USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1004 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 66 LYS NZ :NH3+ 153:sc= 1.43 (180deg=0.199) USER MOD Set 1.2: A 101 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0.364 USER MOD Single : A 13 SER OG : rot -62:sc= 1.27 USER MOD Single : A 15 MET CE :methyl -158:sc= -3.41 (180deg=-6.82!) USER MOD Single : A 20 THR OG1 : rot -76:sc= 1.08 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.01) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.0191 (180deg=-0.238) USER MOD Single : A 36 CYS SG : rot -35:sc= 0.933 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 98:sc= 1.2 USER MOD Single : A 43 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.2) USER MOD Single : A 51 SER OG : rot -33:sc= 0.537 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.166 K(o=0.17,f=-3.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 67 GLN : amide:sc= -0.0685 K(o=-0.069,f=-0.78) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= 1.73 (180deg=0.645) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 30:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= -0.0572 (180deg=-0.448) USER MOD Single : A 80 SER OG : rot 65:sc= 0.276 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 169:sc= -1.18 (180deg=-1.39) USER MOD Single : A 89 GLN : amide:sc= 1.19 K(o=1.2,f=-8!) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.178 F(o=-0.86,f=-0.18) USER MOD Single : A 92 SER OG : rot -175:sc= 0.471 USER MOD Single : A 97 ASN : amide:sc= -0.0682 K(o=-0.068,f=-1.5!) USER MOD Single : A 100 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.008) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.31) USER MOD Single : A 115 LYS NZ :NH3+ -166:sc=-0.00484 (180deg=-0.134) USER MOD Single : A 120 THR OG1 : rot 124:sc= 1.27 USER MOD Single : A 122 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.001) USER MOD Single : A 124 THR OG1 : rot 73:sc= 0.566 USER MOD Single : A 126 SER OG : rot 79:sc= 0.0102 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 10 9.080 14.883 3.859 1.00 0.00 N ATOM 93 CA TYR A 10 7.620 14.929 3.763 1.00 0.00 C ATOM 94 C TYR A 10 7.126 14.571 2.354 1.00 0.00 C ATOM 95 O TYR A 10 6.090 13.926 2.189 1.00 0.00 O ATOM 96 CB TYR A 10 7.199 16.352 4.156 1.00 0.00 C ATOM 97 CG TYR A 10 5.874 16.850 3.621 1.00 0.00 C ATOM 98 CD1 TYR A 10 5.837 17.467 2.359 1.00 0.00 C ATOM 99 CD2 TYR A 10 4.702 16.746 4.390 1.00 0.00 C ATOM 100 CE1 TYR A 10 4.631 17.978 1.865 1.00 0.00 C ATOM 101 CE2 TYR A 10 3.493 17.280 3.914 1.00 0.00 C ATOM 102 CZ TYR A 10 3.462 17.914 2.655 1.00 0.00 C ATOM 103 OH TYR A 10 2.309 18.454 2.186 1.00 0.00 O ATOM 0 HA TYR A 10 7.172 14.190 4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.167 16.407 5.244 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.978 17.039 3.825 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.739 17.547 1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.731 16.254 5.351 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.595 18.421 0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.594 17.205 4.508 1.00 0.00 H new ATOM 0 HH TYR A 10 1.596 18.327 2.846 1.00 0.00 H new ATOM 113 N TRP A 11 7.876 14.956 1.313 1.00 0.00 N ATOM 114 CA TRP A 11 7.490 14.674 -0.062 1.00 0.00 C ATOM 115 C TRP A 11 7.366 13.173 -0.367 1.00 0.00 C ATOM 116 O TRP A 11 6.631 12.823 -1.289 1.00 0.00 O ATOM 117 CB TRP A 11 8.391 15.412 -1.058 1.00 0.00 C ATOM 118 CG TRP A 11 7.616 16.052 -2.170 1.00 0.00 C ATOM 119 CD1 TRP A 11 7.158 17.322 -2.162 1.00 0.00 C ATOM 120 CD2 TRP A 11 7.112 15.458 -3.404 1.00 0.00 C ATOM 121 NE1 TRP A 11 6.432 17.566 -3.309 1.00 0.00 N ATOM 122 CE2 TRP A 11 6.358 16.444 -4.108 1.00 0.00 C ATOM 123 CE3 TRP A 11 7.197 14.179 -3.993 1.00 0.00 C ATOM 124 CZ2 TRP A 11 5.730 16.169 -5.333 1.00 0.00 C ATOM 125 CZ3 TRP A 11 6.539 13.883 -5.200 1.00 0.00 C ATOM 126 CH2 TRP A 11 5.798 14.872 -5.865 1.00 0.00 C ATOM 0 H TRP A 11 8.755 15.465 1.405 1.00 0.00 H new ATOM 0 HA TRP A 11 6.481 15.068 -0.188 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.961 16.177 -0.530 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.112 14.711 -1.479 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.334 18.040 -1.375 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.004 18.463 -3.538 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.780 13.411 -3.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.200 16.948 -5.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.604 12.889 -5.618 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.282 14.636 -6.784 1.00 0.00 H new ATOM 137 N ARG A 12 7.976 12.270 0.417 1.00 0.00 N ATOM 138 CA ARG A 12 7.698 10.840 0.262 1.00 0.00 C ATOM 139 C ARG A 12 6.207 10.554 0.438 1.00 0.00 C ATOM 140 O ARG A 12 5.703 9.657 -0.233 1.00 0.00 O ATOM 141 CB ARG A 12 8.557 9.962 1.202 1.00 0.00 C ATOM 142 CG ARG A 12 9.762 9.311 0.507 1.00 0.00 C ATOM 143 CD ARG A 12 10.943 10.252 0.256 1.00 0.00 C ATOM 144 NE ARG A 12 11.731 10.497 1.479 1.00 0.00 N ATOM 145 CZ ARG A 12 13.040 10.772 1.540 1.00 0.00 C ATOM 146 NH1 ARG A 12 13.784 10.832 0.442 1.00 0.00 N ATOM 147 NH2 ARG A 12 13.579 10.974 2.731 1.00 0.00 N ATOM 0 H ARG A 12 8.649 12.500 1.148 1.00 0.00 H new ATOM 0 HA ARG A 12 7.981 10.568 -0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.913 10.573 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.929 9.180 1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.105 8.474 1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.434 8.899 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.589 9.825 -0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.573 11.201 -0.132 1.00 0.00 H new ATOM 0 HE ARG A 12 11.229 10.452 2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.360 10.667 -0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.779 11.043 0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.000 10.918 3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.574 11.186 2.811 1.00 0.00 H new ATOM 161 N SER A 13 5.476 11.286 1.291 1.00 0.00 N ATOM 162 CA SER A 13 4.039 11.086 1.416 1.00 0.00 C ATOM 163 C SER A 13 3.377 11.566 0.139 1.00 0.00 C ATOM 164 O SER A 13 2.493 10.902 -0.372 1.00 0.00 O ATOM 165 CB SER A 13 3.481 11.821 2.639 1.00 0.00 C ATOM 166 OG SER A 13 2.241 11.271 3.062 1.00 0.00 O ATOM 0 H SER A 13 5.858 12.013 1.896 1.00 0.00 H new ATOM 0 HA SER A 13 3.828 10.027 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.201 11.767 3.456 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.349 12.876 2.400 1.00 0.00 H new ATOM 0 HG SER A 13 1.579 11.367 2.346 1.00 0.00 H new ATOM 172 N ARG A 14 3.815 12.692 -0.428 1.00 0.00 N ATOM 173 CA ARG A 14 3.192 13.294 -1.606 1.00 0.00 C ATOM 174 C ARG A 14 3.305 12.450 -2.869 1.00 0.00 C ATOM 175 O ARG A 14 2.601 12.735 -3.835 1.00 0.00 O ATOM 176 CB ARG A 14 3.786 14.679 -1.849 1.00 0.00 C ATOM 177 CG ARG A 14 3.695 15.610 -0.629 1.00 0.00 C ATOM 178 CD ARG A 14 2.297 15.659 0.001 1.00 0.00 C ATOM 179 NE ARG A 14 1.283 16.167 -0.941 1.00 0.00 N ATOM 180 CZ ARG A 14 0.298 17.030 -0.684 1.00 0.00 C ATOM 181 NH1 ARG A 14 0.169 17.607 0.505 1.00 0.00 N ATOM 182 NH2 ARG A 14 -0.563 17.332 -1.642 1.00 0.00 N ATOM 0 H ARG A 14 4.618 13.215 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 14 2.127 13.364 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.832 14.571 -2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.271 15.144 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.412 15.281 0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.986 16.617 -0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.014 14.660 0.334 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.320 16.295 0.886 1.00 0.00 H new ATOM 0 HE ARG A 14 1.341 15.819 -1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.833 17.394 1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.594 18.263 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.470 16.907 -2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.320 17.990 -1.458 1.00 0.00 H new ATOM 196 N MET A 15 4.130 11.410 -2.863 1.00 0.00 N ATOM 197 CA MET A 15 4.071 10.349 -3.853 1.00 0.00 C ATOM 198 C MET A 15 2.807 9.513 -3.614 1.00 0.00 C ATOM 199 O MET A 15 2.025 9.256 -4.529 1.00 0.00 O ATOM 200 CB MET A 15 5.294 9.443 -3.689 1.00 0.00 C ATOM 201 CG MET A 15 6.658 10.122 -3.823 1.00 0.00 C ATOM 202 SD MET A 15 7.360 10.178 -5.486 1.00 0.00 S ATOM 203 CE MET A 15 7.482 8.408 -5.842 1.00 0.00 C ATOM 0 H MET A 15 4.863 11.281 -2.165 1.00 0.00 H new ATOM 0 HA MET A 15 4.054 10.780 -4.854 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.241 8.970 -2.708 1.00 0.00 H new ATOM 0 HB3 MET A 15 5.233 8.647 -4.431 1.00 0.00 H new ATOM 0 HG2 MET A 15 6.570 11.144 -3.454 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.363 9.607 -3.171 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.226 8.244 -6.622 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.779 7.875 -4.939 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.514 8.037 -6.180 1.00 0.00 H new ATOM 213 N ILE A 16 2.660 9.022 -2.381 1.00 0.00 N ATOM 214 CA ILE A 16 1.635 8.083 -1.942 1.00 0.00 C ATOM 215 C ILE A 16 0.259 8.764 -2.024 1.00 0.00 C ATOM 216 O ILE A 16 -0.668 8.232 -2.636 1.00 0.00 O ATOM 217 CB ILE A 16 1.970 7.555 -0.517 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.401 6.974 -0.336 1.00 0.00 C ATOM 219 CG2 ILE A 16 0.955 6.477 -0.091 1.00 0.00 C ATOM 220 CD1 ILE A 16 3.811 5.961 -1.400 1.00 0.00 C ATOM 0 H ILE A 16 3.290 9.286 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 16 1.608 7.212 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 16 1.914 8.442 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.117 7.796 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.466 6.500 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.203 6.118 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.048 6.904 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.991 5.645 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.822 5.608 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.122 5.117 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.783 6.433 -2.382 1.00 0.00 H new ATOM 232 N ASP A 17 0.125 9.958 -1.449 1.00 0.00 N ATOM 233 CA ASP A 17 -1.073 10.801 -1.442 1.00 0.00 C ATOM 234 C ASP A 17 -1.546 11.078 -2.873 1.00 0.00 C ATOM 235 O ASP A 17 -2.745 11.127 -3.155 1.00 0.00 O ATOM 236 CB ASP A 17 -0.763 12.127 -0.724 1.00 0.00 C ATOM 237 CG ASP A 17 -0.701 12.001 0.797 1.00 0.00 C ATOM 238 OD1 ASP A 17 0.293 11.479 1.350 1.00 0.00 O ATOM 239 OD2 ASP A 17 -1.673 12.398 1.476 1.00 0.00 O ATOM 0 H ASP A 17 0.898 10.391 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.869 10.278 -0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.190 12.513 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.525 12.860 -0.988 1.00 0.00 H new ATOM 244 N ALA A 18 -0.609 11.221 -3.814 1.00 0.00 N ATOM 245 CA ALA A 18 -0.909 11.500 -5.210 1.00 0.00 C ATOM 246 C ALA A 18 -1.453 10.305 -5.989 1.00 0.00 C ATOM 247 O ALA A 18 -2.046 10.504 -7.051 1.00 0.00 O ATOM 248 CB ALA A 18 0.349 12.033 -5.872 1.00 0.00 C ATOM 0 H ALA A 18 0.389 11.144 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.712 12.237 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.145 12.249 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.666 12.946 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.141 11.287 -5.802 1.00 0.00 H new ATOM 254 N VAL A 19 -1.306 9.087 -5.466 1.00 0.00 N ATOM 255 CA VAL A 19 -1.941 7.891 -6.011 1.00 0.00 C ATOM 256 C VAL A 19 -3.108 7.434 -5.122 1.00 0.00 C ATOM 257 O VAL A 19 -3.718 6.396 -5.383 1.00 0.00 O ATOM 258 CB VAL A 19 -0.886 6.803 -6.300 1.00 0.00 C ATOM 259 CG1 VAL A 19 0.133 7.307 -7.328 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.101 6.304 -5.079 1.00 0.00 C ATOM 0 H VAL A 19 -0.735 8.903 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.394 8.122 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.471 5.961 -6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.871 6.528 -7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.380 7.559 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.635 8.193 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.613 5.542 -5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.434 7.138 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.792 5.877 -4.352 1.00 0.00 H new ATOM 270 N THR A 20 -3.457 8.195 -4.076 1.00 0.00 N ATOM 271 CA THR A 20 -4.514 7.852 -3.130 1.00 0.00 C ATOM 272 C THR A 20 -5.516 9.012 -2.969 1.00 0.00 C ATOM 273 O THR A 20 -6.130 9.147 -1.913 1.00 0.00 O ATOM 274 CB THR A 20 -3.915 7.287 -1.819 1.00 0.00 C ATOM 275 OG1 THR A 20 -2.939 8.125 -1.247 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.240 5.926 -2.034 1.00 0.00 C ATOM 0 H THR A 20 -3.000 9.082 -3.864 1.00 0.00 H new ATOM 0 HA THR A 20 -5.118 7.036 -3.527 1.00 0.00 H new ATOM 0 HB THR A 20 -4.773 7.203 -1.152 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.102 8.044 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.834 5.568 -1.088 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.973 5.211 -2.408 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.433 6.031 -2.759 1.00 0.00 H new ATOM 284 N SER A 21 -5.728 9.826 -4.016 1.00 0.00 N ATOM 285 CA SER A 21 -6.688 10.933 -4.004 1.00 0.00 C ATOM 286 C SER A 21 -8.077 10.396 -3.639 1.00 0.00 C ATOM 287 O SER A 21 -8.469 9.337 -4.142 1.00 0.00 O ATOM 288 CB SER A 21 -6.752 11.599 -5.389 1.00 0.00 C ATOM 289 OG SER A 21 -5.471 11.748 -5.982 1.00 0.00 O ATOM 0 H SER A 21 -5.231 9.730 -4.902 1.00 0.00 H new ATOM 0 HA SER A 21 -6.367 11.671 -3.269 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.385 11.003 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.222 12.578 -5.296 1.00 0.00 H new ATOM 0 HG SER A 21 -5.564 12.174 -6.860 1.00 0.00 H new ATOM 295 N ASP A 22 -8.818 11.073 -2.769 1.00 0.00 N ATOM 296 CA ASP A 22 -10.187 10.728 -2.384 1.00 0.00 C ATOM 297 C ASP A 22 -11.135 11.013 -3.562 1.00 0.00 C ATOM 298 O ASP A 22 -11.603 12.138 -3.750 1.00 0.00 O ATOM 299 CB ASP A 22 -10.596 11.483 -1.112 1.00 0.00 C ATOM 300 CG ASP A 22 -10.592 13.006 -1.231 1.00 0.00 C ATOM 301 OD1 ASP A 22 -9.532 13.581 -1.572 1.00 0.00 O ATOM 302 OD2 ASP A 22 -11.607 13.629 -0.833 1.00 0.00 O ATOM 0 H ASP A 22 -8.472 11.907 -2.294 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.249 9.665 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.596 11.160 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.922 11.196 -0.305 1.00 0.00 H new ATOM 307 N GLU A 23 -11.378 10.020 -4.417 1.00 0.00 N ATOM 308 CA GLU A 23 -12.250 10.120 -5.584 1.00 0.00 C ATOM 309 C GLU A 23 -12.668 8.721 -6.032 1.00 0.00 C ATOM 310 O GLU A 23 -11.922 7.762 -5.822 1.00 0.00 O ATOM 311 CB GLU A 23 -11.556 10.894 -6.709 1.00 0.00 C ATOM 312 CG GLU A 23 -10.379 10.110 -7.256 1.00 0.00 C ATOM 313 CD GLU A 23 -9.550 10.836 -8.305 1.00 0.00 C ATOM 314 OE1 GLU A 23 -10.102 11.619 -9.109 1.00 0.00 O ATOM 315 OE2 GLU A 23 -8.334 10.550 -8.353 1.00 0.00 O ATOM 0 H GLU A 23 -10.960 9.096 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.150 10.675 -5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.267 11.097 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.214 11.859 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.727 9.837 -6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.751 9.181 -7.688 1.00 0.00 H new ATOM 322 N ASP A 24 -13.781 8.613 -6.761 1.00 0.00 N ATOM 323 CA ASP A 24 -14.256 7.347 -7.314 1.00 0.00 C ATOM 324 C ASP A 24 -13.250 6.699 -8.264 1.00 0.00 C ATOM 325 O ASP A 24 -13.308 5.485 -8.472 1.00 0.00 O ATOM 326 CB ASP A 24 -15.579 7.535 -8.077 1.00 0.00 C ATOM 327 CG ASP A 24 -15.377 8.159 -9.454 1.00 0.00 C ATOM 328 OD1 ASP A 24 -15.063 9.366 -9.489 1.00 0.00 O ATOM 329 OD2 ASP A 24 -15.524 7.447 -10.479 1.00 0.00 O ATOM 0 H ASP A 24 -14.380 9.408 -6.984 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.400 6.691 -6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.071 6.569 -8.188 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.246 8.166 -7.490 1.00 0.00 H new ATOM 334 N LYS A 25 -12.374 7.499 -8.875 1.00 0.00 N ATOM 335 CA LYS A 25 -11.471 7.104 -9.940 1.00 0.00 C ATOM 336 C LYS A 25 -10.209 6.465 -9.390 1.00 0.00 C ATOM 337 O LYS A 25 -9.411 7.114 -8.713 1.00 0.00 O ATOM 338 CB LYS A 25 -11.102 8.336 -10.753 1.00 0.00 C ATOM 339 CG LYS A 25 -10.415 7.989 -12.078 1.00 0.00 C ATOM 340 CD LYS A 25 -9.164 8.826 -12.362 1.00 0.00 C ATOM 341 CE LYS A 25 -9.437 10.331 -12.376 1.00 0.00 C ATOM 342 NZ LYS A 25 -10.422 10.721 -13.407 1.00 0.00 N ATOM 0 H LYS A 25 -12.276 8.483 -8.624 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.974 6.367 -10.566 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.003 8.915 -10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.442 8.971 -10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.141 6.934 -12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.126 8.127 -12.893 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.409 8.607 -11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.747 8.530 -13.325 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.801 10.640 -11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.503 10.864 -12.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.545 11.754 -13.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.081 10.422 -14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.334 10.262 -13.208 1.00 0.00 H new ATOM 356 N VAL A 26 -9.986 5.212 -9.744 1.00 0.00 N ATOM 357 CA VAL A 26 -8.711 4.530 -9.527 1.00 0.00 C ATOM 358 C VAL A 26 -7.609 5.282 -10.281 1.00 0.00 C ATOM 359 O VAL A 26 -7.833 5.775 -11.390 1.00 0.00 O ATOM 360 CB VAL A 26 -8.775 3.041 -9.923 1.00 0.00 C ATOM 361 CG1 VAL A 26 -9.627 2.265 -8.911 1.00 0.00 C ATOM 362 CG2 VAL A 26 -9.290 2.796 -11.349 1.00 0.00 C ATOM 0 H VAL A 26 -10.690 4.628 -10.196 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.480 4.540 -8.462 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.747 2.678 -9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.667 1.214 -9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.184 2.353 -7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.637 2.675 -8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.305 1.725 -11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.298 3.198 -11.446 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.632 3.291 -12.063 1.00 0.00 H new ATOM 372 N ALA A 27 -6.441 5.408 -9.650 1.00 0.00 N ATOM 373 CA ALA A 27 -5.262 6.044 -10.226 1.00 0.00 C ATOM 374 C ALA A 27 -4.561 5.070 -11.193 1.00 0.00 C ATOM 375 O ALA A 27 -4.788 3.857 -11.095 1.00 0.00 O ATOM 376 CB ALA A 27 -4.348 6.455 -9.067 1.00 0.00 C ATOM 0 H ALA A 27 -6.288 5.062 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.530 6.928 -10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.453 6.936 -9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.877 7.151 -8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.063 5.571 -8.497 1.00 0.00 H new ATOM 382 N PRO A 28 -3.723 5.551 -12.127 1.00 0.00 N ATOM 383 CA PRO A 28 -3.138 4.704 -13.167 1.00 0.00 C ATOM 384 C PRO A 28 -1.962 3.879 -12.648 1.00 0.00 C ATOM 385 O PRO A 28 -1.278 4.281 -11.703 1.00 0.00 O ATOM 386 CB PRO A 28 -2.619 5.674 -14.222 1.00 0.00 C ATOM 387 CG PRO A 28 -2.267 6.899 -13.391 1.00 0.00 C ATOM 388 CD PRO A 28 -3.356 6.945 -12.344 1.00 0.00 C ATOM 0 HA PRO A 28 -3.880 3.999 -13.541 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.751 5.276 -14.748 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.374 5.897 -14.976 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.280 6.806 -12.938 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.256 7.805 -13.997 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.001 7.408 -11.424 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.210 7.530 -12.686 1.00 0.00 H new ATOM 396 N VAL A 29 -1.641 2.774 -13.325 1.00 0.00 N ATOM 397 CA VAL A 29 -0.491 1.953 -12.953 1.00 0.00 C ATOM 398 C VAL A 29 0.809 2.757 -13.048 1.00 0.00 C ATOM 399 O VAL A 29 1.632 2.657 -12.142 1.00 0.00 O ATOM 400 CB VAL A 29 -0.404 0.667 -13.798 1.00 0.00 C ATOM 401 CG1 VAL A 29 0.692 -0.235 -13.214 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.732 -0.108 -13.813 1.00 0.00 C ATOM 0 H VAL A 29 -2.161 2.429 -14.132 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.633 1.650 -11.916 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.174 0.954 -14.824 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.763 -1.149 -13.804 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.647 0.289 -13.240 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.445 -0.487 -12.183 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.622 -1.006 -14.421 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.001 -0.389 -12.795 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.516 0.521 -14.234 1.00 0.00 H new ATOM 412 N TYR A 30 0.991 3.577 -14.088 1.00 0.00 N ATOM 413 CA TYR A 30 2.275 4.239 -14.311 1.00 0.00 C ATOM 414 C TYR A 30 2.645 5.240 -13.206 1.00 0.00 C ATOM 415 O TYR A 30 3.811 5.619 -13.087 1.00 0.00 O ATOM 416 CB TYR A 30 2.303 4.919 -15.681 1.00 0.00 C ATOM 417 CG TYR A 30 1.371 6.108 -15.821 1.00 0.00 C ATOM 418 CD1 TYR A 30 1.747 7.355 -15.291 1.00 0.00 C ATOM 419 CD2 TYR A 30 0.120 5.971 -16.447 1.00 0.00 C ATOM 420 CE1 TYR A 30 0.877 8.450 -15.356 1.00 0.00 C ATOM 421 CE2 TYR A 30 -0.754 7.065 -16.529 1.00 0.00 C ATOM 422 CZ TYR A 30 -0.384 8.305 -15.968 1.00 0.00 C ATOM 423 OH TYR A 30 -1.254 9.345 -15.978 1.00 0.00 O ATOM 0 H TYR A 30 0.274 3.795 -14.780 1.00 0.00 H new ATOM 0 HA TYR A 30 3.031 3.454 -14.282 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.322 5.248 -15.887 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.046 4.182 -16.442 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.717 7.469 -14.829 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.170 5.019 -16.867 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.171 9.402 -14.939 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.709 6.958 -17.021 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.076 9.079 -16.440 1.00 0.00 H new ATOM 433 N LYS A 31 1.679 5.687 -12.394 1.00 0.00 N ATOM 434 CA LYS A 31 1.992 6.488 -11.217 1.00 0.00 C ATOM 435 C LYS A 31 2.294 5.602 -10.011 1.00 0.00 C ATOM 436 O LYS A 31 2.979 6.045 -9.101 1.00 0.00 O ATOM 437 CB LYS A 31 0.857 7.453 -10.879 1.00 0.00 C ATOM 438 CG LYS A 31 0.659 8.527 -11.946 1.00 0.00 C ATOM 439 CD LYS A 31 -0.176 9.675 -11.386 1.00 0.00 C ATOM 440 CE LYS A 31 -0.175 10.846 -12.369 1.00 0.00 C ATOM 441 NZ LYS A 31 1.146 11.506 -12.463 1.00 0.00 N ATOM 0 H LYS A 31 0.685 5.507 -12.533 1.00 0.00 H new ATOM 0 HA LYS A 31 2.881 7.071 -11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.069 6.891 -10.759 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.065 7.931 -9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.627 8.901 -12.281 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.164 8.098 -12.817 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.198 9.340 -11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.227 9.995 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.470 10.488 -13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.922 11.577 -12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.038 12.436 -12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.541 11.630 -11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.789 10.917 -13.030 1.00 0.00 H new ATOM 455 N LEU A 32 1.752 4.380 -9.942 1.00 0.00 N ATOM 456 CA LEU A 32 2.065 3.448 -8.860 1.00 0.00 C ATOM 457 C LEU A 32 3.507 2.975 -9.008 1.00 0.00 C ATOM 458 O LEU A 32 4.209 2.854 -8.004 1.00 0.00 O ATOM 459 CB LEU A 32 1.128 2.220 -8.839 1.00 0.00 C ATOM 460 CG LEU A 32 -0.375 2.509 -8.727 1.00 0.00 C ATOM 461 CD1 LEU A 32 -1.211 1.233 -8.847 1.00 0.00 C ATOM 462 CD2 LEU A 32 -0.729 3.183 -7.401 1.00 0.00 C ATOM 0 H LEU A 32 1.091 4.015 -10.628 1.00 0.00 H new ATOM 0 HA LEU A 32 1.922 3.982 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.298 1.645 -9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.417 1.584 -8.002 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.608 3.180 -9.554 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.269 1.482 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.024 0.765 -9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.936 0.542 -8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.802 3.370 -7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.444 2.532 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.193 4.129 -7.319 1.00 0.00 H new ATOM 474 N GLU A 33 3.951 2.679 -10.235 1.00 0.00 N ATOM 475 CA GLU A 33 5.296 2.153 -10.450 1.00 0.00 C ATOM 476 C GLU A 33 6.373 3.195 -10.136 1.00 0.00 C ATOM 477 O GLU A 33 7.486 2.821 -9.774 1.00 0.00 O ATOM 478 CB GLU A 33 5.468 1.546 -11.848 1.00 0.00 C ATOM 479 CG GLU A 33 5.391 2.545 -13.002 1.00 0.00 C ATOM 480 CD GLU A 33 5.432 1.880 -14.387 1.00 0.00 C ATOM 481 OE1 GLU A 33 5.449 0.631 -14.498 1.00 0.00 O ATOM 482 OE2 GLU A 33 5.456 2.630 -15.392 1.00 0.00 O ATOM 0 H GLU A 33 3.400 2.795 -11.086 1.00 0.00 H new ATOM 0 HA GLU A 33 5.430 1.336 -9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.432 1.039 -11.891 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.701 0.786 -11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.472 3.123 -12.912 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.219 3.249 -12.920 1.00 0.00 H new ATOM 489 N GLU A 34 6.040 4.488 -10.194 1.00 0.00 N ATOM 490 CA GLU A 34 6.950 5.556 -9.756 1.00 0.00 C ATOM 491 C GLU A 34 7.382 5.318 -8.293 1.00 0.00 C ATOM 492 O GLU A 34 8.563 5.429 -7.961 1.00 0.00 O ATOM 493 CB GLU A 34 6.330 6.951 -10.013 1.00 0.00 C ATOM 494 CG GLU A 34 7.064 8.061 -9.239 1.00 0.00 C ATOM 495 CD GLU A 34 6.770 9.505 -9.665 1.00 0.00 C ATOM 496 OE1 GLU A 34 5.591 9.886 -9.837 1.00 0.00 O ATOM 497 OE2 GLU A 34 7.724 10.321 -9.732 1.00 0.00 O ATOM 0 H GLU A 34 5.142 4.824 -10.542 1.00 0.00 H new ATOM 0 HA GLU A 34 7.862 5.531 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.363 7.171 -11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.280 6.940 -9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.816 7.960 -8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.136 7.890 -9.333 1.00 0.00 H new ATOM 504 N ILE A 35 6.448 4.944 -7.412 1.00 0.00 N ATOM 505 CA ILE A 35 6.742 4.728 -5.998 1.00 0.00 C ATOM 506 C ILE A 35 7.688 3.536 -5.836 1.00 0.00 C ATOM 507 O ILE A 35 8.652 3.622 -5.068 1.00 0.00 O ATOM 508 CB ILE A 35 5.429 4.553 -5.192 1.00 0.00 C ATOM 509 CG1 ILE A 35 4.703 5.893 -4.981 1.00 0.00 C ATOM 510 CG2 ILE A 35 5.701 3.971 -3.789 1.00 0.00 C ATOM 511 CD1 ILE A 35 4.032 6.543 -6.190 1.00 0.00 C ATOM 0 H ILE A 35 5.472 4.784 -7.661 1.00 0.00 H new ATOM 0 HA ILE A 35 7.249 5.605 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 35 4.812 3.874 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.941 5.743 -4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.424 6.604 -4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.759 3.862 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.179 2.996 -3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.358 4.644 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.563 7.479 -5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.780 6.744 -6.957 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.274 5.870 -6.591 1.00 0.00 H new ATOM 523 N CYS A 36 7.392 2.410 -6.499 1.00 0.00 N ATOM 524 CA CYS A 36 8.187 1.203 -6.297 1.00 0.00 C ATOM 525 C CYS A 36 9.631 1.427 -6.747 1.00 0.00 C ATOM 526 O CYS A 36 10.536 0.815 -6.183 1.00 0.00 O ATOM 527 CB CYS A 36 7.529 -0.028 -6.942 1.00 0.00 C ATOM 528 SG CYS A 36 7.645 -0.103 -8.750 1.00 0.00 S ATOM 0 H CYS A 36 6.625 2.314 -7.164 1.00 0.00 H new ATOM 0 HA CYS A 36 8.222 0.986 -5.229 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.987 -0.925 -6.526 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.476 -0.048 -6.660 1.00 0.00 H new ATOM 0 HG CYS A 36 7.560 1.098 -9.240 1.00 0.00 H new ATOM 534 N ASP A 37 9.838 2.314 -7.723 1.00 0.00 N ATOM 535 CA ASP A 37 11.154 2.644 -8.250 1.00 0.00 C ATOM 536 C ASP A 37 11.940 3.526 -7.288 1.00 0.00 C ATOM 537 O ASP A 37 13.132 3.290 -7.103 1.00 0.00 O ATOM 538 CB ASP A 37 11.036 3.325 -9.618 1.00 0.00 C ATOM 539 CG ASP A 37 11.921 2.612 -10.632 1.00 0.00 C ATOM 540 OD1 ASP A 37 11.672 1.405 -10.898 1.00 0.00 O ATOM 541 OD2 ASP A 37 12.831 3.234 -11.205 1.00 0.00 O ATOM 0 H ASP A 37 9.081 2.828 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 37 11.700 1.708 -8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.999 3.309 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.330 4.372 -9.539 1.00 0.00 H new ATOM 546 N LEU A 38 11.309 4.489 -6.596 1.00 0.00 N ATOM 547 CA LEU A 38 12.037 5.224 -5.569 1.00 0.00 C ATOM 548 C LEU A 38 12.515 4.263 -4.489 1.00 0.00 C ATOM 549 O LEU A 38 13.660 4.343 -4.059 1.00 0.00 O ATOM 550 CB LEU A 38 11.262 6.375 -4.949 1.00 0.00 C ATOM 551 CG LEU A 38 11.109 7.556 -5.911 1.00 0.00 C ATOM 552 CD1 LEU A 38 10.691 8.836 -5.188 1.00 0.00 C ATOM 553 CD2 LEU A 38 12.324 7.942 -6.762 1.00 0.00 C ATOM 0 H LEU A 38 10.335 4.764 -6.726 1.00 0.00 H new ATOM 0 HA LEU A 38 12.886 5.686 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.275 6.025 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.772 6.709 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 38 10.346 7.164 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.595 9.647 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.734 8.677 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.446 9.098 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.070 8.793 -7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.155 8.210 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.612 7.098 -7.388 1.00 0.00 H new ATOM 565 N LEU A 39 11.657 3.329 -4.083 1.00 0.00 N ATOM 566 CA LEU A 39 11.952 2.267 -3.132 1.00 0.00 C ATOM 567 C LEU A 39 12.951 1.227 -3.662 1.00 0.00 C ATOM 568 O LEU A 39 13.425 0.397 -2.883 1.00 0.00 O ATOM 569 CB LEU A 39 10.638 1.602 -2.721 1.00 0.00 C ATOM 570 CG LEU A 39 9.723 2.472 -1.850 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.235 2.117 -1.925 1.00 0.00 C ATOM 572 CD2 LEU A 39 10.182 2.234 -0.435 1.00 0.00 C ATOM 0 H LEU A 39 10.697 3.293 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 39 12.440 2.720 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.095 1.316 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.865 0.683 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 39 9.799 3.502 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.668 2.785 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.886 2.226 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.090 1.087 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.573 2.824 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.079 1.176 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.227 2.529 -0.337 1.00 0.00 H new ATOM 584 N ARG A 40 13.323 1.253 -4.940 1.00 0.00 N ATOM 585 CA ARG A 40 14.541 0.615 -5.432 1.00 0.00 C ATOM 586 C ARG A 40 15.743 1.537 -5.219 1.00 0.00 C ATOM 587 O ARG A 40 16.691 1.138 -4.548 1.00 0.00 O ATOM 588 CB ARG A 40 14.414 0.264 -6.917 1.00 0.00 C ATOM 589 CG ARG A 40 13.465 -0.904 -7.202 1.00 0.00 C ATOM 590 CD ARG A 40 13.295 -1.132 -8.708 1.00 0.00 C ATOM 591 NE ARG A 40 14.571 -1.448 -9.365 1.00 0.00 N ATOM 592 CZ ARG A 40 14.846 -2.488 -10.157 1.00 0.00 C ATOM 593 NH1 ARG A 40 13.904 -3.336 -10.558 1.00 0.00 N ATOM 594 NH2 ARG A 40 16.100 -2.683 -10.537 1.00 0.00 N ATOM 0 H ARG A 40 12.783 1.721 -5.668 1.00 0.00 H new ATOM 0 HA ARG A 40 14.690 -0.307 -4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.065 1.143 -7.459 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.402 0.020 -7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.852 -1.811 -6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.493 -0.704 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.590 -1.947 -8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.864 -0.240 -9.163 1.00 0.00 H new ATOM 0 HE ARG A 40 15.337 -0.796 -9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.937 -3.202 -10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.148 -4.120 -11.163 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.832 -2.045 -10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.333 -3.471 -11.142 1.00 0.00 H new ATOM 608 N SER A 41 15.734 2.736 -5.804 1.00 0.00 N ATOM 609 CA SER A 41 16.867 3.663 -5.895 1.00 0.00 C ATOM 610 C SER A 41 17.274 4.351 -4.581 1.00 0.00 C ATOM 611 O SER A 41 18.062 5.305 -4.606 1.00 0.00 O ATOM 612 CB SER A 41 16.548 4.687 -6.995 1.00 0.00 C ATOM 613 OG SER A 41 16.825 4.077 -8.238 1.00 0.00 O ATOM 0 H SER A 41 14.895 3.107 -6.250 1.00 0.00 H new ATOM 0 HA SER A 41 17.748 3.070 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.503 4.993 -6.943 1.00 0.00 H new ATOM 0 HB3 SER A 41 17.150 5.587 -6.867 1.00 0.00 H new ATOM 0 HG SER A 41 16.629 4.707 -8.963 1.00 0.00 H new ATOM 619 N SER A 42 16.770 3.901 -3.435 1.00 0.00 N ATOM 620 CA SER A 42 16.905 4.586 -2.158 1.00 0.00 C ATOM 621 C SER A 42 17.409 3.638 -1.066 1.00 0.00 C ATOM 622 O SER A 42 17.211 2.421 -1.140 1.00 0.00 O ATOM 623 CB SER A 42 15.530 5.145 -1.815 1.00 0.00 C ATOM 624 OG SER A 42 15.128 6.151 -2.723 1.00 0.00 O ATOM 0 H SER A 42 16.244 3.029 -3.370 1.00 0.00 H new ATOM 0 HA SER A 42 17.642 5.386 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.798 4.337 -1.821 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.546 5.553 -0.805 1.00 0.00 H new ATOM 0 HG SER A 42 14.530 5.764 -3.396 1.00 0.00 H new ATOM 630 N HIS A 43 18.022 4.199 -0.020 1.00 0.00 N ATOM 631 CA HIS A 43 18.436 3.458 1.169 1.00 0.00 C ATOM 632 C HIS A 43 17.216 2.962 1.951 1.00 0.00 C ATOM 633 O HIS A 43 16.134 3.545 1.845 1.00 0.00 O ATOM 634 CB HIS A 43 19.322 4.358 2.049 1.00 0.00 C ATOM 635 CG HIS A 43 20.032 3.646 3.179 1.00 0.00 C ATOM 636 ND1 HIS A 43 20.059 4.020 4.504 1.00 0.00 N ATOM 637 CD2 HIS A 43 20.834 2.546 3.060 1.00 0.00 C ATOM 638 CE1 HIS A 43 20.844 3.157 5.169 1.00 0.00 C ATOM 639 NE2 HIS A 43 21.328 2.223 4.329 1.00 0.00 N ATOM 0 H HIS A 43 18.246 5.193 0.023 1.00 0.00 H new ATOM 0 HA HIS A 43 19.010 2.583 0.863 1.00 0.00 H new ATOM 0 HB2 HIS A 43 20.068 4.838 1.416 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.704 5.151 2.470 1.00 0.00 H new ATOM 0 HD2 HIS A 43 21.050 2.017 2.144 1.00 0.00 H new ATOM 0 HE1 HIS A 43 21.057 3.205 6.227 1.00 0.00 H new ATOM 0 HE2 HIS A 43 21.933 1.438 4.569 1.00 0.00 H new ATOM 647 N VAL A 44 17.406 1.969 2.826 1.00 0.00 N ATOM 648 CA VAL A 44 16.370 1.475 3.731 1.00 0.00 C ATOM 649 C VAL A 44 15.735 2.607 4.544 1.00 0.00 C ATOM 650 O VAL A 44 14.541 2.548 4.826 1.00 0.00 O ATOM 651 CB VAL A 44 16.921 0.352 4.635 1.00 0.00 C ATOM 652 CG1 VAL A 44 17.902 0.860 5.704 1.00 0.00 C ATOM 653 CG2 VAL A 44 15.778 -0.410 5.319 1.00 0.00 C ATOM 0 H VAL A 44 18.296 1.481 2.925 1.00 0.00 H new ATOM 0 HA VAL A 44 15.573 1.047 3.122 1.00 0.00 H new ATOM 0 HB VAL A 44 17.473 -0.316 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 44 18.252 0.021 6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 44 18.753 1.338 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.398 1.582 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.192 -1.196 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.197 0.279 5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.133 -0.855 4.561 1.00 0.00 H new ATOM 663 N SER A 45 16.490 3.654 4.889 1.00 0.00 N ATOM 664 CA SER A 45 15.931 4.704 5.718 1.00 0.00 C ATOM 665 C SER A 45 14.778 5.432 5.012 1.00 0.00 C ATOM 666 O SER A 45 13.862 5.948 5.654 1.00 0.00 O ATOM 667 CB SER A 45 17.030 5.657 6.173 1.00 0.00 C ATOM 668 OG SER A 45 16.654 6.342 7.348 1.00 0.00 O ATOM 0 H SER A 45 17.462 3.789 4.612 1.00 0.00 H new ATOM 0 HA SER A 45 15.499 4.248 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.949 5.099 6.352 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.243 6.376 5.382 1.00 0.00 H new ATOM 0 HG SER A 45 17.376 6.946 7.620 1.00 0.00 H new ATOM 674 N ILE A 46 14.819 5.453 3.683 1.00 0.00 N ATOM 675 CA ILE A 46 13.822 6.069 2.833 1.00 0.00 C ATOM 676 C ILE A 46 12.627 5.113 2.685 1.00 0.00 C ATOM 677 O ILE A 46 11.486 5.581 2.706 1.00 0.00 O ATOM 678 CB ILE A 46 14.471 6.390 1.475 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.918 6.955 1.520 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.565 7.308 0.647 1.00 0.00 C ATOM 681 CD1 ILE A 46 16.144 8.192 2.391 1.00 0.00 C ATOM 0 H ILE A 46 15.579 5.024 3.155 1.00 0.00 H new ATOM 0 HA ILE A 46 13.453 6.998 3.267 1.00 0.00 H new ATOM 0 HB ILE A 46 14.576 5.417 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.581 6.165 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 46 16.221 7.196 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 46 14.042 7.523 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.609 6.815 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.399 8.240 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.192 8.488 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.518 9.009 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.883 7.962 3.424 1.00 0.00 H new ATOM 693 N VAL A 47 12.873 3.790 2.617 1.00 0.00 N ATOM 694 CA VAL A 47 11.819 2.776 2.632 1.00 0.00 C ATOM 695 C VAL A 47 10.938 3.044 3.862 1.00 0.00 C ATOM 696 O VAL A 47 9.722 2.952 3.736 1.00 0.00 O ATOM 697 CB VAL A 47 12.370 1.331 2.719 1.00 0.00 C ATOM 698 CG1 VAL A 47 11.262 0.270 2.749 1.00 0.00 C ATOM 699 CG2 VAL A 47 13.278 0.966 1.546 1.00 0.00 C ATOM 0 H VAL A 47 13.814 3.401 2.550 1.00 0.00 H new ATOM 0 HA VAL A 47 11.263 2.848 1.697 1.00 0.00 H new ATOM 0 HB VAL A 47 12.931 1.328 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.710 -0.722 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.624 0.435 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.664 0.343 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.632 -0.058 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.720 1.051 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.131 1.644 1.522 1.00 0.00 H new ATOM 709 N LYS A 48 11.522 3.352 5.032 1.00 0.00 N ATOM 710 CA LYS A 48 10.775 3.565 6.279 1.00 0.00 C ATOM 711 C LYS A 48 9.812 4.745 6.172 1.00 0.00 C ATOM 712 O LYS A 48 8.667 4.627 6.594 1.00 0.00 O ATOM 713 CB LYS A 48 11.713 3.832 7.465 1.00 0.00 C ATOM 714 CG LYS A 48 12.624 2.662 7.872 1.00 0.00 C ATOM 715 CD LYS A 48 13.515 3.033 9.074 1.00 0.00 C ATOM 716 CE LYS A 48 14.513 4.147 8.721 1.00 0.00 C ATOM 717 NZ LYS A 48 14.615 5.239 9.704 1.00 0.00 N ATOM 0 H LYS A 48 12.531 3.460 5.138 1.00 0.00 H new ATOM 0 HA LYS A 48 10.215 2.645 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.341 4.689 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.108 4.114 8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.014 1.795 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.251 2.376 7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.888 3.356 9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.059 2.150 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.500 3.701 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.230 4.573 7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.312 5.938 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.688 5.698 9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.918 4.853 10.621 1.00 0.00 H new ATOM 731 N GLU A 49 10.256 5.896 5.648 1.00 0.00 N ATOM 732 CA GLU A 49 9.332 7.023 5.501 1.00 0.00 C ATOM 733 C GLU A 49 8.168 6.597 4.613 1.00 0.00 C ATOM 734 O GLU A 49 7.003 6.837 4.943 1.00 0.00 O ATOM 735 CB GLU A 49 10.000 8.269 4.901 1.00 0.00 C ATOM 736 CG GLU A 49 10.515 9.237 5.973 1.00 0.00 C ATOM 737 CD GLU A 49 10.738 10.636 5.394 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.422 10.756 4.352 1.00 0.00 O ATOM 739 OE2 GLU A 49 10.259 11.627 5.997 1.00 0.00 O ATOM 0 H GLU A 49 11.210 6.067 5.331 1.00 0.00 H new ATOM 0 HA GLU A 49 8.986 7.294 6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.831 7.961 4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.285 8.788 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.799 9.290 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.449 8.860 6.389 1.00 0.00 H new ATOM 746 N PHE A 50 8.495 5.968 3.487 1.00 0.00 N ATOM 747 CA PHE A 50 7.516 5.489 2.541 1.00 0.00 C ATOM 748 C PHE A 50 6.557 4.481 3.159 1.00 0.00 C ATOM 749 O PHE A 50 5.373 4.532 2.831 1.00 0.00 O ATOM 750 CB PHE A 50 8.226 4.843 1.356 1.00 0.00 C ATOM 751 CG PHE A 50 8.452 5.721 0.158 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.343 6.289 -0.487 1.00 0.00 C ATOM 753 CD2 PHE A 50 9.732 5.820 -0.410 1.00 0.00 C ATOM 754 CE1 PHE A 50 7.495 6.885 -1.746 1.00 0.00 C ATOM 755 CE2 PHE A 50 9.888 6.430 -1.662 1.00 0.00 C ATOM 756 CZ PHE A 50 8.762 6.926 -2.344 1.00 0.00 C ATOM 0 H PHE A 50 9.459 5.779 3.212 1.00 0.00 H new ATOM 0 HA PHE A 50 6.930 6.349 2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.193 4.473 1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.646 3.976 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.373 6.267 -0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.591 5.429 0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.641 7.310 -2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.870 6.519 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.875 7.341 -3.335 1.00 0.00 H new ATOM 766 N SER A 51 7.056 3.518 3.941 1.00 0.00 N ATOM 767 CA SER A 51 6.269 2.387 4.408 1.00 0.00 C ATOM 768 C SER A 51 5.149 2.966 5.235 1.00 0.00 C ATOM 769 O SER A 51 3.996 2.779 4.874 1.00 0.00 O ATOM 770 CB SER A 51 7.122 1.354 5.179 1.00 0.00 C ATOM 771 OG SER A 51 7.785 1.897 6.299 1.00 0.00 O ATOM 0 H SER A 51 8.023 3.507 4.266 1.00 0.00 H new ATOM 0 HA SER A 51 5.865 1.818 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.480 0.537 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.861 0.926 4.501 1.00 0.00 H new ATOM 0 HG SER A 51 8.029 2.828 6.115 1.00 0.00 H new ATOM 777 N GLU A 52 5.487 3.772 6.235 1.00 0.00 N ATOM 778 CA GLU A 52 4.528 4.510 7.029 1.00 0.00 C ATOM 779 C GLU A 52 3.509 5.230 6.151 1.00 0.00 C ATOM 780 O GLU A 52 2.318 5.019 6.353 1.00 0.00 O ATOM 781 CB GLU A 52 5.243 5.452 7.995 1.00 0.00 C ATOM 782 CG GLU A 52 6.101 4.649 8.984 1.00 0.00 C ATOM 783 CD GLU A 52 5.914 5.155 10.402 1.00 0.00 C ATOM 784 OE1 GLU A 52 4.987 4.672 11.099 1.00 0.00 O ATOM 785 OE2 GLU A 52 6.710 5.996 10.867 1.00 0.00 O ATOM 0 H GLU A 52 6.454 3.930 6.517 1.00 0.00 H new ATOM 0 HA GLU A 52 3.961 3.800 7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.872 6.147 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.512 6.050 8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.831 3.594 8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.152 4.723 8.703 1.00 0.00 H new ATOM 792 N PHE A 53 3.910 6.028 5.157 1.00 0.00 N ATOM 793 CA PHE A 53 2.919 6.784 4.401 1.00 0.00 C ATOM 794 C PHE A 53 1.965 5.878 3.601 1.00 0.00 C ATOM 795 O PHE A 53 0.827 6.286 3.331 1.00 0.00 O ATOM 796 CB PHE A 53 3.623 7.801 3.496 1.00 0.00 C ATOM 797 CG PHE A 53 4.480 8.846 4.202 1.00 0.00 C ATOM 798 CD1 PHE A 53 4.021 9.509 5.358 1.00 0.00 C ATOM 799 CD2 PHE A 53 5.727 9.206 3.659 1.00 0.00 C ATOM 800 CE1 PHE A 53 4.766 10.557 5.925 1.00 0.00 C ATOM 801 CE2 PHE A 53 6.486 10.242 4.240 1.00 0.00 C ATOM 802 CZ PHE A 53 5.994 10.932 5.359 1.00 0.00 C ATOM 0 H PHE A 53 4.879 6.162 4.867 1.00 0.00 H new ATOM 0 HA PHE A 53 2.292 7.319 5.115 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.255 7.256 2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.866 8.319 2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.088 9.209 5.812 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.105 8.685 2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.393 11.074 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.447 10.505 3.824 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.559 11.749 5.783 1.00 0.00 H new ATOM 812 N ILE A 54 2.389 4.655 3.249 1.00 0.00 N ATOM 813 CA ILE A 54 1.535 3.618 2.682 1.00 0.00 C ATOM 814 C ILE A 54 0.654 2.999 3.771 1.00 0.00 C ATOM 815 O ILE A 54 -0.536 2.783 3.549 1.00 0.00 O ATOM 816 CB ILE A 54 2.359 2.542 1.942 1.00 0.00 C ATOM 817 CG1 ILE A 54 3.213 3.154 0.802 1.00 0.00 C ATOM 818 CG2 ILE A 54 1.417 1.494 1.316 1.00 0.00 C ATOM 819 CD1 ILE A 54 4.411 2.284 0.405 1.00 0.00 C ATOM 0 H ILE A 54 3.359 4.359 3.356 1.00 0.00 H new ATOM 0 HA ILE A 54 0.885 4.084 1.941 1.00 0.00 H new ATOM 0 HB ILE A 54 3.019 2.084 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.581 3.310 -0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.573 4.135 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.007 0.739 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.829 1.018 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.748 1.983 0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.965 2.772 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.064 2.149 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.057 1.312 0.063 1.00 0.00 H new ATOM 831 N LEU A 55 1.222 2.632 4.915 1.00 0.00 N ATOM 832 CA LEU A 55 0.541 1.844 5.930 1.00 0.00 C ATOM 833 C LEU A 55 -0.546 2.681 6.594 1.00 0.00 C ATOM 834 O LEU A 55 -1.683 2.230 6.725 1.00 0.00 O ATOM 835 CB LEU A 55 1.523 1.338 6.991 1.00 0.00 C ATOM 836 CG LEU A 55 2.644 0.417 6.493 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.797 0.520 7.490 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.180 -1.028 6.298 1.00 0.00 C ATOM 0 H LEU A 55 2.180 2.878 5.164 1.00 0.00 H new ATOM 0 HA LEU A 55 0.091 0.980 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.979 2.202 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.957 0.806 7.756 1.00 0.00 H new ATOM 0 HG LEU A 55 2.969 0.739 5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.615 -0.124 7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.145 1.552 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.455 0.205 8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.015 -1.634 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.819 -1.425 7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.375 -1.056 5.563 1.00 0.00 H new ATOM 850 N LYS A 56 -0.218 3.921 6.967 1.00 0.00 N ATOM 851 CA LYS A 56 -1.146 4.859 7.591 1.00 0.00 C ATOM 852 C LYS A 56 -2.328 5.201 6.681 1.00 0.00 C ATOM 853 O LYS A 56 -3.277 5.843 7.131 1.00 0.00 O ATOM 854 CB LYS A 56 -0.417 6.157 7.985 1.00 0.00 C ATOM 855 CG LYS A 56 0.758 6.008 8.961 1.00 0.00 C ATOM 856 CD LYS A 56 0.435 5.278 10.261 1.00 0.00 C ATOM 857 CE LYS A 56 1.715 5.222 11.103 1.00 0.00 C ATOM 858 NZ LYS A 56 1.986 6.486 11.819 1.00 0.00 N ATOM 0 H LYS A 56 0.718 4.305 6.840 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.537 4.367 8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.048 6.632 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.145 6.837 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.564 5.476 8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.135 7.001 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.355 5.797 10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.071 4.272 10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.633 4.411 11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.560 4.988 10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.862 6.391 12.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.092 7.259 11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.194 6.699 12.459 1.00 0.00 H new ATOM 872 N ARG A 57 -2.294 4.813 5.403 1.00 0.00 N ATOM 873 CA ARG A 57 -3.399 5.008 4.483 1.00 0.00 C ATOM 874 C ARG A 57 -4.600 4.154 4.890 1.00 0.00 C ATOM 875 O ARG A 57 -5.742 4.559 4.665 1.00 0.00 O ATOM 876 CB ARG A 57 -2.878 4.667 3.074 1.00 0.00 C ATOM 877 CG ARG A 57 -3.427 5.512 1.929 1.00 0.00 C ATOM 878 CD ARG A 57 -3.423 7.013 2.188 1.00 0.00 C ATOM 879 NE ARG A 57 -2.084 7.509 2.561 1.00 0.00 N ATOM 880 CZ ARG A 57 -1.644 8.755 2.360 1.00 0.00 C ATOM 881 NH1 ARG A 57 -2.493 9.756 2.153 1.00 0.00 N ATOM 882 NH2 ARG A 57 -0.338 8.973 2.361 1.00 0.00 N ATOM 0 H ARG A 57 -1.488 4.351 4.982 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.753 6.039 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.792 4.761 3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.107 3.621 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.841 5.310 1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.449 5.196 1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.767 7.535 1.295 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.130 7.245 2.985 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.445 6.850 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.498 9.579 2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.140 10.701 2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.308 8.199 2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.022 9.915 2.210 1.00 0.00 H new ATOM 896 N LEU A 58 -4.355 2.989 5.495 1.00 0.00 N ATOM 897 CA LEU A 58 -5.400 2.108 6.001 1.00 0.00 C ATOM 898 C LEU A 58 -6.054 2.762 7.208 1.00 0.00 C ATOM 899 O LEU A 58 -7.274 2.897 7.252 1.00 0.00 O ATOM 900 CB LEU A 58 -4.827 0.733 6.388 1.00 0.00 C ATOM 901 CG LEU A 58 -4.484 -0.206 5.218 1.00 0.00 C ATOM 902 CD1 LEU A 58 -5.704 -0.497 4.350 1.00 0.00 C ATOM 903 CD2 LEU A 58 -3.381 0.319 4.306 1.00 0.00 C ATOM 0 H LEU A 58 -3.412 2.630 5.647 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.140 1.949 5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.925 0.890 6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.547 0.230 7.033 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.128 -1.115 5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.420 -1.163 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.476 -0.972 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.089 0.436 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.197 -0.399 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.688 1.272 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.468 0.460 4.884 1.00 0.00 H new ATOM 915 N ASP A 59 -5.221 3.216 8.145 1.00 0.00 N ATOM 916 CA ASP A 59 -5.569 3.857 9.416 1.00 0.00 C ATOM 917 C ASP A 59 -6.302 5.196 9.256 1.00 0.00 C ATOM 918 O ASP A 59 -6.635 5.823 10.262 1.00 0.00 O ATOM 919 CB ASP A 59 -4.282 4.050 10.249 1.00 0.00 C ATOM 920 CG ASP A 59 -4.012 2.967 11.298 1.00 0.00 C ATOM 921 OD1 ASP A 59 -4.824 2.033 11.485 1.00 0.00 O ATOM 922 OD2 ASP A 59 -2.903 2.990 11.893 1.00 0.00 O ATOM 0 H ASP A 59 -4.211 3.140 8.028 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.269 3.196 9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.432 4.093 9.568 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.336 5.015 10.753 1.00 0.00 H new ATOM 927 N ASN A 60 -6.560 5.654 8.025 1.00 0.00 N ATOM 928 CA ASN A 60 -7.360 6.838 7.702 1.00 0.00 C ATOM 929 C ASN A 60 -8.837 6.642 8.098 1.00 0.00 C ATOM 930 O ASN A 60 -9.137 5.897 9.036 1.00 0.00 O ATOM 931 CB ASN A 60 -7.130 7.235 6.229 1.00 0.00 C ATOM 932 CG ASN A 60 -7.445 8.701 6.023 1.00 0.00 C ATOM 933 OD1 ASN A 60 -8.520 9.031 5.539 1.00 0.00 O ATOM 934 ND2 ASN A 60 -6.550 9.590 6.397 1.00 0.00 N ATOM 0 H ASN A 60 -6.201 5.188 7.192 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.031 7.688 8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.096 7.036 5.949 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.759 6.626 5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.743 10.585 6.287 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.663 9.284 6.797 1.00 0.00 H new ATOM 941 N LYS A 61 -9.792 7.318 7.447 1.00 0.00 N ATOM 942 CA LYS A 61 -11.225 7.080 7.645 1.00 0.00 C ATOM 943 C LYS A 61 -11.882 6.571 6.367 1.00 0.00 C ATOM 944 O LYS A 61 -12.569 5.551 6.418 1.00 0.00 O ATOM 945 CB LYS A 61 -11.925 8.346 8.169 1.00 0.00 C ATOM 946 CG LYS A 61 -11.700 8.563 9.675 1.00 0.00 C ATOM 947 CD LYS A 61 -12.599 7.702 10.580 1.00 0.00 C ATOM 948 CE LYS A 61 -14.072 8.102 10.418 1.00 0.00 C ATOM 949 NZ LYS A 61 -14.959 7.499 11.432 1.00 0.00 N ATOM 0 H LYS A 61 -9.590 8.049 6.765 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.334 6.302 8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.557 9.214 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.995 8.274 7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.657 8.349 9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.870 9.614 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.473 6.649 10.330 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.297 7.821 11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.154 9.187 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.414 7.807 9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.938 7.809 11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.908 6.462 11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.657 7.800 12.381 1.00 0.00 H new ATOM 963 N SER A 62 -11.678 7.268 5.247 1.00 0.00 N ATOM 964 CA SER A 62 -12.344 7.012 3.976 1.00 0.00 C ATOM 965 C SER A 62 -12.246 5.536 3.544 1.00 0.00 C ATOM 966 O SER A 62 -11.179 4.928 3.677 1.00 0.00 O ATOM 967 CB SER A 62 -11.722 7.943 2.927 1.00 0.00 C ATOM 968 OG SER A 62 -12.211 7.685 1.627 1.00 0.00 O ATOM 0 H SER A 62 -11.024 8.049 5.202 1.00 0.00 H new ATOM 0 HA SER A 62 -13.410 7.214 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.932 8.979 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.638 7.825 2.936 1.00 0.00 H new ATOM 0 HG SER A 62 -11.790 8.301 0.991 1.00 0.00 H new ATOM 974 N PRO A 63 -13.295 4.962 2.926 1.00 0.00 N ATOM 975 CA PRO A 63 -13.201 3.677 2.240 1.00 0.00 C ATOM 976 C PRO A 63 -12.229 3.732 1.047 1.00 0.00 C ATOM 977 O PRO A 63 -11.486 2.784 0.807 1.00 0.00 O ATOM 978 CB PRO A 63 -14.638 3.346 1.803 1.00 0.00 C ATOM 979 CG PRO A 63 -15.314 4.707 1.691 1.00 0.00 C ATOM 980 CD PRO A 63 -14.607 5.566 2.728 1.00 0.00 C ATOM 0 HA PRO A 63 -12.795 2.903 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.653 2.814 0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.140 2.710 2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.206 5.123 0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.383 4.638 1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.514 6.596 2.383 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.169 5.592 3.662 1.00 0.00 H new ATOM 988 N ILE A 64 -12.233 4.813 0.271 1.00 0.00 N ATOM 989 CA ILE A 64 -11.599 4.871 -1.051 1.00 0.00 C ATOM 990 C ILE A 64 -10.091 4.788 -0.886 1.00 0.00 C ATOM 991 O ILE A 64 -9.420 3.957 -1.504 1.00 0.00 O ATOM 992 CB ILE A 64 -12.005 6.188 -1.738 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.537 6.254 -1.894 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.338 6.375 -3.106 1.00 0.00 C ATOM 995 CD1 ILE A 64 -14.063 7.647 -1.542 1.00 0.00 C ATOM 0 H ILE A 64 -12.682 5.687 0.543 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.925 4.035 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.659 6.998 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.813 6.005 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.005 5.511 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.662 7.320 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.255 6.383 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.623 5.555 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.146 7.667 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.806 7.883 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.612 8.385 -2.206 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.578 5.634 0.003 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.163 5.770 0.284 1.00 0.00 C ATOM 1009 C VAL A 65 -7.570 4.431 0.725 1.00 0.00 C ATOM 1010 O VAL A 65 -6.380 4.188 0.520 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.024 6.922 1.305 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.299 6.452 2.739 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -6.654 7.580 1.247 1.00 0.00 C ATOM 0 H VAL A 65 -10.158 6.260 0.561 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.580 6.032 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.776 7.659 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.191 7.293 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.313 6.059 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.589 5.670 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.605 8.383 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.885 6.839 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.489 7.990 0.251 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.392 3.559 1.328 1.00 0.00 N ATOM 1024 CA LYS A 66 -7.912 2.239 1.713 1.00 0.00 C ATOM 1025 C LYS A 66 -7.698 1.439 0.429 1.00 0.00 C ATOM 1026 O LYS A 66 -6.593 0.953 0.193 1.00 0.00 O ATOM 1027 CB LYS A 66 -8.911 1.526 2.655 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.652 1.791 4.146 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.918 1.940 4.993 1.00 0.00 C ATOM 1030 CE LYS A 66 -10.893 0.778 4.886 1.00 0.00 C ATOM 1031 NZ LYS A 66 -12.052 0.987 5.775 1.00 0.00 N ATOM 0 H LYS A 66 -9.370 3.745 1.552 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.978 2.326 2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.923 1.848 2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.865 0.452 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.055 0.973 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.056 2.699 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.629 2.059 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.431 2.855 4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.233 0.675 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.389 -0.152 5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.879 0.486 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.833 0.619 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.262 2.004 5.838 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.754 1.289 -0.381 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.753 0.469 -1.588 1.00 0.00 C ATOM 1047 C GLN A 67 -7.594 0.845 -2.514 1.00 0.00 C ATOM 1048 O GLN A 67 -6.902 -0.046 -3.007 1.00 0.00 O ATOM 1049 CB GLN A 67 -10.129 0.542 -2.275 1.00 0.00 C ATOM 1050 CG GLN A 67 -10.271 -0.406 -3.484 1.00 0.00 C ATOM 1051 CD GLN A 67 -9.897 0.207 -4.841 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -10.115 1.388 -5.115 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -9.387 -0.592 -5.761 1.00 0.00 N ATOM 0 H GLN A 67 -9.649 1.746 -0.207 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.586 -0.573 -1.315 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.903 0.304 -1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.307 1.566 -2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.645 -1.282 -3.314 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.302 -0.755 -3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.204 -1.571 -5.541 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.176 -0.230 -6.691 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.353 2.144 -2.723 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.247 2.612 -3.555 1.00 0.00 C ATOM 1064 C LYS A 68 -4.901 2.084 -3.053 1.00 0.00 C ATOM 1065 O LYS A 68 -4.150 1.500 -3.834 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.255 4.149 -3.649 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.405 4.662 -4.527 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.229 6.137 -4.898 1.00 0.00 C ATOM 1069 CE LYS A 68 -8.340 6.575 -5.850 1.00 0.00 C ATOM 1070 NZ LYS A 68 -8.080 7.898 -6.447 1.00 0.00 N ATOM 0 H LYS A 68 -7.917 2.893 -2.322 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.388 2.212 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.344 4.574 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.305 4.493 -4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.462 4.064 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.350 4.531 -4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.248 6.751 -3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.257 6.289 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.447 5.836 -6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.287 6.603 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.663 8.014 -7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.319 8.642 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.074 7.972 -6.702 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.561 2.289 -1.781 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.245 1.992 -1.265 1.00 0.00 C ATOM 1086 C ALA A 69 -2.994 0.479 -1.193 1.00 0.00 C ATOM 1087 O ALA A 69 -1.878 0.026 -1.434 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.152 2.691 0.084 1.00 0.00 C ATOM 0 H ALA A 69 -5.202 2.668 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.459 2.359 -1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.173 2.502 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.287 3.764 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.929 2.309 0.746 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.033 -0.331 -0.980 1.00 0.00 N ATOM 1095 CA LEU A 70 -3.915 -1.787 -0.986 1.00 0.00 C ATOM 1096 C LEU A 70 -3.333 -2.319 -2.300 1.00 0.00 C ATOM 1097 O LEU A 70 -2.413 -3.141 -2.271 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.284 -2.419 -0.754 1.00 0.00 C ATOM 1099 CG LEU A 70 -5.876 -2.276 0.650 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -7.337 -2.727 0.612 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -5.077 -3.111 1.649 1.00 0.00 C ATOM 0 H LEU A 70 -4.979 0.006 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.229 -2.057 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.985 -1.983 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.213 -3.481 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.826 -1.236 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.773 -2.631 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.892 -2.104 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.388 -3.768 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.509 -3.000 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.109 -4.160 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.042 -2.770 1.663 1.00 0.00 H new ATOM 1113 N ARG A 71 -3.848 -1.866 -3.451 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.329 -2.309 -4.750 1.00 0.00 C ATOM 1115 C ARG A 71 -1.965 -1.695 -5.075 1.00 0.00 C ATOM 1116 O ARG A 71 -1.236 -2.279 -5.877 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.343 -2.083 -5.887 1.00 0.00 C ATOM 1118 CG ARG A 71 -4.881 -0.647 -5.997 1.00 0.00 C ATOM 1119 CD ARG A 71 -5.588 -0.348 -7.323 1.00 0.00 C ATOM 1120 NE ARG A 71 -6.617 -1.339 -7.678 1.00 0.00 N ATOM 1121 CZ ARG A 71 -7.266 -1.413 -8.843 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -7.117 -0.465 -9.759 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -8.075 -2.440 -9.069 1.00 0.00 N ATOM 0 H ARG A 71 -4.617 -1.199 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.176 -3.385 -4.667 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.873 -2.353 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.184 -2.761 -5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.576 -0.466 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.053 0.051 -5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.049 0.638 -7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.845 -0.306 -8.120 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.856 -2.033 -6.969 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.503 0.329 -9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.617 -0.530 -10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.195 -3.161 -8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.577 -2.509 -9.954 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.596 -0.565 -4.459 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.228 -0.052 -4.529 1.00 0.00 C ATOM 1139 C LEU A 72 0.728 -1.044 -3.865 1.00 0.00 C ATOM 1140 O LEU A 72 1.803 -1.279 -4.410 1.00 0.00 O ATOM 1141 CB LEU A 72 -0.119 1.348 -3.879 1.00 0.00 C ATOM 1142 CG LEU A 72 1.320 1.876 -3.701 1.00 0.00 C ATOM 1143 CD1 LEU A 72 2.030 2.127 -5.032 1.00 0.00 C ATOM 1144 CD2 LEU A 72 1.293 3.182 -2.904 1.00 0.00 C ATOM 0 H LEU A 72 -2.230 0.011 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 72 0.051 0.058 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.678 2.059 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.602 1.317 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 72 1.876 1.104 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.038 2.497 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.085 1.196 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.474 2.867 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.310 3.553 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.699 3.923 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.850 3.001 -1.925 1.00 0.00 H new ATOM 1156 N ILE A 73 0.356 -1.598 -2.700 1.00 0.00 N ATOM 1157 CA ILE A 73 1.247 -2.415 -1.880 1.00 0.00 C ATOM 1158 C ILE A 73 1.681 -3.610 -2.720 1.00 0.00 C ATOM 1159 O ILE A 73 2.816 -3.674 -3.165 1.00 0.00 O ATOM 1160 CB ILE A 73 0.592 -2.821 -0.534 1.00 0.00 C ATOM 1161 CG1 ILE A 73 0.438 -1.611 0.403 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.436 -3.883 0.203 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -0.611 -1.833 1.501 1.00 0.00 C ATOM 0 H ILE A 73 -0.577 -1.488 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 73 2.128 -1.841 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.389 -3.228 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.400 -1.392 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.161 -0.736 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.950 -4.146 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.527 -4.773 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.428 -3.481 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.674 -0.945 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.582 -2.023 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.324 -2.689 2.111 1.00 0.00 H new ATOM 1175 N LYS A 74 0.772 -4.550 -2.964 1.00 0.00 N ATOM 1176 CA LYS A 74 1.029 -5.792 -3.694 1.00 0.00 C ATOM 1177 C LYS A 74 1.701 -5.620 -5.049 1.00 0.00 C ATOM 1178 O LYS A 74 2.340 -6.559 -5.512 1.00 0.00 O ATOM 1179 CB LYS A 74 -0.282 -6.558 -3.892 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.358 -5.730 -4.616 1.00 0.00 C ATOM 1181 CD LYS A 74 -1.696 -6.313 -5.995 1.00 0.00 C ATOM 1182 CE LYS A 74 -2.657 -5.389 -6.749 1.00 0.00 C ATOM 1183 NZ LYS A 74 -2.935 -5.872 -8.113 1.00 0.00 N ATOM 0 H LYS A 74 -0.195 -4.467 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 74 1.734 -6.343 -3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.084 -7.465 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.664 -6.870 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.260 -5.694 -4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.010 -4.703 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.782 -6.446 -6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.146 -7.299 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.593 -5.310 -6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.231 -4.387 -6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.589 -5.217 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.046 -5.923 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.366 -6.817 -8.065 1.00 0.00 H new ATOM 1197 N TYR A 75 1.527 -4.473 -5.703 1.00 0.00 N ATOM 1198 CA TYR A 75 2.268 -4.179 -6.908 1.00 0.00 C ATOM 1199 C TYR A 75 3.736 -4.038 -6.536 1.00 0.00 C ATOM 1200 O TYR A 75 4.559 -4.817 -7.001 1.00 0.00 O ATOM 1201 CB TYR A 75 1.680 -2.938 -7.584 1.00 0.00 C ATOM 1202 CG TYR A 75 2.295 -2.566 -8.921 1.00 0.00 C ATOM 1203 CD1 TYR A 75 2.753 -3.552 -9.816 1.00 0.00 C ATOM 1204 CD2 TYR A 75 2.306 -1.218 -9.315 1.00 0.00 C ATOM 1205 CE1 TYR A 75 3.235 -3.192 -11.084 1.00 0.00 C ATOM 1206 CE2 TYR A 75 2.776 -0.851 -10.586 1.00 0.00 C ATOM 1207 CZ TYR A 75 3.246 -1.839 -11.475 1.00 0.00 C ATOM 1208 OH TYR A 75 3.661 -1.495 -12.717 1.00 0.00 O ATOM 0 H TYR A 75 0.880 -3.740 -5.413 1.00 0.00 H new ATOM 0 HA TYR A 75 2.190 -4.983 -7.640 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.611 -3.096 -7.728 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.789 -2.091 -6.906 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.733 -4.592 -9.525 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.950 -0.458 -8.635 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.597 -3.952 -11.760 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.777 0.188 -10.882 1.00 0.00 H new ATOM 0 HH TYR A 75 3.464 -2.224 -13.341 1.00 0.00 H new ATOM 1218 N ALA A 76 4.059 -3.064 -5.689 1.00 0.00 N ATOM 1219 CA ALA A 76 5.419 -2.741 -5.302 1.00 0.00 C ATOM 1220 C ALA A 76 6.113 -3.871 -4.521 1.00 0.00 C ATOM 1221 O ALA A 76 7.333 -4.049 -4.629 1.00 0.00 O ATOM 1222 CB ALA A 76 5.356 -1.469 -4.460 1.00 0.00 C ATOM 0 H ALA A 76 3.362 -2.466 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 76 6.018 -2.600 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.362 -1.190 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.923 -0.662 -5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.738 -1.646 -3.580 1.00 0.00 H new ATOM 1228 N VAL A 77 5.369 -4.619 -3.700 1.00 0.00 N ATOM 1229 CA VAL A 77 5.851 -5.756 -2.957 1.00 0.00 C ATOM 1230 C VAL A 77 6.218 -6.795 -4.007 1.00 0.00 C ATOM 1231 O VAL A 77 5.494 -7.056 -4.962 1.00 0.00 O ATOM 1232 CB VAL A 77 4.833 -6.315 -1.939 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.569 -7.401 -1.143 1.00 0.00 C ATOM 1234 CG2 VAL A 77 4.372 -5.336 -0.853 1.00 0.00 C ATOM 0 H VAL A 77 4.380 -4.431 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 77 6.702 -5.467 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 77 3.966 -6.618 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.893 -7.832 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.910 -8.182 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.427 -6.961 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.660 -5.833 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.233 -5.005 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.895 -4.474 -1.319 1.00 0.00 H new ATOM 1244 N GLY A 78 7.392 -7.360 -3.806 1.00 0.00 N ATOM 1245 CA GLY A 78 7.962 -8.371 -4.677 1.00 0.00 C ATOM 1246 C GLY A 78 8.678 -7.755 -5.881 1.00 0.00 C ATOM 1247 O GLY A 78 9.401 -8.480 -6.565 1.00 0.00 O ATOM 0 H GLY A 78 7.991 -7.124 -3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.665 -8.982 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.172 -9.035 -5.026 1.00 0.00 H new ATOM 1251 N LYS A 79 8.542 -6.437 -6.114 1.00 0.00 N ATOM 1252 CA LYS A 79 9.375 -5.680 -7.047 1.00 0.00 C ATOM 1253 C LYS A 79 10.546 -5.110 -6.264 1.00 0.00 C ATOM 1254 O LYS A 79 11.655 -5.607 -6.432 1.00 0.00 O ATOM 1255 CB LYS A 79 8.591 -4.570 -7.775 1.00 0.00 C ATOM 1256 CG LYS A 79 7.381 -5.124 -8.528 1.00 0.00 C ATOM 1257 CD LYS A 79 6.557 -4.020 -9.217 1.00 0.00 C ATOM 1258 CE LYS A 79 6.929 -3.751 -10.675 1.00 0.00 C ATOM 1259 NZ LYS A 79 6.759 -4.950 -11.524 1.00 0.00 N ATOM 0 H LYS A 79 7.837 -5.865 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 79 9.730 -6.346 -7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.258 -3.826 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.252 -4.059 -8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.720 -5.840 -9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.743 -5.668 -7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.503 -4.292 -9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.672 -3.095 -8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.310 -2.942 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.964 -3.414 -10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.688 -4.662 -12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.578 -5.580 -11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.892 -5.452 -11.246 1.00 0.00 H new ATOM 1273 N SER A 80 10.291 -4.104 -5.411 1.00 0.00 N ATOM 1274 CA SER A 80 11.284 -3.214 -4.800 1.00 0.00 C ATOM 1275 C SER A 80 12.546 -3.978 -4.402 1.00 0.00 C ATOM 1276 O SER A 80 13.625 -3.707 -4.929 1.00 0.00 O ATOM 1277 CB SER A 80 10.637 -2.457 -3.622 1.00 0.00 C ATOM 1278 OG SER A 80 11.587 -1.894 -2.730 1.00 0.00 O ATOM 0 H SER A 80 9.340 -3.881 -5.117 1.00 0.00 H new ATOM 0 HA SER A 80 11.609 -2.473 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.001 -1.663 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.991 -3.140 -3.071 1.00 0.00 H new ATOM 0 HG SER A 80 12.102 -1.202 -3.195 1.00 0.00 H new ATOM 1284 N GLY A 81 12.408 -4.952 -3.502 1.00 0.00 N ATOM 1285 CA GLY A 81 13.555 -5.616 -2.930 1.00 0.00 C ATOM 1286 C GLY A 81 13.182 -6.279 -1.618 1.00 0.00 C ATOM 1287 O GLY A 81 12.009 -6.566 -1.341 1.00 0.00 O ATOM 0 H GLY A 81 11.509 -5.291 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.936 -6.363 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.356 -4.895 -2.766 1.00 0.00 H new ATOM 1291 N SER A 82 14.217 -6.569 -0.846 1.00 0.00 N ATOM 1292 CA SER A 82 14.173 -7.329 0.384 1.00 0.00 C ATOM 1293 C SER A 82 13.934 -6.459 1.619 1.00 0.00 C ATOM 1294 O SER A 82 13.774 -7.029 2.694 1.00 0.00 O ATOM 1295 CB SER A 82 15.483 -8.107 0.483 1.00 0.00 C ATOM 1296 OG SER A 82 15.567 -8.979 -0.631 1.00 0.00 O ATOM 0 H SER A 82 15.161 -6.261 -1.078 1.00 0.00 H new ATOM 0 HA SER A 82 13.321 -8.009 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.331 -7.423 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.519 -8.674 1.413 1.00 0.00 H new ATOM 0 HG SER A 82 16.404 -9.487 -0.586 1.00 0.00 H new ATOM 1302 N GLU A 83 13.874 -5.129 1.487 1.00 0.00 N ATOM 1303 CA GLU A 83 13.671 -4.204 2.601 1.00 0.00 C ATOM 1304 C GLU A 83 12.190 -3.857 2.680 1.00 0.00 C ATOM 1305 O GLU A 83 11.528 -4.155 3.674 1.00 0.00 O ATOM 1306 CB GLU A 83 14.543 -2.946 2.419 1.00 0.00 C ATOM 1307 CG GLU A 83 15.962 -3.121 2.986 1.00 0.00 C ATOM 1308 CD GLU A 83 16.781 -4.248 2.347 1.00 0.00 C ATOM 1309 OE1 GLU A 83 16.620 -5.427 2.748 1.00 0.00 O ATOM 1310 OE2 GLU A 83 17.660 -3.958 1.504 1.00 0.00 O ATOM 0 H GLU A 83 13.967 -4.660 0.586 1.00 0.00 H new ATOM 0 HA GLU A 83 13.974 -4.670 3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.607 -2.704 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.061 -2.101 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.504 -2.184 2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.888 -3.308 4.057 1.00 0.00 H new ATOM 1317 N PHE A 84 11.646 -3.277 1.609 1.00 0.00 N ATOM 1318 CA PHE A 84 10.254 -2.862 1.535 1.00 0.00 C ATOM 1319 C PHE A 84 9.305 -4.010 1.839 1.00 0.00 C ATOM 1320 O PHE A 84 8.247 -3.785 2.431 1.00 0.00 O ATOM 1321 CB PHE A 84 9.940 -2.310 0.143 1.00 0.00 C ATOM 1322 CG PHE A 84 8.461 -2.035 -0.055 1.00 0.00 C ATOM 1323 CD1 PHE A 84 7.832 -1.032 0.699 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.691 -2.832 -0.921 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.465 -0.756 0.533 1.00 0.00 C ATOM 1326 CE2 PHE A 84 6.317 -2.578 -1.059 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.703 -1.531 -0.353 1.00 0.00 C ATOM 0 H PHE A 84 12.173 -3.082 0.758 1.00 0.00 H new ATOM 0 HA PHE A 84 10.108 -2.086 2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.501 -1.389 -0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.278 -3.021 -0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.407 -0.465 1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.154 -3.634 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.003 0.049 1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.724 -3.196 -1.717 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.652 -1.324 -0.491 1.00 0.00 H new ATOM 1337 N ARG A 85 9.645 -5.232 1.402 1.00 0.00 N ATOM 1338 CA ARG A 85 8.746 -6.350 1.632 1.00 0.00 C ATOM 1339 C ARG A 85 8.578 -6.499 3.143 1.00 0.00 C ATOM 1340 O ARG A 85 7.463 -6.570 3.641 1.00 0.00 O ATOM 1341 CB ARG A 85 9.204 -7.639 0.917 1.00 0.00 C ATOM 1342 CG ARG A 85 10.561 -8.191 1.382 1.00 0.00 C ATOM 1343 CD ARG A 85 10.939 -9.507 0.706 1.00 0.00 C ATOM 1344 NE ARG A 85 11.246 -9.372 -0.724 1.00 0.00 N ATOM 1345 CZ ARG A 85 11.539 -10.414 -1.515 1.00 0.00 C ATOM 1346 NH1 ARG A 85 11.614 -11.637 -1.006 1.00 0.00 N ATOM 1347 NH2 ARG A 85 11.764 -10.218 -2.810 1.00 0.00 N ATOM 0 H ARG A 85 10.507 -5.458 0.905 1.00 0.00 H new ATOM 0 HA ARG A 85 7.771 -6.152 1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.446 -8.408 1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.256 -7.444 -0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.335 -7.451 1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.535 -8.339 2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.804 -9.931 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.119 -10.215 0.827 1.00 0.00 H new ATOM 0 HE ARG A 85 11.236 -8.439 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.449 -11.786 -0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.837 -12.428 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.714 -9.277 -3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.987 -11.009 -3.414 1.00 0.00 H new ATOM 1361 N ARG A 86 9.688 -6.477 3.885 1.00 0.00 N ATOM 1362 CA ARG A 86 9.689 -6.670 5.321 1.00 0.00 C ATOM 1363 C ARG A 86 9.035 -5.505 6.033 1.00 0.00 C ATOM 1364 O ARG A 86 8.365 -5.736 7.029 1.00 0.00 O ATOM 1365 CB ARG A 86 11.121 -6.859 5.836 1.00 0.00 C ATOM 1366 CG ARG A 86 11.880 -8.021 5.178 1.00 0.00 C ATOM 1367 CD ARG A 86 11.119 -9.338 5.251 1.00 0.00 C ATOM 1368 NE ARG A 86 11.990 -10.490 4.976 1.00 0.00 N ATOM 1369 CZ ARG A 86 11.718 -11.763 5.279 1.00 0.00 C ATOM 1370 NH1 ARG A 86 10.521 -12.109 5.733 1.00 0.00 N ATOM 1371 NH2 ARG A 86 12.649 -12.698 5.124 1.00 0.00 N ATOM 0 H ARG A 86 10.617 -6.322 3.493 1.00 0.00 H new ATOM 0 HA ARG A 86 9.111 -7.569 5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.679 -5.937 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.089 -7.025 6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.075 -7.777 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.848 -8.138 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.675 -9.446 6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.299 -9.324 4.533 1.00 0.00 H new ATOM 0 HE ARG A 86 12.879 -10.301 4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.797 -11.401 5.854 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.324 -13.083 5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.573 -12.445 4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.440 -13.669 5.356 1.00 0.00 H new ATOM 1385 N GLU A 87 9.190 -4.272 5.554 1.00 0.00 N ATOM 1386 CA GLU A 87 8.494 -3.133 6.149 1.00 0.00 C ATOM 1387 C GLU A 87 6.975 -3.323 6.072 1.00 0.00 C ATOM 1388 O GLU A 87 6.280 -3.057 7.051 1.00 0.00 O ATOM 1389 CB GLU A 87 8.927 -1.818 5.495 1.00 0.00 C ATOM 1390 CG GLU A 87 10.268 -1.311 6.057 1.00 0.00 C ATOM 1391 CD GLU A 87 10.146 -0.799 7.494 1.00 0.00 C ATOM 1392 OE1 GLU A 87 9.348 0.143 7.713 1.00 0.00 O ATOM 1393 OE2 GLU A 87 10.830 -1.363 8.384 1.00 0.00 O ATOM 0 H GLU A 87 9.787 -4.037 4.761 1.00 0.00 H new ATOM 0 HA GLU A 87 8.770 -3.080 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.015 -1.960 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.158 -1.063 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.000 -2.118 6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.646 -0.511 5.421 1.00 0.00 H new ATOM 1400 N MET A 88 6.458 -3.843 4.954 1.00 0.00 N ATOM 1401 CA MET A 88 5.047 -4.209 4.854 1.00 0.00 C ATOM 1402 C MET A 88 4.710 -5.318 5.867 1.00 0.00 C ATOM 1403 O MET A 88 3.695 -5.227 6.555 1.00 0.00 O ATOM 1404 CB MET A 88 4.689 -4.581 3.404 1.00 0.00 C ATOM 1405 CG MET A 88 4.766 -3.379 2.456 1.00 0.00 C ATOM 1406 SD MET A 88 3.455 -2.142 2.643 1.00 0.00 S ATOM 1407 CE MET A 88 4.325 -0.866 3.575 1.00 0.00 C ATOM 0 H MET A 88 6.998 -4.019 4.107 1.00 0.00 H new ATOM 0 HA MET A 88 4.427 -3.351 5.114 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.366 -5.360 3.054 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.682 -4.998 3.377 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.728 -2.887 2.601 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.748 -3.747 1.430 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.721 0.041 3.602 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.501 -1.215 4.593 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.280 -0.652 3.095 1.00 0.00 H new ATOM 1417 N GLN A 89 5.572 -6.327 6.037 1.00 0.00 N ATOM 1418 CA GLN A 89 5.388 -7.407 7.018 1.00 0.00 C ATOM 1419 C GLN A 89 5.398 -6.891 8.461 1.00 0.00 C ATOM 1420 O GLN A 89 4.749 -7.490 9.319 1.00 0.00 O ATOM 1421 CB GLN A 89 6.470 -8.485 6.838 1.00 0.00 C ATOM 1422 CG GLN A 89 6.394 -9.122 5.458 1.00 0.00 C ATOM 1423 CD GLN A 89 7.527 -10.090 5.192 1.00 0.00 C ATOM 1424 OE1 GLN A 89 8.406 -10.316 6.012 1.00 0.00 O ATOM 1425 NE2 GLN A 89 7.567 -10.646 4.002 1.00 0.00 N ATOM 0 H GLN A 89 6.429 -6.419 5.491 1.00 0.00 H new ATOM 0 HA GLN A 89 4.406 -7.842 6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.455 -8.042 6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.351 -9.253 7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.444 -9.646 5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.407 -8.338 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.830 -10.453 3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.335 -11.271 3.757 1.00 0.00 H new ATOM 1434 N ARG A 90 6.072 -5.771 8.754 1.00 0.00 N ATOM 1435 CA ARG A 90 6.069 -5.195 10.110 1.00 0.00 C ATOM 1436 C ARG A 90 4.667 -4.807 10.538 1.00 0.00 C ATOM 1437 O ARG A 90 4.352 -4.889 11.721 1.00 0.00 O ATOM 1438 CB ARG A 90 6.955 -3.951 10.270 1.00 0.00 C ATOM 1439 CG ARG A 90 8.417 -4.158 9.899 1.00 0.00 C ATOM 1440 CD ARG A 90 9.067 -5.462 10.351 1.00 0.00 C ATOM 1441 NE ARG A 90 9.167 -5.549 11.814 1.00 0.00 N ATOM 1442 CZ ARG A 90 10.244 -5.283 12.559 1.00 0.00 C ATOM 1443 NH1 ARG A 90 11.349 -4.776 12.011 1.00 0.00 N ATOM 1444 NH2 ARG A 90 10.195 -5.535 13.863 1.00 0.00 N ATOM 0 H ARG A 90 6.624 -5.246 8.076 1.00 0.00 H new ATOM 0 HA ARG A 90 6.475 -5.988 10.738 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.548 -3.150 9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.901 -3.614 11.305 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.504 -4.094 8.814 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.993 -3.331 10.314 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.487 -6.305 9.977 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.063 -5.541 9.914 1.00 0.00 H new ATOM 0 HE ARG A 90 8.327 -5.843 12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.380 -4.586 11.009 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.163 -4.578 12.593 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.347 -5.924 14.276 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.005 -5.340 14.451 1.00 0.00 H new ATOM 1458 N ASN A 91 3.851 -4.337 9.597 1.00 0.00 N ATOM 1459 CA ASN A 91 2.612 -3.623 9.877 1.00 0.00 C ATOM 1460 C ASN A 91 1.453 -4.225 9.078 1.00 0.00 C ATOM 1461 O ASN A 91 0.448 -3.551 8.852 1.00 0.00 O ATOM 1462 CB ASN A 91 2.828 -2.119 9.621 1.00 0.00 C ATOM 1463 CG ASN A 91 3.805 -1.522 10.626 1.00 0.00 C ATOM 1464 OD1 ASN A 91 4.895 -0.928 10.172 1.00 0.00 O flip ATOM 1465 ND2 ASN A 91 3.603 -1.630 11.832 1.00 0.00 N flip ATOM 0 H ASN A 91 4.038 -4.445 8.600 1.00 0.00 H new ATOM 0 HA ASN A 91 2.334 -3.734 10.925 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.207 -1.971 8.610 1.00 0.00 H new ATOM 0 HB3 ASN A 91 1.874 -1.596 9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.757 -2.091 12.168 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.281 -1.259 12.498 1.00 0.00 H new ATOM 1472 N SER A 92 1.560 -5.501 8.679 1.00 0.00 N ATOM 1473 CA SER A 92 0.585 -6.154 7.807 1.00 0.00 C ATOM 1474 C SER A 92 -0.811 -6.212 8.433 1.00 0.00 C ATOM 1475 O SER A 92 -1.813 -6.281 7.715 1.00 0.00 O ATOM 1476 CB SER A 92 1.086 -7.548 7.403 1.00 0.00 C ATOM 1477 OG SER A 92 0.668 -8.577 8.274 1.00 0.00 O ATOM 0 H SER A 92 2.331 -6.108 8.956 1.00 0.00 H new ATOM 0 HA SER A 92 0.486 -5.548 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.735 -7.772 6.396 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.175 -7.536 7.366 1.00 0.00 H new ATOM 0 HG SER A 92 1.089 -9.421 8.009 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.887 -6.117 9.766 1.00 0.00 N ATOM 1484 CA VAL A 93 -2.131 -6.036 10.507 1.00 0.00 C ATOM 1485 C VAL A 93 -3.051 -4.966 9.930 1.00 0.00 C ATOM 1486 O VAL A 93 -4.261 -5.173 9.887 1.00 0.00 O ATOM 1487 CB VAL A 93 -1.839 -5.805 11.997 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -1.153 -4.466 12.323 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -3.121 -5.957 12.813 1.00 0.00 C ATOM 0 H VAL A 93 -0.061 -6.095 10.364 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.660 -6.984 10.411 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.116 -6.572 12.274 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.988 -4.394 13.398 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.196 -4.412 11.805 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.789 -3.643 11.998 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.903 -5.791 13.868 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.856 -5.226 12.475 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.521 -6.962 12.679 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.490 -3.848 9.453 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.272 -2.728 8.969 1.00 0.00 C ATOM 1501 C ALA A 94 -4.173 -3.117 7.794 1.00 0.00 C ATOM 1502 O ALA A 94 -5.194 -2.485 7.535 1.00 0.00 O ATOM 1503 CB ALA A 94 -2.318 -1.604 8.553 1.00 0.00 C ATOM 0 H ALA A 94 -1.482 -3.705 9.396 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.927 -2.393 9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.894 -0.755 8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.723 -1.295 9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.657 -1.961 7.764 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.774 -4.153 7.064 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.492 -4.727 5.948 1.00 0.00 C ATOM 1511 C VAL A 95 -5.355 -5.880 6.477 1.00 0.00 C ATOM 1512 O VAL A 95 -6.556 -5.918 6.205 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.428 -5.147 4.914 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -4.010 -5.916 3.739 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.661 -3.926 4.392 1.00 0.00 C ATOM 0 H VAL A 95 -2.895 -4.635 7.250 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.179 -4.037 5.457 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.747 -5.816 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.211 -6.183 3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.494 -6.823 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.743 -5.294 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.916 -4.248 3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.357 -3.235 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.164 -3.426 5.223 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.772 -6.806 7.250 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.468 -7.973 7.808 1.00 0.00 C ATOM 1527 C ARG A 96 -6.737 -7.581 8.561 1.00 0.00 C ATOM 1528 O ARG A 96 -7.762 -8.252 8.427 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.514 -8.756 8.725 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.502 -9.586 7.938 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.534 -10.384 8.824 1.00 0.00 C ATOM 1532 NE ARG A 96 -3.193 -11.568 9.409 1.00 0.00 N ATOM 1533 CZ ARG A 96 -3.366 -12.754 8.804 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -2.755 -13.041 7.663 1.00 0.00 N ATOM 1535 NH2 ARG A 96 -4.170 -13.662 9.330 1.00 0.00 N ATOM 0 H ARG A 96 -3.786 -6.764 7.510 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.776 -8.608 6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.983 -8.059 9.373 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.094 -9.413 9.372 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.039 -10.277 7.288 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.926 -8.923 7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.673 -10.699 8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.157 -9.744 9.622 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.550 -11.477 10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.139 -12.354 7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.901 -13.948 7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.663 -13.463 10.200 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.297 -14.561 8.865 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.705 -6.489 9.325 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.819 -6.058 10.170 1.00 0.00 C ATOM 1551 C ASN A 97 -9.032 -5.566 9.364 1.00 0.00 C ATOM 1552 O ASN A 97 -10.093 -5.310 9.934 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.333 -4.966 11.143 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.123 -4.925 12.445 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -8.889 -5.834 12.773 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -7.908 -3.907 13.258 1.00 0.00 N ATOM 0 H ASN A 97 -5.895 -5.871 9.375 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.160 -6.929 10.729 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.280 -5.134 11.370 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.403 -3.995 10.653 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.377 -3.869 14.163 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.273 -3.158 12.981 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.899 -5.417 8.043 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.889 -4.828 7.140 1.00 0.00 C ATOM 1565 C LEU A 98 -10.451 -5.844 6.144 1.00 0.00 C ATOM 1566 O LEU A 98 -11.352 -5.504 5.372 1.00 0.00 O ATOM 1567 CB LEU A 98 -9.268 -3.654 6.422 1.00 0.00 C ATOM 1568 CG LEU A 98 -9.296 -2.348 7.213 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -10.679 -1.720 7.400 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -8.533 -2.317 8.534 1.00 0.00 C ATOM 0 H LEU A 98 -8.057 -5.719 7.552 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.735 -4.489 7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.233 -3.897 6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.789 -3.504 5.477 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.729 -1.724 6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.585 -0.798 7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.112 -1.498 6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.326 -2.416 7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.636 -1.333 8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.939 -3.073 9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.479 -2.523 8.350 1.00 0.00 H new ATOM 1582 N PHE A 99 -9.992 -7.096 6.211 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.558 -8.250 5.498 1.00 0.00 C ATOM 1584 C PHE A 99 -12.090 -8.274 5.616 1.00 0.00 C ATOM 1585 O PHE A 99 -12.791 -8.670 4.684 1.00 0.00 O ATOM 1586 CB PHE A 99 -9.992 -9.551 6.101 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.656 -10.047 5.571 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.623 -9.159 5.213 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.433 -11.434 5.466 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.387 -9.652 4.760 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -7.202 -11.924 4.996 1.00 0.00 C ATOM 1592 CZ PHE A 99 -6.179 -11.035 4.643 1.00 0.00 C ATOM 0 H PHE A 99 -9.186 -7.346 6.784 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.288 -8.168 4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.895 -9.409 7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.728 -10.340 5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.781 -8.093 5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.213 -12.126 5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.595 -8.965 4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.045 -12.989 4.907 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.234 -11.412 4.282 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.618 -7.810 6.754 1.00 0.00 N ATOM 1603 CA HIS A 100 -14.032 -7.861 7.086 1.00 0.00 C ATOM 1604 C HIS A 100 -14.582 -6.469 7.416 1.00 0.00 C ATOM 1605 O HIS A 100 -15.397 -6.296 8.322 1.00 0.00 O ATOM 1606 CB HIS A 100 -14.254 -8.920 8.177 1.00 0.00 C ATOM 1607 CG HIS A 100 -13.491 -10.209 7.948 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -13.589 -11.063 6.864 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -12.456 -10.656 8.726 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -12.650 -12.018 7.011 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -11.937 -11.798 8.125 1.00 0.00 N ATOM 0 H HIS A 100 -12.052 -7.378 7.484 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.615 -8.176 6.221 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.960 -8.502 9.140 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.319 -9.146 8.239 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -12.106 -10.203 9.642 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.494 -12.842 6.330 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.160 -12.362 8.468 1.00 0.00 H new ATOM 1619 N TYR A 101 -14.128 -5.453 6.685 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.639 -4.093 6.791 1.00 0.00 C ATOM 1621 C TYR A 101 -16.041 -3.994 6.207 1.00 0.00 C ATOM 1622 O TYR A 101 -16.325 -4.614 5.182 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.695 -3.188 6.000 1.00 0.00 C ATOM 1624 CG TYR A 101 -14.150 -1.748 5.853 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -14.426 -0.960 6.986 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -14.321 -1.201 4.569 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.886 0.362 6.843 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -14.724 0.136 4.420 1.00 0.00 C ATOM 1629 CZ TYR A 101 -15.020 0.925 5.553 1.00 0.00 C ATOM 1630 OH TYR A 101 -15.251 2.249 5.371 1.00 0.00 O ATOM 0 H TYR A 101 -13.385 -5.555 5.994 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.690 -3.796 7.838 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.719 -3.196 6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.560 -3.612 5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -14.284 -1.374 7.973 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.142 -1.810 3.695 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -15.136 0.945 7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -14.808 0.564 3.432 1.00 0.00 H new ATOM 0 HH TYR A 101 -14.848 2.756 6.107 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.879 -3.130 6.784 1.00 0.00 N ATOM 1641 CA LYS A 102 -18.170 -2.744 6.222 1.00 0.00 C ATOM 1642 C LYS A 102 -18.358 -1.234 6.282 1.00 0.00 C ATOM 1643 O LYS A 102 -18.686 -0.625 5.266 1.00 0.00 O ATOM 1644 CB LYS A 102 -19.307 -3.520 6.909 1.00 0.00 C ATOM 1645 CG LYS A 102 -19.474 -3.244 8.414 1.00 0.00 C ATOM 1646 CD LYS A 102 -20.370 -4.245 9.143 1.00 0.00 C ATOM 1647 CE LYS A 102 -21.771 -4.412 8.546 1.00 0.00 C ATOM 1648 NZ LYS A 102 -22.461 -5.576 9.137 1.00 0.00 N ATOM 0 H LYS A 102 -16.673 -2.672 7.672 1.00 0.00 H new ATOM 0 HA LYS A 102 -18.196 -3.014 5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -20.244 -3.281 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.133 -4.587 6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.490 -3.247 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -19.886 -2.243 8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.875 -5.216 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.469 -3.932 10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -22.356 -3.509 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.698 -4.538 7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.408 -5.668 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.912 -6.439 8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -22.550 -5.442 10.164 1.00 0.00 H new ATOM 1662 N GLY A 103 -18.142 -0.606 7.441 1.00 0.00 N ATOM 1663 CA GLY A 103 -18.624 0.747 7.676 1.00 0.00 C ATOM 1664 C GLY A 103 -20.119 0.820 7.349 1.00 0.00 C ATOM 1665 O GLY A 103 -20.916 0.063 7.904 1.00 0.00 O ATOM 0 H GLY A 103 -17.637 -1.016 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -18.454 1.030 8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.071 1.454 7.058 1.00 0.00 H new ATOM 1669 N HIS A 104 -20.507 1.744 6.475 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.888 1.995 6.069 1.00 0.00 C ATOM 1671 C HIS A 104 -21.990 1.949 4.540 1.00 0.00 C ATOM 1672 O HIS A 104 -20.973 2.137 3.866 1.00 0.00 O ATOM 1673 CB HIS A 104 -22.310 3.372 6.599 1.00 0.00 C ATOM 1674 CG HIS A 104 -22.617 3.419 8.076 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -23.784 3.872 8.650 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -21.766 3.081 9.090 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -23.632 3.802 9.984 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -22.430 3.293 10.298 1.00 0.00 N ATOM 0 H HIS A 104 -19.842 2.363 6.011 1.00 0.00 H new ATOM 0 HA HIS A 104 -22.550 1.232 6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -21.515 4.086 6.385 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -23.191 3.702 6.049 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.757 2.714 8.976 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -24.375 4.113 10.704 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -22.073 3.100 11.234 1.00 0.00 H new ATOM 1686 N PRO A 105 -23.191 1.753 3.972 1.00 0.00 N ATOM 1687 CA PRO A 105 -23.390 1.880 2.543 1.00 0.00 C ATOM 1688 C PRO A 105 -23.274 3.341 2.114 1.00 0.00 C ATOM 1689 O PRO A 105 -23.217 4.267 2.927 1.00 0.00 O ATOM 1690 CB PRO A 105 -24.793 1.344 2.263 1.00 0.00 C ATOM 1691 CG PRO A 105 -25.540 1.653 3.563 1.00 0.00 C ATOM 1692 CD PRO A 105 -24.460 1.515 4.639 1.00 0.00 C ATOM 0 HA PRO A 105 -22.636 1.326 1.984 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -25.251 1.838 1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -24.782 0.276 2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -25.968 2.655 3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -26.362 0.957 3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -24.618 2.233 5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -24.483 0.522 5.089 1.00 0.00 H new ATOM 1700 N ASP A 106 -23.357 3.561 0.814 1.00 0.00 N ATOM 1701 CA ASP A 106 -23.166 4.823 0.124 1.00 0.00 C ATOM 1702 C ASP A 106 -24.388 5.088 -0.759 1.00 0.00 C ATOM 1703 O ASP A 106 -25.061 4.130 -1.144 1.00 0.00 O ATOM 1704 CB ASP A 106 -21.904 4.692 -0.729 1.00 0.00 C ATOM 1705 CG ASP A 106 -20.662 5.115 0.050 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -20.089 4.272 0.780 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -20.310 6.308 -0.028 1.00 0.00 O ATOM 0 H ASP A 106 -23.576 2.805 0.165 1.00 0.00 H new ATOM 0 HA ASP A 106 -23.055 5.652 0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.793 3.660 -1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -22.002 5.307 -1.624 1.00 0.00 H new ATOM 1712 N PRO A 107 -24.701 6.345 -1.116 1.00 0.00 N ATOM 1713 CA PRO A 107 -25.955 6.690 -1.786 1.00 0.00 C ATOM 1714 C PRO A 107 -26.123 6.050 -3.165 1.00 0.00 C ATOM 1715 O PRO A 107 -27.230 5.660 -3.537 1.00 0.00 O ATOM 1716 CB PRO A 107 -25.986 8.220 -1.869 1.00 0.00 C ATOM 1717 CG PRO A 107 -24.550 8.663 -1.580 1.00 0.00 C ATOM 1718 CD PRO A 107 -23.985 7.542 -0.717 1.00 0.00 C ATOM 0 HA PRO A 107 -26.793 6.294 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -26.311 8.555 -2.854 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -26.682 8.640 -1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -23.978 8.786 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -24.525 9.620 -1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -22.912 7.428 -0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -24.131 7.751 0.343 1.00 0.00 H new ATOM 1726 N LEU A 108 -25.036 5.955 -3.928 1.00 0.00 N ATOM 1727 CA LEU A 108 -25.009 5.400 -5.282 1.00 0.00 C ATOM 1728 C LEU A 108 -24.205 4.108 -5.299 1.00 0.00 C ATOM 1729 O LEU A 108 -24.631 3.082 -5.832 1.00 0.00 O ATOM 1730 CB LEU A 108 -24.430 6.391 -6.309 1.00 0.00 C ATOM 1731 CG LEU A 108 -23.321 7.352 -5.848 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -22.313 7.611 -6.973 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -23.924 8.681 -5.406 1.00 0.00 C ATOM 0 H LEU A 108 -24.120 6.272 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 108 -26.041 5.198 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -24.042 5.813 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -25.254 6.993 -6.692 1.00 0.00 H new ATOM 0 HG LEU A 108 -22.804 6.884 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -21.540 8.294 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -21.855 6.669 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -22.826 8.055 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -23.128 9.352 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -24.462 9.132 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -24.614 8.511 -4.579 1.00 0.00 H new ATOM 1745 N LYS A 109 -23.026 4.155 -4.688 1.00 0.00 N ATOM 1746 CA LYS A 109 -22.102 3.036 -4.689 1.00 0.00 C ATOM 1747 C LYS A 109 -22.693 1.875 -3.896 1.00 0.00 C ATOM 1748 O LYS A 109 -22.341 0.728 -4.159 1.00 0.00 O ATOM 1749 CB LYS A 109 -20.736 3.469 -4.131 1.00 0.00 C ATOM 1750 CG LYS A 109 -20.249 4.827 -4.666 1.00 0.00 C ATOM 1751 CD LYS A 109 -19.914 4.856 -6.159 1.00 0.00 C ATOM 1752 CE LYS A 109 -18.639 4.067 -6.439 1.00 0.00 C ATOM 1753 NZ LYS A 109 -18.119 4.357 -7.782 1.00 0.00 N ATOM 0 H LYS A 109 -22.688 4.972 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 109 -21.944 2.698 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -20.797 3.518 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -19.996 2.707 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -21.017 5.574 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -19.363 5.124 -4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -20.741 4.436 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -19.790 5.887 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.884 4.314 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -18.841 3.000 -6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.252 3.807 -7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.832 4.098 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.905 5.372 -7.860 1.00 0.00 H new ATOM 1767 N GLY A 110 -23.628 2.132 -2.978 1.00 0.00 N ATOM 1768 CA GLY A 110 -24.151 1.135 -2.068 1.00 0.00 C ATOM 1769 C GLY A 110 -22.980 0.615 -1.267 1.00 0.00 C ATOM 1770 O GLY A 110 -22.361 1.365 -0.521 1.00 0.00 O ATOM 0 H GLY A 110 -24.043 3.055 -2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -24.905 1.569 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -24.633 0.326 -2.617 1.00 0.00 H new ATOM 1774 N ASP A 111 -22.625 -0.643 -1.445 1.00 0.00 N ATOM 1775 CA ASP A 111 -21.501 -1.247 -0.746 1.00 0.00 C ATOM 1776 C ASP A 111 -20.242 -1.366 -1.598 1.00 0.00 C ATOM 1777 O ASP A 111 -19.233 -1.829 -1.074 1.00 0.00 O ATOM 1778 CB ASP A 111 -21.911 -2.575 -0.111 1.00 0.00 C ATOM 1779 CG ASP A 111 -22.296 -3.621 -1.145 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -21.409 -4.149 -1.854 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -23.517 -3.839 -1.303 1.00 0.00 O ATOM 0 H ASP A 111 -23.108 -1.279 -2.080 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.224 -0.563 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -21.088 -2.954 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -22.752 -2.408 0.562 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.245 -0.918 -2.863 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.141 -1.173 -3.785 1.00 0.00 C ATOM 1788 C ALA A 112 -17.806 -0.678 -3.228 1.00 0.00 C ATOM 1789 O ALA A 112 -16.791 -1.344 -3.391 1.00 0.00 O ATOM 1790 CB ALA A 112 -19.420 -0.516 -5.140 1.00 0.00 C ATOM 0 H ALA A 112 -21.008 -0.374 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.066 -2.253 -3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -18.590 -0.714 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.338 -0.926 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -19.531 0.560 -5.007 1.00 0.00 H new ATOM 1796 N LEU A 113 -17.805 0.482 -2.568 1.00 0.00 N ATOM 1797 CA LEU A 113 -16.627 1.078 -1.953 1.00 0.00 C ATOM 1798 C LEU A 113 -16.069 0.161 -0.872 1.00 0.00 C ATOM 1799 O LEU A 113 -14.904 -0.232 -0.919 1.00 0.00 O ATOM 1800 CB LEU A 113 -16.991 2.467 -1.385 1.00 0.00 C ATOM 1801 CG LEU A 113 -16.308 3.653 -2.075 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -16.435 3.643 -3.598 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -16.958 4.928 -1.531 1.00 0.00 C ATOM 0 H LEU A 113 -18.647 1.044 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.848 1.206 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -18.071 2.599 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.735 2.487 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.241 3.594 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -15.926 4.514 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.981 2.735 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -17.489 3.673 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -16.498 5.799 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -18.025 4.917 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -16.814 4.978 -0.452 1.00 0.00 H new ATOM 1815 N ASN A 114 -16.877 -0.143 0.146 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.404 -0.940 1.271 1.00 0.00 C ATOM 1817 C ASN A 114 -16.133 -2.393 0.901 1.00 0.00 C ATOM 1818 O ASN A 114 -15.179 -2.977 1.412 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.358 -0.846 2.459 1.00 0.00 C ATOM 1820 CG ASN A 114 -18.688 -1.566 2.300 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -18.753 -2.782 2.430 1.00 0.00 O ATOM 1822 ND2 ASN A 114 -19.769 -0.852 2.063 1.00 0.00 N ATOM 0 H ASN A 114 -17.852 0.149 0.211 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.446 -0.511 1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -16.853 -1.246 3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -17.558 0.207 2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -20.677 -1.311 1.985 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -19.699 0.160 1.957 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.905 -2.946 -0.029 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.625 -4.248 -0.612 1.00 0.00 C ATOM 1831 C LYS A 115 -15.278 -4.207 -1.308 1.00 0.00 C ATOM 1832 O LYS A 115 -14.440 -5.041 -1.000 1.00 0.00 O ATOM 1833 CB LYS A 115 -17.745 -4.704 -1.556 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.501 -6.143 -2.048 1.00 0.00 C ATOM 1835 CD LYS A 115 -16.696 -6.267 -3.355 1.00 0.00 C ATOM 1836 CE LYS A 115 -17.564 -6.114 -4.606 1.00 0.00 C ATOM 1837 NZ LYS A 115 -18.420 -7.301 -4.805 1.00 0.00 N ATOM 0 H LYS A 115 -17.744 -2.500 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.584 -4.989 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.704 -4.650 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.803 -4.029 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.978 -6.693 -1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.466 -6.629 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.913 -5.508 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.200 -7.237 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.186 -5.224 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.928 -5.970 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -18.817 -7.286 -5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.853 -8.163 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.194 -7.291 -4.111 1.00 0.00 H new ATOM 1851 N ALA A 116 -15.037 -3.255 -2.213 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.771 -3.184 -2.933 1.00 0.00 C ATOM 1853 C ALA A 116 -12.592 -3.110 -1.961 1.00 0.00 C ATOM 1854 O ALA A 116 -11.563 -3.729 -2.213 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.763 -1.997 -3.898 1.00 0.00 C ATOM 0 H ALA A 116 -15.704 -2.525 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.662 -4.096 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.809 -1.963 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.572 -2.109 -4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.902 -1.072 -3.338 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.738 -2.437 -0.819 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.763 -2.550 0.257 1.00 0.00 C ATOM 1863 C VAL A 117 -11.609 -4.010 0.712 1.00 0.00 C ATOM 1864 O VAL A 117 -10.465 -4.460 0.830 1.00 0.00 O ATOM 1865 CB VAL A 117 -12.124 -1.606 1.418 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -11.323 -1.925 2.679 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -11.907 -0.148 1.032 1.00 0.00 C ATOM 0 H VAL A 117 -13.519 -1.812 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.790 -2.236 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.181 -1.764 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.607 -1.236 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.531 -2.948 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.258 -1.819 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.171 0.494 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -10.860 0.007 0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.535 0.099 0.176 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.698 -4.691 1.110 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.648 -5.910 1.920 1.00 0.00 C ATOM 1879 C ARG A 118 -11.738 -6.918 1.235 1.00 0.00 C ATOM 1880 O ARG A 118 -10.812 -7.431 1.857 1.00 0.00 O ATOM 1881 CB ARG A 118 -14.075 -6.437 2.254 1.00 0.00 C ATOM 1882 CG ARG A 118 -14.655 -7.522 1.325 1.00 0.00 C ATOM 1883 CD ARG A 118 -16.112 -7.905 1.610 1.00 0.00 C ATOM 1884 NE ARG A 118 -16.260 -9.178 2.339 1.00 0.00 N ATOM 1885 CZ ARG A 118 -16.732 -10.316 1.807 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -16.831 -10.489 0.502 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -17.130 -11.313 2.584 1.00 0.00 N ATOM 0 H ARG A 118 -13.647 -4.402 0.873 1.00 0.00 H new ATOM 0 HA ARG A 118 -12.212 -5.701 2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -14.061 -6.833 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.759 -5.588 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -14.581 -7.175 0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -14.037 -8.416 1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -16.581 -7.109 2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -16.652 -7.973 0.665 1.00 0.00 H new ATOM 0 HE ARG A 118 -15.983 -9.195 3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -16.544 -9.745 -0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -17.194 -11.367 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -17.079 -11.220 3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -17.487 -12.173 2.168 1.00 0.00 H new ATOM 1901 N GLU A 119 -11.976 -7.112 -0.059 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.359 -8.150 -0.864 1.00 0.00 C ATOM 1903 C GLU A 119 -9.894 -7.831 -1.093 1.00 0.00 C ATOM 1904 O GLU A 119 -9.031 -8.700 -0.977 1.00 0.00 O ATOM 1905 CB GLU A 119 -12.052 -8.232 -2.230 1.00 0.00 C ATOM 1906 CG GLU A 119 -13.579 -8.153 -2.186 1.00 0.00 C ATOM 1907 CD GLU A 119 -14.265 -9.333 -1.496 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -13.603 -10.154 -0.821 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -15.516 -9.345 -1.562 1.00 0.00 O ATOM 0 H GLU A 119 -12.625 -6.530 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.456 -9.098 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.679 -7.423 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.765 -9.167 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.866 -7.235 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.954 -8.080 -3.207 1.00 0.00 H new ATOM 1916 N THR A 120 -9.622 -6.581 -1.460 1.00 0.00 N ATOM 1917 CA THR A 120 -8.326 -6.132 -1.925 1.00 0.00 C ATOM 1918 C THR A 120 -7.269 -6.372 -0.842 1.00 0.00 C ATOM 1919 O THR A 120 -6.127 -6.679 -1.180 1.00 0.00 O ATOM 1920 CB THR A 120 -8.492 -4.671 -2.366 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.454 -4.647 -3.387 1.00 0.00 O ATOM 1922 CG2 THR A 120 -7.273 -4.025 -3.002 1.00 0.00 C ATOM 0 H THR A 120 -10.320 -5.838 -1.439 1.00 0.00 H new ATOM 0 HA THR A 120 -7.963 -6.695 -2.785 1.00 0.00 H new ATOM 0 HB THR A 120 -8.731 -4.129 -1.451 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.178 -4.034 -3.140 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.507 -2.995 -3.273 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.445 -4.035 -2.293 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.992 -4.581 -3.897 1.00 0.00 H new ATOM 1930 N ALA A 121 -7.636 -6.333 0.448 1.00 0.00 N ATOM 1931 CA ALA A 121 -6.711 -6.659 1.515 1.00 0.00 C ATOM 1932 C ALA A 121 -6.225 -8.114 1.477 1.00 0.00 C ATOM 1933 O ALA A 121 -5.055 -8.343 1.782 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.361 -6.303 2.850 1.00 0.00 C ATOM 0 H ALA A 121 -8.571 -6.077 0.766 1.00 0.00 H new ATOM 0 HA ALA A 121 -5.807 -6.066 1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.676 -6.543 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -7.590 -5.237 2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.282 -6.874 2.970 1.00 0.00 H new ATOM 1940 N HIS A 122 -7.060 -9.081 1.088 1.00 0.00 N ATOM 1941 CA HIS A 122 -6.640 -10.476 0.947 1.00 0.00 C ATOM 1942 C HIS A 122 -5.538 -10.567 -0.116 1.00 0.00 C ATOM 1943 O HIS A 122 -4.470 -11.121 0.146 1.00 0.00 O ATOM 1944 CB HIS A 122 -7.816 -11.391 0.568 1.00 0.00 C ATOM 1945 CG HIS A 122 -8.930 -11.511 1.580 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -9.251 -12.626 2.325 1.00 0.00 N ATOM 1947 CD2 HIS A 122 -9.908 -10.582 1.800 1.00 0.00 C ATOM 1948 CE1 HIS A 122 -10.414 -12.379 2.951 1.00 0.00 C ATOM 1949 NE2 HIS A 122 -10.859 -11.145 2.650 1.00 0.00 N ATOM 0 H HIS A 122 -8.042 -8.919 0.863 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.259 -10.817 1.910 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.242 -11.029 -0.367 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.423 -12.389 0.374 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.939 -9.585 1.387 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -10.921 -13.074 3.604 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -11.720 -10.709 2.978 1.00 0.00 H new ATOM 1957 N GLU A 123 -5.772 -9.966 -1.291 1.00 0.00 N ATOM 1958 CA GLU A 123 -4.805 -9.895 -2.389 1.00 0.00 C ATOM 1959 C GLU A 123 -3.506 -9.217 -1.937 1.00 0.00 C ATOM 1960 O GLU A 123 -2.427 -9.610 -2.377 1.00 0.00 O ATOM 1961 CB GLU A 123 -5.416 -9.144 -3.593 1.00 0.00 C ATOM 1962 CG GLU A 123 -6.132 -10.085 -4.571 1.00 0.00 C ATOM 1963 CD GLU A 123 -6.807 -9.382 -5.764 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -6.795 -8.138 -5.897 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -7.372 -10.094 -6.634 1.00 0.00 O ATOM 0 H GLU A 123 -6.657 -9.507 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.564 -10.913 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -6.122 -8.397 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -4.627 -8.608 -4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.410 -10.807 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.888 -10.649 -4.024 1.00 0.00 H new ATOM 1972 N THR A 124 -3.589 -8.220 -1.053 1.00 0.00 N ATOM 1973 CA THR A 124 -2.422 -7.555 -0.500 1.00 0.00 C ATOM 1974 C THR A 124 -1.626 -8.493 0.414 1.00 0.00 C ATOM 1975 O THR A 124 -0.413 -8.572 0.252 1.00 0.00 O ATOM 1976 CB THR A 124 -2.840 -6.237 0.170 1.00 0.00 C ATOM 1977 OG1 THR A 124 -3.487 -5.399 -0.768 1.00 0.00 O ATOM 1978 CG2 THR A 124 -1.661 -5.455 0.745 1.00 0.00 C ATOM 0 H THR A 124 -4.475 -7.855 -0.703 1.00 0.00 H new ATOM 0 HA THR A 124 -1.735 -7.293 -1.305 1.00 0.00 H new ATOM 0 HB THR A 124 -3.504 -6.516 0.988 1.00 0.00 H new ATOM 0 HG1 THR A 124 -4.379 -5.755 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 124 -2.024 -4.535 1.204 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.155 -6.060 1.497 1.00 0.00 H new ATOM 0 HG23 THR A 124 -0.962 -5.210 -0.055 1.00 0.00 H new ATOM 1986 N ILE A 125 -2.245 -9.200 1.364 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.511 -10.073 2.290 1.00 0.00 C ATOM 1988 C ILE A 125 -0.807 -11.209 1.542 1.00 0.00 C ATOM 1989 O ILE A 125 0.327 -11.559 1.896 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.453 -10.560 3.413 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -2.934 -9.403 4.299 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.857 -11.652 4.314 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -1.835 -8.500 4.843 1.00 0.00 C ATOM 0 H ILE A 125 -3.254 -9.186 1.514 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.714 -9.505 2.770 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.294 -11.000 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.632 -8.793 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.490 -9.818 5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.586 -11.934 5.074 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.605 -12.524 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.956 -11.273 4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.279 -7.715 5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.147 -9.089 5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.291 -8.049 4.013 1.00 0.00 H new ATOM 2005 N SER A 126 -1.401 -11.710 0.460 1.00 0.00 N ATOM 2006 CA SER A 126 -0.751 -12.672 -0.424 1.00 0.00 C ATOM 2007 C SER A 126 0.518 -12.143 -1.090 1.00 0.00 C ATOM 2008 O SER A 126 1.312 -12.961 -1.539 1.00 0.00 O ATOM 2009 CB SER A 126 -1.747 -13.146 -1.478 1.00 0.00 C ATOM 2010 OG SER A 126 -2.821 -13.801 -0.838 1.00 0.00 O ATOM 0 H SER A 126 -2.347 -11.459 0.173 1.00 0.00 H new ATOM 0 HA SER A 126 -0.430 -13.505 0.201 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.115 -12.298 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.259 -13.822 -2.180 1.00 0.00 H new ATOM 0 HG SER A 126 -3.437 -13.135 -0.468 1.00 0.00 H new ATOM 2016 N ALA A 127 0.744 -10.827 -1.119 1.00 0.00 N ATOM 2017 CA ALA A 127 1.970 -10.216 -1.603 1.00 0.00 C ATOM 2018 C ALA A 127 2.882 -9.803 -0.452 1.00 0.00 C ATOM 2019 O ALA A 127 4.083 -9.981 -0.600 1.00 0.00 O ATOM 2020 CB ALA A 127 1.614 -9.003 -2.456 1.00 0.00 C ATOM 0 H ALA A 127 0.057 -10.145 -0.797 1.00 0.00 H new ATOM 0 HA ALA A 127 2.513 -10.947 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.528 -8.537 -2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.002 -9.319 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.058 -8.285 -1.853 1.00 0.00 H new ATOM 2026 N ILE A 128 2.364 -9.279 0.674 1.00 0.00 N ATOM 2027 CA ILE A 128 3.192 -8.816 1.799 1.00 0.00 C ATOM 2028 C ILE A 128 4.178 -9.916 2.212 1.00 0.00 C ATOM 2029 O ILE A 128 5.373 -9.652 2.358 1.00 0.00 O ATOM 2030 CB ILE A 128 2.331 -8.319 2.991 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.582 -7.017 2.627 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.219 -8.101 4.228 1.00 0.00 C ATOM 2033 CD1 ILE A 128 0.834 -6.385 3.808 1.00 0.00 C ATOM 0 H ILE A 128 1.362 -9.166 0.828 1.00 0.00 H new ATOM 0 HA ILE A 128 3.768 -7.952 1.468 1.00 0.00 H new ATOM 0 HB ILE A 128 1.587 -9.082 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.297 -6.295 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.870 -7.229 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.606 -7.752 5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.700 -9.040 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.981 -7.356 4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.333 -5.476 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.094 -7.089 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.543 -6.141 4.599 1.00 0.00 H new ATOM 2045 N PHE A 129 3.677 -11.134 2.419 1.00 0.00 N ATOM 2046 CA PHE A 129 4.520 -12.269 2.771 1.00 0.00 C ATOM 2047 C PHE A 129 4.973 -12.998 1.515 1.00 0.00 C ATOM 2048 O PHE A 129 6.099 -13.489 1.478 1.00 0.00 O ATOM 2049 CB PHE A 129 3.790 -13.176 3.766 1.00 0.00 C ATOM 2050 CG PHE A 129 3.480 -12.423 5.045 1.00 0.00 C ATOM 2051 CD1 PHE A 129 2.278 -11.700 5.163 1.00 0.00 C ATOM 2052 CD2 PHE A 129 4.455 -12.328 6.057 1.00 0.00 C ATOM 2053 CE1 PHE A 129 2.064 -10.865 6.272 1.00 0.00 C ATOM 2054 CE2 PHE A 129 4.227 -11.507 7.174 1.00 0.00 C ATOM 2055 CZ PHE A 129 3.038 -10.769 7.278 1.00 0.00 C ATOM 0 H PHE A 129 2.684 -11.357 2.348 1.00 0.00 H new ATOM 0 HA PHE A 129 5.424 -11.920 3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.866 -13.544 3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.405 -14.048 3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 129 1.519 -11.787 4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 129 5.376 -12.885 5.974 1.00 0.00 H new ATOM 0 HE1 PHE A 129 1.149 -10.296 6.351 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.970 -11.444 7.956 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.873 -10.128 8.131 1.00 0.00 H new ATOM 2065 N SER A 130 4.112 -13.055 0.491 1.00 0.00 N ATOM 2066 CA SER A 130 4.339 -13.788 -0.743 1.00 0.00 C ATOM 2067 C SER A 130 4.736 -15.237 -0.440 1.00 0.00 C ATOM 2068 O SER A 130 5.559 -15.821 -1.139 1.00 0.00 O ATOM 2069 CB SER A 130 5.324 -12.972 -1.580 1.00 0.00 C ATOM 2070 OG SER A 130 5.154 -13.155 -2.970 1.00 0.00 O ATOM 0 H SER A 130 3.213 -12.574 0.507 1.00 0.00 H new ATOM 0 HA SER A 130 3.438 -13.900 -1.345 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.206 -11.915 -1.342 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.342 -13.249 -1.305 1.00 0.00 H new ATOM 0 HG SER A 130 5.808 -12.609 -3.454 1.00 0.00 H new