USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 962 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 96 TYR OH : rot -164:sc= 0.19 USER MOD Set 1.2: A 98 GLN : amide:sc= -2.28! X(o=-2.1!,f=-2.4) USER MOD Set 2.1: A 54 TYR OH : rot 130:sc= -0.369 USER MOD Set 2.2: A 62 LYS NZ :NH3+ -148:sc= 0.287 (180deg=0) USER MOD Set 3.1: A 21 TYR OH : rot -153:sc= -0.492 USER MOD Set 3.2: A 26 SER OG : rot 34:sc= 0.801 USER MOD Set 4.1: A 18 SER OG : rot 180:sc= -0.19 USER MOD Set 4.2: A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.3: A 128 THR OG1 : rot -50:sc= 0.0205 USER MOD Single : A 16 GLN : amide:sc= -11.3! C(o=-11!,f=-18!) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.321 F(o=-5.7!,f=-0.32) USER MOD Single : A 24 GLN : amide:sc= -0.0253 X(o=-0.025,f=-0.33) USER MOD Single : A 27 THR OG1 : rot 170:sc=-0.00285 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.715 K(o=-0.71,f=-2.1!) USER MOD Single : A 46 THR OG1 : rot 158:sc= -0.401 USER MOD Single : A 47 SER OG : rot 30:sc= 0.209 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 65 THR OG1 : rot 118:sc= 0.409 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -136:sc= -1.4 (180deg=-3.69!) USER MOD Single : A 71 ASN : amide:sc= -1.89 K(o=-1.9,f=-7.7!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 75 HIS : no HD1:sc= -0.0721 X(o=-0.072,f=-0.094) USER MOD Single : A 77 ASN : amide:sc= -4.01! C(o=-4!,f=-7.4!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 3:sc= 0.714! USER MOD Single : A 119 ASN : amide:sc= -0.631 K(o=-0.63,f=-2.1!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -4.19! C(o=-4.2!,f=-7.4!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot -46:sc= 0.00174 USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 12 17.742 8.972 1.905 1.00 0.00 N ATOM 131 CA LEU A 12 16.414 9.494 1.604 1.00 0.00 C ATOM 132 C LEU A 12 15.420 9.119 2.699 1.00 0.00 C ATOM 133 O LEU A 12 14.319 9.663 2.765 1.00 0.00 O ATOM 134 CB LEU A 12 15.929 8.960 0.255 1.00 0.00 C ATOM 135 CG LEU A 12 16.794 9.310 -0.956 1.00 0.00 C ATOM 136 CD1 LEU A 12 16.691 8.225 -2.017 1.00 0.00 C ATOM 137 CD2 LEU A 12 16.389 10.660 -1.529 1.00 0.00 C ATOM 0 HA LEU A 12 16.480 10.581 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.855 7.875 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.922 9.338 0.078 1.00 0.00 H new ATOM 0 HG LEU A 12 17.832 9.373 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 12 17.313 8.491 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 12 17.032 7.276 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.654 8.129 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.015 10.892 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.345 10.625 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.516 11.431 -0.769 1.00 0.00 H new ATOM 149 N GLY A 13 15.819 8.187 3.559 1.00 0.00 N ATOM 150 CA GLY A 13 14.953 7.757 4.641 1.00 0.00 C ATOM 151 C GLY A 13 14.543 6.303 4.513 1.00 0.00 C ATOM 152 O GLY A 13 14.967 5.611 3.588 1.00 0.00 O ATOM 0 H GLY A 13 16.726 7.722 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.465 7.905 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.061 8.383 4.659 1.00 0.00 H new ATOM 156 N ARG A 14 13.718 5.838 5.446 1.00 0.00 N ATOM 157 CA ARG A 14 13.253 4.457 5.435 1.00 0.00 C ATOM 158 C ARG A 14 11.761 4.382 5.747 1.00 0.00 C ATOM 159 O ARG A 14 11.205 5.277 6.384 1.00 0.00 O ATOM 160 CB ARG A 14 14.039 3.624 6.449 1.00 0.00 C ATOM 161 CG ARG A 14 13.888 4.108 7.882 1.00 0.00 C ATOM 162 CD ARG A 14 15.019 3.600 8.763 1.00 0.00 C ATOM 163 NE ARG A 14 16.324 4.068 8.304 1.00 0.00 N ATOM 164 CZ ARG A 14 17.476 3.554 8.718 1.00 0.00 C ATOM 165 NH1 ARG A 14 17.486 2.560 9.595 1.00 0.00 N ATOM 166 NH2 ARG A 14 18.623 4.034 8.253 1.00 0.00 N ATOM 0 H ARG A 14 13.358 6.398 6.219 1.00 0.00 H new ATOM 0 HA ARG A 14 13.418 4.053 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.709 2.587 6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.095 3.639 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.873 5.198 7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.933 3.769 8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.856 3.931 9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.008 2.510 8.774 1.00 0.00 H new ATOM 0 HE ARG A 14 16.352 4.832 7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.607 2.188 9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 14 18.373 2.167 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 14 18.620 4.798 7.577 1.00 0.00 H new ATOM 0 HH22 ARG A 14 19.508 3.639 8.571 1.00 0.00 H new ATOM 180 N ILE A 15 11.120 3.310 5.293 1.00 0.00 N ATOM 181 CA ILE A 15 9.694 3.119 5.524 1.00 0.00 C ATOM 182 C ILE A 15 9.429 1.826 6.287 1.00 0.00 C ATOM 183 O ILE A 15 10.066 0.804 6.034 1.00 0.00 O ATOM 184 CB ILE A 15 8.907 3.092 4.201 1.00 0.00 C ATOM 185 CG1 ILE A 15 7.419 2.860 4.471 1.00 0.00 C ATOM 186 CG2 ILE A 15 9.458 2.013 3.280 1.00 0.00 C ATOM 187 CD1 ILE A 15 6.530 3.220 3.301 1.00 0.00 C ATOM 0 H ILE A 15 11.566 2.561 4.763 1.00 0.00 H new ATOM 0 HA ILE A 15 9.355 3.966 6.121 1.00 0.00 H new ATOM 0 HB ILE A 15 9.021 4.057 3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.263 1.812 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.119 3.447 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.892 2.006 2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.507 2.218 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.371 1.041 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.489 3.030 3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.657 4.275 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.803 2.614 2.437 1.00 0.00 H new ATOM 199 N GLN A 16 8.484 1.878 7.220 1.00 0.00 N ATOM 200 CA GLN A 16 8.134 0.710 8.019 1.00 0.00 C ATOM 201 C GLN A 16 6.695 0.279 7.752 1.00 0.00 C ATOM 202 O GLN A 16 5.749 0.950 8.165 1.00 0.00 O ATOM 203 CB GLN A 16 8.322 1.008 9.507 1.00 0.00 C ATOM 204 CG GLN A 16 7.994 -0.170 10.410 1.00 0.00 C ATOM 205 CD GLN A 16 7.695 0.253 11.835 1.00 0.00 C ATOM 206 OE1 GLN A 16 7.201 1.354 12.078 1.00 0.00 O ATOM 207 NE2 GLN A 16 7.993 -0.623 12.788 1.00 0.00 N ATOM 0 H GLN A 16 7.947 2.717 7.441 1.00 0.00 H new ATOM 0 HA GLN A 16 8.798 -0.106 7.733 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.354 1.312 9.681 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.691 1.853 9.782 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.134 -0.705 10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.832 -0.867 10.410 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.401 -1.525 12.542 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.813 -0.394 13.766 1.00 0.00 H new ATOM 216 N PHE A 17 6.538 -0.844 7.060 1.00 0.00 N ATOM 217 CA PHE A 17 5.214 -1.364 6.736 1.00 0.00 C ATOM 218 C PHE A 17 5.129 -2.858 7.035 1.00 0.00 C ATOM 219 O PHE A 17 6.100 -3.593 6.863 1.00 0.00 O ATOM 220 CB PHE A 17 4.888 -1.108 5.264 1.00 0.00 C ATOM 221 CG PHE A 17 5.787 -1.845 4.313 1.00 0.00 C ATOM 222 CD1 PHE A 17 7.026 -1.330 3.969 1.00 0.00 C ATOM 223 CD2 PHE A 17 5.392 -3.054 3.763 1.00 0.00 C ATOM 224 CE1 PHE A 17 7.856 -2.006 3.095 1.00 0.00 C ATOM 225 CE2 PHE A 17 6.218 -3.736 2.889 1.00 0.00 C ATOM 226 CZ PHE A 17 7.451 -3.210 2.554 1.00 0.00 C ATOM 0 H PHE A 17 7.311 -1.412 6.712 1.00 0.00 H new ATOM 0 HA PHE A 17 4.485 -0.844 7.358 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.855 -1.398 5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.960 -0.039 5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.347 -0.388 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.428 -3.468 4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.820 -1.593 2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.900 -4.679 2.469 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.097 -3.740 1.870 1.00 0.00 H new ATOM 236 N SER A 18 3.958 -3.299 7.486 1.00 0.00 N ATOM 237 CA SER A 18 3.746 -4.704 7.813 1.00 0.00 C ATOM 238 C SER A 18 2.880 -5.383 6.757 1.00 0.00 C ATOM 239 O SER A 18 1.929 -4.793 6.244 1.00 0.00 O ATOM 240 CB SER A 18 3.089 -4.835 9.189 1.00 0.00 C ATOM 241 OG SER A 18 4.064 -4.901 10.215 1.00 0.00 O ATOM 0 H SER A 18 3.143 -2.704 7.633 1.00 0.00 H new ATOM 0 HA SER A 18 4.718 -5.198 7.833 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.430 -3.984 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.468 -5.730 9.215 1.00 0.00 H new ATOM 0 HG SER A 18 3.619 -4.983 11.084 1.00 0.00 H new ATOM 247 N VAL A 19 3.216 -6.629 6.437 1.00 0.00 N ATOM 248 CA VAL A 19 2.469 -7.391 5.443 1.00 0.00 C ATOM 249 C VAL A 19 1.835 -8.631 6.063 1.00 0.00 C ATOM 250 O VAL A 19 2.484 -9.368 6.804 1.00 0.00 O ATOM 251 CB VAL A 19 3.372 -7.821 4.271 1.00 0.00 C ATOM 252 CG1 VAL A 19 2.587 -8.655 3.270 1.00 0.00 C ATOM 253 CG2 VAL A 19 3.986 -6.603 3.598 1.00 0.00 C ATOM 0 H VAL A 19 4.001 -7.132 6.852 1.00 0.00 H new ATOM 0 HA VAL A 19 1.684 -6.735 5.066 1.00 0.00 H new ATOM 0 HB VAL A 19 4.181 -8.437 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.241 -8.949 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.200 -9.547 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.756 -8.067 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.621 -6.925 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.193 -5.960 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.585 -6.050 4.322 1.00 0.00 H new ATOM 263 N GLY A 20 0.561 -8.854 5.754 1.00 0.00 N ATOM 264 CA GLY A 20 -0.140 -10.007 6.290 1.00 0.00 C ATOM 265 C GLY A 20 -1.410 -10.320 5.523 1.00 0.00 C ATOM 266 O GLY A 20 -2.363 -9.541 5.543 1.00 0.00 O ATOM 0 H GLY A 20 0.002 -8.258 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.520 -10.874 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.386 -9.825 7.336 1.00 0.00 H new ATOM 270 N TYR A 21 -1.423 -11.462 4.845 1.00 0.00 N ATOM 271 CA TYR A 21 -2.584 -11.875 4.065 1.00 0.00 C ATOM 272 C TYR A 21 -3.413 -12.904 4.826 1.00 0.00 C ATOM 273 O TYR A 21 -2.871 -13.791 5.484 1.00 0.00 O ATOM 274 CB TYR A 21 -2.141 -12.453 2.720 1.00 0.00 C ATOM 275 CG TYR A 21 -3.277 -13.027 1.904 1.00 0.00 C ATOM 276 CD1 TYR A 21 -3.649 -14.359 2.036 1.00 0.00 C ATOM 277 CD2 TYR A 21 -3.980 -12.237 1.003 1.00 0.00 C ATOM 278 CE1 TYR A 21 -4.686 -14.888 1.292 1.00 0.00 C ATOM 279 CE2 TYR A 21 -5.019 -12.757 0.256 1.00 0.00 C ATOM 280 CZ TYR A 21 -5.368 -14.083 0.404 1.00 0.00 C ATOM 281 OH TYR A 21 -6.403 -14.606 -0.338 1.00 0.00 O ATOM 0 H TYR A 21 -0.643 -12.118 4.820 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.203 -10.996 3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.649 -11.671 2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.400 -13.233 2.896 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.118 -14.992 2.732 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.709 -11.198 0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.961 -15.926 1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.555 -12.129 -0.440 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.494 -14.102 -1.173 1.00 0.00 H new ATOM 291 N ASN A 22 -4.733 -12.780 4.729 1.00 0.00 N ATOM 292 CA ASN A 22 -5.639 -13.699 5.408 1.00 0.00 C ATOM 293 C ASN A 22 -6.123 -14.788 4.455 1.00 0.00 C ATOM 294 O ASN A 22 -6.349 -14.537 3.271 1.00 0.00 O ATOM 295 CB ASN A 22 -6.837 -12.938 5.980 1.00 0.00 C ATOM 296 CG ASN A 22 -7.562 -13.724 7.055 1.00 0.00 C ATOM 297 OD1 ASN A 22 -8.144 -14.854 6.670 1.00 0.00 O flip ATOM 298 ND2 ASN A 22 -7.598 -13.321 8.217 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.199 -12.052 4.187 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.093 -14.171 6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.497 -11.989 6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.533 -12.703 5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.137 -12.447 8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.089 -13.861 8.929 1.00 0.00 H new ATOM 305 N PHE A 23 -6.280 -15.999 4.980 1.00 0.00 N ATOM 306 CA PHE A 23 -6.736 -17.127 4.177 1.00 0.00 C ATOM 307 C PHE A 23 -8.259 -17.214 4.176 1.00 0.00 C ATOM 308 O PHE A 23 -8.890 -17.211 3.119 1.00 0.00 O ATOM 309 CB PHE A 23 -6.140 -18.433 4.709 1.00 0.00 C ATOM 310 CG PHE A 23 -4.664 -18.562 4.463 1.00 0.00 C ATOM 311 CD1 PHE A 23 -4.173 -18.702 3.175 1.00 0.00 C ATOM 312 CD2 PHE A 23 -3.768 -18.544 5.520 1.00 0.00 C ATOM 313 CE1 PHE A 23 -2.815 -18.822 2.946 1.00 0.00 C ATOM 314 CE2 PHE A 23 -2.409 -18.663 5.297 1.00 0.00 C ATOM 315 CZ PHE A 23 -1.932 -18.801 4.008 1.00 0.00 C ATOM 0 H PHE A 23 -6.098 -16.224 5.958 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.398 -16.971 3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -6.329 -18.499 5.780 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.653 -19.274 4.242 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.859 -18.718 2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.136 -18.436 6.530 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.445 -18.932 1.937 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.721 -18.648 6.129 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.871 -18.892 3.831 1.00 0.00 H new ATOM 325 N GLN A 24 -8.843 -17.290 5.368 1.00 0.00 N ATOM 326 CA GLN A 24 -10.292 -17.378 5.504 1.00 0.00 C ATOM 327 C GLN A 24 -10.984 -16.308 4.667 1.00 0.00 C ATOM 328 O GLN A 24 -11.763 -16.619 3.767 1.00 0.00 O ATOM 329 CB GLN A 24 -10.696 -17.235 6.973 1.00 0.00 C ATOM 330 CG GLN A 24 -10.090 -18.295 7.877 1.00 0.00 C ATOM 331 CD GLN A 24 -10.933 -18.563 9.109 1.00 0.00 C ATOM 332 OE1 GLN A 24 -12.147 -18.749 9.016 1.00 0.00 O ATOM 333 NE2 GLN A 24 -10.293 -18.584 10.272 1.00 0.00 N ATOM 0 H GLN A 24 -8.335 -17.292 6.253 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.607 -18.356 5.141 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.395 -16.250 7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.782 -17.283 7.049 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.970 -19.221 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.094 -17.978 8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.286 -18.425 10.303 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.808 -18.759 11.135 1.00 0.00 H new ATOM 342 N GLU A 25 -10.693 -15.047 4.970 1.00 0.00 N ATOM 343 CA GLU A 25 -11.289 -13.931 4.245 1.00 0.00 C ATOM 344 C GLU A 25 -10.645 -13.768 2.871 1.00 0.00 C ATOM 345 O GLU A 25 -11.184 -13.089 1.997 1.00 0.00 O ATOM 346 CB GLU A 25 -11.141 -12.636 5.046 1.00 0.00 C ATOM 347 CG GLU A 25 -12.212 -12.451 6.108 1.00 0.00 C ATOM 348 CD GLU A 25 -12.167 -11.078 6.749 1.00 0.00 C ATOM 349 OE1 GLU A 25 -11.061 -10.635 7.124 1.00 0.00 O ATOM 350 OE2 GLU A 25 -13.237 -10.447 6.876 1.00 0.00 O ATOM 0 H GLU A 25 -10.049 -14.773 5.712 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.349 -14.146 4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.161 -12.624 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.171 -11.789 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.193 -12.607 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.089 -13.212 6.879 1.00 0.00 H new ATOM 357 N SER A 26 -9.487 -14.396 2.689 1.00 0.00 N ATOM 358 CA SER A 26 -8.766 -14.318 1.424 1.00 0.00 C ATOM 359 C SER A 26 -8.543 -12.866 1.014 1.00 0.00 C ATOM 360 O SER A 26 -8.796 -12.484 -0.130 1.00 0.00 O ATOM 361 CB SER A 26 -9.536 -15.057 0.327 1.00 0.00 C ATOM 362 OG SER A 26 -9.267 -16.448 0.363 1.00 0.00 O ATOM 0 H SER A 26 -9.029 -14.964 3.401 1.00 0.00 H new ATOM 0 HA SER A 26 -7.794 -14.793 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.605 -14.887 0.452 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.261 -14.655 -0.648 1.00 0.00 H new ATOM 0 HG SER A 26 -9.133 -16.731 1.292 1.00 0.00 H new ATOM 368 N THR A 27 -8.069 -12.058 1.957 1.00 0.00 N ATOM 369 CA THR A 27 -7.812 -10.647 1.696 1.00 0.00 C ATOM 370 C THR A 27 -6.416 -10.247 2.159 1.00 0.00 C ATOM 371 O THR A 27 -5.857 -10.853 3.075 1.00 0.00 O ATOM 372 CB THR A 27 -8.850 -9.749 2.396 1.00 0.00 C ATOM 373 OG1 THR A 27 -10.174 -10.200 2.090 1.00 0.00 O ATOM 374 CG2 THR A 27 -8.690 -8.299 1.964 1.00 0.00 C ATOM 0 H THR A 27 -7.855 -12.357 2.909 1.00 0.00 H new ATOM 0 HA THR A 27 -7.888 -10.506 0.618 1.00 0.00 H new ATOM 0 HB THR A 27 -8.685 -9.811 3.472 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.819 -9.732 2.660 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.434 -7.684 2.471 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.691 -7.950 2.225 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.831 -8.223 0.886 1.00 0.00 H new ATOM 382 N LEU A 28 -5.857 -9.224 1.523 1.00 0.00 N ATOM 383 CA LEU A 28 -4.525 -8.742 1.870 1.00 0.00 C ATOM 384 C LEU A 28 -4.608 -7.529 2.792 1.00 0.00 C ATOM 385 O LEU A 28 -5.340 -6.577 2.520 1.00 0.00 O ATOM 386 CB LEU A 28 -3.745 -8.382 0.604 1.00 0.00 C ATOM 387 CG LEU A 28 -2.271 -8.027 0.803 1.00 0.00 C ATOM 388 CD1 LEU A 28 -1.488 -9.242 1.275 1.00 0.00 C ATOM 389 CD2 LEU A 28 -1.677 -7.476 -0.486 1.00 0.00 C ATOM 0 H LEU A 28 -6.306 -8.712 0.764 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.002 -9.541 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.806 -9.222 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.240 -7.538 0.124 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.203 -7.256 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.441 -8.970 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.898 -9.593 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.563 -10.035 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.628 -7.229 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.757 -8.226 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.220 -6.579 -0.783 1.00 0.00 H new ATOM 401 N THR A 29 -3.851 -7.569 3.884 1.00 0.00 N ATOM 402 CA THR A 29 -3.837 -6.474 4.845 1.00 0.00 C ATOM 403 C THR A 29 -2.470 -5.801 4.893 1.00 0.00 C ATOM 404 O THR A 29 -1.472 -6.425 5.252 1.00 0.00 O ATOM 405 CB THR A 29 -4.206 -6.963 6.259 1.00 0.00 C ATOM 406 OG1 THR A 29 -5.482 -7.612 6.235 1.00 0.00 O ATOM 407 CG2 THR A 29 -4.240 -5.802 7.241 1.00 0.00 C ATOM 0 H THR A 29 -3.239 -8.349 4.125 1.00 0.00 H new ATOM 0 HA THR A 29 -4.582 -5.752 4.512 1.00 0.00 H new ATOM 0 HB THR A 29 -3.445 -7.672 6.585 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.709 -7.921 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.503 -6.171 8.232 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.259 -5.328 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.983 -5.073 6.917 1.00 0.00 H new ATOM 415 N VAL A 30 -2.432 -4.523 4.529 1.00 0.00 N ATOM 416 CA VAL A 30 -1.187 -3.764 4.532 1.00 0.00 C ATOM 417 C VAL A 30 -1.271 -2.575 5.482 1.00 0.00 C ATOM 418 O VAL A 30 -2.021 -1.628 5.244 1.00 0.00 O ATOM 419 CB VAL A 30 -0.835 -3.257 3.121 1.00 0.00 C ATOM 420 CG1 VAL A 30 0.449 -2.442 3.151 1.00 0.00 C ATOM 421 CG2 VAL A 30 -0.713 -4.423 2.151 1.00 0.00 C ATOM 0 H VAL A 30 -3.249 -3.992 4.228 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.404 -4.442 4.872 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.640 -2.609 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.682 -2.092 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.321 -1.585 3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.266 -3.064 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.464 -4.046 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.072 -5.098 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.660 -4.961 2.108 1.00 0.00 H new ATOM 431 N LYS A 31 -0.495 -2.629 6.559 1.00 0.00 N ATOM 432 CA LYS A 31 -0.478 -1.555 7.545 1.00 0.00 C ATOM 433 C LYS A 31 0.816 -0.752 7.455 1.00 0.00 C ATOM 434 O LYS A 31 1.909 -1.305 7.579 1.00 0.00 O ATOM 435 CB LYS A 31 -0.638 -2.128 8.955 1.00 0.00 C ATOM 436 CG LYS A 31 -0.121 -1.208 10.048 1.00 0.00 C ATOM 437 CD LYS A 31 -0.619 -1.635 11.419 1.00 0.00 C ATOM 438 CE LYS A 31 -2.071 -1.238 11.633 1.00 0.00 C ATOM 439 NZ LYS A 31 -2.642 -1.865 12.857 1.00 0.00 N ATOM 0 H LYS A 31 0.131 -3.406 6.771 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.313 -0.888 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.692 -2.336 9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.110 -3.080 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.969 -1.208 10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.441 -0.186 9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.517 -2.715 11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.001 -1.179 12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.143 -0.153 11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.660 -1.533 10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.633 -1.570 12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.597 -2.900 12.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.096 -1.563 13.689 1.00 0.00 H new ATOM 453 N ILE A 32 0.684 0.552 7.240 1.00 0.00 N ATOM 454 CA ILE A 32 1.843 1.430 7.136 1.00 0.00 C ATOM 455 C ILE A 32 2.115 2.139 8.458 1.00 0.00 C ATOM 456 O ILE A 32 1.511 3.168 8.758 1.00 0.00 O ATOM 457 CB ILE A 32 1.653 2.485 6.030 1.00 0.00 C ATOM 458 CG1 ILE A 32 1.232 1.813 4.721 1.00 0.00 C ATOM 459 CG2 ILE A 32 2.933 3.283 5.834 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.314 0.952 4.109 1.00 0.00 C ATOM 0 H ILE A 32 -0.214 1.024 7.134 1.00 0.00 H new ATOM 0 HA ILE A 32 2.695 0.799 6.882 1.00 0.00 H new ATOM 0 HB ILE A 32 0.863 3.171 6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.350 1.199 4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.942 2.581 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.783 4.024 5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.194 3.787 6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.741 2.610 5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.946 0.508 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.189 1.565 3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.588 0.161 4.807 1.00 0.00 H new ATOM 472 N MET A 33 3.031 1.583 9.244 1.00 0.00 N ATOM 473 CA MET A 33 3.387 2.164 10.533 1.00 0.00 C ATOM 474 C MET A 33 3.593 3.670 10.412 1.00 0.00 C ATOM 475 O MET A 33 2.744 4.459 10.828 1.00 0.00 O ATOM 476 CB MET A 33 4.655 1.506 11.081 1.00 0.00 C ATOM 477 CG MET A 33 4.513 0.010 11.309 1.00 0.00 C ATOM 478 SD MET A 33 3.734 -0.381 12.888 1.00 0.00 S ATOM 479 CE MET A 33 3.685 -2.169 12.807 1.00 0.00 C ATOM 0 H MET A 33 3.540 0.731 9.011 1.00 0.00 H new ATOM 0 HA MET A 33 2.565 1.982 11.225 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.476 1.683 10.386 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.925 1.985 12.022 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.924 -0.423 10.501 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.498 -0.455 11.269 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.229 -2.562 13.715 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.097 -2.478 11.943 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.699 -2.557 12.714 1.00 0.00 H new ATOM 489 N LYS A 34 4.726 4.064 9.840 1.00 0.00 N ATOM 490 CA LYS A 34 5.044 5.476 9.662 1.00 0.00 C ATOM 491 C LYS A 34 6.344 5.647 8.884 1.00 0.00 C ATOM 492 O LYS A 34 7.012 4.669 8.550 1.00 0.00 O ATOM 493 CB LYS A 34 5.156 6.169 11.022 1.00 0.00 C ATOM 494 CG LYS A 34 6.373 5.742 11.824 1.00 0.00 C ATOM 495 CD LYS A 34 6.191 4.355 12.419 1.00 0.00 C ATOM 496 CE LYS A 34 7.246 4.058 13.473 1.00 0.00 C ATOM 497 NZ LYS A 34 6.900 4.661 14.790 1.00 0.00 N ATOM 0 H LYS A 34 5.440 3.424 9.491 1.00 0.00 H new ATOM 0 HA LYS A 34 4.237 5.936 9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.192 7.248 10.869 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.257 5.960 11.602 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.254 5.751 11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.554 6.461 12.623 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.199 4.276 12.863 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.246 3.608 11.627 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.354 2.979 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.210 4.442 13.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.644 4.436 15.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.822 5.693 14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.992 4.276 15.120 1.00 0.00 H new ATOM 511 N ALA A 35 6.698 6.896 8.599 1.00 0.00 N ATOM 512 CA ALA A 35 7.921 7.194 7.863 1.00 0.00 C ATOM 513 C ALA A 35 8.961 7.845 8.768 1.00 0.00 C ATOM 514 O ALA A 35 8.631 8.368 9.832 1.00 0.00 O ATOM 515 CB ALA A 35 7.615 8.095 6.675 1.00 0.00 C ATOM 0 H ALA A 35 6.156 7.717 8.866 1.00 0.00 H new ATOM 0 HA ALA A 35 8.334 6.254 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.537 8.310 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.912 7.594 6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.177 9.028 7.029 1.00 0.00 H new ATOM 521 N GLN A 36 10.218 7.809 8.338 1.00 0.00 N ATOM 522 CA GLN A 36 11.307 8.394 9.112 1.00 0.00 C ATOM 523 C GLN A 36 12.452 8.824 8.201 1.00 0.00 C ATOM 524 O GLN A 36 12.690 8.215 7.158 1.00 0.00 O ATOM 525 CB GLN A 36 11.815 7.396 10.153 1.00 0.00 C ATOM 526 CG GLN A 36 10.765 6.999 11.178 1.00 0.00 C ATOM 527 CD GLN A 36 11.374 6.479 12.466 1.00 0.00 C ATOM 528 OE1 GLN A 36 12.572 6.630 12.705 1.00 0.00 O ATOM 529 NE2 GLN A 36 10.549 5.863 13.305 1.00 0.00 N ATOM 0 H GLN A 36 10.508 7.381 7.458 1.00 0.00 H new ATOM 0 HA GLN A 36 10.922 9.276 9.623 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.170 6.500 9.643 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.671 7.828 10.671 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.136 7.861 11.400 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.118 6.233 10.751 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.563 5.760 13.067 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.902 5.493 14.188 1.00 0.00 H new ATOM 538 N GLU A 37 13.158 9.876 8.602 1.00 0.00 N ATOM 539 CA GLU A 37 14.278 10.387 7.820 1.00 0.00 C ATOM 540 C GLU A 37 13.820 10.812 6.427 1.00 0.00 C ATOM 541 O GLU A 37 14.412 10.419 5.420 1.00 0.00 O ATOM 542 CB GLU A 37 15.376 9.328 7.707 1.00 0.00 C ATOM 543 CG GLU A 37 16.193 9.161 8.977 1.00 0.00 C ATOM 544 CD GLU A 37 17.144 7.982 8.908 1.00 0.00 C ATOM 545 OE1 GLU A 37 16.844 7.021 8.168 1.00 0.00 O ATOM 546 OE2 GLU A 37 18.187 8.019 9.593 1.00 0.00 O ATOM 0 H GLU A 37 12.975 10.391 9.463 1.00 0.00 H new ATOM 0 HA GLU A 37 14.678 11.261 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.921 8.371 7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.044 9.595 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.762 10.072 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.519 9.030 9.824 1.00 0.00 H new ATOM 553 N LEU A 38 12.763 11.614 6.377 1.00 0.00 N ATOM 554 CA LEU A 38 12.224 12.092 5.109 1.00 0.00 C ATOM 555 C LEU A 38 12.688 13.517 4.822 1.00 0.00 C ATOM 556 O LEU A 38 12.526 14.424 5.638 1.00 0.00 O ATOM 557 CB LEU A 38 10.696 12.035 5.127 1.00 0.00 C ATOM 558 CG LEU A 38 10.076 10.637 5.115 1.00 0.00 C ATOM 559 CD1 LEU A 38 8.612 10.706 4.707 1.00 0.00 C ATOM 560 CD2 LEU A 38 10.849 9.719 4.179 1.00 0.00 C ATOM 0 H LEU A 38 12.262 11.947 7.200 1.00 0.00 H new ATOM 0 HA LEU A 38 12.596 11.442 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.343 12.559 6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.322 12.584 4.263 1.00 0.00 H new ATOM 0 HG LEU A 38 10.132 10.227 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.187 9.702 4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.066 11.329 5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.532 11.137 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.394 8.729 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.824 10.126 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.883 9.644 4.515 1.00 0.00 H new ATOM 572 N PRO A 39 13.277 13.720 3.634 1.00 0.00 N ATOM 573 CA PRO A 39 13.773 15.033 3.211 1.00 0.00 C ATOM 574 C PRO A 39 12.643 16.017 2.930 1.00 0.00 C ATOM 575 O PRO A 39 11.486 15.623 2.785 1.00 0.00 O ATOM 576 CB PRO A 39 14.545 14.723 1.926 1.00 0.00 C ATOM 577 CG PRO A 39 13.925 13.473 1.404 1.00 0.00 C ATOM 578 CD PRO A 39 13.503 12.684 2.612 1.00 0.00 C ATOM 0 HA PRO A 39 14.377 15.509 3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.460 15.537 1.207 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.607 14.584 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 39 13.070 13.698 0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.634 12.909 0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.599 12.106 2.419 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.274 11.977 2.920 1.00 0.00 H new ATOM 586 N ALA A 40 12.986 17.298 2.853 1.00 0.00 N ATOM 587 CA ALA A 40 12.001 18.338 2.586 1.00 0.00 C ATOM 588 C ALA A 40 12.201 18.943 1.200 1.00 0.00 C ATOM 589 O ALA A 40 13.168 19.667 0.961 1.00 0.00 O ATOM 590 CB ALA A 40 12.074 19.421 3.652 1.00 0.00 C ATOM 0 H ALA A 40 13.939 17.641 2.972 1.00 0.00 H new ATOM 0 HA ALA A 40 11.012 17.881 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.333 20.191 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.873 18.983 4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.069 19.866 3.652 1.00 0.00 H new ATOM 668 N THR A 46 9.842 21.752 5.046 1.00 0.00 N ATOM 669 CA THR A 46 8.895 20.664 5.254 1.00 0.00 C ATOM 670 C THR A 46 8.243 20.245 3.941 1.00 0.00 C ATOM 671 O THR A 46 8.321 20.960 2.942 1.00 0.00 O ATOM 672 CB THR A 46 7.795 21.060 6.257 1.00 0.00 C ATOM 673 OG1 THR A 46 7.166 19.886 6.782 1.00 0.00 O ATOM 674 CG2 THR A 46 6.753 21.947 5.594 1.00 0.00 C ATOM 0 HA THR A 46 9.461 19.825 5.660 1.00 0.00 H new ATOM 0 HB THR A 46 8.259 21.618 7.071 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.741 20.098 7.639 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.986 22.214 6.321 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.231 22.853 5.221 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.294 21.411 4.763 1.00 0.00 H new ATOM 682 N SER A 47 7.599 19.082 3.950 1.00 0.00 N ATOM 683 CA SER A 47 6.935 18.567 2.758 1.00 0.00 C ATOM 684 C SER A 47 5.759 17.671 3.136 1.00 0.00 C ATOM 685 O SER A 47 5.576 17.327 4.304 1.00 0.00 O ATOM 686 CB SER A 47 7.927 17.788 1.893 1.00 0.00 C ATOM 687 OG SER A 47 8.594 18.646 0.983 1.00 0.00 O ATOM 0 H SER A 47 7.523 18.479 4.769 1.00 0.00 H new ATOM 0 HA SER A 47 6.555 19.415 2.188 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.658 17.290 2.531 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.400 17.008 1.343 1.00 0.00 H new ATOM 0 HG SER A 47 8.662 19.544 1.370 1.00 0.00 H new ATOM 693 N ASP A 48 4.965 17.297 2.139 1.00 0.00 N ATOM 694 CA ASP A 48 3.807 16.440 2.364 1.00 0.00 C ATOM 695 C ASP A 48 4.062 15.032 1.836 1.00 0.00 C ATOM 696 O ASP A 48 3.675 14.681 0.721 1.00 0.00 O ATOM 697 CB ASP A 48 2.568 17.034 1.693 1.00 0.00 C ATOM 698 CG ASP A 48 1.612 15.967 1.196 1.00 0.00 C ATOM 699 OD1 ASP A 48 1.518 14.904 1.845 1.00 0.00 O ATOM 700 OD2 ASP A 48 0.956 16.196 0.158 1.00 0.00 O ATOM 0 H ASP A 48 5.102 17.574 1.167 1.00 0.00 H new ATOM 0 HA ASP A 48 3.634 16.379 3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.050 17.681 2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.877 17.660 0.856 1.00 0.00 H new ATOM 705 N PRO A 49 4.730 14.204 2.653 1.00 0.00 N ATOM 706 CA PRO A 49 5.052 12.821 2.289 1.00 0.00 C ATOM 707 C PRO A 49 3.814 11.932 2.240 1.00 0.00 C ATOM 708 O PRO A 49 2.974 11.969 3.139 1.00 0.00 O ATOM 709 CB PRO A 49 5.991 12.369 3.410 1.00 0.00 C ATOM 710 CG PRO A 49 5.635 13.229 4.573 1.00 0.00 C ATOM 711 CD PRO A 49 5.221 14.555 3.996 1.00 0.00 C ATOM 0 HA PRO A 49 5.491 12.753 1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.852 11.313 3.641 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.036 12.498 3.127 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.825 12.786 5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.484 13.345 5.247 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.445 15.030 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.058 15.252 3.949 1.00 0.00 H new ATOM 719 N PHE A 50 3.708 11.132 1.184 1.00 0.00 N ATOM 720 CA PHE A 50 2.572 10.233 1.017 1.00 0.00 C ATOM 721 C PHE A 50 3.006 8.923 0.366 1.00 0.00 C ATOM 722 O PHE A 50 3.753 8.921 -0.612 1.00 0.00 O ATOM 723 CB PHE A 50 1.486 10.900 0.171 1.00 0.00 C ATOM 724 CG PHE A 50 1.844 11.015 -1.283 1.00 0.00 C ATOM 725 CD1 PHE A 50 2.699 12.012 -1.723 1.00 0.00 C ATOM 726 CD2 PHE A 50 1.326 10.124 -2.210 1.00 0.00 C ATOM 727 CE1 PHE A 50 3.030 12.120 -3.061 1.00 0.00 C ATOM 728 CE2 PHE A 50 1.654 10.227 -3.549 1.00 0.00 C ATOM 729 CZ PHE A 50 2.508 11.226 -3.974 1.00 0.00 C ATOM 0 H PHE A 50 4.395 11.088 0.431 1.00 0.00 H new ATOM 0 HA PHE A 50 2.168 10.011 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.562 10.330 0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.288 11.896 0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.112 12.713 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.659 9.341 -1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.696 12.903 -3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.243 9.527 -4.262 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.767 11.308 -5.019 1.00 0.00 H new ATOM 739 N VAL A 51 2.532 7.810 0.917 1.00 0.00 N ATOM 740 CA VAL A 51 2.870 6.493 0.391 1.00 0.00 C ATOM 741 C VAL A 51 1.887 6.065 -0.693 1.00 0.00 C ATOM 742 O VAL A 51 0.711 6.427 -0.658 1.00 0.00 O ATOM 743 CB VAL A 51 2.884 5.430 1.505 1.00 0.00 C ATOM 744 CG1 VAL A 51 3.533 4.146 1.011 1.00 0.00 C ATOM 745 CG2 VAL A 51 3.601 5.959 2.737 1.00 0.00 C ATOM 0 H VAL A 51 1.913 7.794 1.727 1.00 0.00 H new ATOM 0 HA VAL A 51 3.869 6.571 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 51 1.854 5.205 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.534 3.407 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.972 3.759 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.559 4.351 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.601 5.195 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.629 6.214 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.088 6.848 3.103 1.00 0.00 H new ATOM 755 N LYS A 52 2.376 5.291 -1.656 1.00 0.00 N ATOM 756 CA LYS A 52 1.541 4.811 -2.751 1.00 0.00 C ATOM 757 C LYS A 52 1.661 3.298 -2.903 1.00 0.00 C ATOM 758 O LYS A 52 2.755 2.769 -3.102 1.00 0.00 O ATOM 759 CB LYS A 52 1.936 5.498 -4.060 1.00 0.00 C ATOM 760 CG LYS A 52 1.185 6.794 -4.317 1.00 0.00 C ATOM 761 CD LYS A 52 1.151 7.134 -5.797 1.00 0.00 C ATOM 762 CE LYS A 52 2.413 7.863 -6.231 1.00 0.00 C ATOM 763 NZ LYS A 52 2.527 7.940 -7.714 1.00 0.00 N ATOM 0 H LYS A 52 3.347 4.982 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 52 0.504 5.055 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.006 5.705 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.756 4.813 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.166 6.706 -3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.660 7.606 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.040 6.219 -6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.280 7.754 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.412 8.870 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.286 7.351 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.400 8.444 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.553 6.979 -8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.707 8.451 -8.099 1.00 0.00 H new ATOM 777 N ILE A 53 0.529 2.607 -2.809 1.00 0.00 N ATOM 778 CA ILE A 53 0.508 1.156 -2.938 1.00 0.00 C ATOM 779 C ILE A 53 0.103 0.736 -4.347 1.00 0.00 C ATOM 780 O ILE A 53 -0.886 1.227 -4.893 1.00 0.00 O ATOM 781 CB ILE A 53 -0.459 0.514 -1.926 1.00 0.00 C ATOM 782 CG1 ILE A 53 -0.025 0.842 -0.496 1.00 0.00 C ATOM 783 CG2 ILE A 53 -0.521 -0.992 -2.134 1.00 0.00 C ATOM 784 CD1 ILE A 53 -1.171 0.872 0.492 1.00 0.00 C ATOM 0 H ILE A 53 -0.385 3.029 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 53 1.520 0.806 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.456 0.924 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.707 0.104 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.475 1.811 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.209 -1.431 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.871 -1.206 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.472 -1.420 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.789 1.111 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.893 1.630 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.657 -0.103 0.515 1.00 0.00 H new ATOM 796 N TYR A 54 0.872 -0.177 -4.931 1.00 0.00 N ATOM 797 CA TYR A 54 0.594 -0.663 -6.277 1.00 0.00 C ATOM 798 C TYR A 54 0.918 -2.149 -6.397 1.00 0.00 C ATOM 799 O TYR A 54 2.050 -2.571 -6.156 1.00 0.00 O ATOM 800 CB TYR A 54 1.400 0.131 -7.305 1.00 0.00 C ATOM 801 CG TYR A 54 0.734 1.420 -7.732 1.00 0.00 C ATOM 802 CD1 TYR A 54 0.605 2.484 -6.848 1.00 0.00 C ATOM 803 CD2 TYR A 54 0.235 1.574 -9.019 1.00 0.00 C ATOM 804 CE1 TYR A 54 -0.003 3.663 -7.233 1.00 0.00 C ATOM 805 CE2 TYR A 54 -0.373 2.750 -9.414 1.00 0.00 C ATOM 806 CZ TYR A 54 -0.490 3.792 -8.517 1.00 0.00 C ATOM 807 OH TYR A 54 -1.095 4.965 -8.905 1.00 0.00 O ATOM 0 H TYR A 54 1.693 -0.595 -4.493 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.469 -0.524 -6.474 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.381 0.359 -6.888 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.565 -0.492 -8.184 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.987 2.388 -5.842 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.324 0.760 -9.723 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.097 4.480 -6.532 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.755 2.853 -10.419 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.704 5.271 -9.750 1.00 0.00 H new ATOM 817 N LEU A 55 -0.083 -2.938 -6.772 1.00 0.00 N ATOM 818 CA LEU A 55 0.094 -4.378 -6.925 1.00 0.00 C ATOM 819 C LEU A 55 0.555 -4.722 -8.338 1.00 0.00 C ATOM 820 O LEU A 55 -0.251 -5.090 -9.194 1.00 0.00 O ATOM 821 CB LEU A 55 -1.212 -5.109 -6.611 1.00 0.00 C ATOM 822 CG LEU A 55 -1.500 -5.361 -5.130 1.00 0.00 C ATOM 823 CD1 LEU A 55 -2.734 -6.235 -4.968 1.00 0.00 C ATOM 824 CD2 LEU A 55 -0.297 -6.002 -4.454 1.00 0.00 C ATOM 0 H LEU A 55 -1.025 -2.605 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 55 0.862 -4.701 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.037 -4.532 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.201 -6.069 -7.127 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.693 -4.402 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.924 -6.404 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.594 -5.737 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.570 -7.192 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.520 -6.174 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.072 -6.953 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.564 -5.339 -4.539 1.00 0.00 H new ATOM 836 N LEU A 56 1.857 -4.602 -8.576 1.00 0.00 N ATOM 837 CA LEU A 56 2.426 -4.903 -9.885 1.00 0.00 C ATOM 838 C LEU A 56 2.359 -6.399 -10.178 1.00 0.00 C ATOM 839 O LEU A 56 2.392 -7.235 -9.275 1.00 0.00 O ATOM 840 CB LEU A 56 3.877 -4.423 -9.954 1.00 0.00 C ATOM 841 CG LEU A 56 4.139 -3.002 -9.455 1.00 0.00 C ATOM 842 CD1 LEU A 56 5.606 -2.823 -9.098 1.00 0.00 C ATOM 843 CD2 LEU A 56 3.713 -1.982 -10.501 1.00 0.00 C ATOM 0 H LEU A 56 2.538 -4.299 -7.880 1.00 0.00 H new ATOM 0 HA LEU A 56 1.839 -4.378 -10.638 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.494 -5.110 -9.374 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.212 -4.491 -10.989 1.00 0.00 H new ATOM 0 HG LEU A 56 3.546 -2.838 -8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.773 -1.805 -8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.878 -3.529 -8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.220 -3.006 -9.980 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.907 -0.976 -10.128 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.278 -2.144 -11.419 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.648 -2.094 -10.706 1.00 0.00 H new ATOM 855 N PRO A 57 2.264 -6.745 -11.470 1.00 0.00 N ATOM 856 CA PRO A 57 2.224 -5.758 -12.553 1.00 0.00 C ATOM 857 C PRO A 57 0.920 -4.968 -12.569 1.00 0.00 C ATOM 858 O PRO A 57 0.923 -3.751 -12.755 1.00 0.00 O ATOM 859 CB PRO A 57 2.346 -6.614 -13.817 1.00 0.00 C ATOM 860 CG PRO A 57 1.823 -7.951 -13.421 1.00 0.00 C ATOM 861 CD PRO A 57 2.189 -8.127 -11.973 1.00 0.00 C ATOM 0 HA PRO A 57 3.009 -5.009 -12.451 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.769 -6.191 -14.639 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.381 -6.678 -14.154 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.743 -8.004 -13.560 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.262 -8.739 -14.033 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.440 -8.710 -11.437 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.139 -8.648 -11.859 1.00 0.00 H new ATOM 869 N ASP A 58 -0.192 -5.666 -12.372 1.00 0.00 N ATOM 870 CA ASP A 58 -1.504 -5.029 -12.362 1.00 0.00 C ATOM 871 C ASP A 58 -1.417 -3.617 -11.791 1.00 0.00 C ATOM 872 O ASP A 58 -1.283 -3.431 -10.582 1.00 0.00 O ATOM 873 CB ASP A 58 -2.493 -5.862 -11.545 1.00 0.00 C ATOM 874 CG ASP A 58 -3.936 -5.566 -11.906 1.00 0.00 C ATOM 875 OD1 ASP A 58 -4.504 -4.608 -11.341 1.00 0.00 O ATOM 876 OD2 ASP A 58 -4.496 -6.291 -12.754 1.00 0.00 O ATOM 0 H ASP A 58 -0.212 -6.674 -12.217 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.858 -4.965 -13.391 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.291 -6.921 -11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.339 -5.666 -10.484 1.00 0.00 H new ATOM 881 N LYS A 59 -1.494 -2.623 -12.670 1.00 0.00 N ATOM 882 CA LYS A 59 -1.425 -1.227 -12.256 1.00 0.00 C ATOM 883 C LYS A 59 -2.809 -0.587 -12.267 1.00 0.00 C ATOM 884 O LYS A 59 -2.947 0.621 -12.075 1.00 0.00 O ATOM 885 CB LYS A 59 -0.483 -0.447 -13.175 1.00 0.00 C ATOM 886 CG LYS A 59 0.966 -0.468 -12.720 1.00 0.00 C ATOM 887 CD LYS A 59 1.768 0.653 -13.361 1.00 0.00 C ATOM 888 CE LYS A 59 1.586 1.966 -12.615 1.00 0.00 C ATOM 889 NZ LYS A 59 2.460 3.040 -13.162 1.00 0.00 N ATOM 0 H LYS A 59 -1.604 -2.759 -13.675 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.038 -1.195 -11.238 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.545 -0.861 -14.181 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.821 0.587 -13.235 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.009 -0.373 -11.635 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.414 -1.429 -12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.824 0.384 -13.374 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.457 0.777 -14.398 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.544 2.278 -12.679 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.811 1.818 -11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.307 3.919 -12.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.456 2.753 -13.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.229 3.200 -14.163 1.00 0.00 H new ATOM 903 N LYS A 60 -3.832 -1.404 -12.492 1.00 0.00 N ATOM 904 CA LYS A 60 -5.207 -0.919 -12.526 1.00 0.00 C ATOM 905 C LYS A 60 -5.683 -0.535 -11.129 1.00 0.00 C ATOM 906 O LYS A 60 -5.850 0.646 -10.821 1.00 0.00 O ATOM 907 CB LYS A 60 -6.132 -1.986 -13.116 1.00 0.00 C ATOM 908 CG LYS A 60 -5.921 -2.219 -14.602 1.00 0.00 C ATOM 909 CD LYS A 60 -6.766 -1.275 -15.440 1.00 0.00 C ATOM 910 CE LYS A 60 -8.222 -1.714 -15.477 1.00 0.00 C ATOM 911 NZ LYS A 60 -9.143 -0.562 -15.681 1.00 0.00 N ATOM 0 H LYS A 60 -3.735 -2.406 -12.654 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.237 -0.031 -13.158 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.976 -2.924 -12.584 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.168 -1.691 -12.946 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.868 -2.081 -14.847 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.173 -3.250 -14.849 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.699 -0.266 -15.032 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.371 -1.235 -16.455 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.363 -2.438 -16.279 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.473 -2.219 -14.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.126 -0.902 -15.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.027 0.117 -14.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.920 -0.095 -16.583 1.00 0.00 H new ATOM 925 N HIS A 61 -5.899 -1.539 -10.285 1.00 0.00 N ATOM 926 CA HIS A 61 -6.353 -1.306 -8.919 1.00 0.00 C ATOM 927 C HIS A 61 -5.191 -0.885 -8.024 1.00 0.00 C ATOM 928 O HIS A 61 -4.467 -1.726 -7.492 1.00 0.00 O ATOM 929 CB HIS A 61 -7.015 -2.564 -8.357 1.00 0.00 C ATOM 930 CG HIS A 61 -8.338 -2.877 -8.986 1.00 0.00 C ATOM 931 ND1 HIS A 61 -9.437 -3.288 -8.261 1.00 0.00 N ATOM 932 CD2 HIS A 61 -8.736 -2.835 -10.279 1.00 0.00 C ATOM 933 CE1 HIS A 61 -10.453 -3.487 -9.082 1.00 0.00 C ATOM 934 NE2 HIS A 61 -10.054 -3.218 -10.312 1.00 0.00 N ATOM 0 H HIS A 61 -5.767 -2.522 -10.523 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.084 -0.498 -8.939 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -6.345 -3.412 -8.499 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.152 -2.443 -7.282 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.130 -2.553 -11.127 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -11.442 -3.814 -8.796 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -10.631 -3.284 -11.150 1.00 0.00 H new ATOM 943 N LYS A 62 -5.019 0.423 -7.863 1.00 0.00 N ATOM 944 CA LYS A 62 -3.946 0.956 -7.032 1.00 0.00 C ATOM 945 C LYS A 62 -4.508 1.650 -5.795 1.00 0.00 C ATOM 946 O LYS A 62 -5.651 2.109 -5.794 1.00 0.00 O ATOM 947 CB LYS A 62 -3.092 1.939 -7.836 1.00 0.00 C ATOM 948 CG LYS A 62 -3.762 3.283 -8.064 1.00 0.00 C ATOM 949 CD LYS A 62 -4.559 3.296 -9.358 1.00 0.00 C ATOM 950 CE LYS A 62 -3.701 3.732 -10.536 1.00 0.00 C ATOM 951 NZ LYS A 62 -3.584 5.215 -10.617 1.00 0.00 N ATOM 0 H LYS A 62 -5.609 1.133 -8.297 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.323 0.122 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.148 2.097 -7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.853 1.494 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.422 3.508 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.006 4.067 -8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.962 2.301 -9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.409 3.970 -9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.707 3.294 -10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.133 3.350 -11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.501 5.503 -11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.430 5.653 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.740 5.526 -10.095 1.00 0.00 H new ATOM 965 N LEU A 63 -3.699 1.723 -4.744 1.00 0.00 N ATOM 966 CA LEU A 63 -4.116 2.362 -3.501 1.00 0.00 C ATOM 967 C LEU A 63 -3.051 3.335 -3.005 1.00 0.00 C ATOM 968 O LEU A 63 -1.903 3.289 -3.445 1.00 0.00 O ATOM 969 CB LEU A 63 -4.396 1.305 -2.430 1.00 0.00 C ATOM 970 CG LEU A 63 -5.461 1.665 -1.394 1.00 0.00 C ATOM 971 CD1 LEU A 63 -6.723 2.167 -2.079 1.00 0.00 C ATOM 972 CD2 LEU A 63 -5.773 0.466 -0.511 1.00 0.00 C ATOM 0 H LEU A 63 -2.751 1.348 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.030 2.922 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.699 0.384 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.464 1.093 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.072 2.464 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.470 2.418 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.489 3.054 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.115 1.389 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.533 0.741 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.142 -0.354 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.868 0.151 0.008 1.00 0.00 H new ATOM 984 N GLU A 64 -3.441 4.213 -2.086 1.00 0.00 N ATOM 985 CA GLU A 64 -2.519 5.196 -1.530 1.00 0.00 C ATOM 986 C GLU A 64 -2.896 5.545 -0.093 1.00 0.00 C ATOM 987 O GLU A 64 -4.017 5.285 0.347 1.00 0.00 O ATOM 988 CB GLU A 64 -2.509 6.462 -2.389 1.00 0.00 C ATOM 989 CG GLU A 64 -2.068 7.705 -1.635 1.00 0.00 C ATOM 990 CD GLU A 64 -2.179 8.965 -2.471 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.047 8.870 -3.709 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.399 10.047 -1.887 1.00 0.00 O ATOM 0 H GLU A 64 -4.388 4.263 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.520 4.759 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.845 6.309 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.509 6.626 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.675 7.815 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.036 7.580 -1.308 1.00 0.00 H new ATOM 999 N THR A 65 -1.953 6.135 0.634 1.00 0.00 N ATOM 1000 CA THR A 65 -2.185 6.518 2.021 1.00 0.00 C ATOM 1001 C THR A 65 -2.574 7.988 2.127 1.00 0.00 C ATOM 1002 O THR A 65 -2.348 8.770 1.203 1.00 0.00 O ATOM 1003 CB THR A 65 -0.938 6.265 2.890 1.00 0.00 C ATOM 1004 OG1 THR A 65 0.183 6.979 2.358 1.00 0.00 O ATOM 1005 CG2 THR A 65 -0.617 4.779 2.953 1.00 0.00 C ATOM 0 H THR A 65 -1.021 6.358 0.285 1.00 0.00 H new ATOM 0 HA THR A 65 -3.005 5.900 2.387 1.00 0.00 H new ATOM 0 HB THR A 65 -1.147 6.619 3.900 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.496 7.634 3.016 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.267 4.624 3.572 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.461 4.242 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.426 4.405 1.947 1.00 0.00 H new ATOM 1013 N LYS A 66 -3.160 8.360 3.261 1.00 0.00 N ATOM 1014 CA LYS A 66 -3.579 9.738 3.490 1.00 0.00 C ATOM 1015 C LYS A 66 -2.431 10.707 3.226 1.00 0.00 C ATOM 1016 O LYS A 66 -1.290 10.292 3.019 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.084 9.907 4.925 1.00 0.00 C ATOM 1018 CG LYS A 66 -5.430 9.251 5.177 1.00 0.00 C ATOM 1019 CD LYS A 66 -6.577 10.143 4.733 1.00 0.00 C ATOM 1020 CE LYS A 66 -6.994 11.104 5.836 1.00 0.00 C ATOM 1021 NZ LYS A 66 -8.382 11.607 5.638 1.00 0.00 N ATOM 0 H LYS A 66 -3.355 7.726 4.036 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.389 9.965 2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.350 9.486 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.159 10.970 5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.479 8.302 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.533 9.026 6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.279 10.708 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.428 9.526 4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.924 10.602 6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.303 11.946 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.629 12.259 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.443 12.108 4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.045 10.806 5.637 1.00 0.00 H new ATOM 1035 N VAL A 67 -2.740 12.000 3.236 1.00 0.00 N ATOM 1036 CA VAL A 67 -1.733 13.028 3.001 1.00 0.00 C ATOM 1037 C VAL A 67 -1.449 13.821 4.272 1.00 0.00 C ATOM 1038 O VAL A 67 -2.366 14.332 4.916 1.00 0.00 O ATOM 1039 CB VAL A 67 -2.173 14.000 1.890 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -1.092 15.038 1.630 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -2.508 13.237 0.617 1.00 0.00 C ATOM 0 H VAL A 67 -3.679 12.360 3.404 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.824 12.515 2.686 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.071 14.521 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.420 15.716 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.905 15.605 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.175 14.538 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.817 13.939 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.629 12.688 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.319 12.536 0.816 1.00 0.00 H new ATOM 1051 N LYS A 68 -0.173 13.920 4.628 1.00 0.00 N ATOM 1052 CA LYS A 68 0.234 14.652 5.822 1.00 0.00 C ATOM 1053 C LYS A 68 0.992 15.922 5.449 1.00 0.00 C ATOM 1054 O LYS A 68 2.089 15.861 4.894 1.00 0.00 O ATOM 1055 CB LYS A 68 1.107 13.768 6.715 1.00 0.00 C ATOM 1056 CG LYS A 68 0.441 12.463 7.116 1.00 0.00 C ATOM 1057 CD LYS A 68 -0.369 12.619 8.392 1.00 0.00 C ATOM 1058 CE LYS A 68 -1.504 11.609 8.458 1.00 0.00 C ATOM 1059 NZ LYS A 68 -2.552 12.016 9.434 1.00 0.00 N ATOM 0 H LYS A 68 0.598 13.502 4.107 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.666 14.934 6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.038 13.546 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.371 14.323 7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.210 12.123 6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.201 11.694 7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.283 12.492 9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.776 13.629 8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.951 11.500 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.106 10.633 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.308 11.302 9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.131 12.096 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.950 12.935 9.153 1.00 0.00 H new ATOM 1073 N ARG A 69 0.400 17.071 5.758 1.00 0.00 N ATOM 1074 CA ARG A 69 1.020 18.355 5.455 1.00 0.00 C ATOM 1075 C ARG A 69 1.932 18.801 6.595 1.00 0.00 C ATOM 1076 O ARG A 69 1.653 18.541 7.766 1.00 0.00 O ATOM 1077 CB ARG A 69 -0.052 19.416 5.201 1.00 0.00 C ATOM 1078 CG ARG A 69 -0.841 19.190 3.922 1.00 0.00 C ATOM 1079 CD ARG A 69 -0.120 19.766 2.713 1.00 0.00 C ATOM 1080 NE ARG A 69 -1.045 20.104 1.634 1.00 0.00 N ATOM 1081 CZ ARG A 69 -1.976 21.046 1.732 1.00 0.00 C ATOM 1082 NH1 ARG A 69 -2.106 21.740 2.854 1.00 0.00 N ATOM 1083 NH2 ARG A 69 -2.780 21.295 0.706 1.00 0.00 N ATOM 0 H ARG A 69 -0.508 17.139 6.218 1.00 0.00 H new ATOM 0 HA ARG A 69 1.623 18.235 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.741 19.433 6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.422 20.396 5.157 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.002 18.122 3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.825 19.651 4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.431 20.658 3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.612 19.045 2.350 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.972 19.588 0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.490 21.551 3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.822 22.463 2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.683 20.763 -0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.495 22.019 0.782 1.00 0.00 H new ATOM 1097 N LYS A 70 3.023 19.474 6.245 1.00 0.00 N ATOM 1098 CA LYS A 70 3.975 19.957 7.237 1.00 0.00 C ATOM 1099 C LYS A 70 4.405 18.831 8.172 1.00 0.00 C ATOM 1100 O LYS A 70 4.370 18.979 9.393 1.00 0.00 O ATOM 1101 CB LYS A 70 3.363 21.102 8.047 1.00 0.00 C ATOM 1102 CG LYS A 70 2.761 22.201 7.189 1.00 0.00 C ATOM 1103 CD LYS A 70 2.444 23.440 8.010 1.00 0.00 C ATOM 1104 CE LYS A 70 3.699 24.244 8.313 1.00 0.00 C ATOM 1105 NZ LYS A 70 4.441 23.693 9.481 1.00 0.00 N ATOM 0 H LYS A 70 3.270 19.697 5.281 1.00 0.00 H new ATOM 0 HA LYS A 70 4.856 20.324 6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.590 20.700 8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.132 21.533 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.455 22.461 6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.850 21.835 6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.733 24.064 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.965 23.146 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.349 24.247 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.427 25.281 8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.742 24.472 10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.822 23.048 10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.278 23.174 9.147 1.00 0.00 H new ATOM 1119 N ASN A 71 4.811 17.708 7.591 1.00 0.00 N ATOM 1120 CA ASN A 71 5.249 16.557 8.373 1.00 0.00 C ATOM 1121 C ASN A 71 6.132 15.636 7.538 1.00 0.00 C ATOM 1122 O ASN A 71 5.733 15.178 6.466 1.00 0.00 O ATOM 1123 CB ASN A 71 4.039 15.782 8.900 1.00 0.00 C ATOM 1124 CG ASN A 71 4.363 14.983 10.147 1.00 0.00 C ATOM 1125 OD1 ASN A 71 5.433 14.385 10.254 1.00 0.00 O ATOM 1126 ND2 ASN A 71 3.436 14.970 11.098 1.00 0.00 N ATOM 0 H ASN A 71 4.846 17.570 6.581 1.00 0.00 H new ATOM 0 HA ASN A 71 5.833 16.924 9.217 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.231 16.480 9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.676 15.108 8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.597 14.449 11.960 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.563 15.481 10.966 1.00 0.00 H new ATOM 1133 N LEU A 72 7.335 15.367 8.035 1.00 0.00 N ATOM 1134 CA LEU A 72 8.276 14.500 7.336 1.00 0.00 C ATOM 1135 C LEU A 72 8.324 13.118 7.979 1.00 0.00 C ATOM 1136 O LEU A 72 8.635 12.126 7.321 1.00 0.00 O ATOM 1137 CB LEU A 72 9.672 15.124 7.336 1.00 0.00 C ATOM 1138 CG LEU A 72 9.789 16.508 6.696 1.00 0.00 C ATOM 1139 CD1 LEU A 72 11.049 17.212 7.174 1.00 0.00 C ATOM 1140 CD2 LEU A 72 9.782 16.396 5.179 1.00 0.00 C ATOM 0 H LEU A 72 7.681 15.737 8.920 1.00 0.00 H new ATOM 0 HA LEU A 72 7.934 14.390 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.017 15.192 8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.351 14.447 6.817 1.00 0.00 H new ATOM 0 HG LEU A 72 8.927 17.102 7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.115 18.195 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.014 17.325 8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.923 16.621 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.866 17.390 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.624 15.784 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.851 15.933 4.853 1.00 0.00 H new ATOM 1152 N ASN A 73 8.012 13.060 9.270 1.00 0.00 N ATOM 1153 CA ASN A 73 8.017 11.799 10.003 1.00 0.00 C ATOM 1154 C ASN A 73 6.630 11.484 10.554 1.00 0.00 C ATOM 1155 O ASN A 73 6.471 11.074 11.704 1.00 0.00 O ATOM 1156 CB ASN A 73 9.033 11.854 11.146 1.00 0.00 C ATOM 1157 CG ASN A 73 10.361 12.442 10.711 1.00 0.00 C ATOM 1158 OD1 ASN A 73 10.820 12.210 9.593 1.00 0.00 O ATOM 1159 ND2 ASN A 73 10.987 13.209 11.597 1.00 0.00 N ATOM 0 H ASN A 73 7.752 13.872 9.830 1.00 0.00 H new ATOM 0 HA ASN A 73 8.301 11.006 9.311 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.625 12.450 11.963 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.194 10.848 11.534 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.885 13.632 11.361 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.570 13.375 12.513 1.00 0.00 H new ATOM 1166 N PRO A 74 5.602 11.678 9.715 1.00 0.00 N ATOM 1167 CA PRO A 74 4.210 11.420 10.096 1.00 0.00 C ATOM 1168 C PRO A 74 3.921 9.932 10.261 1.00 0.00 C ATOM 1169 O PRO A 74 4.646 9.086 9.736 1.00 0.00 O ATOM 1170 CB PRO A 74 3.410 11.993 8.924 1.00 0.00 C ATOM 1171 CG PRO A 74 4.344 11.940 7.765 1.00 0.00 C ATOM 1172 CD PRO A 74 5.719 12.165 8.330 1.00 0.00 C ATOM 0 HA PRO A 74 3.961 11.866 11.059 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.511 11.407 8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.088 13.015 9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.283 10.977 7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.095 12.704 7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.477 11.615 7.773 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.000 13.218 8.296 1.00 0.00 H new ATOM 1180 N HIS A 75 2.858 9.618 10.994 1.00 0.00 N ATOM 1181 CA HIS A 75 2.472 8.231 11.228 1.00 0.00 C ATOM 1182 C HIS A 75 1.099 7.940 10.629 1.00 0.00 C ATOM 1183 O HIS A 75 0.093 8.505 11.057 1.00 0.00 O ATOM 1184 CB HIS A 75 2.462 7.927 12.726 1.00 0.00 C ATOM 1185 CG HIS A 75 2.130 9.115 13.576 1.00 0.00 C ATOM 1186 ND1 HIS A 75 3.090 9.927 14.142 1.00 0.00 N ATOM 1187 CD2 HIS A 75 0.936 9.628 13.953 1.00 0.00 C ATOM 1188 CE1 HIS A 75 2.500 10.887 14.832 1.00 0.00 C ATOM 1189 NE2 HIS A 75 1.193 10.728 14.733 1.00 0.00 N ATOM 0 H HIS A 75 2.248 10.306 11.436 1.00 0.00 H new ATOM 0 HA HIS A 75 3.206 7.589 10.740 1.00 0.00 H new ATOM 0 HB2 HIS A 75 1.738 7.136 12.923 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.440 7.544 13.017 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -0.038 9.243 13.689 1.00 0.00 H new ATOM 0 HE1 HIS A 75 3.001 11.669 15.383 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.489 11.325 15.166 1.00 0.00 H new ATOM 1198 N TRP A 76 1.067 7.058 9.637 1.00 0.00 N ATOM 1199 CA TRP A 76 -0.182 6.693 8.979 1.00 0.00 C ATOM 1200 C TRP A 76 -0.934 5.638 9.784 1.00 0.00 C ATOM 1201 O TRP A 76 -2.146 5.735 9.972 1.00 0.00 O ATOM 1202 CB TRP A 76 0.094 6.174 7.567 1.00 0.00 C ATOM 1203 CG TRP A 76 0.612 7.229 6.637 1.00 0.00 C ATOM 1204 CD1 TRP A 76 -0.122 8.176 5.981 1.00 0.00 C ATOM 1205 CD2 TRP A 76 1.976 7.442 6.258 1.00 0.00 C ATOM 1206 NE1 TRP A 76 0.703 8.965 5.218 1.00 0.00 N ATOM 1207 CE2 TRP A 76 1.995 8.536 5.371 1.00 0.00 C ATOM 1208 CE3 TRP A 76 3.183 6.818 6.583 1.00 0.00 C ATOM 1209 CZ2 TRP A 76 3.174 9.015 4.806 1.00 0.00 C ATOM 1210 CZ3 TRP A 76 4.352 7.294 6.022 1.00 0.00 C ATOM 1211 CH2 TRP A 76 4.341 8.384 5.142 1.00 0.00 C ATOM 0 H TRP A 76 1.892 6.582 9.271 1.00 0.00 H new ATOM 0 HA TRP A 76 -0.804 7.586 8.915 1.00 0.00 H new ATOM 0 HB2 TRP A 76 0.818 5.361 7.622 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -0.825 5.756 7.155 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -1.194 8.288 6.052 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.403 9.744 4.632 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.202 5.978 7.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 3.168 9.855 4.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 5.290 6.818 6.266 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.272 8.733 4.720 1.00 0.00 H new ATOM 1222 N ASN A 77 -0.207 4.632 10.257 1.00 0.00 N ATOM 1223 CA ASN A 77 -0.806 3.559 11.042 1.00 0.00 C ATOM 1224 C ASN A 77 -2.174 3.175 10.484 1.00 0.00 C ATOM 1225 O ASN A 77 -3.084 2.825 11.234 1.00 0.00 O ATOM 1226 CB ASN A 77 -0.940 3.983 12.506 1.00 0.00 C ATOM 1227 CG ASN A 77 -1.153 5.477 12.657 1.00 0.00 C ATOM 1228 OD1 ASN A 77 -0.228 6.268 12.474 1.00 0.00 O ATOM 1229 ND2 ASN A 77 -2.376 5.869 12.995 1.00 0.00 N ATOM 0 H ASN A 77 0.798 4.537 10.111 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.152 2.689 10.982 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.776 3.452 12.960 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.042 3.690 13.050 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.579 6.862 13.113 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.112 5.177 13.137 1.00 0.00 H new ATOM 1236 N GLU A 78 -2.309 3.245 9.164 1.00 0.00 N ATOM 1237 CA GLU A 78 -3.565 2.905 8.506 1.00 0.00 C ATOM 1238 C GLU A 78 -3.592 1.432 8.112 1.00 0.00 C ATOM 1239 O GLU A 78 -2.562 0.757 8.115 1.00 0.00 O ATOM 1240 CB GLU A 78 -3.771 3.780 7.268 1.00 0.00 C ATOM 1241 CG GLU A 78 -4.378 5.138 7.576 1.00 0.00 C ATOM 1242 CD GLU A 78 -5.869 5.064 7.842 1.00 0.00 C ATOM 1243 OE1 GLU A 78 -6.617 4.665 6.925 1.00 0.00 O ATOM 1244 OE2 GLU A 78 -6.288 5.406 8.967 1.00 0.00 O ATOM 0 H GLU A 78 -1.565 3.534 8.529 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.376 3.089 9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.811 3.925 6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.417 3.254 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.879 5.566 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.195 5.812 6.739 1.00 0.00 H new ATOM 1251 N THR A 79 -4.779 0.937 7.773 1.00 0.00 N ATOM 1252 CA THR A 79 -4.942 -0.456 7.378 1.00 0.00 C ATOM 1253 C THR A 79 -5.830 -0.578 6.145 1.00 0.00 C ATOM 1254 O THR A 79 -6.988 -0.160 6.158 1.00 0.00 O ATOM 1255 CB THR A 79 -5.548 -1.296 8.518 1.00 0.00 C ATOM 1256 OG1 THR A 79 -4.825 -1.068 9.732 1.00 0.00 O ATOM 1257 CG2 THR A 79 -5.517 -2.778 8.174 1.00 0.00 C ATOM 0 H THR A 79 -5.642 1.481 7.764 1.00 0.00 H new ATOM 0 HA THR A 79 -3.947 -0.837 7.145 1.00 0.00 H new ATOM 0 HB THR A 79 -6.586 -0.992 8.651 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.217 -1.604 10.452 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.950 -3.351 8.994 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.093 -2.953 7.265 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.486 -3.093 8.016 1.00 0.00 H new ATOM 1265 N PHE A 80 -5.281 -1.154 5.080 1.00 0.00 N ATOM 1266 CA PHE A 80 -6.024 -1.330 3.838 1.00 0.00 C ATOM 1267 C PHE A 80 -6.444 -2.786 3.658 1.00 0.00 C ATOM 1268 O PHE A 80 -5.987 -3.670 4.383 1.00 0.00 O ATOM 1269 CB PHE A 80 -5.178 -0.880 2.645 1.00 0.00 C ATOM 1270 CG PHE A 80 -4.620 0.506 2.795 1.00 0.00 C ATOM 1271 CD1 PHE A 80 -3.440 0.721 3.488 1.00 0.00 C ATOM 1272 CD2 PHE A 80 -5.276 1.595 2.243 1.00 0.00 C ATOM 1273 CE1 PHE A 80 -2.923 1.996 3.627 1.00 0.00 C ATOM 1274 CE2 PHE A 80 -4.764 2.872 2.379 1.00 0.00 C ATOM 1275 CZ PHE A 80 -3.587 3.072 3.073 1.00 0.00 C ATOM 0 H PHE A 80 -4.324 -1.507 5.053 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.922 -0.715 3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.355 -1.582 2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.787 -0.922 1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.918 -0.117 3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.198 1.444 1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.001 2.150 4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.284 3.712 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.186 4.069 3.182 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.317 -3.027 2.686 1.00 0.00 N ATOM 1286 CA LEU A 81 -7.800 -4.376 2.410 1.00 0.00 C ATOM 1287 C LEU A 81 -8.067 -4.563 0.920 1.00 0.00 C ATOM 1288 O LEU A 81 -8.791 -3.781 0.304 1.00 0.00 O ATOM 1289 CB LEU A 81 -9.076 -4.655 3.207 1.00 0.00 C ATOM 1290 CG LEU A 81 -8.920 -4.705 4.727 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.282 -4.764 5.402 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -8.067 -5.896 5.137 1.00 0.00 C ATOM 0 H LEU A 81 -7.705 -2.307 2.076 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.027 -5.082 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.809 -3.886 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.489 -5.607 2.873 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.416 -3.794 5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.151 -4.799 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.859 -3.879 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.813 -5.657 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.967 -5.915 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.542 -6.817 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.080 -5.810 4.683 1.00 0.00 H new ATOM 1304 N PHE A 82 -7.478 -5.607 0.345 1.00 0.00 N ATOM 1305 CA PHE A 82 -7.653 -5.899 -1.073 1.00 0.00 C ATOM 1306 C PHE A 82 -8.409 -7.211 -1.269 1.00 0.00 C ATOM 1307 O PHE A 82 -7.835 -8.292 -1.149 1.00 0.00 O ATOM 1308 CB PHE A 82 -6.294 -5.971 -1.772 1.00 0.00 C ATOM 1309 CG PHE A 82 -5.564 -4.659 -1.798 1.00 0.00 C ATOM 1310 CD1 PHE A 82 -5.981 -3.635 -2.632 1.00 0.00 C ATOM 1311 CD2 PHE A 82 -4.459 -4.449 -0.988 1.00 0.00 C ATOM 1312 CE1 PHE A 82 -5.311 -2.427 -2.659 1.00 0.00 C ATOM 1313 CE2 PHE A 82 -3.785 -3.243 -1.010 1.00 0.00 C ATOM 1314 CZ PHE A 82 -4.212 -2.230 -1.846 1.00 0.00 C ATOM 0 H PHE A 82 -6.875 -6.265 0.840 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.239 -5.093 -1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.674 -6.713 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.438 -6.318 -2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.840 -3.783 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.121 -5.237 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.646 -1.637 -3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.925 -3.093 -0.374 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.688 -1.286 -1.864 1.00 0.00 H new ATOM 1324 N GLU A 83 -9.699 -7.104 -1.571 1.00 0.00 N ATOM 1325 CA GLU A 83 -10.533 -8.281 -1.783 1.00 0.00 C ATOM 1326 C GLU A 83 -10.683 -8.581 -3.271 1.00 0.00 C ATOM 1327 O GLU A 83 -10.738 -7.671 -4.097 1.00 0.00 O ATOM 1328 CB GLU A 83 -11.912 -8.077 -1.151 1.00 0.00 C ATOM 1329 CG GLU A 83 -11.857 -7.681 0.315 1.00 0.00 C ATOM 1330 CD GLU A 83 -13.080 -6.899 0.754 1.00 0.00 C ATOM 1331 OE1 GLU A 83 -14.178 -7.493 0.798 1.00 0.00 O ATOM 1332 OE2 GLU A 83 -12.939 -5.696 1.054 1.00 0.00 O ATOM 0 H GLU A 83 -10.189 -6.215 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.045 -9.131 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.447 -7.307 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.487 -8.998 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.765 -8.578 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.964 -7.082 0.492 1.00 0.00 H new ATOM 1339 N GLY A 84 -10.747 -9.866 -3.606 1.00 0.00 N ATOM 1340 CA GLY A 84 -10.889 -10.265 -4.995 1.00 0.00 C ATOM 1341 C GLY A 84 -9.589 -10.768 -5.589 1.00 0.00 C ATOM 1342 O GLY A 84 -9.385 -10.701 -6.802 1.00 0.00 O ATOM 0 H GLY A 84 -10.703 -10.638 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.645 -11.046 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.248 -9.417 -5.579 1.00 0.00 H new ATOM 1346 N PHE A 85 -8.705 -11.272 -4.734 1.00 0.00 N ATOM 1347 CA PHE A 85 -7.416 -11.786 -5.182 1.00 0.00 C ATOM 1348 C PHE A 85 -7.017 -13.024 -4.383 1.00 0.00 C ATOM 1349 O PHE A 85 -6.724 -12.955 -3.190 1.00 0.00 O ATOM 1350 CB PHE A 85 -6.338 -10.708 -5.046 1.00 0.00 C ATOM 1351 CG PHE A 85 -6.187 -9.854 -6.272 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -7.176 -8.951 -6.629 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -5.057 -9.953 -7.067 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -7.040 -8.164 -7.757 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -4.915 -9.168 -8.196 1.00 0.00 C ATOM 1356 CZ PHE A 85 -5.908 -8.271 -8.541 1.00 0.00 C ATOM 0 H PHE A 85 -8.858 -11.335 -3.727 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.509 -12.066 -6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.579 -10.070 -4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.383 -11.186 -4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.063 -8.861 -6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.278 -10.652 -6.802 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.819 -7.465 -8.025 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.029 -9.256 -8.808 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.799 -7.655 -9.422 1.00 0.00 H new ATOM 1366 N PRO A 86 -7.006 -14.184 -5.057 1.00 0.00 N ATOM 1367 CA PRO A 86 -6.645 -15.459 -4.431 1.00 0.00 C ATOM 1368 C PRO A 86 -5.162 -15.534 -4.082 1.00 0.00 C ATOM 1369 O PRO A 86 -4.316 -15.016 -4.810 1.00 0.00 O ATOM 1370 CB PRO A 86 -6.994 -16.493 -5.505 1.00 0.00 C ATOM 1371 CG PRO A 86 -6.911 -15.746 -6.791 1.00 0.00 C ATOM 1372 CD PRO A 86 -7.344 -14.339 -6.482 1.00 0.00 C ATOM 0 HA PRO A 86 -7.168 -15.612 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.298 -17.331 -5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.991 -16.904 -5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.896 -15.764 -7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.556 -16.196 -7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.819 -13.612 -7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.410 -14.198 -6.660 1.00 0.00 H new ATOM 1380 N TYR A 87 -4.855 -16.183 -2.964 1.00 0.00 N ATOM 1381 CA TYR A 87 -3.474 -16.324 -2.517 1.00 0.00 C ATOM 1382 C TYR A 87 -2.578 -16.796 -3.658 1.00 0.00 C ATOM 1383 O TYR A 87 -1.554 -16.180 -3.952 1.00 0.00 O ATOM 1384 CB TYR A 87 -3.392 -17.309 -1.350 1.00 0.00 C ATOM 1385 CG TYR A 87 -1.983 -17.757 -1.033 1.00 0.00 C ATOM 1386 CD1 TYR A 87 -1.392 -18.801 -1.733 1.00 0.00 C ATOM 1387 CD2 TYR A 87 -1.244 -17.136 -0.034 1.00 0.00 C ATOM 1388 CE1 TYR A 87 -0.105 -19.215 -1.446 1.00 0.00 C ATOM 1389 CE2 TYR A 87 0.044 -17.541 0.258 1.00 0.00 C ATOM 1390 CZ TYR A 87 0.609 -18.581 -0.451 1.00 0.00 C ATOM 1391 OH TYR A 87 1.891 -18.989 -0.162 1.00 0.00 O ATOM 0 H TYR A 87 -5.544 -16.620 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.125 -15.346 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.825 -16.846 -0.463 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.999 -18.184 -1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.948 -19.298 -2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.684 -16.323 0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.339 -20.030 -1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.605 -17.046 1.037 1.00 0.00 H new ATOM 0 HH TYR A 87 2.254 -18.439 0.563 1.00 0.00 H new ATOM 1401 N GLU A 88 -2.973 -17.892 -4.299 1.00 0.00 N ATOM 1402 CA GLU A 88 -2.206 -18.446 -5.408 1.00 0.00 C ATOM 1403 C GLU A 88 -1.780 -17.348 -6.377 1.00 0.00 C ATOM 1404 O GLU A 88 -0.780 -17.480 -7.083 1.00 0.00 O ATOM 1405 CB GLU A 88 -3.028 -19.504 -6.147 1.00 0.00 C ATOM 1406 CG GLU A 88 -4.220 -18.933 -6.897 1.00 0.00 C ATOM 1407 CD GLU A 88 -4.607 -19.771 -8.101 1.00 0.00 C ATOM 1408 OE1 GLU A 88 -3.782 -19.893 -9.030 1.00 0.00 O ATOM 1409 OE2 GLU A 88 -5.737 -20.304 -8.112 1.00 0.00 O ATOM 0 H GLU A 88 -3.819 -18.413 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.310 -18.913 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.382 -20.027 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.381 -20.244 -5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.071 -18.862 -6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.988 -17.919 -7.224 1.00 0.00 H new ATOM 1416 N LYS A 89 -2.546 -16.263 -6.407 1.00 0.00 N ATOM 1417 CA LYS A 89 -2.250 -15.140 -7.288 1.00 0.00 C ATOM 1418 C LYS A 89 -1.495 -14.045 -6.540 1.00 0.00 C ATOM 1419 O LYS A 89 -0.391 -13.663 -6.928 1.00 0.00 O ATOM 1420 CB LYS A 89 -3.543 -14.572 -7.877 1.00 0.00 C ATOM 1421 CG LYS A 89 -4.096 -15.388 -9.033 1.00 0.00 C ATOM 1422 CD LYS A 89 -5.072 -14.579 -9.870 1.00 0.00 C ATOM 1423 CE LYS A 89 -5.830 -15.461 -10.851 1.00 0.00 C ATOM 1424 NZ LYS A 89 -4.972 -15.885 -11.991 1.00 0.00 N ATOM 0 H LYS A 89 -3.378 -16.138 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.618 -15.504 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.296 -14.515 -7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.360 -13.553 -8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.275 -15.733 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.596 -16.276 -8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.779 -14.070 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.531 -13.807 -10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.206 -16.343 -10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.697 -14.921 -11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.524 -16.484 -12.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.634 -15.045 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.158 -16.423 -11.631 1.00 0.00 H new ATOM 1438 N VAL A 90 -2.098 -13.546 -5.466 1.00 0.00 N ATOM 1439 CA VAL A 90 -1.481 -12.497 -4.662 1.00 0.00 C ATOM 1440 C VAL A 90 0.022 -12.716 -4.533 1.00 0.00 C ATOM 1441 O VAL A 90 0.802 -11.764 -4.542 1.00 0.00 O ATOM 1442 CB VAL A 90 -2.102 -12.432 -3.254 1.00 0.00 C ATOM 1443 CG1 VAL A 90 -1.383 -13.381 -2.308 1.00 0.00 C ATOM 1444 CG2 VAL A 90 -2.066 -11.007 -2.722 1.00 0.00 C ATOM 0 H VAL A 90 -3.012 -13.851 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.665 -11.554 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.144 -12.745 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.836 -13.321 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.466 -14.401 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.331 -13.102 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.509 -10.979 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.033 -10.664 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.631 -10.355 -3.389 1.00 0.00 H new ATOM 1454 N VAL A 91 0.423 -13.978 -4.413 1.00 0.00 N ATOM 1455 CA VAL A 91 1.834 -14.323 -4.284 1.00 0.00 C ATOM 1456 C VAL A 91 2.610 -13.942 -5.539 1.00 0.00 C ATOM 1457 O VAL A 91 3.726 -13.429 -5.459 1.00 0.00 O ATOM 1458 CB VAL A 91 2.021 -15.828 -4.015 1.00 0.00 C ATOM 1459 CG1 VAL A 91 1.479 -16.197 -2.642 1.00 0.00 C ATOM 1460 CG2 VAL A 91 1.347 -16.651 -5.102 1.00 0.00 C ATOM 0 H VAL A 91 -0.209 -14.778 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 91 2.222 -13.759 -3.436 1.00 0.00 H new ATOM 0 HB VAL A 91 3.088 -16.052 -4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.620 -17.264 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.012 -15.633 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.416 -15.959 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.489 -17.712 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.281 -16.425 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.787 -16.407 -6.069 1.00 0.00 H new ATOM 1470 N GLN A 92 2.011 -14.195 -6.698 1.00 0.00 N ATOM 1471 CA GLN A 92 2.647 -13.878 -7.972 1.00 0.00 C ATOM 1472 C GLN A 92 2.802 -12.371 -8.143 1.00 0.00 C ATOM 1473 O GLN A 92 3.563 -11.908 -8.992 1.00 0.00 O ATOM 1474 CB GLN A 92 1.831 -14.454 -9.131 1.00 0.00 C ATOM 1475 CG GLN A 92 1.580 -15.949 -9.014 1.00 0.00 C ATOM 1476 CD GLN A 92 1.238 -16.588 -10.345 1.00 0.00 C ATOM 1477 OE1 GLN A 92 2.084 -17.218 -10.981 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.009 -16.431 -10.775 1.00 0.00 N ATOM 0 H GLN A 92 1.087 -14.618 -6.782 1.00 0.00 H new ATOM 0 HA GLN A 92 3.639 -14.329 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.873 -13.936 -9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.353 -14.254 -10.067 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.466 -16.431 -8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.765 -16.123 -8.311 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.678 -15.901 -10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.297 -16.840 -11.664 1.00 0.00 H new ATOM 1487 N ARG A 93 2.074 -11.611 -7.331 1.00 0.00 N ATOM 1488 CA ARG A 93 2.130 -10.155 -7.394 1.00 0.00 C ATOM 1489 C ARG A 93 3.242 -9.614 -6.500 1.00 0.00 C ATOM 1490 O ARG A 93 3.777 -10.333 -5.656 1.00 0.00 O ATOM 1491 CB ARG A 93 0.787 -9.554 -6.975 1.00 0.00 C ATOM 1492 CG ARG A 93 -0.359 -9.914 -7.906 1.00 0.00 C ATOM 1493 CD ARG A 93 -0.211 -9.237 -9.260 1.00 0.00 C ATOM 1494 NE ARG A 93 -1.503 -8.998 -9.897 1.00 0.00 N ATOM 1495 CZ ARG A 93 -2.162 -9.919 -10.591 1.00 0.00 C ATOM 1496 NH1 ARG A 93 -1.652 -11.135 -10.736 1.00 0.00 N ATOM 1497 NH2 ARG A 93 -3.333 -9.626 -11.141 1.00 0.00 N ATOM 0 H ARG A 93 1.439 -11.979 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 93 2.344 -9.869 -8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.546 -9.893 -5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.882 -8.469 -6.932 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.394 -10.995 -8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.305 -9.619 -7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.313 -8.289 -9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.404 -9.858 -9.911 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.922 -8.073 -9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.752 -11.364 -10.314 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.160 -11.841 -11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.729 -8.692 -11.031 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.838 -10.334 -11.674 1.00 0.00 H new ATOM 1511 N ILE A 94 3.585 -8.345 -6.694 1.00 0.00 N ATOM 1512 CA ILE A 94 4.632 -7.709 -5.905 1.00 0.00 C ATOM 1513 C ILE A 94 4.130 -6.421 -5.261 1.00 0.00 C ATOM 1514 O ILE A 94 3.395 -5.650 -5.879 1.00 0.00 O ATOM 1515 CB ILE A 94 5.870 -7.390 -6.766 1.00 0.00 C ATOM 1516 CG1 ILE A 94 6.627 -8.676 -7.104 1.00 0.00 C ATOM 1517 CG2 ILE A 94 6.779 -6.408 -6.042 1.00 0.00 C ATOM 1518 CD1 ILE A 94 7.358 -8.616 -8.427 1.00 0.00 C ATOM 0 H ILE A 94 3.153 -7.738 -7.390 1.00 0.00 H new ATOM 0 HA ILE A 94 4.913 -8.417 -5.125 1.00 0.00 H new ATOM 0 HB ILE A 94 5.539 -6.930 -7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.345 -8.885 -6.311 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.923 -9.508 -7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.649 -6.192 -6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.234 -5.484 -5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.106 -6.843 -5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 94 7.872 -9.561 -8.602 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.643 -8.438 -9.230 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.086 -7.806 -8.404 1.00 0.00 H new ATOM 1530 N LEU A 95 4.532 -6.193 -4.015 1.00 0.00 N ATOM 1531 CA LEU A 95 4.125 -4.997 -3.286 1.00 0.00 C ATOM 1532 C LEU A 95 5.001 -3.806 -3.662 1.00 0.00 C ATOM 1533 O LEU A 95 6.220 -3.841 -3.491 1.00 0.00 O ATOM 1534 CB LEU A 95 4.200 -5.245 -1.779 1.00 0.00 C ATOM 1535 CG LEU A 95 3.306 -4.361 -0.908 1.00 0.00 C ATOM 1536 CD1 LEU A 95 1.845 -4.537 -1.292 1.00 0.00 C ATOM 1537 CD2 LEU A 95 3.514 -4.680 0.565 1.00 0.00 C ATOM 0 H LEU A 95 5.140 -6.821 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 95 3.095 -4.767 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.942 -6.287 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.233 -5.109 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 95 3.582 -3.320 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.224 -3.900 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.707 -4.258 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.555 -5.579 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.870 -4.042 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.266 -5.725 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.556 -4.502 0.832 1.00 0.00 H new ATOM 1549 N TYR A 96 4.371 -2.753 -4.171 1.00 0.00 N ATOM 1550 CA TYR A 96 5.093 -1.551 -4.570 1.00 0.00 C ATOM 1551 C TYR A 96 4.723 -0.371 -3.677 1.00 0.00 C ATOM 1552 O TYR A 96 3.571 0.065 -3.649 1.00 0.00 O ATOM 1553 CB TYR A 96 4.792 -1.212 -6.031 1.00 0.00 C ATOM 1554 CG TYR A 96 5.598 -0.048 -6.561 1.00 0.00 C ATOM 1555 CD1 TYR A 96 6.913 -0.219 -6.976 1.00 0.00 C ATOM 1556 CD2 TYR A 96 5.044 1.223 -6.648 1.00 0.00 C ATOM 1557 CE1 TYR A 96 7.653 0.842 -7.460 1.00 0.00 C ATOM 1558 CE2 TYR A 96 5.776 2.290 -7.133 1.00 0.00 C ATOM 1559 CZ TYR A 96 7.081 2.095 -7.536 1.00 0.00 C ATOM 1560 OH TYR A 96 7.814 3.154 -8.019 1.00 0.00 O ATOM 0 H TYR A 96 3.363 -2.708 -4.317 1.00 0.00 H new ATOM 0 HA TYR A 96 6.160 -1.746 -4.460 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.989 -2.090 -6.647 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.731 -0.984 -6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.364 -1.199 -6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.024 1.380 -6.331 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.674 0.691 -7.777 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.329 3.271 -7.196 1.00 0.00 H new ATOM 0 HH TYR A 96 7.373 3.995 -7.776 1.00 0.00 H new ATOM 1570 N LEU A 97 5.708 0.142 -2.948 1.00 0.00 N ATOM 1571 CA LEU A 97 5.488 1.272 -2.052 1.00 0.00 C ATOM 1572 C LEU A 97 6.418 2.430 -2.399 1.00 0.00 C ATOM 1573 O LEU A 97 7.640 2.302 -2.318 1.00 0.00 O ATOM 1574 CB LEU A 97 5.704 0.847 -0.599 1.00 0.00 C ATOM 1575 CG LEU A 97 4.979 -0.425 -0.157 1.00 0.00 C ATOM 1576 CD1 LEU A 97 5.652 -1.024 1.069 1.00 0.00 C ATOM 1577 CD2 LEU A 97 3.513 -0.131 0.127 1.00 0.00 C ATOM 0 H LEU A 97 6.667 -0.206 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 97 4.458 1.607 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.773 0.707 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.388 1.665 0.049 1.00 0.00 H new ATOM 0 HG LEU A 97 5.033 -1.152 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.123 -1.928 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.687 -1.271 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.629 -0.302 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.012 -1.047 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.438 0.613 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.037 0.252 -0.776 1.00 0.00 H new ATOM 1589 N GLN A 98 5.832 3.560 -2.782 1.00 0.00 N ATOM 1590 CA GLN A 98 6.609 4.741 -3.139 1.00 0.00 C ATOM 1591 C GLN A 98 6.187 5.944 -2.302 1.00 0.00 C ATOM 1592 O GLN A 98 4.998 6.242 -2.180 1.00 0.00 O ATOM 1593 CB GLN A 98 6.442 5.056 -4.627 1.00 0.00 C ATOM 1594 CG GLN A 98 7.294 6.223 -5.100 1.00 0.00 C ATOM 1595 CD GLN A 98 7.210 6.436 -6.599 1.00 0.00 C ATOM 1596 OE1 GLN A 98 6.369 5.844 -7.276 1.00 0.00 O ATOM 1597 NE2 GLN A 98 8.085 7.285 -7.126 1.00 0.00 N ATOM 0 H GLN A 98 4.822 3.682 -2.853 1.00 0.00 H new ATOM 0 HA GLN A 98 7.659 4.530 -2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.698 4.170 -5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.394 5.277 -4.828 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.975 7.132 -4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.332 6.047 -4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.765 7.754 -6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.077 7.468 -8.129 1.00 0.00 H new ATOM 1606 N VAL A 99 7.168 6.632 -1.727 1.00 0.00 N ATOM 1607 CA VAL A 99 6.898 7.803 -0.902 1.00 0.00 C ATOM 1608 C VAL A 99 7.309 9.085 -1.616 1.00 0.00 C ATOM 1609 O VAL A 99 8.497 9.345 -1.815 1.00 0.00 O ATOM 1610 CB VAL A 99 7.637 7.721 0.448 1.00 0.00 C ATOM 1611 CG1 VAL A 99 7.609 9.068 1.154 1.00 0.00 C ATOM 1612 CG2 VAL A 99 7.026 6.638 1.324 1.00 0.00 C ATOM 0 H VAL A 99 8.157 6.399 -1.817 1.00 0.00 H new ATOM 0 HA VAL A 99 5.824 7.821 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 99 8.678 7.459 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.135 8.991 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.096 9.817 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.575 9.363 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.560 6.594 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.977 6.868 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.103 5.675 0.819 1.00 0.00 H new ATOM 1622 N LEU A 100 6.320 9.885 -2.001 1.00 0.00 N ATOM 1623 CA LEU A 100 6.578 11.142 -2.694 1.00 0.00 C ATOM 1624 C LEU A 100 5.874 12.303 -1.997 1.00 0.00 C ATOM 1625 O LEU A 100 5.227 12.120 -0.966 1.00 0.00 O ATOM 1626 CB LEU A 100 6.116 11.050 -4.149 1.00 0.00 C ATOM 1627 CG LEU A 100 6.256 9.679 -4.812 1.00 0.00 C ATOM 1628 CD1 LEU A 100 5.071 8.793 -4.460 1.00 0.00 C ATOM 1629 CD2 LEU A 100 6.385 9.827 -6.321 1.00 0.00 C ATOM 0 H LEU A 100 5.332 9.685 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 100 7.652 11.326 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.069 11.349 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.681 11.774 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 100 7.162 9.205 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.188 7.822 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.025 8.660 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.150 9.262 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.484 8.841 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.497 10.322 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.267 10.424 -6.554 1.00 0.00 H new ATOM 1641 N ASP A 101 6.003 13.495 -2.569 1.00 0.00 N ATOM 1642 CA ASP A 101 5.376 14.685 -2.005 1.00 0.00 C ATOM 1643 C ASP A 101 4.334 15.255 -2.962 1.00 0.00 C ATOM 1644 O ASP A 101 4.668 15.746 -4.040 1.00 0.00 O ATOM 1645 CB ASP A 101 6.434 15.745 -1.693 1.00 0.00 C ATOM 1646 CG ASP A 101 7.257 15.399 -0.468 1.00 0.00 C ATOM 1647 OD1 ASP A 101 6.716 14.735 0.442 1.00 0.00 O ATOM 1648 OD2 ASP A 101 8.441 15.790 -0.419 1.00 0.00 O ATOM 0 H ASP A 101 6.536 13.663 -3.422 1.00 0.00 H new ATOM 0 HA ASP A 101 4.876 14.399 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.096 15.857 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.946 16.707 -1.539 1.00 0.00 H new ATOM 1791 N PRO A 110 9.549 12.391 -7.018 1.00 0.00 N ATOM 1792 CA PRO A 110 9.701 11.108 -6.325 1.00 0.00 C ATOM 1793 C PRO A 110 10.902 11.096 -5.385 1.00 0.00 C ATOM 1794 O PRO A 110 12.007 11.478 -5.770 1.00 0.00 O ATOM 1795 CB PRO A 110 9.905 10.110 -7.467 1.00 0.00 C ATOM 1796 CG PRO A 110 10.468 10.920 -8.582 1.00 0.00 C ATOM 1797 CD PRO A 110 9.851 12.285 -8.455 1.00 0.00 C ATOM 0 HA PRO A 110 8.843 10.882 -5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 110 10.585 9.310 -7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.965 9.640 -7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.555 10.975 -8.514 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.231 10.473 -9.547 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.537 13.068 -8.780 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.951 12.377 -9.063 1.00 0.00 H new ATOM 1805 N ILE A 111 10.677 10.655 -4.152 1.00 0.00 N ATOM 1806 CA ILE A 111 11.742 10.591 -3.158 1.00 0.00 C ATOM 1807 C ILE A 111 12.385 9.209 -3.129 1.00 0.00 C ATOM 1808 O ILE A 111 13.608 9.081 -3.169 1.00 0.00 O ATOM 1809 CB ILE A 111 11.219 10.932 -1.750 1.00 0.00 C ATOM 1810 CG1 ILE A 111 10.411 12.231 -1.783 1.00 0.00 C ATOM 1811 CG2 ILE A 111 12.376 11.047 -0.769 1.00 0.00 C ATOM 1812 CD1 ILE A 111 9.549 12.437 -0.557 1.00 0.00 C ATOM 0 H ILE A 111 9.768 10.337 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 111 12.489 11.330 -3.448 1.00 0.00 H new ATOM 0 HB ILE A 111 10.564 10.127 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 111 11.096 13.073 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.775 12.232 -2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 111 11.991 11.288 0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.914 10.100 -0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.054 11.835 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 111 9.005 13.377 -0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.840 11.614 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 111 10.181 12.469 0.331 1.00 0.00 H new ATOM 1824 N GLY A 112 11.551 8.175 -3.061 1.00 0.00 N ATOM 1825 CA GLY A 112 12.057 6.815 -3.029 1.00 0.00 C ATOM 1826 C GLY A 112 10.946 5.784 -3.051 1.00 0.00 C ATOM 1827 O GLY A 112 9.805 6.084 -2.704 1.00 0.00 O ATOM 0 H GLY A 112 10.535 8.255 -3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.715 6.655 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.660 6.676 -2.132 1.00 0.00 H new ATOM 1831 N GLU A 113 11.281 4.565 -3.463 1.00 0.00 N ATOM 1832 CA GLU A 113 10.302 3.486 -3.531 1.00 0.00 C ATOM 1833 C GLU A 113 10.923 2.160 -3.104 1.00 0.00 C ATOM 1834 O GLU A 113 12.131 2.069 -2.885 1.00 0.00 O ATOM 1835 CB GLU A 113 9.741 3.366 -4.950 1.00 0.00 C ATOM 1836 CG GLU A 113 10.761 2.891 -5.970 1.00 0.00 C ATOM 1837 CD GLU A 113 10.981 1.391 -5.920 1.00 0.00 C ATOM 1838 OE1 GLU A 113 9.987 0.651 -5.762 1.00 0.00 O ATOM 1839 OE2 GLU A 113 12.146 0.957 -6.037 1.00 0.00 O ATOM 0 H GLU A 113 12.222 4.300 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 113 9.489 3.724 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.899 2.674 -4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.353 4.336 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.428 3.173 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.709 3.400 -5.794 1.00 0.00 H new ATOM 1846 N VAL A 114 10.088 1.132 -2.988 1.00 0.00 N ATOM 1847 CA VAL A 114 10.553 -0.190 -2.588 1.00 0.00 C ATOM 1848 C VAL A 114 9.768 -1.287 -3.297 1.00 0.00 C ATOM 1849 O VAL A 114 8.556 -1.175 -3.486 1.00 0.00 O ATOM 1850 CB VAL A 114 10.434 -0.390 -1.065 1.00 0.00 C ATOM 1851 CG1 VAL A 114 11.358 -1.505 -0.599 1.00 0.00 C ATOM 1852 CG2 VAL A 114 10.737 0.907 -0.332 1.00 0.00 C ATOM 0 H VAL A 114 9.085 1.190 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 114 11.603 -0.256 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 114 9.409 -0.680 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.260 -1.632 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 114 11.088 -2.435 -1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.389 -1.249 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.648 0.747 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.751 1.230 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.029 1.675 -0.644 1.00 0.00 H new ATOM 1862 N SER A 115 10.465 -2.349 -3.687 1.00 0.00 N ATOM 1863 CA SER A 115 9.833 -3.467 -4.379 1.00 0.00 C ATOM 1864 C SER A 115 10.109 -4.781 -3.654 1.00 0.00 C ATOM 1865 O SER A 115 11.260 -5.192 -3.507 1.00 0.00 O ATOM 1866 CB SER A 115 10.337 -3.552 -5.821 1.00 0.00 C ATOM 1867 OG SER A 115 11.623 -4.144 -5.878 1.00 0.00 O ATOM 0 H SER A 115 11.468 -2.459 -3.536 1.00 0.00 H new ATOM 0 HA SER A 115 8.757 -3.296 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 115 9.638 -4.135 -6.420 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.373 -2.553 -6.256 1.00 0.00 H new ATOM 0 HG SER A 115 11.901 -4.411 -4.977 1.00 0.00 H new ATOM 1873 N ILE A 116 9.044 -5.434 -3.202 1.00 0.00 N ATOM 1874 CA ILE A 116 9.170 -6.701 -2.492 1.00 0.00 C ATOM 1875 C ILE A 116 8.043 -7.656 -2.869 1.00 0.00 C ATOM 1876 O ILE A 116 6.860 -7.342 -2.739 1.00 0.00 O ATOM 1877 CB ILE A 116 9.165 -6.495 -0.966 1.00 0.00 C ATOM 1878 CG1 ILE A 116 10.412 -5.724 -0.529 1.00 0.00 C ATOM 1879 CG2 ILE A 116 9.087 -7.836 -0.251 1.00 0.00 C ATOM 1880 CD1 ILE A 116 10.447 -5.421 0.952 1.00 0.00 C ATOM 0 H ILE A 116 8.084 -5.107 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 116 10.125 -7.135 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 116 8.286 -5.909 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 116 11.298 -6.301 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.463 -4.788 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 116 9.084 -7.674 0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.172 -8.351 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 116 9.949 -8.445 -0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 116 11.359 -4.873 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.580 -4.817 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.427 -6.354 1.515 1.00 0.00 H new ATOM 1892 N PRO A 117 8.416 -8.853 -3.347 1.00 0.00 N ATOM 1893 CA PRO A 117 7.451 -9.880 -3.750 1.00 0.00 C ATOM 1894 C PRO A 117 6.709 -10.477 -2.559 1.00 0.00 C ATOM 1895 O PRO A 117 7.324 -11.009 -1.634 1.00 0.00 O ATOM 1896 CB PRO A 117 8.324 -10.942 -4.423 1.00 0.00 C ATOM 1897 CG PRO A 117 9.672 -10.766 -3.814 1.00 0.00 C ATOM 1898 CD PRO A 117 9.808 -9.296 -3.529 1.00 0.00 C ATOM 0 HA PRO A 117 6.672 -9.476 -4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 117 7.936 -11.945 -4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.356 -10.801 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.767 -11.351 -2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.454 -11.106 -4.492 1.00 0.00 H new ATOM 0 HD2 PRO A 117 10.408 -9.114 -2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.293 -8.770 -4.352 1.00 0.00 H new ATOM 1906 N LEU A 118 5.384 -10.388 -2.589 1.00 0.00 N ATOM 1907 CA LEU A 118 4.556 -10.920 -1.512 1.00 0.00 C ATOM 1908 C LEU A 118 4.747 -12.427 -1.372 1.00 0.00 C ATOM 1909 O LEU A 118 4.311 -13.030 -0.393 1.00 0.00 O ATOM 1910 CB LEU A 118 3.082 -10.603 -1.770 1.00 0.00 C ATOM 1911 CG LEU A 118 2.657 -9.153 -1.535 1.00 0.00 C ATOM 1912 CD1 LEU A 118 1.376 -8.843 -2.294 1.00 0.00 C ATOM 1913 CD2 LEU A 118 2.476 -8.884 -0.048 1.00 0.00 C ATOM 0 H LEU A 118 4.860 -9.952 -3.348 1.00 0.00 H new ATOM 0 HA LEU A 118 4.865 -10.445 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.850 -10.866 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.476 -11.246 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 118 3.445 -8.499 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.089 -7.807 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.539 -8.995 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.581 -9.505 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.174 -7.847 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.708 -9.547 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.417 -9.065 0.472 1.00 0.00 H new ATOM 1925 N ASN A 119 5.404 -13.029 -2.359 1.00 0.00 N ATOM 1926 CA ASN A 119 5.654 -14.465 -2.345 1.00 0.00 C ATOM 1927 C ASN A 119 6.807 -14.808 -1.406 1.00 0.00 C ATOM 1928 O ASN A 119 6.869 -15.908 -0.856 1.00 0.00 O ATOM 1929 CB ASN A 119 5.968 -14.963 -3.758 1.00 0.00 C ATOM 1930 CG ASN A 119 6.700 -16.290 -3.754 1.00 0.00 C ATOM 1931 OD1 ASN A 119 7.878 -16.361 -3.402 1.00 0.00 O ATOM 1932 ND2 ASN A 119 6.005 -17.351 -4.147 1.00 0.00 N ATOM 0 H ASN A 119 5.772 -12.544 -3.178 1.00 0.00 H new ATOM 0 HA ASN A 119 4.754 -14.961 -1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.039 -15.065 -4.319 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.573 -14.219 -4.276 1.00 0.00 H new ATOM 0 HD21 ASN A 119 6.445 -18.271 -4.166 1.00 0.00 H new ATOM 0 HD22 ASN A 119 5.031 -17.246 -4.430 1.00 0.00 H new ATOM 1939 N LYS A 120 7.718 -13.858 -1.226 1.00 0.00 N ATOM 1940 CA LYS A 120 8.868 -14.056 -0.352 1.00 0.00 C ATOM 1941 C LYS A 120 8.475 -13.888 1.112 1.00 0.00 C ATOM 1942 O LYS A 120 8.856 -14.690 1.964 1.00 0.00 O ATOM 1943 CB LYS A 120 9.982 -13.070 -0.709 1.00 0.00 C ATOM 1944 CG LYS A 120 10.687 -13.394 -2.015 1.00 0.00 C ATOM 1945 CD LYS A 120 11.639 -14.568 -1.859 1.00 0.00 C ATOM 1946 CE LYS A 120 12.190 -15.021 -3.202 1.00 0.00 C ATOM 1947 NZ LYS A 120 13.349 -14.192 -3.634 1.00 0.00 N ATOM 0 H LYS A 120 7.682 -12.942 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 120 9.232 -15.073 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.561 -12.067 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.716 -13.057 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 120 9.947 -13.624 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.240 -12.519 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.463 -14.285 -1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.120 -15.398 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.495 -16.065 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.403 -14.966 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.696 -14.532 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.052 -13.199 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.110 -14.265 -2.929 1.00 0.00 H new ATOM 1961 N VAL A 121 7.708 -12.840 1.397 1.00 0.00 N ATOM 1962 CA VAL A 121 7.261 -12.567 2.758 1.00 0.00 C ATOM 1963 C VAL A 121 6.300 -13.645 3.246 1.00 0.00 C ATOM 1964 O VAL A 121 5.398 -14.062 2.520 1.00 0.00 O ATOM 1965 CB VAL A 121 6.569 -11.195 2.857 1.00 0.00 C ATOM 1966 CG1 VAL A 121 5.608 -10.996 1.695 1.00 0.00 C ATOM 1967 CG2 VAL A 121 5.845 -11.059 4.188 1.00 0.00 C ATOM 0 H VAL A 121 7.383 -12.166 0.703 1.00 0.00 H new ATOM 0 HA VAL A 121 8.150 -12.563 3.389 1.00 0.00 H new ATOM 0 HB VAL A 121 7.332 -10.418 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.129 -10.021 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.158 -11.047 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.848 -11.777 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.362 -10.084 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.092 -11.842 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.562 -11.154 5.004 1.00 0.00 H new ATOM 1977 N ASP A 122 6.500 -14.092 4.481 1.00 0.00 N ATOM 1978 CA ASP A 122 5.650 -15.121 5.069 1.00 0.00 C ATOM 1979 C ASP A 122 4.243 -14.587 5.320 1.00 0.00 C ATOM 1980 O ASP A 122 3.899 -14.217 6.443 1.00 0.00 O ATOM 1981 CB ASP A 122 6.257 -15.629 6.378 1.00 0.00 C ATOM 1982 CG ASP A 122 7.541 -16.405 6.158 1.00 0.00 C ATOM 1983 OD1 ASP A 122 7.521 -17.371 5.367 1.00 0.00 O ATOM 1984 OD2 ASP A 122 8.565 -16.047 6.777 1.00 0.00 O ATOM 0 H ASP A 122 7.243 -13.758 5.094 1.00 0.00 H new ATOM 0 HA ASP A 122 5.584 -15.949 4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.456 -14.783 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.534 -16.266 6.887 1.00 0.00 H new ATOM 1989 N LEU A 123 3.435 -14.547 4.267 1.00 0.00 N ATOM 1990 CA LEU A 123 2.065 -14.056 4.372 1.00 0.00 C ATOM 1991 C LEU A 123 1.299 -14.809 5.455 1.00 0.00 C ATOM 1992 O LEU A 123 0.293 -14.322 5.972 1.00 0.00 O ATOM 1993 CB LEU A 123 1.346 -14.200 3.029 1.00 0.00 C ATOM 1994 CG LEU A 123 1.600 -13.088 2.010 1.00 0.00 C ATOM 1995 CD1 LEU A 123 0.785 -13.325 0.748 1.00 0.00 C ATOM 1996 CD2 LEU A 123 1.273 -11.729 2.611 1.00 0.00 C ATOM 0 H LEU A 123 3.704 -14.849 3.331 1.00 0.00 H new ATOM 0 HA LEU A 123 2.103 -13.002 4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.640 -15.150 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.274 -14.255 3.217 1.00 0.00 H new ATOM 0 HG LEU A 123 2.657 -13.100 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 123 0.978 -12.524 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.068 -14.281 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.276 -13.340 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.460 -10.950 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.224 -11.705 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 123 1.901 -11.557 3.485 1.00 0.00 H new ATOM 2008 N THR A 124 1.782 -16.000 5.796 1.00 0.00 N ATOM 2009 CA THR A 124 1.144 -16.820 6.818 1.00 0.00 C ATOM 2010 C THR A 124 0.741 -15.980 8.024 1.00 0.00 C ATOM 2011 O THR A 124 -0.293 -16.225 8.645 1.00 0.00 O ATOM 2012 CB THR A 124 2.071 -17.957 7.285 1.00 0.00 C ATOM 2013 OG1 THR A 124 3.262 -17.413 7.862 1.00 0.00 O ATOM 2014 CG2 THR A 124 2.435 -18.870 6.124 1.00 0.00 C ATOM 0 H THR A 124 2.614 -16.418 5.379 1.00 0.00 H new ATOM 0 HA THR A 124 0.252 -17.252 6.365 1.00 0.00 H new ATOM 0 HB THR A 124 1.540 -18.543 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 124 3.845 -18.143 8.158 1.00 0.00 H new ATOM 0 HG21 THR A 124 3.090 -19.666 6.478 1.00 0.00 H new ATOM 0 HG22 THR A 124 1.528 -19.306 5.706 1.00 0.00 H new ATOM 0 HG23 THR A 124 2.948 -18.293 5.354 1.00 0.00 H new ATOM 2022 N GLN A 125 1.564 -14.988 8.351 1.00 0.00 N ATOM 2023 CA GLN A 125 1.292 -14.112 9.484 1.00 0.00 C ATOM 2024 C GLN A 125 1.876 -12.722 9.250 1.00 0.00 C ATOM 2025 O GLN A 125 2.709 -12.530 8.365 1.00 0.00 O ATOM 2026 CB GLN A 125 1.869 -14.710 10.768 1.00 0.00 C ATOM 2027 CG GLN A 125 1.198 -16.008 11.190 1.00 0.00 C ATOM 2028 CD GLN A 125 1.999 -16.769 12.228 1.00 0.00 C ATOM 2029 OE1 GLN A 125 3.182 -17.050 12.032 1.00 0.00 O ATOM 2030 NE2 GLN A 125 1.358 -17.106 13.340 1.00 0.00 N ATOM 0 H GLN A 125 2.424 -14.771 7.847 1.00 0.00 H new ATOM 0 HA GLN A 125 0.211 -14.020 9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 125 2.935 -14.891 10.628 1.00 0.00 H new ATOM 0 HB3 GLN A 125 1.772 -13.982 11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 125 0.208 -15.787 11.590 1.00 0.00 H new ATOM 0 HG3 GLN A 125 1.054 -16.640 10.313 1.00 0.00 H new ATOM 0 HE21 GLN A 125 0.377 -16.852 13.460 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.846 -17.619 14.075 1.00 0.00 H new ATOM 2039 N MET A 126 1.432 -11.757 10.048 1.00 0.00 N ATOM 2040 CA MET A 126 1.911 -10.385 9.928 1.00 0.00 C ATOM 2041 C MET A 126 3.384 -10.288 10.311 1.00 0.00 C ATOM 2042 O MET A 126 3.805 -10.829 11.333 1.00 0.00 O ATOM 2043 CB MET A 126 1.080 -9.453 10.811 1.00 0.00 C ATOM 2044 CG MET A 126 1.328 -7.978 10.541 1.00 0.00 C ATOM 2045 SD MET A 126 -0.065 -6.939 11.020 1.00 0.00 S ATOM 2046 CE MET A 126 -0.783 -6.575 9.420 1.00 0.00 C ATOM 0 H MET A 126 0.741 -11.900 10.785 1.00 0.00 H new ATOM 0 HA MET A 126 1.804 -10.079 8.887 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.023 -9.669 10.659 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.301 -9.665 11.857 1.00 0.00 H new ATOM 0 HG2 MET A 126 2.218 -7.658 11.083 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.533 -7.837 9.480 1.00 0.00 H new ATOM 0 HE1 MET A 126 -1.658 -5.938 9.550 1.00 0.00 H new ATOM 0 HE2 MET A 126 -0.049 -6.060 8.800 1.00 0.00 H new ATOM 0 HE3 MET A 126 -1.080 -7.505 8.934 1.00 0.00 H new ATOM 2056 N GLN A 127 4.162 -9.597 9.484 1.00 0.00 N ATOM 2057 CA GLN A 127 5.588 -9.431 9.737 1.00 0.00 C ATOM 2058 C GLN A 127 6.050 -8.029 9.352 1.00 0.00 C ATOM 2059 O GLN A 127 5.885 -7.601 8.209 1.00 0.00 O ATOM 2060 CB GLN A 127 6.390 -10.476 8.961 1.00 0.00 C ATOM 2061 CG GLN A 127 5.807 -11.878 9.047 1.00 0.00 C ATOM 2062 CD GLN A 127 5.707 -12.382 10.473 1.00 0.00 C ATOM 2063 OE1 GLN A 127 6.169 -11.728 11.408 1.00 0.00 O ATOM 2064 NE2 GLN A 127 5.102 -13.551 10.647 1.00 0.00 N ATOM 0 H GLN A 127 3.829 -9.143 8.633 1.00 0.00 H new ATOM 0 HA GLN A 127 5.760 -9.570 10.804 1.00 0.00 H new ATOM 0 HB2 GLN A 127 6.443 -10.177 7.914 1.00 0.00 H new ATOM 0 HB3 GLN A 127 7.412 -10.493 9.340 1.00 0.00 H new ATOM 0 HG2 GLN A 127 4.816 -11.884 8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 127 6.427 -12.561 8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 127 4.734 -14.059 9.843 1.00 0.00 H new ATOM 0 HE22 GLN A 127 5.006 -13.941 11.585 1.00 0.00 H new ATOM 2073 N THR A 128 6.630 -7.317 10.313 1.00 0.00 N ATOM 2074 CA THR A 128 7.115 -5.964 10.075 1.00 0.00 C ATOM 2075 C THR A 128 8.380 -5.974 9.225 1.00 0.00 C ATOM 2076 O THR A 128 9.205 -6.881 9.334 1.00 0.00 O ATOM 2077 CB THR A 128 7.404 -5.230 11.398 1.00 0.00 C ATOM 2078 OG1 THR A 128 6.393 -5.542 12.363 1.00 0.00 O ATOM 2079 CG2 THR A 128 7.459 -3.725 11.182 1.00 0.00 C ATOM 0 H THR A 128 6.775 -7.656 11.264 1.00 0.00 H new ATOM 0 HA THR A 128 6.326 -5.435 9.540 1.00 0.00 H new ATOM 0 HB THR A 128 8.374 -5.563 11.768 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.508 -5.410 11.964 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.664 -3.229 12.130 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.250 -3.488 10.470 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.503 -3.378 10.791 1.00 0.00 H new ATOM 2087 N PHE A 129 8.527 -4.960 8.379 1.00 0.00 N ATOM 2088 CA PHE A 129 9.693 -4.852 7.510 1.00 0.00 C ATOM 2089 C PHE A 129 10.258 -3.435 7.531 1.00 0.00 C ATOM 2090 O PHE A 129 9.511 -2.457 7.536 1.00 0.00 O ATOM 2091 CB PHE A 129 9.325 -5.246 6.078 1.00 0.00 C ATOM 2092 CG PHE A 129 9.067 -6.716 5.907 1.00 0.00 C ATOM 2093 CD1 PHE A 129 7.793 -7.233 6.083 1.00 0.00 C ATOM 2094 CD2 PHE A 129 10.097 -7.580 5.572 1.00 0.00 C ATOM 2095 CE1 PHE A 129 7.552 -8.585 5.927 1.00 0.00 C ATOM 2096 CE2 PHE A 129 9.861 -8.932 5.414 1.00 0.00 C ATOM 2097 CZ PHE A 129 8.587 -9.436 5.593 1.00 0.00 C ATOM 0 H PHE A 129 7.853 -4.201 8.277 1.00 0.00 H new ATOM 0 HA PHE A 129 10.458 -5.534 7.882 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.437 -4.692 5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 129 10.132 -4.947 5.409 1.00 0.00 H new ATOM 0 HD1 PHE A 129 6.980 -6.572 6.345 1.00 0.00 H new ATOM 0 HD2 PHE A 129 11.095 -7.192 5.433 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.555 -8.976 6.066 1.00 0.00 H new ATOM 0 HE2 PHE A 129 10.672 -9.595 5.151 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.401 -10.493 5.472 1.00 0.00 H new ATOM 2107 N TRP A 130 11.582 -3.334 7.544 1.00 0.00 N ATOM 2108 CA TRP A 130 12.249 -2.037 7.565 1.00 0.00 C ATOM 2109 C TRP A 130 13.226 -1.908 6.402 1.00 0.00 C ATOM 2110 O TRP A 130 14.317 -2.477 6.428 1.00 0.00 O ATOM 2111 CB TRP A 130 12.987 -1.841 8.891 1.00 0.00 C ATOM 2112 CG TRP A 130 12.098 -1.364 10.000 1.00 0.00 C ATOM 2113 CD1 TRP A 130 11.482 -2.133 10.945 1.00 0.00 C ATOM 2114 CD2 TRP A 130 11.726 -0.009 10.278 1.00 0.00 C ATOM 2115 NE1 TRP A 130 10.749 -1.339 11.793 1.00 0.00 N ATOM 2116 CE2 TRP A 130 10.883 -0.032 11.406 1.00 0.00 C ATOM 2117 CE3 TRP A 130 12.025 1.220 9.685 1.00 0.00 C ATOM 2118 CZ2 TRP A 130 10.336 1.127 11.949 1.00 0.00 C ATOM 2119 CZ3 TRP A 130 11.481 2.370 10.225 1.00 0.00 C ATOM 2120 CH2 TRP A 130 10.645 2.317 11.348 1.00 0.00 C ATOM 0 H TRP A 130 12.215 -4.134 7.540 1.00 0.00 H new ATOM 0 HA TRP A 130 11.488 -1.264 7.463 1.00 0.00 H new ATOM 0 HB2 TRP A 130 13.448 -2.784 9.185 1.00 0.00 H new ATOM 0 HB3 TRP A 130 13.794 -1.122 8.747 1.00 0.00 H new ATOM 0 HD1 TRP A 130 11.560 -3.208 11.015 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.195 -1.669 12.583 1.00 0.00 H new ATOM 0 HE3 TRP A 130 12.670 1.271 8.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.691 1.089 12.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 11.704 3.326 9.774 1.00 0.00 H new ATOM 0 HH2 TRP A 130 10.236 3.233 11.747 1.00 0.00 H new ATOM 2131 N LYS A 131 12.828 -1.155 5.381 1.00 0.00 N ATOM 2132 CA LYS A 131 13.669 -0.950 4.208 1.00 0.00 C ATOM 2133 C LYS A 131 13.936 0.535 3.983 1.00 0.00 C ATOM 2134 O LYS A 131 13.096 1.380 4.294 1.00 0.00 O ATOM 2135 CB LYS A 131 13.007 -1.554 2.968 1.00 0.00 C ATOM 2136 CG LYS A 131 12.542 -2.986 3.164 1.00 0.00 C ATOM 2137 CD LYS A 131 13.677 -3.974 2.952 1.00 0.00 C ATOM 2138 CE LYS A 131 13.153 -5.355 2.587 1.00 0.00 C ATOM 2139 NZ LYS A 131 14.082 -6.434 3.025 1.00 0.00 N ATOM 0 H LYS A 131 11.928 -0.677 5.343 1.00 0.00 H new ATOM 0 HA LYS A 131 14.622 -1.450 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.153 -0.939 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.712 -1.520 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.138 -3.104 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 131 11.732 -3.205 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.333 -3.612 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.278 -4.040 3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.177 -5.507 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 131 13.009 -5.415 1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.690 -7.359 2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 15.006 -6.304 2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.200 -6.393 4.057 1.00 0.00 H new ATOM 2153 N ASP A 132 15.108 0.846 3.440 1.00 0.00 N ATOM 2154 CA ASP A 132 15.483 2.229 3.171 1.00 0.00 C ATOM 2155 C ASP A 132 15.048 2.647 1.770 1.00 0.00 C ATOM 2156 O ASP A 132 15.563 2.141 0.772 1.00 0.00 O ATOM 2157 CB ASP A 132 16.994 2.409 3.325 1.00 0.00 C ATOM 2158 CG ASP A 132 17.782 1.519 2.383 1.00 0.00 C ATOM 2159 OD1 ASP A 132 17.740 0.284 2.561 1.00 0.00 O ATOM 2160 OD2 ASP A 132 18.440 2.058 1.469 1.00 0.00 O ATOM 0 H ASP A 132 15.815 0.159 3.178 1.00 0.00 H new ATOM 0 HA ASP A 132 14.974 2.865 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.254 3.451 3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 132 17.280 2.188 4.353 1.00 0.00 H new ATOM 2165 N LEU A 133 14.098 3.573 1.703 1.00 0.00 N ATOM 2166 CA LEU A 133 13.592 4.059 0.424 1.00 0.00 C ATOM 2167 C LEU A 133 14.735 4.306 -0.555 1.00 0.00 C ATOM 2168 O LEU A 133 15.510 5.250 -0.396 1.00 0.00 O ATOM 2169 CB LEU A 133 12.791 5.346 0.626 1.00 0.00 C ATOM 2170 CG LEU A 133 11.540 5.228 1.498 1.00 0.00 C ATOM 2171 CD1 LEU A 133 11.152 6.587 2.060 1.00 0.00 C ATOM 2172 CD2 LEU A 133 10.390 4.629 0.703 1.00 0.00 C ATOM 0 H LEU A 133 13.662 4.002 2.519 1.00 0.00 H new ATOM 0 HA LEU A 133 12.938 3.294 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.449 6.094 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 133 12.493 5.722 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 133 11.763 4.563 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.260 6.484 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 133 11.970 6.977 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.948 7.275 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.509 4.553 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 133 10.166 5.268 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.670 3.636 0.350 1.00 0.00 H new ATOM 2184 N LYS A 134 14.833 3.454 -1.570 1.00 0.00 N ATOM 2185 CA LYS A 134 15.879 3.581 -2.578 1.00 0.00 C ATOM 2186 C LYS A 134 15.635 4.797 -3.465 1.00 0.00 C ATOM 2187 O LYS A 134 14.502 5.244 -3.649 1.00 0.00 O ATOM 2188 CB LYS A 134 15.946 2.316 -3.436 1.00 0.00 C ATOM 2189 CG LYS A 134 16.609 1.141 -2.737 1.00 0.00 C ATOM 2190 CD LYS A 134 18.113 1.332 -2.633 1.00 0.00 C ATOM 2191 CE LYS A 134 18.767 0.196 -1.861 1.00 0.00 C ATOM 2192 NZ LYS A 134 19.083 -0.963 -2.740 1.00 0.00 N ATOM 0 H LYS A 134 14.200 2.668 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 134 16.830 3.714 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.935 2.031 -3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 134 16.492 2.538 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 134 16.186 1.024 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 134 16.395 0.223 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 134 18.544 1.389 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 134 18.327 2.280 -2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 134 19.683 0.556 -1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 134 18.103 -0.127 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 19.527 -1.715 -2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 18.206 -1.323 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 19.737 -0.661 -3.491 1.00 0.00 H new ATOM 2206 N PRO A 135 16.720 5.346 -4.031 1.00 0.00 N ATOM 2207 CA PRO A 135 16.648 6.516 -4.911 1.00 0.00 C ATOM 2208 C PRO A 135 15.991 6.196 -6.249 1.00 0.00 C ATOM 2209 O PRO A 135 16.598 5.565 -7.114 1.00 0.00 O ATOM 2210 CB PRO A 135 18.116 6.899 -5.113 1.00 0.00 C ATOM 2211 CG PRO A 135 18.871 5.633 -4.895 1.00 0.00 C ATOM 2212 CD PRO A 135 18.101 4.865 -3.856 1.00 0.00 C ATOM 0 HA PRO A 135 16.041 7.313 -4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 135 18.288 7.295 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 135 18.425 7.671 -4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 135 18.953 5.063 -5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 135 19.887 5.838 -4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 135 18.175 3.789 -4.015 1.00 0.00 H new ATOM 0 HD3 PRO A 135 18.472 5.065 -2.851 1.00 0.00 H new ATOM 2220 N SER A 136 14.748 6.636 -6.413 1.00 0.00 N ATOM 2221 CA SER A 136 14.008 6.393 -7.646 1.00 0.00 C ATOM 2222 C SER A 136 14.433 7.371 -8.737 1.00 0.00 C ATOM 2223 O SER A 136 13.914 7.340 -9.852 1.00 0.00 O ATOM 2224 CB SER A 136 12.503 6.515 -7.395 1.00 0.00 C ATOM 2225 OG SER A 136 11.766 5.750 -8.332 1.00 0.00 O ATOM 0 H SER A 136 14.232 7.162 -5.708 1.00 0.00 H new ATOM 0 HA SER A 136 14.233 5.381 -7.982 1.00 0.00 H new ATOM 0 HB2 SER A 136 12.271 6.179 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 136 12.204 7.561 -7.460 1.00 0.00 H new ATOM 0 HG SER A 136 12.115 5.912 -9.233 1.00 0.00 H new