USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 725 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 21 TYR OH : rot -149:sc= 0.681 USER MOD Set 1.2: A 63 GLN : amide:sc= 0.609 K(o=-2.7,f=-4.2) USER MOD Set 1.3: A 85 HIS : no HD1:sc= -4! C(o=-2.7!,f=-3.8!) USER MOD Single : A 18 SER OG : rot 28:sc= -0.446 USER MOD Single : A 19 CYS SG : rot -155:sc= -1.16 USER MOD Single : A 20 CYS SG : rot 15:sc= -1.08! USER MOD Single : A 23 SER OG : rot 160:sc= -1.04 USER MOD Single : A 30 THR OG1 : rot 163:sc= 1.4 USER MOD Single : A 40 THR OG1 : rot 135:sc= 0.66 USER MOD Single : A 41 SER OG : rot -71:sc= 1.27 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 44 HIS : no HD1:sc= 1.14 K(o=1.1,f=-4.8!) USER MOD Single : A 45 ASN : amide:sc= 0.079 K(o=0.079,f=-1.2) USER MOD Single : A 49 GLN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 51 THR OG1 : rot 111:sc= -1.57! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0165 K(o=-0.016,f=-1) USER MOD Single : A 68 HIS : no HD1:sc= -1.67! K(o=-1.7!,f=-0.19) USER MOD Single : A 76 MET CE :methyl 148:sc= -2.75! (180deg=-6.47!) USER MOD Single : A 77 SER OG : rot 71:sc= 0.746 USER MOD Single : A 78 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.1!) USER MOD Single : A 80 GLN : amide:sc= -6.75! K(o=-6.8!,f=-1.1) USER MOD Single : A 86 SER OG : rot 156:sc= 0.788 USER MOD Single : A 87 ASN : amide:sc= 0.187 X(o=0.19,f=-0.23) USER MOD Single : A 95 SER OG : rot 40:sc= 0.0737 USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= 1.23 (180deg=0.659) USER MOD Single : A 105 HIS : no HE2:sc= 0.0904 K(o=0.09,f=-1.2) USER MOD Single : A 106 MET CE :methyl -161:sc= 0 (180deg=-0.264) USER MOD Single : A 107 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.614 18.946 -5.990 1.00 10.00 N ATOM 139 CA ASP A 15 6.959 18.526 -4.716 1.00 10.00 C ATOM 140 C ASP A 15 6.233 17.275 -4.391 1.00 10.00 C ATOM 141 O ASP A 15 5.675 17.113 -3.324 1.00 10.00 O ATOM 142 CB ASP A 15 6.666 19.627 -3.725 1.00 10.00 C ATOM 143 CG ASP A 15 5.234 20.167 -3.809 1.00 10.00 C ATOM 144 OD1 ASP A 15 4.849 20.749 -4.881 1.00 10.00 O ATOM 145 OD2 ASP A 15 4.478 20.053 -2.820 1.00 10.00 O ATOM 0 HA ASP A 15 8.026 18.310 -4.665 1.00 10.00 H new ATOM 0 HB2 ASP A 15 6.845 19.253 -2.717 1.00 10.00 H new ATOM 0 HB3 ASP A 15 7.364 20.447 -3.890 1.00 10.00 H new ATOM 150 N LEU A 16 6.272 16.384 -5.307 1.00 10.00 N ATOM 151 CA LEU A 16 5.720 15.111 -5.167 1.00 10.00 C ATOM 152 C LEU A 16 6.761 14.093 -5.435 1.00 10.00 C ATOM 153 O LEU A 16 7.763 14.349 -6.098 1.00 10.00 O ATOM 154 CB LEU A 16 4.508 14.883 -6.055 1.00 10.00 C ATOM 155 CG LEU A 16 3.315 15.819 -5.920 1.00 10.00 C ATOM 156 CD1 LEU A 16 2.863 16.058 -4.497 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.466 17.074 -6.724 1.00 10.00 C ATOM 0 H LEU A 16 6.712 16.539 -6.214 1.00 10.00 H new ATOM 0 HA LEU A 16 5.363 15.022 -4.141 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.845 14.925 -7.091 1.00 10.00 H new ATOM 0 HB3 LEU A 16 4.153 13.868 -5.876 1.00 10.00 H new ATOM 0 HG LEU A 16 2.482 15.277 -6.369 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.009 16.736 -4.495 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.575 15.110 -4.043 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.679 16.501 -3.926 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.585 17.701 -6.588 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.352 17.615 -6.391 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.571 16.820 -7.779 1.00 10.00 H new ATOM 169 N VAL A 17 6.524 12.963 -4.914 1.00 10.00 N ATOM 170 CA VAL A 17 7.342 11.853 -4.984 1.00 10.00 C ATOM 171 C VAL A 17 6.411 10.638 -4.933 1.00 10.00 C ATOM 172 O VAL A 17 5.313 10.722 -4.374 1.00 10.00 O ATOM 173 CB VAL A 17 8.373 11.827 -3.811 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.979 10.487 -3.664 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.486 12.843 -3.996 1.00 10.00 C ATOM 0 H VAL A 17 5.673 12.785 -4.381 1.00 10.00 H new ATOM 0 HA VAL A 17 7.934 11.860 -5.899 1.00 10.00 H new ATOM 0 HB VAL A 17 7.812 12.084 -2.912 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.693 10.499 -2.840 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.198 9.755 -3.457 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.494 10.217 -4.586 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.176 12.784 -3.154 1.00 10.00 H new ATOM 0 HG22 VAL A 17 10.023 12.630 -4.920 1.00 10.00 H new ATOM 0 HG23 VAL A 17 9.059 13.845 -4.047 1.00 10.00 H new ATOM 185 N SER A 18 6.807 9.581 -5.532 1.00 10.00 N ATOM 186 CA SER A 18 6.034 8.396 -5.560 1.00 10.00 C ATOM 187 C SER A 18 6.915 7.220 -5.209 1.00 10.00 C ATOM 188 O SER A 18 7.902 6.937 -5.897 1.00 10.00 O ATOM 189 CB SER A 18 5.400 8.203 -6.947 1.00 10.00 C ATOM 190 OG SER A 18 4.476 7.129 -6.970 1.00 10.00 O ATOM 0 H SER A 18 7.696 9.511 -6.028 1.00 10.00 H new ATOM 0 HA SER A 18 5.228 8.471 -4.830 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.894 9.122 -7.244 1.00 10.00 H new ATOM 0 HB3 SER A 18 6.185 8.020 -7.681 1.00 10.00 H new ATOM 0 HG SER A 18 4.084 7.015 -6.079 1.00 10.00 H new ATOM 196 N CYS A 19 6.610 6.599 -4.120 1.00 10.00 N ATOM 197 CA CYS A 19 7.265 5.392 -3.750 1.00 10.00 C ATOM 198 C CYS A 19 6.389 4.255 -4.202 1.00 10.00 C ATOM 199 O CYS A 19 5.185 4.237 -3.910 1.00 10.00 O ATOM 200 CB CYS A 19 7.537 5.335 -2.248 1.00 10.00 C ATOM 201 SG CYS A 19 8.724 6.573 -1.653 1.00 10.00 S ATOM 0 H CYS A 19 5.899 6.915 -3.461 1.00 10.00 H new ATOM 0 HA CYS A 19 8.243 5.329 -4.228 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.595 5.467 -1.715 1.00 10.00 H new ATOM 0 HB3 CYS A 19 7.909 4.342 -1.996 1.00 10.00 H new ATOM 0 HG CYS A 19 9.289 6.144 -0.563 1.00 10.00 H new ATOM 207 N CYS A 20 6.961 3.360 -4.929 1.00 10.00 N ATOM 208 CA CYS A 20 6.262 2.275 -5.519 1.00 10.00 C ATOM 209 C CYS A 20 6.864 1.040 -4.909 1.00 10.00 C ATOM 210 O CYS A 20 8.024 0.792 -5.130 1.00 10.00 O ATOM 211 CB CYS A 20 6.515 2.345 -7.041 1.00 10.00 C ATOM 212 SG CYS A 20 5.612 1.171 -8.059 1.00 10.00 S ATOM 0 H CYS A 20 7.960 3.364 -5.135 1.00 10.00 H new ATOM 0 HA CYS A 20 5.185 2.287 -5.352 1.00 10.00 H new ATOM 0 HB2 CYS A 20 6.270 3.351 -7.382 1.00 10.00 H new ATOM 0 HB3 CYS A 20 7.581 2.200 -7.217 1.00 10.00 H new ATOM 0 HG CYS A 20 4.651 0.642 -7.362 1.00 10.00 H new ATOM 218 N TYR A 21 6.116 0.298 -4.096 1.00 10.00 N ATOM 219 CA TYR A 21 6.726 -0.789 -3.360 1.00 10.00 C ATOM 220 C TYR A 21 5.923 -2.057 -3.448 1.00 10.00 C ATOM 221 O TYR A 21 4.730 -2.033 -3.754 1.00 10.00 O ATOM 222 CB TYR A 21 6.877 -0.406 -1.876 1.00 10.00 C ATOM 223 CG TYR A 21 5.697 -0.472 -0.924 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.384 -1.653 -0.249 1.00 10.00 C ATOM 225 CD2 TYR A 21 4.968 0.658 -0.620 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.384 -1.694 0.690 1.00 10.00 C ATOM 227 CE2 TYR A 21 3.958 0.613 0.312 1.00 10.00 C ATOM 228 CZ TYR A 21 3.676 -0.570 0.964 1.00 10.00 C ATOM 229 OH TYR A 21 2.710 -0.622 1.913 1.00 10.00 O ATOM 0 H TYR A 21 5.117 0.428 -3.937 1.00 10.00 H new ATOM 0 HA TYR A 21 7.702 -0.967 -3.811 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.657 -1.043 -1.460 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.252 0.617 -1.848 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.940 -2.552 -0.470 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.193 1.589 -1.119 1.00 10.00 H new ATOM 0 HE1 TYR A 21 4.162 -2.616 1.208 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.386 1.502 0.533 1.00 10.00 H new ATOM 0 HH TYR A 21 1.994 0.007 1.686 1.00 10.00 H new ATOM 239 N ARG A 22 6.549 -3.163 -3.149 1.00 10.00 N ATOM 240 CA ARG A 22 5.809 -4.391 -3.057 1.00 10.00 C ATOM 241 C ARG A 22 6.136 -5.069 -1.766 1.00 10.00 C ATOM 242 O ARG A 22 7.124 -4.749 -1.098 1.00 10.00 O ATOM 243 CB ARG A 22 6.041 -5.390 -4.224 1.00 10.00 C ATOM 244 CG ARG A 22 7.245 -6.336 -4.090 1.00 10.00 C ATOM 245 CD ARG A 22 8.570 -5.665 -4.355 1.00 10.00 C ATOM 246 NE ARG A 22 9.698 -6.595 -4.149 1.00 10.00 N ATOM 247 CZ ARG A 22 10.540 -7.006 -5.113 1.00 10.00 C ATOM 248 NH1 ARG A 22 10.209 -6.860 -6.402 1.00 10.00 N ATOM 249 NH2 ARG A 22 11.683 -7.611 -4.783 1.00 10.00 N ATOM 0 H ARG A 22 7.550 -3.240 -2.968 1.00 10.00 H new ATOM 0 HA ARG A 22 4.759 -4.103 -3.115 1.00 10.00 H new ATOM 0 HB2 ARG A 22 5.142 -5.996 -4.337 1.00 10.00 H new ATOM 0 HB3 ARG A 22 6.158 -4.818 -5.144 1.00 10.00 H new ATOM 0 HG2 ARG A 22 7.255 -6.758 -3.085 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.123 -7.168 -4.784 1.00 10.00 H new ATOM 0 HD2 ARG A 22 8.590 -5.288 -5.377 1.00 10.00 H new ATOM 0 HD3 ARG A 22 8.682 -4.804 -3.696 1.00 10.00 H new ATOM 0 HE ARG A 22 9.850 -6.952 -3.206 1.00 10.00 H new ATOM 0 HH11 ARG A 22 9.316 -6.436 -6.654 1.00 10.00 H new ATOM 0 HH12 ARG A 22 10.850 -7.173 -7.132 1.00 10.00 H new ATOM 0 HH21 ARG A 22 11.916 -7.761 -3.801 1.00 10.00 H new ATOM 0 HH22 ARG A 22 12.324 -7.924 -5.513 1.00 10.00 H new ATOM 263 N SER A 23 5.307 -5.943 -1.383 1.00 10.00 N ATOM 264 CA SER A 23 5.560 -6.779 -0.293 1.00 10.00 C ATOM 265 C SER A 23 4.949 -8.103 -0.609 1.00 10.00 C ATOM 266 O SER A 23 4.172 -8.217 -1.528 1.00 10.00 O ATOM 267 CB SER A 23 4.977 -6.227 1.010 1.00 10.00 C ATOM 268 OG SER A 23 5.455 -4.939 1.288 1.00 10.00 O ATOM 0 H SER A 23 4.405 -6.103 -1.832 1.00 10.00 H new ATOM 0 HA SER A 23 6.636 -6.859 -0.137 1.00 10.00 H new ATOM 0 HB2 SER A 23 3.889 -6.204 0.941 1.00 10.00 H new ATOM 0 HB3 SER A 23 5.230 -6.895 1.833 1.00 10.00 H new ATOM 0 HG SER A 23 4.850 -4.494 1.918 1.00 10.00 H new ATOM 274 N LEU A 24 5.305 -9.075 0.095 1.00 10.00 N ATOM 275 CA LEU A 24 4.670 -10.371 -0.074 1.00 10.00 C ATOM 276 C LEU A 24 3.909 -10.667 1.179 1.00 10.00 C ATOM 277 O LEU A 24 4.391 -11.431 2.000 1.00 10.00 O ATOM 278 CB LEU A 24 5.686 -11.499 -0.409 1.00 10.00 C ATOM 279 CG LEU A 24 6.415 -11.454 -1.779 1.00 10.00 C ATOM 280 CD1 LEU A 24 5.421 -11.449 -2.917 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.373 -10.269 -1.900 1.00 10.00 C ATOM 0 H LEU A 24 6.033 -9.039 0.809 1.00 10.00 H new ATOM 0 HA LEU A 24 3.996 -10.334 -0.930 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.447 -11.503 0.372 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.158 -12.451 -0.345 1.00 10.00 H new ATOM 0 HG LEU A 24 7.020 -12.359 -1.840 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.955 -11.417 -3.867 1.00 10.00 H new ATOM 0 HD12 LEU A 24 4.813 -12.352 -2.873 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.777 -10.574 -2.834 1.00 10.00 H new ATOM 0 HD21 LEU A 24 7.854 -10.289 -2.878 1.00 10.00 H new ATOM 0 HD22 LEU A 24 6.817 -9.338 -1.788 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.132 -10.334 -1.121 1.00 10.00 H new ATOM 293 N ALA A 25 2.724 -9.982 1.319 1.00 10.00 N ATOM 294 CA ALA A 25 1.896 -9.906 2.562 1.00 10.00 C ATOM 295 C ALA A 25 2.150 -11.055 3.480 1.00 10.00 C ATOM 296 O ALA A 25 1.800 -12.194 3.164 1.00 10.00 O ATOM 297 CB ALA A 25 0.416 -9.764 2.236 1.00 10.00 C ATOM 0 H ALA A 25 2.314 -9.456 0.547 1.00 10.00 H new ATOM 0 HA ALA A 25 2.203 -9.006 3.094 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.157 -9.712 3.162 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.256 -8.854 1.658 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.087 -10.625 1.654 1.00 10.00 H new ATOM 303 N ALA A 26 2.777 -10.734 4.629 1.00 10.00 N ATOM 304 CA ALA A 26 3.322 -11.691 5.484 1.00 10.00 C ATOM 305 C ALA A 26 2.276 -12.732 5.879 1.00 10.00 C ATOM 306 O ALA A 26 1.154 -12.390 6.239 1.00 10.00 O ATOM 307 CB ALA A 26 3.891 -11.013 6.701 1.00 10.00 C ATOM 0 H ALA A 26 2.897 -9.774 4.953 1.00 10.00 H new ATOM 0 HA ALA A 26 4.123 -12.214 4.962 1.00 10.00 H new ATOM 0 HB1 ALA A 26 4.317 -11.762 7.369 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.669 -10.313 6.397 1.00 10.00 H new ATOM 0 HB3 ALA A 26 3.099 -10.472 7.220 1.00 10.00 H new ATOM 313 N PRO A 27 2.623 -13.995 5.801 1.00 10.00 N ATOM 314 CA PRO A 27 1.722 -15.136 6.121 1.00 10.00 C ATOM 315 C PRO A 27 1.179 -15.149 7.556 1.00 10.00 C ATOM 316 O PRO A 27 0.339 -15.985 7.921 1.00 10.00 O ATOM 317 CB PRO A 27 2.638 -16.332 5.909 1.00 10.00 C ATOM 318 CG PRO A 27 4.002 -15.751 6.043 1.00 10.00 C ATOM 319 CD PRO A 27 3.927 -14.480 5.334 1.00 10.00 C ATOM 0 HA PRO A 27 0.821 -15.106 5.508 1.00 10.00 H new ATOM 0 HB2 PRO A 27 2.459 -17.111 6.650 1.00 10.00 H new ATOM 0 HB3 PRO A 27 2.488 -16.784 4.928 1.00 10.00 H new ATOM 0 HG2 PRO A 27 4.271 -15.607 7.089 1.00 10.00 H new ATOM 0 HG3 PRO A 27 4.757 -16.405 5.607 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.741 -13.806 5.602 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.960 -14.605 4.252 1.00 10.00 H new ATOM 327 N ASP A 28 1.633 -14.248 8.330 1.00 10.00 N ATOM 328 CA ASP A 28 1.276 -14.169 9.730 1.00 10.00 C ATOM 329 C ASP A 28 0.475 -12.913 10.016 1.00 10.00 C ATOM 330 O ASP A 28 0.292 -12.521 11.170 1.00 10.00 O ATOM 331 CB ASP A 28 2.529 -14.231 10.617 1.00 10.00 C ATOM 332 CG ASP A 28 3.445 -13.029 10.486 1.00 10.00 C ATOM 333 OD1 ASP A 28 3.821 -12.668 9.352 1.00 10.00 O ATOM 334 OD2 ASP A 28 3.863 -12.469 11.524 1.00 10.00 O ATOM 0 H ASP A 28 2.278 -13.519 8.026 1.00 10.00 H new ATOM 0 HA ASP A 28 0.649 -15.029 9.967 1.00 10.00 H new ATOM 0 HB2 ASP A 28 2.219 -14.326 11.658 1.00 10.00 H new ATOM 0 HB3 ASP A 28 3.092 -15.131 10.369 1.00 10.00 H new ATOM 339 N LEU A 29 -0.037 -12.302 8.968 1.00 10.00 N ATOM 340 CA LEU A 29 -0.823 -11.094 9.105 1.00 10.00 C ATOM 341 C LEU A 29 -2.230 -11.354 9.555 1.00 10.00 C ATOM 342 O LEU A 29 -2.813 -12.419 9.310 1.00 10.00 O ATOM 343 CB LEU A 29 -0.883 -10.300 7.819 1.00 10.00 C ATOM 344 CG LEU A 29 0.403 -9.733 7.300 1.00 10.00 C ATOM 345 CD1 LEU A 29 0.110 -8.832 6.130 1.00 10.00 C ATOM 346 CD2 LEU A 29 1.165 -9.014 8.398 1.00 10.00 C ATOM 0 H LEU A 29 0.078 -12.624 8.007 1.00 10.00 H new ATOM 0 HA LEU A 29 -0.305 -10.519 9.873 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.305 -10.942 7.046 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.581 -9.475 7.964 1.00 10.00 H new ATOM 0 HG LEU A 29 1.047 -10.544 6.958 1.00 10.00 H new ATOM 0 HD11 LEU A 29 1.043 -8.416 5.748 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.381 -9.405 5.343 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -0.544 -8.021 6.450 1.00 10.00 H new ATOM 0 HD21 LEU A 29 2.094 -8.613 7.993 1.00 10.00 H new ATOM 0 HD22 LEU A 29 0.557 -8.198 8.789 1.00 10.00 H new ATOM 0 HD23 LEU A 29 1.392 -9.714 9.202 1.00 10.00 H new ATOM 358 N THR A 30 -2.750 -10.383 10.207 1.00 10.00 N ATOM 359 CA THR A 30 -4.078 -10.334 10.659 1.00 10.00 C ATOM 360 C THR A 30 -4.949 -9.555 9.715 1.00 10.00 C ATOM 361 O THR A 30 -4.604 -8.459 9.303 1.00 10.00 O ATOM 362 CB THR A 30 -4.071 -9.636 11.956 1.00 10.00 C ATOM 363 OG1 THR A 30 -2.857 -8.867 12.054 1.00 10.00 O ATOM 364 CG2 THR A 30 -4.185 -10.600 13.077 1.00 10.00 C ATOM 0 H THR A 30 -2.219 -9.548 10.453 1.00 10.00 H new ATOM 0 HA THR A 30 -4.471 -11.348 10.733 1.00 10.00 H new ATOM 0 HB THR A 30 -4.931 -8.969 12.020 1.00 10.00 H new ATOM 0 HG1 THR A 30 -2.951 -8.197 12.763 1.00 10.00 H new ATOM 0 HG21 THR A 30 -4.178 -10.060 14.024 1.00 10.00 H new ATOM 0 HG22 THR A 30 -5.117 -11.157 12.984 1.00 10.00 H new ATOM 0 HG23 THR A 30 -3.344 -11.293 13.048 1.00 10.00 H new ATOM 372 N LEU A 31 -6.076 -10.116 9.398 1.00 10.00 N ATOM 373 CA LEU A 31 -7.076 -9.502 8.547 1.00 10.00 C ATOM 374 C LEU A 31 -7.543 -8.219 9.152 1.00 10.00 C ATOM 375 O LEU A 31 -7.689 -7.237 8.443 1.00 10.00 O ATOM 376 CB LEU A 31 -8.231 -10.428 8.448 1.00 10.00 C ATOM 377 CG LEU A 31 -9.428 -10.016 7.589 1.00 10.00 C ATOM 378 CD1 LEU A 31 -9.055 -9.875 6.125 1.00 10.00 C ATOM 379 CD2 LEU A 31 -10.547 -11.015 7.764 1.00 10.00 C ATOM 0 H LEU A 31 -6.343 -11.043 9.730 1.00 10.00 H new ATOM 0 HA LEU A 31 -6.650 -9.302 7.564 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -7.861 -11.379 8.066 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -8.596 -10.611 9.459 1.00 10.00 H new ATOM 0 HG LEU A 31 -9.764 -9.035 7.925 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -9.935 -9.581 5.552 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -8.282 -9.114 6.018 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -8.680 -10.828 5.752 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -11.398 -10.719 7.151 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -10.204 -12.003 7.456 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -10.847 -11.045 8.811 1.00 10.00 H new ATOM 391 N ARG A 32 -7.740 -8.196 10.476 1.00 10.00 N ATOM 392 CA ARG A 32 -8.222 -6.978 11.092 1.00 10.00 C ATOM 393 C ARG A 32 -7.227 -5.859 10.877 1.00 10.00 C ATOM 394 O ARG A 32 -7.605 -4.718 10.683 1.00 10.00 O ATOM 395 CB ARG A 32 -8.573 -7.116 12.579 1.00 10.00 C ATOM 396 CG ARG A 32 -9.102 -5.804 13.154 1.00 10.00 C ATOM 397 CD ARG A 32 -10.411 -5.410 12.480 1.00 10.00 C ATOM 398 NE ARG A 32 -10.631 -3.967 12.495 1.00 10.00 N ATOM 399 CZ ARG A 32 -11.408 -3.318 11.616 1.00 10.00 C ATOM 400 NH1 ARG A 32 -12.218 -3.997 10.789 1.00 10.00 N ATOM 401 NH2 ARG A 32 -11.409 -1.999 11.588 1.00 10.00 N ATOM 0 H ARG A 32 -7.578 -8.978 11.110 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.163 -6.741 10.596 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.322 -7.898 12.706 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -7.689 -7.428 13.135 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -9.257 -5.908 14.228 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.363 -5.015 13.013 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -10.407 -5.764 11.449 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -11.240 -5.907 12.984 1.00 10.00 H new ATOM 0 HE ARG A 32 -10.165 -3.419 13.218 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -12.246 -5.016 10.826 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -12.805 -3.494 10.124 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -10.819 -1.475 12.234 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -11.999 -1.504 10.920 1.00 10.00 H new ATOM 415 N ASP A 33 -5.967 -6.218 10.844 1.00 10.00 N ATOM 416 CA ASP A 33 -4.922 -5.271 10.567 1.00 10.00 C ATOM 417 C ASP A 33 -5.034 -4.713 9.158 1.00 10.00 C ATOM 418 O ASP A 33 -4.856 -3.530 8.974 1.00 10.00 O ATOM 419 CB ASP A 33 -3.529 -5.841 10.836 1.00 10.00 C ATOM 420 CG ASP A 33 -3.076 -5.675 12.277 1.00 10.00 C ATOM 421 OD1 ASP A 33 -3.359 -6.549 13.117 1.00 10.00 O ATOM 422 OD2 ASP A 33 -2.389 -4.675 12.599 1.00 10.00 O ATOM 0 H ASP A 33 -5.641 -7.171 11.008 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.059 -4.443 11.263 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -3.523 -6.901 10.581 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -2.811 -5.351 10.179 1.00 10.00 H new ATOM 427 N LEU A 34 -5.407 -5.551 8.154 1.00 10.00 N ATOM 428 CA LEU A 34 -5.559 -5.005 6.762 1.00 10.00 C ATOM 429 C LEU A 34 -6.726 -4.072 6.710 1.00 10.00 C ATOM 430 O LEU A 34 -6.679 -3.002 6.099 1.00 10.00 O ATOM 431 CB LEU A 34 -5.771 -6.082 5.663 1.00 10.00 C ATOM 432 CG LEU A 34 -4.590 -6.966 5.263 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.409 -6.132 4.819 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.211 -7.860 6.377 1.00 10.00 C ATOM 0 H LEU A 34 -5.599 -6.547 8.260 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.615 -4.504 6.549 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.577 -6.737 5.994 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.122 -5.573 4.765 1.00 10.00 H new ATOM 0 HG LEU A 34 -4.900 -7.580 4.418 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -2.584 -6.788 4.541 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.695 -5.524 3.960 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.095 -5.482 5.635 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -3.369 -8.482 6.074 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -3.928 -7.262 7.243 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.057 -8.496 6.637 1.00 10.00 H new ATOM 446 N LEU A 35 -7.752 -4.484 7.377 1.00 10.00 N ATOM 447 CA LEU A 35 -9.011 -3.759 7.419 1.00 10.00 C ATOM 448 C LEU A 35 -8.877 -2.484 8.232 1.00 10.00 C ATOM 449 O LEU A 35 -9.646 -1.553 8.076 1.00 10.00 O ATOM 450 CB LEU A 35 -10.132 -4.680 7.947 1.00 10.00 C ATOM 451 CG LEU A 35 -10.685 -5.763 6.969 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.629 -5.131 5.957 1.00 10.00 C ATOM 453 CD2 LEU A 35 -9.558 -6.457 6.210 1.00 10.00 C ATOM 0 H LEU A 35 -7.755 -5.346 7.922 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.283 -3.455 6.408 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.761 -5.187 8.838 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.965 -4.052 8.262 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.217 -6.499 7.572 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.006 -5.899 5.282 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.464 -4.665 6.480 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.094 -4.375 5.383 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -9.979 -7.205 5.538 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.002 -5.720 5.630 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -8.887 -6.942 6.919 1.00 10.00 H new ATOM 465 N ASP A 36 -7.930 -2.470 9.122 1.00 10.00 N ATOM 466 CA ASP A 36 -7.616 -1.245 9.862 1.00 10.00 C ATOM 467 C ASP A 36 -6.708 -0.339 9.022 1.00 10.00 C ATOM 468 O ASP A 36 -6.865 0.891 9.024 1.00 10.00 O ATOM 469 CB ASP A 36 -6.973 -1.522 11.218 1.00 10.00 C ATOM 470 CG ASP A 36 -6.871 -0.261 12.054 1.00 10.00 C ATOM 471 OD1 ASP A 36 -5.882 0.482 11.929 1.00 10.00 O ATOM 472 OD2 ASP A 36 -7.815 0.018 12.852 1.00 10.00 O ATOM 0 H ASP A 36 -7.355 -3.277 9.365 1.00 10.00 H new ATOM 0 HA ASP A 36 -8.562 -0.740 10.057 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -7.559 -2.268 11.754 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.979 -1.943 11.071 1.00 10.00 H new ATOM 477 N ILE A 37 -5.755 -0.961 8.295 1.00 10.00 N ATOM 478 CA ILE A 37 -4.841 -0.245 7.391 1.00 10.00 C ATOM 479 C ILE A 37 -5.615 0.625 6.432 1.00 10.00 C ATOM 480 O ILE A 37 -5.348 1.811 6.347 1.00 10.00 O ATOM 481 CB ILE A 37 -3.916 -1.212 6.570 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.839 -1.827 7.452 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.245 -0.489 5.386 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.223 -3.058 6.845 1.00 10.00 C ATOM 0 H ILE A 37 -5.601 -1.969 8.321 1.00 10.00 H new ATOM 0 HA ILE A 37 -4.204 0.370 8.027 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.559 -2.002 6.182 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -2.059 -1.088 7.634 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.270 -2.081 8.420 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.613 -1.191 4.842 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -4.011 -0.097 4.717 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.635 0.333 5.760 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.462 -3.453 7.518 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -2.995 -3.811 6.687 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.765 -2.802 5.889 1.00 10.00 H new ATOM 496 N VAL A 38 -6.584 0.035 5.734 1.00 10.00 N ATOM 497 CA VAL A 38 -7.397 0.771 4.745 1.00 10.00 C ATOM 498 C VAL A 38 -8.000 2.062 5.343 1.00 10.00 C ATOM 499 O VAL A 38 -7.952 3.127 4.724 1.00 10.00 O ATOM 500 CB VAL A 38 -8.507 -0.124 4.069 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.505 -0.680 5.068 1.00 10.00 C ATOM 502 CG2 VAL A 38 -9.228 0.627 2.953 1.00 10.00 C ATOM 0 H VAL A 38 -6.831 -0.950 5.829 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.710 1.062 3.950 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.983 -0.975 3.633 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -10.244 -1.287 4.545 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.982 -1.296 5.800 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -10.007 0.143 5.578 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.985 -0.019 2.510 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.705 1.517 3.363 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.509 0.920 2.188 1.00 10.00 H new ATOM 512 N GLU A 39 -8.463 1.966 6.573 1.00 10.00 N ATOM 513 CA GLU A 39 -9.056 3.082 7.276 1.00 10.00 C ATOM 514 C GLU A 39 -7.988 4.126 7.619 1.00 10.00 C ATOM 515 O GLU A 39 -8.024 5.266 7.127 1.00 10.00 O ATOM 516 CB GLU A 39 -9.714 2.581 8.566 1.00 10.00 C ATOM 517 CG GLU A 39 -10.792 1.534 8.355 1.00 10.00 C ATOM 518 CD GLU A 39 -11.934 2.040 7.522 1.00 10.00 C ATOM 519 OE1 GLU A 39 -12.770 2.796 8.046 1.00 10.00 O ATOM 520 OE2 GLU A 39 -12.039 1.683 6.339 1.00 10.00 O ATOM 0 H GLU A 39 -8.437 1.103 7.116 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.806 3.544 6.634 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -8.943 2.165 9.215 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -10.149 3.431 9.092 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -10.355 0.660 7.872 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -11.171 1.207 9.324 1.00 10.00 H new ATOM 527 N THR A 40 -7.018 3.700 8.412 1.00 10.00 N ATOM 528 CA THR A 40 -5.962 4.555 8.924 1.00 10.00 C ATOM 529 C THR A 40 -5.130 5.209 7.788 1.00 10.00 C ATOM 530 O THR A 40 -4.771 6.400 7.864 1.00 10.00 O ATOM 531 CB THR A 40 -5.029 3.732 9.866 1.00 10.00 C ATOM 532 OG1 THR A 40 -5.826 3.079 10.880 1.00 10.00 O ATOM 533 CG2 THR A 40 -4.006 4.636 10.553 1.00 10.00 C ATOM 0 H THR A 40 -6.942 2.732 8.723 1.00 10.00 H new ATOM 0 HA THR A 40 -6.435 5.363 9.483 1.00 10.00 H new ATOM 0 HB THR A 40 -4.499 2.995 9.262 1.00 10.00 H new ATOM 0 HG1 THR A 40 -5.534 2.149 10.977 1.00 10.00 H new ATOM 0 HG21 THR A 40 -3.369 4.036 11.203 1.00 10.00 H new ATOM 0 HG22 THR A 40 -3.393 5.130 9.799 1.00 10.00 H new ATOM 0 HG23 THR A 40 -4.526 5.388 11.147 1.00 10.00 H new ATOM 541 N SER A 41 -4.876 4.463 6.732 1.00 10.00 N ATOM 542 CA SER A 41 -4.022 4.936 5.676 1.00 10.00 C ATOM 543 C SER A 41 -4.671 6.025 4.838 1.00 10.00 C ATOM 544 O SER A 41 -4.109 7.091 4.708 1.00 10.00 O ATOM 545 CB SER A 41 -3.522 3.788 4.800 1.00 10.00 C ATOM 546 OG SER A 41 -4.587 3.104 4.191 1.00 10.00 O ATOM 0 H SER A 41 -5.252 3.526 6.588 1.00 10.00 H new ATOM 0 HA SER A 41 -3.158 5.389 6.162 1.00 10.00 H new ATOM 0 HB2 SER A 41 -2.853 4.179 4.033 1.00 10.00 H new ATOM 0 HB3 SER A 41 -2.941 3.093 5.406 1.00 10.00 H new ATOM 0 HG SER A 41 -5.070 2.583 4.866 1.00 10.00 H new ATOM 552 N GLN A 42 -5.867 5.780 4.304 1.00 10.00 N ATOM 553 CA GLN A 42 -6.497 6.740 3.388 1.00 10.00 C ATOM 554 C GLN A 42 -6.836 8.030 4.082 1.00 10.00 C ATOM 555 O GLN A 42 -6.743 9.094 3.499 1.00 10.00 O ATOM 556 CB GLN A 42 -7.734 6.162 2.736 1.00 10.00 C ATOM 557 CG GLN A 42 -8.913 5.978 3.653 1.00 10.00 C ATOM 558 CD GLN A 42 -10.012 5.207 3.013 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.192 5.228 1.782 1.00 10.00 O ATOM 560 NE2 GLN A 42 -10.784 4.572 3.819 1.00 10.00 N ATOM 0 H GLN A 42 -6.415 4.939 4.484 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.765 6.952 2.608 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.031 6.814 1.914 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.478 5.196 2.300 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.590 5.463 4.557 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.288 6.955 3.959 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.596 4.584 4.821 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.586 4.056 3.457 1.00 10.00 H new ATOM 569 N ALA A 43 -7.185 7.930 5.342 1.00 10.00 N ATOM 570 CA ALA A 43 -7.546 9.076 6.122 1.00 10.00 C ATOM 571 C ALA A 43 -6.315 9.943 6.390 1.00 10.00 C ATOM 572 O ALA A 43 -6.412 11.152 6.576 1.00 10.00 O ATOM 573 CB ALA A 43 -8.237 8.623 7.395 1.00 10.00 C ATOM 0 H ALA A 43 -7.225 7.047 5.851 1.00 10.00 H new ATOM 0 HA ALA A 43 -8.251 9.699 5.572 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -8.512 9.494 7.989 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -9.134 8.059 7.141 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -7.561 7.990 7.970 1.00 10.00 H new ATOM 579 N HIS A 44 -5.157 9.321 6.356 1.00 10.00 N ATOM 580 CA HIS A 44 -3.895 10.023 6.512 1.00 10.00 C ATOM 581 C HIS A 44 -3.445 10.493 5.143 1.00 10.00 C ATOM 582 O HIS A 44 -2.941 11.582 5.007 1.00 10.00 O ATOM 583 CB HIS A 44 -2.840 9.087 7.101 1.00 10.00 C ATOM 584 CG HIS A 44 -1.543 9.731 7.517 1.00 10.00 C ATOM 585 ND1 HIS A 44 -1.275 10.090 8.812 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.416 10.033 6.812 1.00 10.00 C ATOM 587 CE1 HIS A 44 -0.060 10.574 8.884 1.00 10.00 C ATOM 588 NE2 HIS A 44 0.475 10.551 7.702 1.00 10.00 N ATOM 0 H HIS A 44 -5.060 8.315 6.220 1.00 10.00 H new ATOM 0 HA HIS A 44 -4.023 10.870 7.186 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -3.270 8.588 7.970 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.619 8.313 6.366 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.260 9.889 5.753 1.00 10.00 H new ATOM 0 HE1 HIS A 44 0.419 10.934 9.782 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.416 10.871 7.475 1.00 10.00 H new ATOM 597 N ASN A 45 -3.640 9.649 4.145 1.00 10.00 N ATOM 598 CA ASN A 45 -3.260 9.945 2.766 1.00 10.00 C ATOM 599 C ASN A 45 -4.015 11.129 2.238 1.00 10.00 C ATOM 600 O ASN A 45 -3.425 12.013 1.670 1.00 10.00 O ATOM 601 CB ASN A 45 -3.447 8.733 1.822 1.00 10.00 C ATOM 602 CG ASN A 45 -2.488 7.588 2.104 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.384 7.790 2.592 1.00 10.00 O ATOM 604 ND2 ASN A 45 -2.893 6.373 1.795 1.00 10.00 N ATOM 0 H ASN A 45 -4.069 8.731 4.265 1.00 10.00 H new ATOM 0 HA ASN A 45 -2.196 10.181 2.787 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.471 8.369 1.911 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -3.314 9.062 0.791 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -2.281 5.574 1.962 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -3.818 6.232 1.389 1.00 10.00 H new ATOM 611 N ALA A 46 -5.319 11.160 2.471 1.00 10.00 N ATOM 612 CA ALA A 46 -6.165 12.268 2.039 1.00 10.00 C ATOM 613 C ALA A 46 -5.693 13.562 2.666 1.00 10.00 C ATOM 614 O ALA A 46 -5.633 14.605 2.011 1.00 10.00 O ATOM 615 CB ALA A 46 -7.605 12.015 2.432 1.00 10.00 C ATOM 0 H ALA A 46 -5.821 10.421 2.963 1.00 10.00 H new ATOM 0 HA ALA A 46 -6.098 12.348 0.954 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -8.224 12.850 2.103 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.955 11.096 1.961 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.675 11.916 3.515 1.00 10.00 H new ATOM 621 N ARG A 47 -5.337 13.471 3.936 1.00 10.00 N ATOM 622 CA ARG A 47 -4.858 14.602 4.689 1.00 10.00 C ATOM 623 C ARG A 47 -3.508 15.030 4.175 1.00 10.00 C ATOM 624 O ARG A 47 -3.267 16.212 3.930 1.00 10.00 O ATOM 625 CB ARG A 47 -4.734 14.236 6.157 1.00 10.00 C ATOM 626 CG ARG A 47 -4.314 15.384 7.063 1.00 10.00 C ATOM 627 CD ARG A 47 -4.226 14.942 8.516 1.00 10.00 C ATOM 628 NE ARG A 47 -3.686 15.999 9.386 1.00 10.00 N ATOM 629 CZ ARG A 47 -3.362 15.845 10.684 1.00 10.00 C ATOM 630 NH1 ARG A 47 -3.581 14.684 11.303 1.00 10.00 N ATOM 631 NH2 ARG A 47 -2.823 16.849 11.352 1.00 10.00 N ATOM 0 H ARG A 47 -5.375 12.603 4.470 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.569 15.420 4.575 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -5.692 13.849 6.504 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -4.009 13.428 6.256 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -3.347 15.770 6.739 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -5.030 16.201 6.973 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -5.217 14.655 8.868 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -3.594 14.057 8.587 1.00 10.00 H new ATOM 0 HE ARG A 47 -3.546 16.921 8.973 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -3.997 13.905 10.793 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -3.333 14.576 12.286 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -2.653 17.739 10.885 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -2.577 16.734 12.335 1.00 10.00 H new ATOM 645 N ALA A 48 -2.626 14.072 4.000 1.00 10.00 N ATOM 646 CA ALA A 48 -1.297 14.387 3.585 1.00 10.00 C ATOM 647 C ALA A 48 -1.180 14.627 2.073 1.00 10.00 C ATOM 648 O ALA A 48 -0.094 14.925 1.591 1.00 10.00 O ATOM 649 CB ALA A 48 -0.282 13.381 4.085 1.00 10.00 C ATOM 0 H ALA A 48 -2.812 13.079 4.140 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.056 15.338 4.060 1.00 10.00 H new ATOM 0 HB1 ALA A 48 0.712 13.666 3.742 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -0.298 13.359 5.175 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.529 12.392 3.699 1.00 10.00 H new ATOM 655 N GLN A 49 -2.328 14.522 1.347 1.00 10.00 N ATOM 656 CA GLN A 49 -2.455 14.834 -0.113 1.00 10.00 C ATOM 657 C GLN A 49 -1.828 13.738 -0.983 1.00 10.00 C ATOM 658 O GLN A 49 -1.349 13.980 -2.095 1.00 10.00 O ATOM 659 CB GLN A 49 -1.827 16.187 -0.389 1.00 10.00 C ATOM 660 CG GLN A 49 -2.366 17.245 0.494 1.00 10.00 C ATOM 661 CD GLN A 49 -1.299 18.244 0.874 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.083 19.249 0.202 1.00 10.00 O ATOM 663 NE2 GLN A 49 -0.607 17.953 1.956 1.00 10.00 N ATOM 0 H GLN A 49 -3.207 14.214 1.763 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.512 14.870 -0.375 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.748 16.119 -0.254 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.001 16.461 -1.429 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.185 17.759 -0.010 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.780 16.793 1.395 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -0.820 17.107 2.485 1.00 10.00 H new ATOM 0 HE22 GLN A 49 0.142 18.573 2.265 1.00 10.00 H new ATOM 672 N LEU A 50 -1.876 12.551 -0.476 1.00 10.00 N ATOM 673 CA LEU A 50 -1.362 11.355 -1.133 1.00 10.00 C ATOM 674 C LEU A 50 -2.412 10.629 -1.980 1.00 10.00 C ATOM 675 O LEU A 50 -3.572 10.473 -1.572 1.00 10.00 O ATOM 676 CB LEU A 50 -0.775 10.398 -0.097 1.00 10.00 C ATOM 677 CG LEU A 50 0.667 10.665 0.331 1.00 10.00 C ATOM 678 CD1 LEU A 50 0.881 12.071 0.816 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.122 9.685 1.375 1.00 10.00 C ATOM 0 H LEU A 50 -2.285 12.361 0.439 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.583 11.689 -1.819 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -1.406 10.426 0.791 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.831 9.385 -0.496 1.00 10.00 H new ATOM 0 HG LEU A 50 1.273 10.533 -0.565 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.924 12.201 1.106 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.636 12.772 0.018 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.239 12.261 1.676 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.152 9.905 1.656 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.481 9.765 2.253 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.063 8.673 0.974 1.00 10.00 H new ATOM 691 N THR A 51 -1.999 10.234 -3.168 1.00 10.00 N ATOM 692 CA THR A 51 -2.782 9.475 -4.094 1.00 10.00 C ATOM 693 C THR A 51 -2.182 8.083 -4.245 1.00 10.00 C ATOM 694 O THR A 51 -0.971 7.920 -4.146 1.00 10.00 O ATOM 695 CB THR A 51 -2.884 10.245 -5.405 1.00 10.00 C ATOM 696 OG1 THR A 51 -1.570 10.589 -5.893 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.620 11.513 -5.088 1.00 10.00 C ATOM 0 H THR A 51 -1.066 10.448 -3.520 1.00 10.00 H new ATOM 0 HA THR A 51 -3.800 9.333 -3.731 1.00 10.00 H new ATOM 0 HB THR A 51 -3.388 9.646 -6.164 1.00 10.00 H new ATOM 0 HG1 THR A 51 -1.375 10.069 -6.701 1.00 10.00 H new ATOM 0 HG21 THR A 51 -3.724 12.110 -5.994 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.608 11.272 -4.697 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.063 12.080 -4.342 1.00 10.00 H new ATOM 705 N GLY A 52 -3.014 7.085 -4.386 1.00 10.00 N ATOM 706 CA GLY A 52 -2.526 5.746 -4.260 1.00 10.00 C ATOM 707 C GLY A 52 -3.476 4.686 -4.706 1.00 10.00 C ATOM 708 O GLY A 52 -4.593 4.962 -5.162 1.00 10.00 O ATOM 0 H GLY A 52 -4.011 7.174 -4.584 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.606 5.655 -4.837 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.267 5.566 -3.217 1.00 10.00 H new ATOM 712 N ALA A 53 -3.008 3.488 -4.612 1.00 10.00 N ATOM 713 CA ALA A 53 -3.784 2.283 -4.799 1.00 10.00 C ATOM 714 C ALA A 53 -3.006 1.099 -4.249 1.00 10.00 C ATOM 715 O ALA A 53 -1.791 1.008 -4.415 1.00 10.00 O ATOM 716 CB ALA A 53 -4.242 2.063 -6.240 1.00 10.00 C ATOM 0 H ALA A 53 -2.030 3.300 -4.393 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.713 2.394 -4.239 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.818 1.140 -6.302 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.864 2.901 -6.556 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.371 1.991 -6.892 1.00 10.00 H new ATOM 722 N LEU A 54 -3.691 0.288 -3.509 1.00 10.00 N ATOM 723 CA LEU A 54 -3.141 -0.889 -2.888 1.00 10.00 C ATOM 724 C LEU A 54 -3.802 -2.099 -3.518 1.00 10.00 C ATOM 725 O LEU A 54 -5.044 -2.194 -3.573 1.00 10.00 O ATOM 726 CB LEU A 54 -3.439 -0.824 -1.347 1.00 10.00 C ATOM 727 CG LEU A 54 -2.968 -1.973 -0.375 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.574 -3.345 -0.673 1.00 10.00 C ATOM 729 CD2 LEU A 54 -1.473 -2.053 -0.309 1.00 10.00 C ATOM 0 H LEU A 54 -4.682 0.425 -3.309 1.00 10.00 H new ATOM 0 HA LEU A 54 -2.062 -0.954 -3.032 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -3.003 0.104 -0.977 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -4.520 -0.735 -1.235 1.00 10.00 H new ATOM 0 HG LEU A 54 -3.354 -1.690 0.604 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -3.195 -4.074 0.044 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -4.660 -3.288 -0.593 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -3.300 -3.652 -1.682 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -1.181 -2.855 0.369 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -1.075 -2.256 -1.303 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -1.074 -1.106 0.055 1.00 10.00 H new ATOM 741 N PHE A 55 -2.997 -2.997 -3.966 1.00 10.00 N ATOM 742 CA PHE A 55 -3.437 -4.235 -4.516 1.00 10.00 C ATOM 743 C PHE A 55 -2.957 -5.334 -3.615 1.00 10.00 C ATOM 744 O PHE A 55 -1.828 -5.295 -3.131 1.00 10.00 O ATOM 745 CB PHE A 55 -2.871 -4.447 -5.912 1.00 10.00 C ATOM 746 CG PHE A 55 -3.239 -3.380 -6.887 1.00 10.00 C ATOM 747 CD1 PHE A 55 -4.478 -3.377 -7.496 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.338 -2.389 -7.207 1.00 10.00 C ATOM 749 CE1 PHE A 55 -4.808 -2.402 -8.408 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.660 -1.413 -8.119 1.00 10.00 C ATOM 751 CZ PHE A 55 -3.897 -1.421 -8.723 1.00 10.00 C ATOM 0 H PHE A 55 -1.983 -2.889 -3.961 1.00 10.00 H new ATOM 0 HA PHE A 55 -4.524 -4.232 -4.591 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.785 -4.506 -5.847 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -3.220 -5.407 -6.292 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -5.195 -4.148 -7.254 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.366 -2.379 -6.735 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -5.781 -2.407 -8.876 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -1.944 -0.641 -8.361 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.152 -0.658 -9.443 1.00 10.00 H new ATOM 761 N TYR A 56 -3.793 -6.271 -3.359 1.00 10.00 N ATOM 762 CA TYR A 56 -3.457 -7.391 -2.534 1.00 10.00 C ATOM 763 C TYR A 56 -4.261 -8.554 -3.069 1.00 10.00 C ATOM 764 O TYR A 56 -5.492 -8.544 -2.982 1.00 10.00 O ATOM 765 CB TYR A 56 -3.834 -7.101 -1.044 1.00 10.00 C ATOM 766 CG TYR A 56 -3.517 -8.206 0.002 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.324 -9.547 -0.348 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.460 -7.887 1.350 1.00 10.00 C ATOM 769 CE1 TYR A 56 -3.088 -10.517 0.602 1.00 10.00 C ATOM 770 CE2 TYR A 56 -3.216 -8.856 2.308 1.00 10.00 C ATOM 771 CZ TYR A 56 -3.033 -10.167 1.927 1.00 10.00 C ATOM 772 OH TYR A 56 -2.809 -11.132 2.884 1.00 10.00 O ATOM 0 H TYR A 56 -4.747 -6.290 -3.718 1.00 10.00 H new ATOM 0 HA TYR A 56 -2.388 -7.602 -2.558 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.320 -6.190 -0.738 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.903 -6.894 -1.001 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -3.361 -9.829 -1.390 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -3.609 -6.863 1.659 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -2.947 -11.546 0.305 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -3.169 -8.585 3.352 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.798 -10.716 3.771 1.00 10.00 H new ATOM 782 N SER A 57 -3.588 -9.494 -3.656 1.00 10.00 N ATOM 783 CA SER A 57 -4.189 -10.680 -4.166 1.00 10.00 C ATOM 784 C SER A 57 -3.079 -11.639 -4.451 1.00 10.00 C ATOM 785 O SER A 57 -1.935 -11.196 -4.627 1.00 10.00 O ATOM 786 CB SER A 57 -5.002 -10.374 -5.440 1.00 10.00 C ATOM 787 OG SER A 57 -4.225 -9.681 -6.422 1.00 10.00 O ATOM 0 H SER A 57 -2.578 -9.453 -3.796 1.00 10.00 H new ATOM 0 HA SER A 57 -4.887 -11.106 -3.445 1.00 10.00 H new ATOM 0 HB2 SER A 57 -5.374 -11.306 -5.865 1.00 10.00 H new ATOM 0 HB3 SER A 57 -5.873 -9.773 -5.178 1.00 10.00 H new ATOM 0 HG SER A 57 -4.777 -9.508 -7.213 1.00 10.00 H new ATOM 793 N GLN A 58 -3.361 -12.942 -4.396 1.00 10.00 N ATOM 794 CA GLN A 58 -2.373 -13.977 -4.738 1.00 10.00 C ATOM 795 C GLN A 58 -1.207 -13.991 -3.735 1.00 10.00 C ATOM 796 O GLN A 58 -0.156 -14.571 -3.990 1.00 10.00 O ATOM 797 CB GLN A 58 -1.849 -13.744 -6.166 1.00 10.00 C ATOM 798 CG GLN A 58 -2.912 -13.864 -7.246 1.00 10.00 C ATOM 799 CD GLN A 58 -2.421 -13.394 -8.595 1.00 10.00 C ATOM 800 OE1 GLN A 58 -1.571 -12.493 -8.693 1.00 10.00 O ATOM 801 NE2 GLN A 58 -2.937 -13.973 -9.640 1.00 10.00 N ATOM 0 H GLN A 58 -4.270 -13.311 -4.117 1.00 10.00 H new ATOM 0 HA GLN A 58 -2.864 -14.949 -4.688 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -1.403 -12.751 -6.220 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -1.055 -14.462 -6.372 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -3.233 -14.903 -7.321 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -3.786 -13.280 -6.957 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -3.633 -14.710 -9.523 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -2.646 -13.690 -10.576 1.00 10.00 H new ATOM 810 N GLY A 59 -1.413 -13.372 -2.591 1.00 10.00 N ATOM 811 CA GLY A 59 -0.388 -13.296 -1.575 1.00 10.00 C ATOM 812 C GLY A 59 0.558 -12.127 -1.775 1.00 10.00 C ATOM 813 O GLY A 59 1.332 -11.790 -0.884 1.00 10.00 O ATOM 0 H GLY A 59 -2.288 -12.912 -2.342 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -0.860 -13.211 -0.596 1.00 10.00 H new ATOM 0 HA3 GLY A 59 0.184 -14.224 -1.574 1.00 10.00 H new ATOM 817 N VAL A 60 0.485 -11.480 -2.923 1.00 10.00 N ATOM 818 CA VAL A 60 1.382 -10.388 -3.188 1.00 10.00 C ATOM 819 C VAL A 60 0.747 -9.079 -2.764 1.00 10.00 C ATOM 820 O VAL A 60 -0.449 -8.839 -2.987 1.00 10.00 O ATOM 821 CB VAL A 60 1.888 -10.319 -4.670 1.00 10.00 C ATOM 822 CG1 VAL A 60 2.512 -11.638 -5.093 1.00 10.00 C ATOM 823 CG2 VAL A 60 0.799 -9.897 -5.654 1.00 10.00 C ATOM 0 H VAL A 60 -0.176 -11.691 -3.671 1.00 10.00 H new ATOM 0 HA VAL A 60 2.275 -10.572 -2.591 1.00 10.00 H new ATOM 0 HB VAL A 60 2.652 -9.542 -4.698 1.00 10.00 H new ATOM 0 HG11 VAL A 60 2.855 -11.564 -6.125 1.00 10.00 H new ATOM 0 HG12 VAL A 60 3.358 -11.865 -4.445 1.00 10.00 H new ATOM 0 HG13 VAL A 60 1.771 -12.433 -5.013 1.00 10.00 H new ATOM 0 HG21 VAL A 60 1.211 -9.868 -6.663 1.00 10.00 H new ATOM 0 HG22 VAL A 60 -0.022 -10.614 -5.618 1.00 10.00 H new ATOM 0 HG23 VAL A 60 0.429 -8.908 -5.385 1.00 10.00 H new ATOM 833 N PHE A 61 1.512 -8.282 -2.090 1.00 10.00 N ATOM 834 CA PHE A 61 1.062 -7.007 -1.621 1.00 10.00 C ATOM 835 C PHE A 61 1.679 -5.925 -2.504 1.00 10.00 C ATOM 836 O PHE A 61 2.903 -5.883 -2.642 1.00 10.00 O ATOM 837 CB PHE A 61 1.652 -6.841 -0.255 1.00 10.00 C ATOM 838 CG PHE A 61 0.807 -6.259 0.798 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.318 -5.514 0.527 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.153 -6.486 2.096 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.064 -5.012 1.565 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.419 -5.994 3.111 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.678 -5.263 2.849 1.00 10.00 C ATOM 0 H PHE A 61 2.478 -8.499 -1.846 1.00 10.00 H new ATOM 0 HA PHE A 61 -0.026 -6.937 -1.627 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.983 -7.822 0.087 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.542 -6.219 -0.350 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.612 -5.325 -0.495 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.033 -7.072 2.315 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -1.948 -4.424 1.367 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.711 -6.186 4.133 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.262 -4.869 3.667 1.00 10.00 H new ATOM 853 N PHE A 62 0.896 -5.071 -3.087 1.00 10.00 N ATOM 854 CA PHE A 62 1.481 -3.995 -3.842 1.00 10.00 C ATOM 855 C PHE A 62 0.845 -2.675 -3.492 1.00 10.00 C ATOM 856 O PHE A 62 -0.372 -2.540 -3.543 1.00 10.00 O ATOM 857 CB PHE A 62 1.422 -4.214 -5.362 1.00 10.00 C ATOM 858 CG PHE A 62 2.152 -3.135 -6.141 1.00 10.00 C ATOM 859 CD1 PHE A 62 1.509 -1.957 -6.537 1.00 10.00 C ATOM 860 CD2 PHE A 62 3.486 -3.291 -6.451 1.00 10.00 C ATOM 861 CE1 PHE A 62 2.193 -0.975 -7.218 1.00 10.00 C ATOM 862 CE2 PHE A 62 4.165 -2.315 -7.135 1.00 10.00 C ATOM 863 CZ PHE A 62 3.519 -1.163 -7.516 1.00 10.00 C ATOM 0 H PHE A 62 -0.123 -5.090 -3.060 1.00 10.00 H new ATOM 0 HA PHE A 62 2.534 -3.978 -3.560 1.00 10.00 H new ATOM 0 HB2 PHE A 62 1.856 -5.185 -5.602 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.380 -4.243 -5.680 1.00 10.00 H new ATOM 0 HD1 PHE A 62 0.463 -1.816 -6.306 1.00 10.00 H new ATOM 0 HD2 PHE A 62 4.002 -4.191 -6.152 1.00 10.00 H new ATOM 0 HE1 PHE A 62 1.691 -0.066 -7.515 1.00 10.00 H new ATOM 0 HE2 PHE A 62 5.209 -2.452 -7.375 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.060 -0.399 -8.055 1.00 10.00 H new ATOM 873 N GLN A 63 1.650 -1.714 -3.126 1.00 10.00 N ATOM 874 CA GLN A 63 1.152 -0.392 -2.906 1.00 10.00 C ATOM 875 C GLN A 63 2.124 0.591 -3.460 1.00 10.00 C ATOM 876 O GLN A 63 3.329 0.359 -3.449 1.00 10.00 O ATOM 877 CB GLN A 63 0.989 -0.049 -1.437 1.00 10.00 C ATOM 878 CG GLN A 63 0.173 1.231 -1.244 1.00 10.00 C ATOM 879 CD GLN A 63 0.380 1.915 0.071 1.00 10.00 C ATOM 880 OE1 GLN A 63 0.678 1.303 1.068 1.00 10.00 O ATOM 881 NE2 GLN A 63 0.234 3.210 0.065 1.00 10.00 N ATOM 0 H GLN A 63 2.653 -1.826 -2.975 1.00 10.00 H new ATOM 0 HA GLN A 63 0.176 -0.350 -3.389 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.498 -0.875 -0.922 1.00 10.00 H new ATOM 0 HB3 GLN A 63 1.971 0.073 -0.980 1.00 10.00 H new ATOM 0 HG2 GLN A 63 0.423 1.928 -2.044 1.00 10.00 H new ATOM 0 HG3 GLN A 63 -0.885 0.990 -1.350 1.00 10.00 H new ATOM 0 HE21 GLN A 63 -0.019 3.691 -0.798 1.00 10.00 H new ATOM 0 HE22 GLN A 63 0.372 3.743 0.924 1.00 10.00 H new ATOM 890 N TRP A 64 1.633 1.660 -3.933 1.00 10.00 N ATOM 891 CA TRP A 64 2.461 2.736 -4.244 1.00 10.00 C ATOM 892 C TRP A 64 1.706 3.971 -3.822 1.00 10.00 C ATOM 893 O TRP A 64 0.460 3.930 -3.692 1.00 10.00 O ATOM 894 CB TRP A 64 2.861 2.740 -5.723 1.00 10.00 C ATOM 895 CG TRP A 64 1.979 3.439 -6.645 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.229 4.636 -7.200 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.729 3.018 -7.131 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.226 4.984 -8.007 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.276 4.019 -7.983 1.00 10.00 C ATOM 900 CE3 TRP A 64 -0.052 1.899 -6.930 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.927 3.939 -8.639 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.247 1.817 -7.577 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.680 2.831 -8.425 1.00 10.00 C ATOM 0 H TRP A 64 0.641 1.812 -4.115 1.00 10.00 H new ATOM 0 HA TRP A 64 3.413 2.680 -3.716 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.854 3.182 -5.804 1.00 10.00 H new ATOM 0 HB3 TRP A 64 2.945 1.705 -6.054 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.113 5.230 -7.019 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.181 5.842 -8.556 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.277 1.106 -6.274 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -1.261 4.726 -9.299 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.871 0.948 -7.429 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.634 2.734 -8.922 1.00 10.00 H new ATOM 914 N LEU A 65 2.405 5.011 -3.552 1.00 10.00 N ATOM 915 CA LEU A 65 1.792 6.219 -3.099 1.00 10.00 C ATOM 916 C LEU A 65 2.470 7.402 -3.712 1.00 10.00 C ATOM 917 O LEU A 65 3.696 7.412 -3.875 1.00 10.00 O ATOM 918 CB LEU A 65 1.785 6.325 -1.568 1.00 10.00 C ATOM 919 CG LEU A 65 3.140 6.245 -0.867 1.00 10.00 C ATOM 920 CD1 LEU A 65 3.038 6.862 0.497 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.630 4.803 -0.724 1.00 10.00 C ATOM 0 H LEU A 65 3.420 5.056 -3.637 1.00 10.00 H new ATOM 0 HA LEU A 65 0.750 6.202 -3.420 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.316 7.270 -1.295 1.00 10.00 H new ATOM 0 HB3 LEU A 65 1.151 5.530 -1.175 1.00 10.00 H new ATOM 0 HG LEU A 65 3.858 6.787 -1.482 1.00 10.00 H new ATOM 0 HD11 LEU A 65 4.005 6.804 0.996 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.740 7.906 0.403 1.00 10.00 H new ATOM 0 HD13 LEU A 65 2.294 6.324 1.085 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.597 4.795 -0.220 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.911 4.231 -0.138 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.732 4.354 -1.712 1.00 10.00 H new ATOM 933 N GLU A 66 1.682 8.353 -4.099 1.00 10.00 N ATOM 934 CA GLU A 66 2.154 9.550 -4.707 1.00 10.00 C ATOM 935 C GLU A 66 1.796 10.681 -3.756 1.00 10.00 C ATOM 936 O GLU A 66 0.635 10.870 -3.425 1.00 10.00 O ATOM 937 CB GLU A 66 1.397 9.703 -6.025 1.00 10.00 C ATOM 938 CG GLU A 66 1.319 8.392 -6.801 1.00 10.00 C ATOM 939 CD GLU A 66 0.528 8.461 -8.074 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.496 9.209 -8.132 1.00 10.00 O ATOM 941 OE2 GLU A 66 0.933 7.765 -9.043 1.00 10.00 O ATOM 0 H GLU A 66 0.668 8.315 -3.997 1.00 10.00 H new ATOM 0 HA GLU A 66 3.227 9.547 -4.899 1.00 10.00 H new ATOM 0 HB2 GLU A 66 0.389 10.064 -5.823 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.889 10.458 -6.639 1.00 10.00 H new ATOM 0 HG2 GLU A 66 2.332 8.064 -7.036 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.879 7.630 -6.157 1.00 10.00 H new ATOM 948 N GLY A 67 2.763 11.421 -3.334 1.00 10.00 N ATOM 949 CA GLY A 67 2.537 12.429 -2.336 1.00 10.00 C ATOM 950 C GLY A 67 3.721 13.335 -2.232 1.00 10.00 C ATOM 951 O GLY A 67 4.690 13.130 -2.942 1.00 10.00 O ATOM 0 H GLY A 67 3.726 11.352 -3.662 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.649 13.008 -2.590 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.346 11.958 -1.372 1.00 10.00 H new ATOM 955 N HIS A 68 3.649 14.347 -1.392 1.00 10.00 N ATOM 956 CA HIS A 68 4.806 15.214 -1.157 1.00 10.00 C ATOM 957 C HIS A 68 5.880 14.387 -0.419 1.00 10.00 C ATOM 958 O HIS A 68 5.563 13.768 0.568 1.00 10.00 O ATOM 959 CB HIS A 68 4.383 16.433 -0.308 1.00 10.00 C ATOM 960 CG HIS A 68 5.492 17.272 0.171 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.087 17.125 1.411 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.119 18.233 -0.437 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.071 17.981 1.516 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.115 18.683 0.394 1.00 10.00 N ATOM 0 H HIS A 68 2.814 14.595 -0.861 1.00 10.00 H new ATOM 0 HA HIS A 68 5.207 15.583 -2.101 1.00 10.00 H new ATOM 0 HB2 HIS A 68 3.708 17.052 -0.899 1.00 10.00 H new ATOM 0 HB3 HIS A 68 3.817 16.078 0.554 1.00 10.00 H new ATOM 0 HD2 HIS A 68 5.896 18.612 -1.423 1.00 10.00 H new ATOM 0 HE1 HIS A 68 7.729 18.095 2.365 1.00 10.00 H new ATOM 0 HE2 HIS A 68 7.776 19.431 0.183 1.00 10.00 H new ATOM 973 N PRO A 69 7.166 14.405 -0.907 1.00 10.00 N ATOM 974 CA PRO A 69 8.292 13.551 -0.449 1.00 10.00 C ATOM 975 C PRO A 69 8.278 13.132 1.010 1.00 10.00 C ATOM 976 O PRO A 69 8.331 11.946 1.318 1.00 10.00 O ATOM 977 CB PRO A 69 9.535 14.397 -0.751 1.00 10.00 C ATOM 978 CG PRO A 69 9.051 15.586 -1.523 1.00 10.00 C ATOM 979 CD PRO A 69 7.650 15.282 -1.957 1.00 10.00 C ATOM 0 HA PRO A 69 8.243 12.591 -0.963 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.030 14.705 0.170 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.263 13.827 -1.329 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.078 16.484 -0.906 1.00 10.00 H new ATOM 0 HG3 PRO A 69 9.691 15.773 -2.386 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.047 16.187 -2.037 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.626 14.796 -2.932 1.00 10.00 H new ATOM 987 N ALA A 70 8.175 14.077 1.896 1.00 10.00 N ATOM 988 CA ALA A 70 8.243 13.774 3.310 1.00 10.00 C ATOM 989 C ALA A 70 7.032 13.081 3.843 1.00 10.00 C ATOM 990 O ALA A 70 7.098 12.436 4.871 1.00 10.00 O ATOM 991 CB ALA A 70 8.560 14.972 4.104 1.00 10.00 C ATOM 0 H ALA A 70 8.044 15.064 1.674 1.00 10.00 H new ATOM 0 HA ALA A 70 9.061 13.061 3.412 1.00 10.00 H new ATOM 0 HB1 ALA A 70 8.603 14.707 5.161 1.00 10.00 H new ATOM 0 HB2 ALA A 70 9.524 15.372 3.790 1.00 10.00 H new ATOM 0 HB3 ALA A 70 7.788 15.726 3.950 1.00 10.00 H new ATOM 997 N ALA A 71 5.952 13.216 3.187 1.00 10.00 N ATOM 998 CA ALA A 71 4.768 12.511 3.570 1.00 10.00 C ATOM 999 C ALA A 71 4.956 11.066 3.229 1.00 10.00 C ATOM 1000 O ALA A 71 4.681 10.176 4.019 1.00 10.00 O ATOM 1001 CB ALA A 71 3.613 13.037 2.809 1.00 10.00 C ATOM 0 H ALA A 71 5.847 13.814 2.367 1.00 10.00 H new ATOM 0 HA ALA A 71 4.585 12.635 4.637 1.00 10.00 H new ATOM 0 HB1 ALA A 71 2.710 12.500 3.100 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.489 14.098 3.023 1.00 10.00 H new ATOM 0 HB3 ALA A 71 3.788 12.900 1.742 1.00 10.00 H new ATOM 1007 N VAL A 72 5.491 10.870 2.047 1.00 10.00 N ATOM 1008 CA VAL A 72 5.759 9.565 1.501 1.00 10.00 C ATOM 1009 C VAL A 72 6.779 8.884 2.383 1.00 10.00 C ATOM 1010 O VAL A 72 6.642 7.731 2.706 1.00 10.00 O ATOM 1011 CB VAL A 72 6.364 9.661 0.075 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.053 8.456 -0.715 1.00 10.00 C ATOM 1013 CG2 VAL A 72 5.929 10.896 -0.662 1.00 10.00 C ATOM 0 H VAL A 72 5.758 11.633 1.425 1.00 10.00 H new ATOM 0 HA VAL A 72 4.821 9.013 1.454 1.00 10.00 H new ATOM 0 HB VAL A 72 7.444 9.731 0.206 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.489 8.550 -1.710 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.468 7.579 -0.219 1.00 10.00 H new ATOM 0 HG13 VAL A 72 4.972 8.347 -0.802 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.384 10.908 -1.652 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.844 10.897 -0.761 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.244 11.780 -0.108 1.00 10.00 H new ATOM 1023 N ALA A 73 7.785 9.631 2.784 1.00 10.00 N ATOM 1024 CA ALA A 73 8.836 9.118 3.619 1.00 10.00 C ATOM 1025 C ALA A 73 8.386 8.881 5.044 1.00 10.00 C ATOM 1026 O ALA A 73 8.849 7.972 5.674 1.00 10.00 O ATOM 1027 CB ALA A 73 10.016 10.005 3.601 1.00 10.00 C ATOM 0 H ALA A 73 7.892 10.615 2.536 1.00 10.00 H new ATOM 0 HA ALA A 73 9.113 8.151 3.198 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.793 9.589 4.242 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.393 10.089 2.582 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.734 10.993 3.966 1.00 10.00 H new ATOM 1033 N GLU A 74 7.516 9.723 5.546 1.00 10.00 N ATOM 1034 CA GLU A 74 6.883 9.539 6.864 1.00 10.00 C ATOM 1035 C GLU A 74 6.178 8.202 6.847 1.00 10.00 C ATOM 1036 O GLU A 74 6.259 7.406 7.806 1.00 10.00 O ATOM 1037 CB GLU A 74 5.881 10.662 7.076 1.00 10.00 C ATOM 1038 CG GLU A 74 5.117 10.653 8.374 1.00 10.00 C ATOM 1039 CD GLU A 74 4.074 11.734 8.364 1.00 10.00 C ATOM 1040 OE1 GLU A 74 4.414 12.909 8.587 1.00 10.00 O ATOM 1041 OE2 GLU A 74 2.900 11.442 8.063 1.00 10.00 O ATOM 0 H GLU A 74 7.213 10.568 5.061 1.00 10.00 H new ATOM 0 HA GLU A 74 7.616 9.561 7.671 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.413 11.611 7.001 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.161 10.634 6.258 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.644 9.682 8.521 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.801 10.804 9.209 1.00 10.00 H new ATOM 1048 N VAL A 75 5.508 7.966 5.756 1.00 10.00 N ATOM 1049 CA VAL A 75 4.895 6.722 5.476 1.00 10.00 C ATOM 1050 C VAL A 75 5.977 5.617 5.372 1.00 10.00 C ATOM 1051 O VAL A 75 5.872 4.598 6.045 1.00 10.00 O ATOM 1052 CB VAL A 75 4.034 6.841 4.190 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.629 5.505 3.657 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.792 7.676 4.466 1.00 10.00 C ATOM 0 H VAL A 75 5.376 8.662 5.022 1.00 10.00 H new ATOM 0 HA VAL A 75 4.224 6.439 6.287 1.00 10.00 H new ATOM 0 HB VAL A 75 4.650 7.329 3.435 1.00 10.00 H new ATOM 0 HG11 VAL A 75 3.028 5.639 2.757 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.519 4.924 3.416 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.043 4.976 4.409 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.196 7.753 3.557 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.201 7.201 5.249 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.089 8.673 4.790 1.00 10.00 H new ATOM 1064 N MET A 76 7.029 5.852 4.564 1.00 10.00 N ATOM 1065 CA MET A 76 8.148 4.916 4.415 1.00 10.00 C ATOM 1066 C MET A 76 8.774 4.538 5.731 1.00 10.00 C ATOM 1067 O MET A 76 8.908 3.384 5.993 1.00 10.00 O ATOM 1068 CB MET A 76 9.234 5.445 3.469 1.00 10.00 C ATOM 1069 CG MET A 76 8.807 5.698 2.035 1.00 10.00 C ATOM 1070 SD MET A 76 8.587 4.260 0.972 1.00 10.00 S ATOM 1071 CE MET A 76 7.156 3.498 1.685 1.00 10.00 C ATOM 0 H MET A 76 7.122 6.696 3.999 1.00 10.00 H new ATOM 0 HA MET A 76 7.707 4.021 3.976 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.623 6.377 3.880 1.00 10.00 H new ATOM 0 HB3 MET A 76 10.058 4.732 3.460 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.867 6.249 2.055 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.549 6.349 1.572 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.581 3.002 0.904 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.467 2.764 2.428 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.539 4.259 2.163 1.00 10.00 H new ATOM 1081 N SER A 77 9.130 5.509 6.554 1.00 10.00 N ATOM 1082 CA SER A 77 9.765 5.240 7.843 1.00 10.00 C ATOM 1083 C SER A 77 8.902 4.310 8.681 1.00 10.00 C ATOM 1084 O SER A 77 9.397 3.355 9.249 1.00 10.00 O ATOM 1085 CB SER A 77 10.041 6.546 8.592 1.00 10.00 C ATOM 1086 OG SER A 77 10.726 7.481 7.765 1.00 10.00 O ATOM 0 H SER A 77 8.991 6.500 6.355 1.00 10.00 H new ATOM 0 HA SER A 77 10.719 4.746 7.659 1.00 10.00 H new ATOM 0 HB2 SER A 77 9.100 6.979 8.932 1.00 10.00 H new ATOM 0 HB3 SER A 77 10.636 6.339 9.481 1.00 10.00 H new ATOM 0 HG SER A 77 10.116 7.816 7.075 1.00 10.00 H new ATOM 1092 N HIS A 78 7.609 4.571 8.713 1.00 10.00 N ATOM 1093 CA HIS A 78 6.695 3.676 9.450 1.00 10.00 C ATOM 1094 C HIS A 78 6.591 2.299 8.784 1.00 10.00 C ATOM 1095 O HIS A 78 6.612 1.260 9.441 1.00 10.00 O ATOM 1096 CB HIS A 78 5.312 4.290 9.596 1.00 10.00 C ATOM 1097 CG HIS A 78 5.218 5.394 10.601 1.00 10.00 C ATOM 1098 ND1 HIS A 78 5.327 6.729 10.278 1.00 10.00 N ATOM 1099 CD2 HIS A 78 4.981 5.351 11.926 1.00 10.00 C ATOM 1100 CE1 HIS A 78 5.158 7.451 11.365 1.00 10.00 C ATOM 1101 NE2 HIS A 78 4.947 6.636 12.377 1.00 10.00 N ATOM 0 H HIS A 78 7.164 5.367 8.257 1.00 10.00 H new ATOM 0 HA HIS A 78 7.121 3.543 10.445 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.996 4.673 8.626 1.00 10.00 H new ATOM 0 HB3 HIS A 78 4.609 3.505 9.873 1.00 10.00 H new ATOM 0 HD1 HIS A 78 5.510 7.099 9.345 1.00 10.00 H new ATOM 0 HD2 HIS A 78 4.843 4.461 12.522 1.00 10.00 H new ATOM 0 HE1 HIS A 78 5.187 8.529 11.418 1.00 10.00 H new ATOM 1110 N ILE A 79 6.520 2.315 7.492 1.00 10.00 N ATOM 1111 CA ILE A 79 6.375 1.132 6.670 1.00 10.00 C ATOM 1112 C ILE A 79 7.622 0.230 6.648 1.00 10.00 C ATOM 1113 O ILE A 79 7.504 -1.002 6.672 1.00 10.00 O ATOM 1114 CB ILE A 79 5.883 1.550 5.260 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.358 1.649 5.230 1.00 10.00 C ATOM 1116 CG2 ILE A 79 6.466 0.749 4.126 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.793 2.079 3.910 1.00 10.00 C ATOM 0 H ILE A 79 6.562 3.178 6.950 1.00 10.00 H new ATOM 0 HA ILE A 79 5.618 0.493 7.124 1.00 10.00 H new ATOM 0 HB ILE A 79 6.280 2.548 5.075 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.937 0.678 5.493 1.00 10.00 H new ATOM 0 HG13 ILE A 79 4.036 2.354 5.997 1.00 10.00 H new ATOM 0 HG21 ILE A 79 6.065 1.112 3.180 1.00 10.00 H new ATOM 0 HG22 ILE A 79 7.551 0.856 4.125 1.00 10.00 H new ATOM 0 HG23 ILE A 79 6.205 -0.302 4.251 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.706 2.123 3.977 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.181 3.064 3.652 1.00 10.00 H new ATOM 0 HD13 ILE A 79 4.081 1.363 3.140 1.00 10.00 H new ATOM 1129 N GLN A 80 8.774 0.838 6.561 1.00 10.00 N ATOM 1130 CA GLN A 80 10.071 0.196 6.632 1.00 10.00 C ATOM 1131 C GLN A 80 10.440 -0.193 8.076 1.00 10.00 C ATOM 1132 O GLN A 80 11.525 -0.681 8.348 1.00 10.00 O ATOM 1133 CB GLN A 80 11.101 1.113 5.981 1.00 10.00 C ATOM 1134 CG GLN A 80 10.769 1.397 4.512 1.00 10.00 C ATOM 1135 CD GLN A 80 10.751 0.168 3.724 1.00 10.00 C ATOM 1136 OE1 GLN A 80 11.758 -0.269 3.181 1.00 10.00 O ATOM 1137 NE2 GLN A 80 9.654 -0.391 3.627 1.00 10.00 N ATOM 0 H GLN A 80 8.843 1.847 6.432 1.00 10.00 H new ATOM 0 HA GLN A 80 10.047 -0.745 6.083 1.00 10.00 H new ATOM 0 HB2 GLN A 80 11.148 2.053 6.530 1.00 10.00 H new ATOM 0 HB3 GLN A 80 12.088 0.655 6.048 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.798 1.889 4.445 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.505 2.086 4.098 1.00 10.00 H new ATOM 0 HE21 GLN A 80 8.838 0.004 4.094 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.565 -1.247 3.080 1.00 10.00 H new ATOM 1146 N ARG A 81 9.530 0.074 8.987 1.00 10.00 N ATOM 1147 CA ARG A 81 9.567 -0.471 10.337 1.00 10.00 C ATOM 1148 C ARG A 81 8.525 -1.573 10.381 1.00 10.00 C ATOM 1149 O ARG A 81 7.926 -1.837 11.415 1.00 10.00 O ATOM 1150 CB ARG A 81 9.232 0.598 11.385 1.00 10.00 C ATOM 1151 CG ARG A 81 10.295 1.645 11.599 1.00 10.00 C ATOM 1152 CD ARG A 81 11.595 1.034 12.066 1.00 10.00 C ATOM 1153 NE ARG A 81 12.617 2.047 12.325 1.00 10.00 N ATOM 1154 CZ ARG A 81 13.837 1.795 12.798 1.00 10.00 C ATOM 1155 NH1 ARG A 81 14.161 0.567 13.189 1.00 10.00 N ATOM 1156 NH2 ARG A 81 14.718 2.780 12.913 1.00 10.00 N ATOM 0 H ARG A 81 8.731 0.683 8.814 1.00 10.00 H new ATOM 0 HA ARG A 81 10.566 -0.841 10.568 1.00 10.00 H new ATOM 0 HB2 ARG A 81 8.309 1.096 11.090 1.00 10.00 H new ATOM 0 HB3 ARG A 81 9.037 0.102 12.336 1.00 10.00 H new ATOM 0 HG2 ARG A 81 10.462 2.189 10.670 1.00 10.00 H new ATOM 0 HG3 ARG A 81 9.949 2.370 12.335 1.00 10.00 H new ATOM 0 HD2 ARG A 81 11.418 0.457 12.974 1.00 10.00 H new ATOM 0 HD3 ARG A 81 11.959 0.337 11.311 1.00 10.00 H new ATOM 0 HE ARG A 81 12.378 3.019 12.129 1.00 10.00 H new ATOM 0 HH11 ARG A 81 13.475 -0.185 13.127 1.00 10.00 H new ATOM 0 HH12 ARG A 81 15.096 0.377 13.551 1.00 10.00 H new ATOM 0 HH21 ARG A 81 14.461 3.728 12.640 1.00 10.00 H new ATOM 0 HH22 ARG A 81 15.652 2.589 13.275 1.00 10.00 H new ATOM 1170 N ASP A 82 8.379 -2.211 9.207 1.00 10.00 N ATOM 1171 CA ASP A 82 7.419 -3.247 8.844 1.00 10.00 C ATOM 1172 C ASP A 82 6.762 -4.015 9.940 1.00 10.00 C ATOM 1173 O ASP A 82 7.387 -4.499 10.890 1.00 10.00 O ATOM 1174 CB ASP A 82 7.941 -4.204 7.806 1.00 10.00 C ATOM 1175 CG ASP A 82 9.083 -5.107 8.234 1.00 10.00 C ATOM 1176 OD1 ASP A 82 10.256 -4.699 8.106 1.00 10.00 O ATOM 1177 OD2 ASP A 82 8.826 -6.259 8.644 1.00 10.00 O ATOM 0 H ASP A 82 8.990 -1.988 8.422 1.00 10.00 H new ATOM 0 HA ASP A 82 6.624 -2.627 8.429 1.00 10.00 H new ATOM 0 HB2 ASP A 82 7.114 -4.832 7.474 1.00 10.00 H new ATOM 0 HB3 ASP A 82 8.268 -3.626 6.942 1.00 10.00 H new ATOM 1182 N ARG A 83 5.457 -4.151 9.767 1.00 10.00 N ATOM 1183 CA ARG A 83 4.587 -4.782 10.728 1.00 10.00 C ATOM 1184 C ARG A 83 3.508 -5.564 10.004 1.00 10.00 C ATOM 1185 O ARG A 83 3.555 -6.773 9.933 1.00 10.00 O ATOM 1186 CB ARG A 83 3.959 -3.702 11.606 1.00 10.00 C ATOM 1187 CG ARG A 83 4.997 -2.891 12.319 1.00 10.00 C ATOM 1188 CD ARG A 83 4.430 -1.686 13.016 1.00 10.00 C ATOM 1189 NE ARG A 83 5.502 -0.888 13.589 1.00 10.00 N ATOM 1190 CZ ARG A 83 5.470 0.424 13.794 1.00 10.00 C ATOM 1191 NH1 ARG A 83 4.383 1.121 13.499 1.00 10.00 N ATOM 1192 NH2 ARG A 83 6.527 1.031 14.306 1.00 10.00 N ATOM 0 H ARG A 83 4.970 -3.817 8.936 1.00 10.00 H new ATOM 0 HA ARG A 83 5.156 -5.472 11.351 1.00 10.00 H new ATOM 0 HB2 ARG A 83 3.344 -3.045 10.990 1.00 10.00 H new ATOM 0 HB3 ARG A 83 3.296 -4.167 12.336 1.00 10.00 H new ATOM 0 HG2 ARG A 83 5.502 -3.522 13.050 1.00 10.00 H new ATOM 0 HG3 ARG A 83 5.751 -2.567 11.602 1.00 10.00 H new ATOM 0 HD2 ARG A 83 3.856 -1.085 12.311 1.00 10.00 H new ATOM 0 HD3 ARG A 83 3.742 -2.001 13.800 1.00 10.00 H new ATOM 0 HE ARG A 83 6.355 -1.379 13.857 1.00 10.00 H new ATOM 0 HH11 ARG A 83 3.565 0.650 13.112 1.00 10.00 H new ATOM 0 HH12 ARG A 83 4.364 2.128 13.659 1.00 10.00 H new ATOM 0 HH21 ARG A 83 7.360 0.492 14.541 1.00 10.00 H new ATOM 0 HH22 ARG A 83 6.509 2.038 14.466 1.00 10.00 H new ATOM 1206 N ARG A 84 2.581 -4.856 9.371 1.00 10.00 N ATOM 1207 CA ARG A 84 1.466 -5.533 8.710 1.00 10.00 C ATOM 1208 C ARG A 84 1.777 -5.847 7.223 1.00 10.00 C ATOM 1209 O ARG A 84 0.938 -5.674 6.361 1.00 10.00 O ATOM 1210 CB ARG A 84 0.153 -4.735 8.777 1.00 10.00 C ATOM 1211 CG ARG A 84 -0.413 -4.345 10.137 1.00 10.00 C ATOM 1212 CD ARG A 84 0.202 -3.087 10.734 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.547 -2.676 11.930 1.00 10.00 N ATOM 1214 CZ ARG A 84 -0.549 -1.452 12.509 1.00 10.00 C ATOM 1215 NH1 ARG A 84 0.092 -0.415 11.943 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -1.244 -1.254 13.620 1.00 10.00 N ATOM 0 H ARG A 84 2.574 -3.839 9.300 1.00 10.00 H new ATOM 0 HA ARG A 84 1.336 -6.463 9.263 1.00 10.00 H new ATOM 0 HB2 ARG A 84 0.298 -3.817 8.207 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -0.610 -5.315 8.259 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -1.489 -4.199 10.041 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -0.264 -5.173 10.830 1.00 10.00 H new ATOM 0 HD2 ARG A 84 1.244 -3.271 10.994 1.00 10.00 H new ATOM 0 HD3 ARG A 84 0.194 -2.284 9.997 1.00 10.00 H new ATOM 0 HE ARG A 84 -1.128 -3.389 12.371 1.00 10.00 H new ATOM 0 HH11 ARG A 84 0.591 -0.543 11.063 1.00 10.00 H new ATOM 0 HH12 ARG A 84 0.079 0.500 12.394 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -1.773 -2.021 14.034 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -1.250 -0.334 14.061 1.00 10.00 H new ATOM 1230 N HIS A 85 2.973 -6.321 6.943 1.00 10.00 N ATOM 1231 CA HIS A 85 3.386 -6.729 5.613 1.00 10.00 C ATOM 1232 C HIS A 85 4.686 -7.407 5.706 1.00 10.00 C ATOM 1233 O HIS A 85 5.313 -7.394 6.755 1.00 10.00 O ATOM 1234 CB HIS A 85 3.471 -5.581 4.553 1.00 10.00 C ATOM 1235 CG HIS A 85 4.191 -4.343 4.968 1.00 10.00 C ATOM 1236 ND1 HIS A 85 4.019 -3.127 4.355 1.00 10.00 N ATOM 1237 CD2 HIS A 85 5.085 -4.135 5.945 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.776 -2.252 4.940 1.00 10.00 C ATOM 1239 NE2 HIS A 85 5.422 -2.840 5.918 1.00 10.00 N ATOM 0 H HIS A 85 3.702 -6.437 7.647 1.00 10.00 H new ATOM 0 HA HIS A 85 2.601 -7.393 5.250 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.958 -5.976 3.661 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.456 -5.305 4.267 1.00 10.00 H new ATOM 0 HD2 HIS A 85 5.465 -4.878 6.630 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.861 -1.211 4.667 1.00 10.00 H new ATOM 0 HE2 HIS A 85 6.075 -2.384 6.555 1.00 10.00 H new ATOM 1248 N SER A 86 5.081 -7.961 4.623 1.00 10.00 N ATOM 1249 CA SER A 86 6.322 -8.625 4.500 1.00 10.00 C ATOM 1250 C SER A 86 7.477 -7.574 4.322 1.00 10.00 C ATOM 1251 O SER A 86 7.361 -6.430 4.792 1.00 10.00 O ATOM 1252 CB SER A 86 6.155 -9.530 3.301 1.00 10.00 C ATOM 1253 OG SER A 86 7.307 -10.273 2.978 1.00 10.00 O ATOM 0 H SER A 86 4.529 -7.965 3.766 1.00 10.00 H new ATOM 0 HA SER A 86 6.595 -9.206 5.381 1.00 10.00 H new ATOM 0 HB2 SER A 86 5.332 -10.219 3.491 1.00 10.00 H new ATOM 0 HB3 SER A 86 5.872 -8.926 2.439 1.00 10.00 H new ATOM 0 HG SER A 86 7.049 -11.076 2.479 1.00 10.00 H new ATOM 1259 N ASN A 87 8.510 -7.976 3.568 1.00 10.00 N ATOM 1260 CA ASN A 87 9.815 -7.280 3.306 1.00 10.00 C ATOM 1261 C ASN A 87 9.708 -5.829 3.083 1.00 10.00 C ATOM 1262 O ASN A 87 10.569 -5.058 3.496 1.00 10.00 O ATOM 1263 CB ASN A 87 10.539 -7.858 2.074 1.00 10.00 C ATOM 1264 CG ASN A 87 10.829 -9.329 2.104 1.00 10.00 C ATOM 1265 OD1 ASN A 87 11.016 -9.922 3.149 1.00 10.00 O ATOM 1266 ND2 ASN A 87 10.880 -9.926 0.943 1.00 10.00 N ATOM 0 H ASN A 87 8.469 -8.869 3.077 1.00 10.00 H new ATOM 0 HA ASN A 87 10.374 -7.455 4.225 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.935 -7.646 1.192 1.00 10.00 H new ATOM 0 HB3 ASN A 87 11.482 -7.326 1.950 1.00 10.00 H new ATOM 0 HD21 ASN A 87 11.082 -10.924 0.891 1.00 10.00 H new ATOM 0 HD22 ASN A 87 10.717 -9.394 0.088 1.00 10.00 H new ATOM 1273 N VAL A 88 8.642 -5.483 2.498 1.00 10.00 N ATOM 1274 CA VAL A 88 8.352 -4.209 2.012 1.00 10.00 C ATOM 1275 C VAL A 88 9.456 -3.559 1.246 1.00 10.00 C ATOM 1276 O VAL A 88 10.146 -2.636 1.698 1.00 10.00 O ATOM 1277 CB VAL A 88 7.575 -3.335 2.982 1.00 10.00 C ATOM 1278 CG1 VAL A 88 8.231 -3.162 4.310 1.00 10.00 C ATOM 1279 CG2 VAL A 88 7.177 -2.027 2.394 1.00 10.00 C ATOM 0 H VAL A 88 7.883 -6.143 2.332 1.00 10.00 H new ATOM 0 HA VAL A 88 7.622 -4.371 1.219 1.00 10.00 H new ATOM 0 HB VAL A 88 6.660 -3.896 3.173 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.612 -2.525 4.942 1.00 10.00 H new ATOM 0 HG12 VAL A 88 8.353 -4.135 4.785 1.00 10.00 H new ATOM 0 HG13 VAL A 88 9.208 -2.699 4.175 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.625 -1.448 3.135 1.00 10.00 H new ATOM 0 HG22 VAL A 88 8.069 -1.477 2.094 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.545 -2.197 1.522 1.00 10.00 H new ATOM 1289 N GLU A 89 9.632 -4.103 0.098 1.00 10.00 N ATOM 1290 CA GLU A 89 10.623 -3.675 -0.816 1.00 10.00 C ATOM 1291 C GLU A 89 10.059 -2.600 -1.683 1.00 10.00 C ATOM 1292 O GLU A 89 9.332 -2.884 -2.642 1.00 10.00 O ATOM 1293 CB GLU A 89 11.059 -4.841 -1.657 1.00 10.00 C ATOM 1294 CG GLU A 89 11.750 -5.905 -0.874 1.00 10.00 C ATOM 1295 CD GLU A 89 11.669 -7.245 -1.539 1.00 10.00 C ATOM 1296 OE1 GLU A 89 10.616 -7.901 -1.428 1.00 10.00 O ATOM 1297 OE2 GLU A 89 12.624 -7.651 -2.220 1.00 10.00 O ATOM 0 H GLU A 89 9.071 -4.884 -0.241 1.00 10.00 H new ATOM 0 HA GLU A 89 11.485 -3.284 -0.275 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.187 -5.271 -2.151 1.00 10.00 H new ATOM 0 HB3 GLU A 89 11.727 -4.485 -2.442 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.797 -5.632 -0.739 1.00 10.00 H new ATOM 0 HG3 GLU A 89 11.306 -5.968 0.120 1.00 10.00 H new ATOM 1304 N ILE A 90 10.227 -1.390 -1.214 1.00 10.00 N ATOM 1305 CA ILE A 90 9.971 -0.185 -1.982 1.00 10.00 C ATOM 1306 C ILE A 90 10.659 -0.350 -3.291 1.00 10.00 C ATOM 1307 O ILE A 90 10.051 -0.638 -4.292 1.00 10.00 O ATOM 1308 CB ILE A 90 10.521 1.094 -1.247 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.309 1.012 0.261 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.876 2.382 -1.767 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.890 0.772 0.668 1.00 10.00 C ATOM 0 H ILE A 90 10.553 -1.204 -0.266 1.00 10.00 H new ATOM 0 HA ILE A 90 8.897 -0.045 -2.108 1.00 10.00 H new ATOM 0 HB ILE A 90 11.589 1.124 -1.461 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.930 0.211 0.661 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.654 1.940 0.716 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.287 3.237 -1.230 1.00 10.00 H new ATOM 0 HG22 ILE A 90 10.083 2.488 -2.832 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.798 2.339 -1.610 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.826 0.727 1.755 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.264 1.585 0.301 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.545 -0.171 0.245 1.00 10.00 H new ATOM 1323 N LEU A 91 11.924 -0.253 -3.232 1.00 10.00 N ATOM 1324 CA LEU A 91 12.843 -0.388 -4.339 1.00 10.00 C ATOM 1325 C LEU A 91 12.714 0.746 -5.346 1.00 10.00 C ATOM 1326 O LEU A 91 13.692 1.105 -6.002 1.00 10.00 O ATOM 1327 CB LEU A 91 12.734 -1.767 -5.017 1.00 10.00 C ATOM 1328 CG LEU A 91 13.044 -2.983 -4.129 1.00 10.00 C ATOM 1329 CD1 LEU A 91 12.851 -4.262 -4.914 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.468 -2.906 -3.610 1.00 10.00 C ATOM 0 H LEU A 91 12.405 -0.063 -2.353 1.00 10.00 H new ATOM 0 HA LEU A 91 13.844 -0.316 -3.914 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.723 -1.877 -5.410 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.411 -1.784 -5.871 1.00 10.00 H new ATOM 0 HG LEU A 91 12.359 -2.979 -3.281 1.00 10.00 H new ATOM 0 HD11 LEU A 91 13.073 -5.117 -4.276 1.00 10.00 H new ATOM 0 HD12 LEU A 91 11.819 -4.325 -5.259 1.00 10.00 H new ATOM 0 HD13 LEU A 91 13.522 -4.266 -5.773 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.674 -3.773 -2.983 1.00 10.00 H new ATOM 0 HD22 LEU A 91 15.162 -2.893 -4.451 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.593 -1.996 -3.023 1.00 10.00 H new ATOM 1342 N ALA A 92 11.544 1.339 -5.451 1.00 10.00 N ATOM 1343 CA ALA A 92 11.335 2.388 -6.408 1.00 10.00 C ATOM 1344 C ALA A 92 10.790 3.624 -5.750 1.00 10.00 C ATOM 1345 O ALA A 92 9.677 3.623 -5.226 1.00 10.00 O ATOM 1346 CB ALA A 92 10.415 1.925 -7.520 1.00 10.00 C ATOM 0 H ALA A 92 10.728 1.108 -4.884 1.00 10.00 H new ATOM 0 HA ALA A 92 12.302 2.639 -6.843 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.270 2.736 -8.234 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.860 1.069 -8.028 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.452 1.636 -7.099 1.00 10.00 H new ATOM 1352 N GLU A 93 11.580 4.661 -5.752 1.00 10.00 N ATOM 1353 CA GLU A 93 11.166 5.936 -5.243 1.00 10.00 C ATOM 1354 C GLU A 93 11.493 6.956 -6.309 1.00 10.00 C ATOM 1355 O GLU A 93 12.664 7.200 -6.607 1.00 10.00 O ATOM 1356 CB GLU A 93 11.906 6.287 -3.949 1.00 10.00 C ATOM 1357 CG GLU A 93 11.790 5.265 -2.864 1.00 10.00 C ATOM 1358 CD GLU A 93 12.606 5.625 -1.660 1.00 10.00 C ATOM 1359 OE1 GLU A 93 13.809 5.305 -1.632 1.00 10.00 O ATOM 1360 OE2 GLU A 93 12.067 6.235 -0.710 1.00 10.00 O ATOM 0 H GLU A 93 12.535 4.644 -6.109 1.00 10.00 H new ATOM 0 HA GLU A 93 10.101 5.920 -5.011 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.961 6.434 -4.179 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.525 7.238 -3.576 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.744 5.161 -2.575 1.00 10.00 H new ATOM 0 HG3 GLU A 93 12.113 4.296 -3.244 1.00 10.00 H new ATOM 1367 N GLU A 94 10.487 7.510 -6.905 1.00 10.00 N ATOM 1368 CA GLU A 94 10.667 8.462 -7.979 1.00 10.00 C ATOM 1369 C GLU A 94 10.069 9.810 -7.631 1.00 10.00 C ATOM 1370 O GLU A 94 9.022 9.887 -6.996 1.00 10.00 O ATOM 1371 CB GLU A 94 10.065 7.916 -9.293 1.00 10.00 C ATOM 1372 CG GLU A 94 8.635 7.380 -9.150 1.00 10.00 C ATOM 1373 CD GLU A 94 8.046 6.914 -10.460 1.00 10.00 C ATOM 1374 OE1 GLU A 94 8.449 5.844 -10.967 1.00 10.00 O ATOM 1375 OE2 GLU A 94 7.161 7.595 -11.013 1.00 10.00 O ATOM 0 H GLU A 94 9.513 7.322 -6.669 1.00 10.00 H new ATOM 0 HA GLU A 94 11.738 8.606 -8.122 1.00 10.00 H new ATOM 0 HB2 GLU A 94 10.071 8.709 -10.040 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.705 7.118 -9.670 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.633 6.552 -8.442 1.00 10.00 H new ATOM 0 HG3 GLU A 94 8.001 8.160 -8.730 1.00 10.00 H new ATOM 1382 N SER A 95 10.752 10.854 -7.994 1.00 10.00 N ATOM 1383 CA SER A 95 10.264 12.191 -7.823 1.00 10.00 C ATOM 1384 C SER A 95 9.211 12.470 -8.885 1.00 10.00 C ATOM 1385 O SER A 95 9.465 12.312 -10.079 1.00 10.00 O ATOM 1386 CB SER A 95 11.445 13.153 -7.905 1.00 10.00 C ATOM 1387 OG SER A 95 12.299 12.821 -9.005 1.00 10.00 O ATOM 0 H SER A 95 11.676 10.801 -8.423 1.00 10.00 H new ATOM 0 HA SER A 95 9.792 12.324 -6.850 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.080 14.174 -8.018 1.00 10.00 H new ATOM 0 HB3 SER A 95 12.013 13.118 -6.975 1.00 10.00 H new ATOM 0 HG SER A 95 11.753 12.563 -9.777 1.00 10.00 H new ATOM 1393 N ILE A 96 8.028 12.831 -8.462 1.00 10.00 N ATOM 1394 CA ILE A 96 6.945 13.029 -9.404 1.00 10.00 C ATOM 1395 C ILE A 96 6.306 14.394 -9.351 1.00 10.00 C ATOM 1396 O ILE A 96 6.559 15.188 -8.460 1.00 10.00 O ATOM 1397 CB ILE A 96 5.839 11.992 -9.268 1.00 10.00 C ATOM 1398 CG1 ILE A 96 5.251 11.989 -7.877 1.00 10.00 C ATOM 1399 CG2 ILE A 96 6.348 10.619 -9.672 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.904 11.354 -7.772 1.00 10.00 C ATOM 0 H ILE A 96 7.786 12.994 -7.485 1.00 10.00 H new ATOM 0 HA ILE A 96 7.445 12.921 -10.366 1.00 10.00 H new ATOM 0 HB ILE A 96 5.031 12.262 -9.948 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.937 11.468 -7.208 1.00 10.00 H new ATOM 0 HG13 ILE A 96 5.181 13.018 -7.524 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.545 9.889 -9.569 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.684 10.646 -10.709 1.00 10.00 H new ATOM 0 HG23 ILE A 96 7.181 10.336 -9.028 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.561 11.397 -6.738 1.00 10.00 H new ATOM 0 HD12 ILE A 96 3.200 11.887 -8.411 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.967 10.313 -8.090 1.00 10.00 H new ATOM 1412 N ALA A 97 5.476 14.662 -10.329 1.00 10.00 N ATOM 1413 CA ALA A 97 4.669 15.874 -10.343 1.00 10.00 C ATOM 1414 C ALA A 97 3.259 15.513 -10.046 1.00 10.00 C ATOM 1415 O ALA A 97 2.359 16.362 -9.899 1.00 10.00 O ATOM 1416 CB ALA A 97 4.752 16.569 -11.650 1.00 10.00 C ATOM 0 H ALA A 97 5.336 14.055 -11.137 1.00 10.00 H new ATOM 0 HA ALA A 97 5.051 16.558 -9.585 1.00 10.00 H new ATOM 0 HB1 ALA A 97 4.137 17.469 -11.623 1.00 10.00 H new ATOM 0 HB2 ALA A 97 5.788 16.843 -11.851 1.00 10.00 H new ATOM 0 HB3 ALA A 97 4.392 15.907 -12.438 1.00 10.00 H new ATOM 1422 N LYS A 98 3.126 14.244 -9.883 1.00 10.00 N ATOM 1423 CA LYS A 98 1.969 13.556 -9.658 1.00 10.00 C ATOM 1424 C LYS A 98 1.007 13.739 -10.835 1.00 10.00 C ATOM 1425 O LYS A 98 1.453 13.992 -11.961 1.00 10.00 O ATOM 1426 CB LYS A 98 1.474 13.989 -8.334 1.00 10.00 C ATOM 1427 CG LYS A 98 0.522 13.099 -7.727 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.494 13.807 -6.928 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.029 13.872 -5.549 1.00 10.00 C ATOM 1430 NZ LYS A 98 -0.984 14.573 -4.672 1.00 10.00 N ATOM 0 H LYS A 98 3.934 13.623 -9.913 1.00 10.00 H new ATOM 0 HA LYS A 98 2.105 12.475 -9.613 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.325 14.101 -7.662 1.00 10.00 H new ATOM 0 HB3 LYS A 98 1.017 14.973 -8.436 1.00 10.00 H new ATOM 0 HG2 LYS A 98 0.026 12.519 -8.505 1.00 10.00 H new ATOM 0 HG3 LYS A 98 1.050 12.390 -7.089 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.655 14.810 -7.322 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.450 13.286 -6.982 1.00 10.00 H new ATOM 0 HE2 LYS A 98 0.132 12.861 -5.174 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.934 14.382 -5.516 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -0.738 14.394 -3.678 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -0.942 15.595 -4.860 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -1.946 14.226 -4.859 1.00 10.00 H new ATOM 1444 N ARG A 99 -0.251 13.540 -10.581 1.00 10.00 N ATOM 1445 CA ARG A 99 -1.333 13.627 -11.563 1.00 10.00 C ATOM 1446 C ARG A 99 -1.519 12.322 -12.302 1.00 10.00 C ATOM 1447 O ARG A 99 -1.162 12.183 -13.474 1.00 10.00 O ATOM 1448 CB ARG A 99 -1.274 14.859 -12.529 1.00 10.00 C ATOM 1449 CG ARG A 99 -1.680 16.196 -11.915 1.00 10.00 C ATOM 1450 CD ARG A 99 -0.717 16.675 -10.839 1.00 10.00 C ATOM 1451 NE ARG A 99 -1.200 17.887 -10.181 1.00 10.00 N ATOM 1452 CZ ARG A 99 -0.726 18.387 -9.039 1.00 10.00 C ATOM 1453 NH1 ARG A 99 0.408 17.924 -8.510 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -1.354 19.394 -8.460 1.00 10.00 N ATOM 0 H ARG A 99 -0.585 13.301 -9.647 1.00 10.00 H new ATOM 0 HA ARG A 99 -2.227 13.814 -10.968 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -0.258 14.949 -12.913 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.921 14.660 -13.383 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -1.739 16.948 -12.702 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -2.678 16.104 -11.486 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -0.580 15.888 -10.097 1.00 10.00 H new ATOM 0 HD3 ARG A 99 0.259 16.867 -11.284 1.00 10.00 H new ATOM 0 HE ARG A 99 -1.963 18.392 -10.632 1.00 10.00 H new ATOM 0 HH11 ARG A 99 0.923 17.179 -8.980 1.00 10.00 H new ATOM 0 HH12 ARG A 99 0.760 18.315 -7.636 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -2.195 19.783 -8.886 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -0.998 19.782 -7.586 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.009 11.343 -11.567 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.321 10.021 -12.082 1.00 10.00 C ATOM 1470 C ARG A 100 -3.575 9.569 -11.374 1.00 10.00 C ATOM 1471 O ARG A 100 -4.614 9.308 -11.991 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.209 9.002 -11.787 1.00 10.00 C ATOM 1473 CG ARG A 100 0.168 9.328 -12.334 1.00 10.00 C ATOM 1474 CD ARG A 100 1.125 8.226 -11.961 1.00 10.00 C ATOM 1475 NE ARG A 100 2.519 8.516 -12.292 1.00 10.00 N ATOM 1476 CZ ARG A 100 3.557 8.231 -11.488 1.00 10.00 C ATOM 1477 NH1 ARG A 100 3.344 7.860 -10.214 1.00 10.00 N ATOM 1478 NH2 ARG A 100 4.793 8.383 -11.941 1.00 10.00 N ATOM 0 H ARG A 100 -2.206 11.446 -10.572 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.436 10.077 -13.165 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.129 8.887 -10.706 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.516 8.036 -12.188 1.00 10.00 H new ATOM 0 HG2 ARG A 100 0.125 9.437 -13.418 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.516 10.279 -11.932 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.048 8.038 -10.890 1.00 10.00 H new ATOM 0 HD3 ARG A 100 0.824 7.309 -12.468 1.00 10.00 H new ATOM 0 HE ARG A 100 2.716 8.962 -13.188 1.00 10.00 H new ATOM 0 HH11 ARG A 100 2.392 7.794 -9.854 1.00 10.00 H new ATOM 0 HH12 ARG A 100 4.135 7.644 -9.607 1.00 10.00 H new ATOM 0 HH21 ARG A 100 4.950 8.714 -12.893 1.00 10.00 H new ATOM 0 HH22 ARG A 100 5.587 8.169 -11.338 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.470 9.480 -10.064 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.581 9.158 -9.215 1.00 10.00 C ATOM 1494 C PHE A 101 -4.919 10.383 -8.413 1.00 10.00 C ATOM 1495 O PHE A 101 -4.071 11.269 -8.271 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.244 7.971 -8.291 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.240 6.634 -8.990 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.312 6.338 -9.977 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.190 5.683 -8.673 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -3.334 5.123 -10.624 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -5.219 4.467 -9.317 1.00 10.00 C ATOM 1502 CZ PHE A 101 -4.290 4.186 -10.293 1.00 10.00 C ATOM 0 H PHE A 101 -2.596 9.633 -9.560 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.437 8.857 -9.819 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.265 8.139 -7.843 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -4.967 7.941 -7.476 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.563 7.070 -10.241 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -5.922 5.897 -7.908 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -2.604 4.904 -11.389 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.969 3.735 -9.057 1.00 10.00 H new ATOM 0 HZ PHE A 101 -4.310 3.232 -10.799 1.00 10.00 H new ATOM 1512 N ALA A 102 -6.137 10.476 -7.931 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.524 11.617 -7.124 1.00 10.00 C ATOM 1514 C ALA A 102 -6.839 11.184 -5.708 1.00 10.00 C ATOM 1515 O ALA A 102 -7.052 12.008 -4.823 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.683 12.364 -7.747 1.00 10.00 C ATOM 0 H ALA A 102 -6.872 9.785 -8.080 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.681 12.307 -7.085 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.949 13.213 -7.118 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -7.396 12.721 -8.736 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.540 11.697 -7.836 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.854 9.904 -5.502 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.040 9.367 -4.198 1.00 10.00 C ATOM 1524 C GLY A 103 -6.367 8.038 -4.092 1.00 10.00 C ATOM 1525 O GLY A 103 -6.062 7.418 -5.116 1.00 10.00 O ATOM 0 H GLY A 103 -6.737 9.205 -6.236 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.633 10.050 -3.453 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.104 9.263 -3.987 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.075 7.621 -2.896 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.528 6.307 -2.653 1.00 10.00 C ATOM 1531 C TRP A 104 -6.667 5.281 -2.626 1.00 10.00 C ATOM 1532 O TRP A 104 -7.739 5.543 -2.082 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.638 6.310 -1.377 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.213 4.970 -0.834 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -3.000 4.339 -0.953 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -5.016 4.131 -0.042 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -3.036 3.146 -0.272 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.277 3.006 0.289 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.309 4.232 0.409 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -4.819 2.004 1.063 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.832 3.291 1.138 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -6.116 2.188 1.471 1.00 10.00 C ATOM 0 H TRP A 104 -6.208 8.180 -2.054 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.862 6.013 -3.464 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.739 6.888 -1.593 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.176 6.839 -0.590 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.149 4.721 -1.497 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.269 2.478 -0.197 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.897 5.102 0.156 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -4.255 1.123 1.333 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.851 3.389 1.483 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.584 1.428 2.079 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.431 4.145 -3.243 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.421 3.094 -3.395 1.00 10.00 C ATOM 1555 C HIS A 105 -6.929 1.833 -2.745 1.00 10.00 C ATOM 1556 O HIS A 105 -5.744 1.704 -2.505 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.618 2.816 -4.877 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.223 3.929 -5.641 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.480 4.925 -6.235 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.506 4.205 -5.919 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.289 5.754 -6.845 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.517 5.342 -6.668 1.00 10.00 N ATOM 0 H HIS A 105 -5.529 3.918 -3.662 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.355 3.411 -2.931 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.651 2.574 -5.319 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -8.249 1.934 -4.986 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -6.464 5.004 -6.205 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.368 3.633 -5.607 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -7.992 6.631 -7.401 1.00 10.00 H new ATOM 1571 N MET A 106 -7.809 0.907 -2.487 1.00 10.00 N ATOM 1572 CA MET A 106 -7.417 -0.372 -1.944 1.00 10.00 C ATOM 1573 C MET A 106 -8.396 -1.438 -2.379 1.00 10.00 C ATOM 1574 O MET A 106 -9.606 -1.218 -2.375 1.00 10.00 O ATOM 1575 CB MET A 106 -7.287 -0.321 -0.410 1.00 10.00 C ATOM 1576 CG MET A 106 -6.786 -1.613 0.218 1.00 10.00 C ATOM 1577 SD MET A 106 -6.287 -1.421 1.938 1.00 10.00 S ATOM 1578 CE MET A 106 -5.727 -3.075 2.344 1.00 10.00 C ATOM 0 H MET A 106 -8.811 1.011 -2.644 1.00 10.00 H new ATOM 0 HA MET A 106 -6.432 -0.624 -2.336 1.00 10.00 H new ATOM 0 HB2 MET A 106 -6.607 0.488 -0.141 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.259 -0.076 0.018 1.00 10.00 H new ATOM 0 HG2 MET A 106 -7.571 -2.367 0.156 1.00 10.00 H new ATOM 0 HG3 MET A 106 -5.940 -1.985 -0.359 1.00 10.00 H new ATOM 0 HE1 MET A 106 -5.711 -3.198 3.427 1.00 10.00 H new ATOM 0 HE2 MET A 106 -6.405 -3.807 1.905 1.00 10.00 H new ATOM 0 HE3 MET A 106 -4.723 -3.227 1.947 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.866 -2.566 -2.813 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.681 -3.696 -3.235 1.00 10.00 C ATOM 1590 C GLN A 107 -9.513 -4.245 -2.086 1.00 10.00 C ATOM 1591 O GLN A 107 -10.704 -4.530 -2.251 1.00 10.00 O ATOM 1592 CB GLN A 107 -7.814 -4.796 -3.845 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.129 -4.380 -5.136 1.00 10.00 C ATOM 1594 CD GLN A 107 -8.124 -3.998 -6.212 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -8.513 -2.832 -6.338 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -8.540 -4.961 -6.983 1.00 10.00 N ATOM 0 H GLN A 107 -6.861 -2.727 -2.884 1.00 10.00 H new ATOM 0 HA GLN A 107 -9.368 -3.335 -4.000 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -7.056 -5.095 -3.121 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -8.434 -5.672 -4.037 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -6.467 -3.537 -4.939 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -6.505 -5.198 -5.494 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -8.194 -5.910 -6.845 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -9.212 -4.766 -7.725 1.00 10.00 H new