.633 -4.317 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.872 -1.198 -0.663 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.855 -2.644 -1.701 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.511 -1.479 -1.775 1.00 0.00 H new ATOM 1966 N MET A 109 -4.797 -2.681 -5.905 1.00 0.00 N ATOM 1967 CA MET A 109 -3.362 -2.428 -6.047 1.00 0.00 C ATOM 1968 C MET A 109 -2.808 -2.954 -7.382 1.00 0.00 C ATOM 1969 O MET A 109 -1.833 -2.407 -7.893 1.00 0.00 O ATOM 1970 CB MET A 109 -2.630 -2.914 -4.787 1.00 0.00 C ATOM 1971 CG MET A 109 -2.252 -4.394 -4.719 1.00 0.00 C ATOM 1972 SD MET A 109 -0.561 -4.787 -5.238 1.00 0.00 S ATOM 1973 CE MET A 109 0.385 -3.832 -4.020 1.00 0.00 C ATOM 0 H MET A 109 -5.011 -3.474 -5.300 1.00 0.00 H new ATOM 0 HA MET A 109 -3.177 -1.356 -6.111 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.717 -2.328 -4.681 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.257 -2.687 -3.925 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.390 -4.740 -3.695 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.946 -4.958 -5.342 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.372 -4.278 -3.895 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.493 -2.805 -4.368 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.140 -3.839 -3.065 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.486 -3.904 -8.037 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.183 -4.298 -9.415 1.00 0.00 C ATOM 1985 C ALA A 110 -3.483 -3.165 -10.422 1.00 0.00 C ATOM 1986 O ALA A 110 -2.853 -3.091 -11.476 1.00 0.00 O ATOM 1987 CB ALA A 110 -3.975 -5.570 -9.740 1.00 0.00 C ATOM 0 H ALA A 110 -4.262 -4.421 -7.624 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.115 -4.499 -9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.762 -5.879 -10.763 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.685 -6.365 -9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.042 -5.371 -9.635 1.00 0.00 H new ATOM 1993 N SER A 111 -4.392 -2.234 -10.101 1.00 0.00 N ATOM 1994 CA SER A 111 -4.627 -1.013 -10.899 1.00 0.00 C ATOM 1995 C SER A 111 -3.450 -0.016 -10.804 1.00 0.00 C ATOM 1996 O SER A 111 -3.292 0.864 -11.651 1.00 0.00 O ATOM 1997 CB SER A 111 -5.937 -0.355 -10.446 1.00 0.00 C ATOM 1998 OG SER A 111 -6.366 0.621 -11.381 1.00 0.00 O ATOM 0 H SER A 111 -4.990 -2.303 -9.278 1.00 0.00 H new ATOM 0 HA SER A 111 -4.705 -1.302 -11.947 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.709 -1.116 -10.329 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.796 0.109 -9.470 1.00 0.00 H new ATOM 0 HG SER A 111 -7.203 1.025 -11.071 1.00 0.00 H new ATOM 2004 N MET A 112 -2.567 -0.183 -9.809 1.00 0.00 N ATOM 2005 CA MET A 112 -1.301 0.556 -9.667 1.00 0.00 C ATOM 2006 C MET A 112 -0.152 -0.052 -10.495 1.00 0.00 C ATOM 2007 O MET A 112 0.980 0.428 -10.422 1.00 0.00 O ATOM 2008 CB MET A 112 -0.901 0.682 -8.190 1.00 0.00 C ATOM 2009 CG MET A 112 -2.042 1.127 -7.273 1.00 0.00 C ATOM 2010 SD MET A 112 -1.617 1.112 -5.514 1.00 0.00 S ATOM 2011 CE MET A 112 -3.289 1.338 -4.864 1.00 0.00 C ATOM 0 H MET A 112 -2.717 -0.856 -9.057 1.00 0.00 H new ATOM 0 HA MET A 112 -1.480 1.553 -10.069 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.524 -0.280 -7.843 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.081 1.395 -8.106 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.349 2.134 -7.554 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.901 0.475 -7.435 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.240 1.855 -3.906 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.876 1.930 -5.566 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.761 0.365 -4.727 1.00 0.00 H new ATOM 2021 N THR A 113 -0.435 -1.091 -11.287 1.00 0.00 N ATOM 2022 CA THR A 113 0.506 -1.779 -12.190 1.00 0.00 C ATOM 2023 C THR A 113 -0.015 -1.983 -13.620 1.00 0.00 C ATOM 2024 O THR A 113 0.728 -1.811 -14.589 1.00 0.00 O ATOM 2025 CB THR A 113 1.082 -3.067 -11.571 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.245 -4.167 -11.851 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.261 -3.030 -10.050 1.00 0.00 C ATOM 0 H THR A 113 -1.370 -1.498 -11.321 1.00 0.00 H new ATOM 0 HA THR A 113 1.339 -1.086 -12.304 1.00 0.00 H new ATOM 0 HB THR A 113 2.068 -3.160 -12.026 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.692 -3.899 -11.752 1.00 0.00 H new ATOM 0 HG21 THR A 113 1.671 -3.980 -9.709 1.00 0.00 H new ATOM 0 HG22 THR A 113 1.944 -2.223 -9.784 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.295 -2.860 -9.574 1.00 0.00 H new