USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1151 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 126 CYS SG : rot -61:sc= -0.12! USER MOD Set 1.2: A 127 THR OG1 : rot -160:sc= -2.48! USER MOD Set 2.1: A 119 LYS NZ :NH3+ -169:sc= -0.593 (180deg=-0.832) USER MOD Set 2.2: A 123 LYS NZ :NH3+ 157:sc= -0.094 (180deg=-0.638) USER MOD Set 3.1: A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 186 THR OG1 : rot 83:sc= 0.727 USER MOD Set 4.1: A 58 LYS NZ :NH3+ -111:sc= -0.0469 (180deg=-0.91) USER MOD Set 4.2: A 62 CYS SG : rot 180:sc= 0.173 USER MOD Single : A 15 SER OG : rot -5:sc= 0.283! USER MOD Single : A 16 SER OG : rot -140:sc= -0.0664 USER MOD Single : A 18 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 20 MET CE :methyl 157:sc= -0.266 (180deg=-1.15) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= -0.0824 (180deg=-0.763) USER MOD Single : A 22 THR OG1 : rot 87:sc= 0.679 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.11 F(o=-3!,f=-1.1) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -23:sc= 0.986 USER MOD Single : A 73 ASN : amide:sc= -0.465 K(o=-0.47,f=-4.1!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -3.72! C(o=-3.7!,f=-4.2!) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 103:sc= 1 USER MOD Single : A 128 LYS NZ :NH3+ 162:sc= -0.0236 (180deg=-0.336) USER MOD Single : A 135 THR OG1 : rot 77:sc= 0.481 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 140 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 153 GLN : amide:sc= -0.573 K(o=-0.57,f=-4.1!) USER MOD Single : A 155 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.31) USER MOD Single : A 163 SER OG : rot 95:sc= 0.335 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 GLN : amide:sc= -0.0574 X(o=-0.057,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 THR OG1 : rot -31:sc= 0.269 USER MOD Single : A 182 THR OG1 : rot -88:sc= 0.838 USER MOD Single : A 184 SER OG : rot -56:sc= 0.0196 USER MOD ----------------------------------------------------------------- ATOM 176 N SER A 15 20.031 6.008 -0.582 1.00 1.07 N ATOM 177 CA SER A 15 19.488 7.010 0.385 1.00 0.91 C ATOM 178 C SER A 15 17.968 6.863 0.515 1.00 0.75 C ATOM 179 O SER A 15 17.257 6.761 -0.465 1.00 0.78 O ATOM 180 CB SER A 15 19.795 8.413 -0.135 1.00 0.99 C ATOM 181 OG SER A 15 18.872 8.743 -1.163 1.00 1.38 O ATOM 0 HA SER A 15 19.949 6.846 1.359 1.00 0.91 H new ATOM 0 HB2 SER A 15 19.728 9.137 0.677 1.00 0.99 H new ATOM 0 HB3 SER A 15 20.815 8.457 -0.518 1.00 0.99 H new ATOM 0 HG SER A 15 18.301 7.969 -1.350 1.00 1.38 H new ATOM 187 N SER A 16 17.474 6.843 1.729 1.00 0.72 N ATOM 188 CA SER A 16 16.001 6.704 1.959 1.00 0.82 C ATOM 189 C SER A 16 15.225 7.558 0.945 1.00 0.81 C ATOM 190 O SER A 16 14.109 7.245 0.582 1.00 0.92 O ATOM 191 CB SER A 16 15.669 7.173 3.376 1.00 1.06 C ATOM 192 OG SER A 16 14.273 7.420 3.475 1.00 1.64 O ATOM 0 H SER A 16 18.033 6.918 2.579 1.00 0.72 H new ATOM 0 HA SER A 16 15.715 5.659 1.835 1.00 0.82 H new ATOM 0 HB2 SER A 16 15.968 6.416 4.101 1.00 1.06 H new ATOM 0 HB3 SER A 16 16.228 8.079 3.612 1.00 1.06 H new ATOM 0 HG SER A 16 14.121 8.226 4.011 1.00 1.64 H new ATOM 198 N GLU A 17 15.815 8.623 0.479 1.00 0.80 N ATOM 199 CA GLU A 17 15.124 9.489 -0.520 1.00 0.94 C ATOM 200 C GLU A 17 14.615 8.637 -1.688 1.00 0.85 C ATOM 201 O GLU A 17 13.589 8.920 -2.272 1.00 0.89 O ATOM 202 CB GLU A 17 16.089 10.561 -1.034 1.00 1.13 C ATOM 203 CG GLU A 17 15.321 11.599 -1.855 1.00 1.71 C ATOM 204 CD GLU A 17 16.307 12.599 -2.461 1.00 2.26 C ATOM 205 OE1 GLU A 17 17.140 12.178 -3.246 1.00 2.68 O ATOM 206 OE2 GLU A 17 16.214 13.770 -2.128 1.00 2.90 O ATOM 0 H GLU A 17 16.749 8.933 0.747 1.00 0.80 H new ATOM 0 HA GLU A 17 14.274 9.976 -0.042 1.00 0.94 H new ATOM 0 HB2 GLU A 17 16.589 11.045 -0.195 1.00 1.13 H new ATOM 0 HB3 GLU A 17 16.865 10.101 -1.646 1.00 1.13 H new ATOM 0 HG2 GLU A 17 14.754 11.107 -2.645 1.00 1.71 H new ATOM 0 HG3 GLU A 17 14.601 12.119 -1.223 1.00 1.71 H new ATOM 213 N GLN A 18 15.317 7.591 -2.027 1.00 0.80 N ATOM 214 CA GLN A 18 14.856 6.724 -3.148 1.00 0.83 C ATOM 215 C GLN A 18 13.576 5.996 -2.721 1.00 0.68 C ATOM 216 O GLN A 18 12.644 5.853 -3.486 1.00 0.69 O ATOM 217 CB GLN A 18 15.945 5.703 -3.486 1.00 0.96 C ATOM 218 CG GLN A 18 17.124 6.424 -4.146 1.00 1.53 C ATOM 219 CD GLN A 18 18.237 5.419 -4.448 1.00 2.23 C ATOM 220 OE1 GLN A 18 19.384 5.648 -4.117 1.00 2.69 O ATOM 221 NE2 GLN A 18 17.947 4.310 -5.070 1.00 3.07 N ATOM 0 H GLN A 18 16.186 7.300 -1.579 1.00 0.80 H new ATOM 0 HA GLN A 18 14.654 7.333 -4.029 1.00 0.83 H new ATOM 0 HB2 GLN A 18 16.276 5.193 -2.581 1.00 0.96 H new ATOM 0 HB3 GLN A 18 15.549 4.939 -4.156 1.00 0.96 H new ATOM 0 HG2 GLN A 18 16.798 6.908 -5.067 1.00 1.53 H new ATOM 0 HG3 GLN A 18 17.498 7.209 -3.488 1.00 1.53 H new ATOM 0 HE21 GLN A 18 16.985 4.118 -5.348 1.00 3.07 H new ATOM 0 HE22 GLN A 18 18.683 3.635 -5.279 1.00 3.07 H new ATOM 230 N ILE A 19 13.529 5.539 -1.496 1.00 0.59 N ATOM 231 CA ILE A 19 12.317 4.822 -0.996 1.00 0.58 C ATOM 232 C ILE A 19 11.138 5.799 -0.916 1.00 0.52 C ATOM 233 O ILE A 19 10.015 5.468 -1.237 1.00 0.59 O ATOM 234 CB ILE A 19 12.609 4.236 0.386 1.00 0.64 C ATOM 235 CG1 ILE A 19 13.879 3.380 0.313 1.00 0.74 C ATOM 236 CG2 ILE A 19 11.433 3.364 0.831 1.00 0.73 C ATOM 237 CD1 ILE A 19 14.267 2.913 1.717 1.00 0.81 C ATOM 0 H ILE A 19 14.283 5.632 -0.816 1.00 0.59 H new ATOM 0 HA ILE A 19 12.060 4.014 -1.681 1.00 0.58 H new ATOM 0 HB ILE A 19 12.751 5.045 1.103 1.00 0.64 H new ATOM 0 HG12 ILE A 19 13.712 2.519 -0.334 1.00 0.74 H new ATOM 0 HG13 ILE A 19 14.693 3.956 -0.127 1.00 0.74 H new ATOM 0 HG21 ILE A 19 11.642 2.947 1.816 1.00 0.73 H new ATOM 0 HG22 ILE A 19 10.528 3.970 0.878 1.00 0.73 H new ATOM 0 HG23 ILE A 19 11.290 2.553 0.116 1.00 0.73 H new ATOM 0 HD11 ILE A 19 15.170 2.305 1.662 1.00 0.81 H new ATOM 0 HD12 ILE A 19 14.452 3.780 2.351 1.00 0.81 H new ATOM 0 HD13 ILE A 19 13.456 2.321 2.140 1.00 0.81 H new ATOM 249 N MET A 20 11.396 7.001 -0.497 1.00 0.51 N ATOM 250 CA MET A 20 10.325 8.034 -0.394 1.00 0.60 C ATOM 251 C MET A 20 9.795 8.428 -1.773 1.00 0.55 C ATOM 252 O MET A 20 8.607 8.564 -1.986 1.00 0.59 O ATOM 253 CB MET A 20 10.939 9.287 0.254 1.00 0.82 C ATOM 254 CG MET A 20 11.269 9.012 1.750 1.00 1.07 C ATOM 255 SD MET A 20 10.779 10.430 2.775 1.00 1.43 S ATOM 256 CE MET A 20 8.983 10.164 2.756 1.00 0.93 C ATOM 0 H MET A 20 12.322 7.322 -0.215 1.00 0.51 H new ATOM 0 HA MET A 20 9.501 7.628 0.194 1.00 0.60 H new ATOM 0 HB2 MET A 20 11.845 9.574 -0.279 1.00 0.82 H new ATOM 0 HB3 MET A 20 10.245 10.123 0.175 1.00 0.82 H new ATOM 0 HG2 MET A 20 10.748 8.115 2.085 1.00 1.07 H new ATOM 0 HG3 MET A 20 12.336 8.823 1.865 1.00 1.07 H new ATOM 0 HE1 MET A 20 8.534 10.650 3.622 1.00 0.93 H new ATOM 0 HE2 MET A 20 8.562 10.587 1.844 1.00 0.93 H new ATOM 0 HE3 MET A 20 8.773 9.095 2.790 1.00 0.93 H new ATOM 266 N LYS A 21 10.688 8.625 -2.712 1.00 0.57 N ATOM 267 CA LYS A 21 10.278 9.031 -4.088 1.00 0.61 C ATOM 268 C LYS A 21 9.576 7.882 -4.816 1.00 0.53 C ATOM 269 O LYS A 21 8.458 8.023 -5.272 1.00 0.51 O ATOM 270 CB LYS A 21 11.523 9.431 -4.888 1.00 0.72 C ATOM 271 CG LYS A 21 11.104 10.139 -6.190 1.00 1.09 C ATOM 272 CD LYS A 21 12.253 10.117 -7.213 1.00 1.24 C ATOM 273 CE LYS A 21 13.324 11.141 -6.824 1.00 1.80 C ATOM 274 NZ LYS A 21 12.755 12.516 -6.912 1.00 2.40 N ATOM 0 H LYS A 21 11.694 8.520 -2.580 1.00 0.57 H new ATOM 0 HA LYS A 21 9.586 9.869 -4.005 1.00 0.61 H new ATOM 0 HB2 LYS A 21 12.153 10.091 -4.291 1.00 0.72 H new ATOM 0 HB3 LYS A 21 12.117 8.547 -5.119 1.00 0.72 H new ATOM 0 HG2 LYS A 21 10.226 9.649 -6.611 1.00 1.09 H new ATOM 0 HG3 LYS A 21 10.821 11.169 -5.975 1.00 1.09 H new ATOM 0 HD2 LYS A 21 12.691 9.120 -7.258 1.00 1.24 H new ATOM 0 HD3 LYS A 21 11.869 10.341 -8.208 1.00 1.24 H new ATOM 0 HE2 LYS A 21 13.677 10.947 -5.811 1.00 1.80 H new ATOM 0 HE3 LYS A 21 14.186 11.050 -7.485 1.00 1.80 H new ATOM 0 HZ1 LYS A 21 13.522 13.200 -7.070 1.00 2.40 H new ATOM 0 HZ2 LYS A 21 12.081 12.563 -7.703 1.00 2.40 H new ATOM 0 HZ3 LYS A 21 12.264 12.746 -6.025 1.00 2.40 H new ATOM 288 N THR A 22 10.201 6.739 -4.922 1.00 0.53 N ATOM 289 CA THR A 22 9.550 5.598 -5.625 1.00 0.52 C ATOM 290 C THR A 22 8.243 5.228 -4.926 1.00 0.45 C ATOM 291 O THR A 22 7.237 4.982 -5.557 1.00 0.48 O ATOM 292 CB THR A 22 10.494 4.391 -5.600 1.00 0.55 C ATOM 293 OG1 THR A 22 11.788 4.794 -6.026 1.00 0.64 O ATOM 294 CG2 THR A 22 9.962 3.305 -6.538 1.00 0.62 C ATOM 0 H THR A 22 11.132 6.548 -4.553 1.00 0.53 H new ATOM 0 HA THR A 22 9.335 5.885 -6.654 1.00 0.52 H new ATOM 0 HB THR A 22 10.552 3.996 -4.586 1.00 0.55 H new ATOM 0 HG1 THR A 22 12.296 5.127 -5.257 1.00 0.64 H new ATOM 0 HG21 THR A 22 10.634 2.447 -6.520 1.00 0.62 H new ATOM 0 HG22 THR A 22 8.969 2.996 -6.210 1.00 0.62 H new ATOM 0 HG23 THR A 22 9.903 3.698 -7.553 1.00 0.62 H new ATOM 302 N GLY A 23 8.251 5.195 -3.625 1.00 0.42 N ATOM 303 CA GLY A 23 7.014 4.842 -2.873 1.00 0.43 C ATOM 304 C GLY A 23 5.867 5.772 -3.272 1.00 0.41 C ATOM 305 O GLY A 23 4.731 5.351 -3.392 1.00 0.47 O ATOM 0 H GLY A 23 9.065 5.398 -3.045 1.00 0.42 H new ATOM 0 HA2 GLY A 23 6.740 3.807 -3.076 1.00 0.43 H new ATOM 0 HA3 GLY A 23 7.197 4.919 -1.801 1.00 0.43 H new ATOM 309 N ALA A 24 6.144 7.026 -3.496 1.00 0.40 N ATOM 310 CA ALA A 24 5.062 7.965 -3.900 1.00 0.41 C ATOM 311 C ALA A 24 4.692 7.739 -5.371 1.00 0.41 C ATOM 312 O ALA A 24 3.656 8.178 -5.828 1.00 0.41 O ATOM 313 CB ALA A 24 5.550 9.405 -3.732 1.00 0.42 C ATOM 0 H ALA A 24 7.072 7.441 -3.417 1.00 0.40 H new ATOM 0 HA ALA A 24 4.188 7.788 -3.273 1.00 0.41 H new ATOM 0 HB1 ALA A 24 4.759 10.094 -4.027 1.00 0.42 H new ATOM 0 HB2 ALA A 24 5.813 9.581 -2.689 1.00 0.42 H new ATOM 0 HB3 ALA A 24 6.426 9.568 -4.360 1.00 0.42 H new ATOM 319 N LEU A 25 5.530 7.061 -6.124 1.00 0.42 N ATOM 320 CA LEU A 25 5.202 6.833 -7.566 1.00 0.44 C ATOM 321 C LEU A 25 4.267 5.620 -7.666 1.00 0.44 C ATOM 322 O LEU A 25 3.229 5.660 -8.294 1.00 0.46 O ATOM 323 CB LEU A 25 6.500 6.583 -8.360 1.00 0.47 C ATOM 324 CG LEU A 25 6.968 7.872 -9.046 1.00 0.77 C ATOM 325 CD1 LEU A 25 7.429 8.883 -7.996 1.00 1.58 C ATOM 326 CD2 LEU A 25 8.130 7.547 -9.984 1.00 1.67 C ATOM 0 H LEU A 25 6.413 6.662 -5.806 1.00 0.42 H new ATOM 0 HA LEU A 25 4.707 7.709 -7.986 1.00 0.44 H new ATOM 0 HB2 LEU A 25 7.278 6.218 -7.690 1.00 0.47 H new ATOM 0 HB3 LEU A 25 6.332 5.807 -9.107 1.00 0.47 H new ATOM 0 HG LEU A 25 6.142 8.300 -9.614 1.00 0.77 H new ATOM 0 HD11 LEU A 25 7.760 9.796 -8.491 1.00 1.58 H new ATOM 0 HD12 LEU A 25 6.602 9.113 -7.325 1.00 1.58 H new ATOM 0 HD13 LEU A 25 8.255 8.461 -7.423 1.00 1.58 H new ATOM 0 HD21 LEU A 25 8.467 8.460 -10.475 1.00 1.67 H new ATOM 0 HD22 LEU A 25 8.952 7.118 -9.410 1.00 1.67 H new ATOM 0 HD23 LEU A 25 7.801 6.831 -10.737 1.00 1.67 H new ATOM 338 N LEU A 26 4.663 4.524 -7.077 1.00 0.45 N ATOM 339 CA LEU A 26 3.840 3.288 -7.151 1.00 0.47 C ATOM 340 C LEU A 26 2.405 3.574 -6.711 1.00 0.49 C ATOM 341 O LEU A 26 1.461 3.173 -7.363 1.00 0.52 O ATOM 342 CB LEU A 26 4.450 2.215 -6.236 1.00 0.51 C ATOM 343 CG LEU A 26 5.938 2.022 -6.568 1.00 0.69 C ATOM 344 CD1 LEU A 26 6.532 0.945 -5.657 1.00 1.17 C ATOM 345 CD2 LEU A 26 6.101 1.616 -8.043 1.00 1.35 C ATOM 0 H LEU A 26 5.528 4.434 -6.544 1.00 0.45 H new ATOM 0 HA LEU A 26 3.827 2.934 -8.182 1.00 0.47 H new ATOM 0 HB2 LEU A 26 4.337 2.509 -5.192 1.00 0.51 H new ATOM 0 HB3 LEU A 26 3.916 1.273 -6.361 1.00 0.51 H new ATOM 0 HG LEU A 26 6.467 2.961 -6.404 1.00 0.69 H new ATOM 0 HD11 LEU A 26 7.587 0.810 -5.894 1.00 1.17 H new ATOM 0 HD12 LEU A 26 6.430 1.252 -4.616 1.00 1.17 H new ATOM 0 HD13 LEU A 26 6.002 0.005 -5.811 1.00 1.17 H new ATOM 0 HD21 LEU A 26 7.159 1.482 -8.269 1.00 1.35 H new ATOM 0 HD22 LEU A 26 5.570 0.682 -8.224 1.00 1.35 H new ATOM 0 HD23 LEU A 26 5.690 2.397 -8.683 1.00 1.35 H new ATOM 357 N LEU A 27 2.219 4.216 -5.584 1.00 0.50 N ATOM 358 CA LEU A 27 0.822 4.453 -5.110 1.00 0.56 C ATOM 359 C LEU A 27 0.124 5.479 -6.014 1.00 0.56 C ATOM 360 O LEU A 27 -0.925 5.205 -6.564 1.00 0.60 O ATOM 361 CB LEU A 27 0.841 4.919 -3.647 1.00 0.64 C ATOM 362 CG LEU A 27 -0.553 5.366 -3.189 1.00 0.95 C ATOM 363 CD1 LEU A 27 -1.528 4.189 -3.269 1.00 1.66 C ATOM 364 CD2 LEU A 27 -0.461 5.858 -1.743 1.00 1.42 C ATOM 0 H LEU A 27 2.958 4.580 -4.983 1.00 0.50 H new ATOM 0 HA LEU A 27 0.258 3.522 -5.163 1.00 0.56 H new ATOM 0 HB2 LEU A 27 1.194 4.109 -3.009 1.00 0.64 H new ATOM 0 HB3 LEU A 27 1.545 5.743 -3.534 1.00 0.64 H new ATOM 0 HG LEU A 27 -0.913 6.168 -3.834 1.00 0.95 H new ATOM 0 HD11 LEU A 27 -2.516 4.512 -2.942 1.00 1.66 H new ATOM 0 HD12 LEU A 27 -1.584 3.832 -4.297 1.00 1.66 H new ATOM 0 HD13 LEU A 27 -1.179 3.383 -2.624 1.00 1.66 H new ATOM 0 HD21 LEU A 27 -1.446 6.179 -1.405 1.00 1.42 H new ATOM 0 HD22 LEU A 27 -0.104 5.049 -1.105 1.00 1.42 H new ATOM 0 HD23 LEU A 27 0.233 6.697 -1.688 1.00 1.42 H new ATOM 376 N GLN A 28 0.669 6.654 -6.174 1.00 0.55 N ATOM 377 CA GLN A 28 -0.015 7.655 -7.045 1.00 0.58 C ATOM 378 C GLN A 28 -0.239 7.034 -8.431 1.00 0.54 C ATOM 379 O GLN A 28 -1.152 7.392 -9.149 1.00 0.58 O ATOM 380 CB GLN A 28 0.844 8.932 -7.147 1.00 0.60 C ATOM 381 CG GLN A 28 1.939 8.768 -8.206 1.00 1.00 C ATOM 382 CD GLN A 28 2.966 9.900 -8.082 1.00 1.40 C ATOM 383 OE1 GLN A 28 3.222 10.420 -6.912 1.00 2.09 O flip ATOM 384 NE2 GLN A 28 3.543 10.316 -9.067 1.00 1.91 N flip ATOM 0 H GLN A 28 1.543 6.962 -5.748 1.00 0.55 H new ATOM 0 HA GLN A 28 -0.979 7.929 -6.617 1.00 0.58 H new ATOM 0 HB2 GLN A 28 0.211 9.782 -7.401 1.00 0.60 H new ATOM 0 HB3 GLN A 28 1.297 9.149 -6.180 1.00 0.60 H new ATOM 0 HG2 GLN A 28 2.432 7.804 -8.084 1.00 1.00 H new ATOM 0 HG3 GLN A 28 1.496 8.776 -9.202 1.00 1.00 H new ATOM 0 HE21 GLN A 28 3.345 9.912 -9.982 1.00 1.91 H new ATOM 0 HE22 GLN A 28 4.225 11.069 -8.978 1.00 1.91 H new ATOM 393 N GLY A 29 0.615 6.120 -8.812 1.00 0.50 N ATOM 394 CA GLY A 29 0.490 5.478 -10.152 1.00 0.48 C ATOM 395 C GLY A 29 -0.725 4.549 -10.182 1.00 0.44 C ATOM 396 O GLY A 29 -1.646 4.746 -10.950 1.00 0.50 O ATOM 0 H GLY A 29 1.398 5.790 -8.248 1.00 0.50 H new ATOM 0 HA2 GLY A 29 0.391 6.243 -10.922 1.00 0.48 H new ATOM 0 HA3 GLY A 29 1.394 4.913 -10.378 1.00 0.48 H new ATOM 400 N PHE A 30 -0.735 3.532 -9.363 1.00 0.44 N ATOM 401 CA PHE A 30 -1.893 2.593 -9.363 1.00 0.43 C ATOM 402 C PHE A 30 -3.193 3.390 -9.257 1.00 0.40 C ATOM 403 O PHE A 30 -4.233 2.946 -9.708 1.00 0.43 O ATOM 404 CB PHE A 30 -1.779 1.626 -8.175 1.00 0.47 C ATOM 405 CG PHE A 30 -3.070 0.846 -8.022 1.00 0.47 C ATOM 406 CD1 PHE A 30 -3.449 -0.076 -9.005 1.00 1.39 C ATOM 407 CD2 PHE A 30 -3.889 1.048 -6.901 1.00 1.20 C ATOM 408 CE1 PHE A 30 -4.642 -0.795 -8.870 1.00 1.42 C ATOM 409 CE2 PHE A 30 -5.083 0.328 -6.767 1.00 1.21 C ATOM 410 CZ PHE A 30 -5.459 -0.593 -7.751 1.00 0.58 C ATOM 0 H PHE A 30 0.005 3.312 -8.697 1.00 0.44 H new ATOM 0 HA PHE A 30 -1.894 2.019 -10.290 1.00 0.43 H new ATOM 0 HB2 PHE A 30 -0.946 0.941 -8.331 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -1.568 2.181 -7.261 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -2.820 -0.233 -9.869 1.00 1.39 H new ATOM 0 HD2 PHE A 30 -3.599 1.759 -6.141 1.00 1.20 H new ATOM 0 HE1 PHE A 30 -4.933 -1.506 -9.629 1.00 1.42 H new ATOM 0 HE2 PHE A 30 -5.713 0.484 -5.904 1.00 1.21 H new ATOM 0 HZ PHE A 30 -6.380 -1.148 -7.647 1.00 0.58 H new ATOM 420 N ILE A 31 -3.163 4.567 -8.685 1.00 0.40 N ATOM 421 CA ILE A 31 -4.415 5.367 -8.584 1.00 0.40 C ATOM 422 C ILE A 31 -4.643 6.093 -9.915 1.00 0.40 C ATOM 423 O ILE A 31 -5.641 5.894 -10.578 1.00 0.43 O ATOM 424 CB ILE A 31 -4.277 6.390 -7.448 1.00 0.41 C ATOM 425 CG1 ILE A 31 -4.129 5.654 -6.112 1.00 0.53 C ATOM 426 CG2 ILE A 31 -5.521 7.279 -7.419 1.00 0.72 C ATOM 427 CD1 ILE A 31 -3.671 6.636 -5.030 1.00 0.48 C ATOM 0 H ILE A 31 -2.331 5.004 -8.287 1.00 0.40 H new ATOM 0 HA ILE A 31 -5.262 4.714 -8.372 1.00 0.40 H new ATOM 0 HB ILE A 31 -3.395 7.008 -7.613 1.00 0.41 H new ATOM 0 HG12 ILE A 31 -5.079 5.202 -5.828 1.00 0.53 H new ATOM 0 HG13 ILE A 31 -3.407 4.843 -6.210 1.00 0.53 H new ATOM 0 HG21 ILE A 31 -5.429 8.008 -6.614 1.00 0.72 H new ATOM 0 HG22 ILE A 31 -5.618 7.801 -8.371 1.00 0.72 H new ATOM 0 HG23 ILE A 31 -6.405 6.663 -7.251 1.00 0.72 H new ATOM 0 HD11 ILE A 31 -3.567 6.109 -4.081 1.00 0.48 H new ATOM 0 HD12 ILE A 31 -2.711 7.067 -5.313 1.00 0.48 H new ATOM 0 HD13 ILE A 31 -4.409 7.431 -4.924 1.00 0.48 H new ATOM 439 N GLN A 32 -3.722 6.932 -10.309 1.00 0.42 N ATOM 440 CA GLN A 32 -3.874 7.671 -11.597 1.00 0.47 C ATOM 441 C GLN A 32 -4.291 6.706 -12.713 1.00 0.50 C ATOM 442 O GLN A 32 -4.990 7.076 -13.634 1.00 0.61 O ATOM 443 CB GLN A 32 -2.545 8.335 -11.963 1.00 0.57 C ATOM 444 CG GLN A 32 -2.759 9.314 -13.120 1.00 1.19 C ATOM 445 CD GLN A 32 -1.408 9.869 -13.576 1.00 1.59 C ATOM 446 OE1 GLN A 32 -0.628 9.170 -14.190 1.00 2.16 O ATOM 447 NE2 GLN A 32 -1.097 11.106 -13.299 1.00 2.21 N ATOM 0 H GLN A 32 -2.867 7.138 -9.792 1.00 0.42 H new ATOM 0 HA GLN A 32 -4.645 8.433 -11.482 1.00 0.47 H new ATOM 0 HB2 GLN A 32 -2.140 8.861 -11.099 1.00 0.57 H new ATOM 0 HB3 GLN A 32 -1.814 7.577 -12.246 1.00 0.57 H new ATOM 0 HG2 GLN A 32 -3.256 8.810 -13.949 1.00 1.19 H new ATOM 0 HG3 GLN A 32 -3.411 10.129 -12.805 1.00 1.19 H new ATOM 0 HE21 GLN A 32 -1.752 11.693 -12.783 1.00 2.21 H new ATOM 0 HE22 GLN A 32 -0.199 11.485 -13.598 1.00 2.21 H new ATOM 456 N ASP A 33 -3.873 5.472 -12.637 1.00 0.49 N ATOM 457 CA ASP A 33 -4.257 4.496 -13.697 1.00 0.58 C ATOM 458 C ASP A 33 -5.726 4.110 -13.507 1.00 0.61 C ATOM 459 O ASP A 33 -6.464 3.944 -14.458 1.00 0.70 O ATOM 460 CB ASP A 33 -3.377 3.248 -13.599 1.00 0.61 C ATOM 461 CG ASP A 33 -1.905 3.650 -13.705 1.00 1.10 C ATOM 462 OD1 ASP A 33 -1.639 4.723 -14.220 1.00 1.89 O ATOM 463 OD2 ASP A 33 -1.068 2.877 -13.269 1.00 1.78 O ATOM 0 H ASP A 33 -3.286 5.099 -11.891 1.00 0.49 H new ATOM 0 HA ASP A 33 -4.118 4.948 -14.679 1.00 0.58 H new ATOM 0 HB2 ASP A 33 -3.558 2.736 -12.654 1.00 0.61 H new ATOM 0 HB3 ASP A 33 -3.632 2.548 -14.394 1.00 0.61 H new ATOM 468 N ARG A 34 -6.154 3.970 -12.282 1.00 0.58 N ATOM 469 CA ARG A 34 -7.574 3.599 -12.016 1.00 0.71 C ATOM 470 C ARG A 34 -8.446 4.860 -12.015 1.00 0.65 C ATOM 471 O ARG A 34 -9.657 4.783 -11.952 1.00 0.85 O ATOM 472 CB ARG A 34 -7.671 2.906 -10.648 1.00 0.85 C ATOM 473 CG ARG A 34 -7.197 1.444 -10.757 1.00 1.25 C ATOM 474 CD ARG A 34 -8.359 0.535 -11.187 1.00 1.31 C ATOM 475 NE ARG A 34 -7.812 -0.702 -11.812 1.00 1.58 N ATOM 476 CZ ARG A 34 -8.584 -1.738 -11.999 1.00 2.09 C ATOM 477 NH1 ARG A 34 -9.838 -1.692 -11.637 1.00 2.58 N ATOM 478 NH2 ARG A 34 -8.103 -2.819 -12.548 1.00 2.75 N ATOM 0 H ARG A 34 -5.579 4.097 -11.450 1.00 0.58 H new ATOM 0 HA ARG A 34 -7.924 2.921 -12.795 1.00 0.71 H new ATOM 0 HB2 ARG A 34 -7.062 3.440 -9.918 1.00 0.85 H new ATOM 0 HB3 ARG A 34 -8.700 2.937 -10.289 1.00 0.85 H new ATOM 0 HG2 ARG A 34 -6.384 1.372 -11.479 1.00 1.25 H new ATOM 0 HG3 ARG A 34 -6.802 1.111 -9.797 1.00 1.25 H new ATOM 0 HD2 ARG A 34 -8.974 0.279 -10.324 1.00 1.31 H new ATOM 0 HD3 ARG A 34 -9.003 1.059 -11.893 1.00 1.31 H new ATOM 0 HE ARG A 34 -6.833 -0.739 -12.094 1.00 1.58 H new ATOM 0 HH11 ARG A 34 -10.214 -0.847 -11.208 1.00 2.58 H new ATOM 0 HH12 ARG A 34 -10.441 -2.502 -11.783 1.00 2.58 H new ATOM 0 HH21 ARG A 34 -7.124 -2.855 -12.831 1.00 2.75 H new ATOM 0 HH22 ARG A 34 -8.706 -3.629 -12.694 1.00 2.75 H new ATOM 492 N ALA A 35 -7.848 6.021 -12.097 1.00 0.59 N ATOM 493 CA ALA A 35 -8.659 7.278 -12.110 1.00 0.66 C ATOM 494 C ALA A 35 -9.053 7.616 -13.552 1.00 0.80 C ATOM 495 O ALA A 35 -10.205 7.854 -13.850 1.00 0.88 O ATOM 496 CB ALA A 35 -7.833 8.425 -11.523 1.00 0.94 C ATOM 0 H ALA A 35 -6.838 6.154 -12.155 1.00 0.59 H new ATOM 0 HA ALA A 35 -9.559 7.136 -11.511 1.00 0.66 H new ATOM 0 HB1 ALA A 35 -8.424 9.341 -11.532 1.00 0.94 H new ATOM 0 HB2 ALA A 35 -7.553 8.184 -10.497 1.00 0.94 H new ATOM 0 HB3 ALA A 35 -6.933 8.568 -12.121 1.00 0.94 H new ATOM 751 N ALA A 54 11.246 2.296 -16.698 1.00 0.91 N ATOM 752 CA ALA A 54 11.028 0.852 -16.998 1.00 0.84 C ATOM 753 C ALA A 54 10.888 0.060 -15.695 1.00 0.76 C ATOM 754 O ALA A 54 10.284 -0.994 -15.663 1.00 0.75 O ATOM 755 CB ALA A 54 12.229 0.316 -17.781 1.00 0.95 C ATOM 0 HA ALA A 54 10.116 0.742 -17.585 1.00 0.84 H new ATOM 0 HB1 ALA A 54 12.076 -0.740 -18.004 1.00 0.95 H new ATOM 0 HB2 ALA A 54 12.333 0.872 -18.713 1.00 0.95 H new ATOM 0 HB3 ALA A 54 13.134 0.434 -17.185 1.00 0.95 H new ATOM 761 N SER A 55 11.446 0.550 -14.621 1.00 0.75 N ATOM 762 CA SER A 55 11.346 -0.192 -13.331 1.00 0.71 C ATOM 763 C SER A 55 9.938 -0.033 -12.747 1.00 0.66 C ATOM 764 O SER A 55 9.320 -0.991 -12.324 1.00 0.66 O ATOM 765 CB SER A 55 12.386 0.352 -12.344 1.00 0.76 C ATOM 766 OG SER A 55 12.779 -0.689 -11.458 1.00 1.37 O ATOM 0 H SER A 55 11.964 1.428 -14.580 1.00 0.75 H new ATOM 0 HA SER A 55 11.538 -1.250 -13.508 1.00 0.71 H new ATOM 0 HB2 SER A 55 13.253 0.733 -12.884 1.00 0.76 H new ATOM 0 HB3 SER A 55 11.969 1.187 -11.781 1.00 0.76 H new ATOM 0 HG SER A 55 13.445 -0.347 -10.826 1.00 1.37 H new ATOM 772 N THR A 56 9.434 1.169 -12.706 1.00 0.65 N ATOM 773 CA THR A 56 8.077 1.385 -12.130 1.00 0.62 C ATOM 774 C THR A 56 7.008 0.951 -13.136 1.00 0.59 C ATOM 775 O THR A 56 5.918 0.562 -12.765 1.00 0.57 O ATOM 776 CB THR A 56 7.882 2.872 -11.818 1.00 0.67 C ATOM 777 OG1 THR A 56 8.378 3.648 -12.900 1.00 1.09 O ATOM 778 CG2 THR A 56 8.623 3.257 -10.538 1.00 1.06 C ATOM 0 H THR A 56 9.902 2.009 -13.046 1.00 0.65 H new ATOM 0 HA THR A 56 7.985 0.796 -11.217 1.00 0.62 H new ATOM 0 HB THR A 56 6.818 3.063 -11.677 1.00 0.67 H new ATOM 0 HG1 THR A 56 8.253 4.600 -12.704 1.00 1.09 H new ATOM 0 HG21 THR A 56 8.471 4.317 -10.335 1.00 1.06 H new ATOM 0 HG22 THR A 56 8.239 2.669 -9.704 1.00 1.06 H new ATOM 0 HG23 THR A 56 9.688 3.060 -10.661 1.00 1.06 H new ATOM 786 N LYS A 57 7.296 1.037 -14.406 1.00 0.61 N ATOM 787 CA LYS A 57 6.272 0.653 -15.417 1.00 0.59 C ATOM 788 C LYS A 57 5.933 -0.832 -15.263 1.00 0.54 C ATOM 789 O LYS A 57 4.778 -1.218 -15.245 1.00 0.52 O ATOM 790 CB LYS A 57 6.809 0.939 -16.823 1.00 0.65 C ATOM 791 CG LYS A 57 5.805 0.456 -17.876 1.00 1.20 C ATOM 792 CD LYS A 57 6.120 1.106 -19.228 1.00 1.33 C ATOM 793 CE LYS A 57 7.550 0.758 -19.653 1.00 1.94 C ATOM 794 NZ LYS A 57 7.734 1.091 -21.095 1.00 2.73 N ATOM 0 H LYS A 57 8.189 1.354 -14.785 1.00 0.61 H new ATOM 0 HA LYS A 57 5.365 1.237 -15.263 1.00 0.59 H new ATOM 0 HB2 LYS A 57 6.988 2.008 -16.942 1.00 0.65 H new ATOM 0 HB3 LYS A 57 7.766 0.438 -16.965 1.00 0.65 H new ATOM 0 HG2 LYS A 57 5.850 -0.629 -17.964 1.00 1.20 H new ATOM 0 HG3 LYS A 57 4.790 0.709 -17.568 1.00 1.20 H new ATOM 0 HD2 LYS A 57 5.413 0.759 -19.982 1.00 1.33 H new ATOM 0 HD3 LYS A 57 6.005 2.188 -19.157 1.00 1.33 H new ATOM 0 HE2 LYS A 57 8.266 1.312 -19.046 1.00 1.94 H new ATOM 0 HE3 LYS A 57 7.743 -0.302 -19.486 1.00 1.94 H new ATOM 0 HZ1 LYS A 57 8.705 0.855 -21.385 1.00 2.73 H new ATOM 0 HZ2 LYS A 57 7.059 0.543 -21.667 1.00 2.73 H new ATOM 0 HZ3 LYS A 57 7.567 2.107 -21.241 1.00 2.73 H new ATOM 808 N LYS A 58 6.923 -1.674 -15.141 1.00 0.55 N ATOM 809 CA LYS A 58 6.635 -3.126 -14.981 1.00 0.53 C ATOM 810 C LYS A 58 5.991 -3.349 -13.610 1.00 0.48 C ATOM 811 O LYS A 58 5.014 -4.065 -13.482 1.00 0.46 O ATOM 812 CB LYS A 58 7.949 -3.922 -15.092 1.00 0.56 C ATOM 813 CG LYS A 58 7.667 -5.425 -15.349 1.00 0.78 C ATOM 814 CD LYS A 58 7.639 -6.207 -14.020 1.00 0.96 C ATOM 815 CE LYS A 58 6.780 -7.465 -14.177 1.00 0.85 C ATOM 816 NZ LYS A 58 5.361 -7.069 -14.400 1.00 1.75 N ATOM 0 H LYS A 58 7.911 -1.421 -15.145 1.00 0.55 H new ATOM 0 HA LYS A 58 5.954 -3.467 -15.761 1.00 0.53 H new ATOM 0 HB2 LYS A 58 8.556 -3.518 -15.902 1.00 0.56 H new ATOM 0 HB3 LYS A 58 8.526 -3.808 -14.174 1.00 0.56 H new ATOM 0 HG2 LYS A 58 6.713 -5.539 -15.864 1.00 0.78 H new ATOM 0 HG3 LYS A 58 8.434 -5.838 -16.004 1.00 0.78 H new ATOM 0 HD2 LYS A 58 8.652 -6.482 -13.728 1.00 0.96 H new ATOM 0 HD3 LYS A 58 7.237 -5.578 -13.226 1.00 0.96 H new ATOM 0 HE2 LYS A 58 7.139 -8.062 -15.016 1.00 0.85 H new ATOM 0 HE3 LYS A 58 6.860 -8.087 -13.286 1.00 0.85 H new ATOM 0 HZ1 LYS A 58 4.793 -7.329 -13.568 1.00 1.75 H new ATOM 0 HZ2 LYS A 58 5.307 -6.041 -14.549 1.00 1.75 H new ATOM 0 HZ3 LYS A 58 4.991 -7.560 -15.239 1.00 1.75 H new ATOM 830 N LEU A 59 6.533 -2.761 -12.580 1.00 0.50 N ATOM 831 CA LEU A 59 5.948 -2.965 -11.224 1.00 0.47 C ATOM 832 C LEU A 59 4.488 -2.488 -11.234 1.00 0.43 C ATOM 833 O LEU A 59 3.668 -2.929 -10.453 1.00 0.42 O ATOM 834 CB LEU A 59 6.768 -2.159 -10.186 1.00 0.53 C ATOM 835 CG LEU A 59 7.440 -3.083 -9.158 1.00 0.71 C ATOM 836 CD1 LEU A 59 8.473 -2.273 -8.371 1.00 1.07 C ATOM 837 CD2 LEU A 59 6.387 -3.615 -8.179 1.00 1.34 C ATOM 0 H LEU A 59 7.350 -2.152 -12.617 1.00 0.50 H new ATOM 0 HA LEU A 59 5.979 -4.021 -10.956 1.00 0.47 H new ATOM 0 HB2 LEU A 59 7.528 -1.570 -10.699 1.00 0.53 H new ATOM 0 HB3 LEU A 59 6.114 -1.455 -9.671 1.00 0.53 H new ATOM 0 HG LEU A 59 7.918 -3.916 -9.673 1.00 0.71 H new ATOM 0 HD11 LEU A 59 8.958 -2.917 -7.637 1.00 1.07 H new ATOM 0 HD12 LEU A 59 9.222 -1.875 -9.056 1.00 1.07 H new ATOM 0 HD13 LEU A 59 7.976 -1.449 -7.859 1.00 1.07 H new ATOM 0 HD21 LEU A 59 6.865 -4.270 -7.451 1.00 1.34 H new ATOM 0 HD22 LEU A 59 5.916 -2.779 -7.661 1.00 1.34 H new ATOM 0 HD23 LEU A 59 5.630 -4.175 -8.728 1.00 1.34 H new ATOM 849 N SER A 60 4.160 -1.617 -12.147 1.00 0.43 N ATOM 850 CA SER A 60 2.756 -1.130 -12.247 1.00 0.42 C ATOM 851 C SER A 60 1.887 -2.262 -12.802 1.00 0.39 C ATOM 852 O SER A 60 0.737 -2.411 -12.437 1.00 0.41 O ATOM 853 CB SER A 60 2.700 0.061 -13.204 1.00 0.47 C ATOM 854 OG SER A 60 1.430 0.690 -13.092 1.00 1.36 O ATOM 0 H SER A 60 4.805 -1.220 -12.830 1.00 0.43 H new ATOM 0 HA SER A 60 2.395 -0.824 -11.265 1.00 0.42 H new ATOM 0 HB2 SER A 60 3.493 0.771 -12.968 1.00 0.47 H new ATOM 0 HB3 SER A 60 2.865 -0.272 -14.229 1.00 0.47 H new ATOM 0 HG SER A 60 1.389 1.456 -13.703 1.00 1.36 H new ATOM 860 N GLU A 61 2.433 -3.065 -13.675 1.00 0.38 N ATOM 861 CA GLU A 61 1.638 -4.192 -14.249 1.00 0.38 C ATOM 862 C GLU A 61 1.305 -5.199 -13.142 1.00 0.38 C ATOM 863 O GLU A 61 0.264 -5.829 -13.166 1.00 0.41 O ATOM 864 CB GLU A 61 2.434 -4.871 -15.369 1.00 0.39 C ATOM 865 CG GLU A 61 1.745 -6.168 -15.799 1.00 1.06 C ATOM 866 CD GLU A 61 2.368 -6.668 -17.103 1.00 1.67 C ATOM 867 OE1 GLU A 61 1.954 -6.202 -18.152 1.00 2.40 O ATOM 868 OE2 GLU A 61 3.250 -7.508 -17.031 1.00 2.25 O ATOM 0 H GLU A 61 3.392 -2.991 -14.015 1.00 0.38 H new ATOM 0 HA GLU A 61 0.708 -3.807 -14.668 1.00 0.38 H new ATOM 0 HB2 GLU A 61 2.522 -4.198 -16.222 1.00 0.39 H new ATOM 0 HB3 GLU A 61 3.446 -5.085 -15.027 1.00 0.39 H new ATOM 0 HG2 GLU A 61 1.850 -6.923 -15.020 1.00 1.06 H new ATOM 0 HG3 GLU A 61 0.677 -5.997 -15.936 1.00 1.06 H new ATOM 875 N CYS A 62 2.145 -5.337 -12.157 1.00 0.37 N ATOM 876 CA CYS A 62 1.827 -6.286 -11.047 1.00 0.39 C ATOM 877 C CYS A 62 0.616 -5.752 -10.272 1.00 0.38 C ATOM 878 O CYS A 62 -0.290 -6.486 -9.930 1.00 0.44 O ATOM 879 CB CYS A 62 3.030 -6.396 -10.109 1.00 0.41 C ATOM 880 SG CYS A 62 4.452 -7.037 -11.028 1.00 1.62 S ATOM 0 H CYS A 62 3.032 -4.840 -12.069 1.00 0.37 H new ATOM 0 HA CYS A 62 1.600 -7.272 -11.454 1.00 0.39 H new ATOM 0 HB2 CYS A 62 3.266 -5.419 -9.687 1.00 0.41 H new ATOM 0 HB3 CYS A 62 2.795 -7.056 -9.274 1.00 0.41 H new ATOM 0 HG CYS A 62 5.477 -7.129 -10.233 1.00 1.62 H new ATOM 886 N LEU A 63 0.587 -4.476 -10.018 1.00 0.35 N ATOM 887 CA LEU A 63 -0.569 -3.862 -9.295 1.00 0.36 C ATOM 888 C LEU A 63 -1.818 -3.888 -10.188 1.00 0.36 C ATOM 889 O LEU A 63 -2.927 -4.007 -9.707 1.00 0.41 O ATOM 890 CB LEU A 63 -0.209 -2.411 -8.947 1.00 0.38 C ATOM 891 CG LEU A 63 0.881 -2.395 -7.849 1.00 0.69 C ATOM 892 CD1 LEU A 63 1.674 -1.087 -7.922 1.00 1.39 C ATOM 893 CD2 LEU A 63 0.237 -2.504 -6.458 1.00 1.11 C ATOM 0 H LEU A 63 1.322 -3.820 -10.282 1.00 0.35 H new ATOM 0 HA LEU A 63 -0.780 -4.424 -8.385 1.00 0.36 H new ATOM 0 HB2 LEU A 63 0.149 -1.891 -9.836 1.00 0.38 H new ATOM 0 HB3 LEU A 63 -1.095 -1.879 -8.601 1.00 0.38 H new ATOM 0 HG LEU A 63 1.546 -3.243 -8.011 1.00 0.69 H new ATOM 0 HD11 LEU A 63 2.440 -1.082 -7.146 1.00 1.39 H new ATOM 0 HD12 LEU A 63 2.148 -1.003 -8.900 1.00 1.39 H new ATOM 0 HD13 LEU A 63 1.000 -0.244 -7.772 1.00 1.39 H new ATOM 0 HD21 LEU A 63 1.015 -2.492 -5.695 1.00 1.11 H new ATOM 0 HD22 LEU A 63 -0.437 -1.662 -6.302 1.00 1.11 H new ATOM 0 HD23 LEU A 63 -0.324 -3.436 -6.389 1.00 1.11 H new ATOM 905 N LYS A 64 -1.650 -3.766 -11.473 1.00 0.35 N ATOM 906 CA LYS A 64 -2.834 -3.775 -12.388 1.00 0.37 C ATOM 907 C LYS A 64 -3.313 -5.211 -12.630 1.00 0.39 C ATOM 908 O LYS A 64 -4.497 -5.484 -12.635 1.00 0.43 O ATOM 909 CB LYS A 64 -2.456 -3.146 -13.728 1.00 0.38 C ATOM 910 CG LYS A 64 -2.255 -1.636 -13.551 1.00 0.82 C ATOM 911 CD LYS A 64 -1.985 -0.974 -14.914 1.00 1.35 C ATOM 912 CE LYS A 64 -3.302 -0.745 -15.669 1.00 1.38 C ATOM 913 NZ LYS A 64 -3.038 0.072 -16.887 1.00 2.09 N ATOM 0 H LYS A 64 -0.746 -3.660 -11.934 1.00 0.35 H new ATOM 0 HA LYS A 64 -3.635 -3.202 -11.921 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.543 -3.602 -14.110 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -3.238 -3.335 -14.463 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.140 -1.195 -13.093 1.00 0.82 H new ATOM 0 HG3 LYS A 64 -1.420 -1.449 -12.876 1.00 0.82 H new ATOM 0 HD2 LYS A 64 -1.472 -0.023 -14.768 1.00 1.35 H new ATOM 0 HD3 LYS A 64 -1.324 -1.605 -15.507 1.00 1.35 H new ATOM 0 HE2 LYS A 64 -3.745 -1.701 -15.948 1.00 1.38 H new ATOM 0 HE3 LYS A 64 -4.020 -0.237 -15.025 1.00 1.38 H new ATOM 0 HZ1 LYS A 64 -3.929 0.228 -17.400 1.00 2.09 H new ATOM 0 HZ2 LYS A 64 -2.633 0.989 -16.609 1.00 2.09 H new ATOM 0 HZ3 LYS A 64 -2.367 -0.430 -17.503 1.00 2.09 H new ATOM 927 N ARG A 65 -2.412 -6.130 -12.843 1.00 0.43 N ATOM 928 CA ARG A 65 -2.834 -7.539 -13.099 1.00 0.47 C ATOM 929 C ARG A 65 -3.573 -8.098 -11.879 1.00 0.50 C ATOM 930 O ARG A 65 -4.593 -8.747 -12.002 1.00 0.54 O ATOM 931 CB ARG A 65 -1.595 -8.394 -13.390 1.00 0.45 C ATOM 932 CG ARG A 65 -2.010 -9.668 -14.138 1.00 0.94 C ATOM 933 CD ARG A 65 -0.798 -10.609 -14.305 1.00 1.55 C ATOM 934 NE ARG A 65 -0.792 -11.193 -15.684 1.00 1.86 N ATOM 935 CZ ARG A 65 -1.878 -11.697 -16.213 1.00 2.39 C ATOM 936 NH1 ARG A 65 -2.973 -11.797 -15.512 1.00 2.94 N ATOM 937 NH2 ARG A 65 -1.855 -12.134 -17.443 1.00 2.92 N ATOM 0 H ARG A 65 -1.405 -5.969 -12.851 1.00 0.43 H new ATOM 0 HA ARG A 65 -3.505 -7.562 -13.957 1.00 0.47 H new ATOM 0 HB2 ARG A 65 -0.881 -7.826 -13.987 1.00 0.45 H new ATOM 0 HB3 ARG A 65 -1.094 -8.655 -12.458 1.00 0.45 H new ATOM 0 HG2 ARG A 65 -2.802 -10.178 -13.590 1.00 0.94 H new ATOM 0 HG3 ARG A 65 -2.415 -9.408 -15.116 1.00 0.94 H new ATOM 0 HD2 ARG A 65 0.127 -10.060 -14.129 1.00 1.55 H new ATOM 0 HD3 ARG A 65 -0.841 -11.406 -13.563 1.00 1.55 H new ATOM 0 HE ARG A 65 0.075 -11.198 -16.221 1.00 1.86 H new ATOM 0 HH11 ARG A 65 -2.988 -11.481 -14.542 1.00 2.94 H new ATOM 0 HH12 ARG A 65 -3.814 -12.191 -15.933 1.00 2.94 H new ATOM 0 HH21 ARG A 65 -0.994 -12.082 -17.987 1.00 2.92 H new ATOM 0 HH22 ARG A 65 -2.698 -12.528 -17.860 1.00 2.92 H new ATOM 951 N ILE A 66 -3.082 -7.827 -10.702 1.00 0.49 N ATOM 952 CA ILE A 66 -3.763 -8.317 -9.469 1.00 0.53 C ATOM 953 C ILE A 66 -4.950 -7.396 -9.170 1.00 0.54 C ATOM 954 O ILE A 66 -5.932 -7.798 -8.579 1.00 0.60 O ATOM 955 CB ILE A 66 -2.758 -8.293 -8.307 1.00 0.52 C ATOM 956 CG1 ILE A 66 -1.773 -9.457 -8.465 1.00 1.22 C ATOM 957 CG2 ILE A 66 -3.489 -8.413 -6.964 1.00 1.29 C ATOM 958 CD1 ILE A 66 -0.563 -9.232 -7.557 1.00 1.25 C ATOM 0 H ILE A 66 -2.234 -7.284 -10.539 1.00 0.49 H new ATOM 0 HA ILE A 66 -4.125 -9.336 -9.603 1.00 0.53 H new ATOM 0 HB ILE A 66 -2.217 -7.347 -8.325 1.00 0.52 H new ATOM 0 HG12 ILE A 66 -2.262 -10.397 -8.210 1.00 1.22 H new ATOM 0 HG13 ILE A 66 -1.451 -9.536 -9.503 1.00 1.22 H new ATOM 0 HG21 ILE A 66 -2.763 -8.394 -6.151 1.00 1.29 H new ATOM 0 HG22 ILE A 66 -4.181 -7.579 -6.851 1.00 1.29 H new ATOM 0 HG23 ILE A 66 -4.043 -9.351 -6.934 1.00 1.29 H new ATOM 0 HD11 ILE A 66 0.136 -10.060 -7.671 1.00 1.25 H new ATOM 0 HD12 ILE A 66 -0.069 -8.300 -7.833 1.00 1.25 H new ATOM 0 HD13 ILE A 66 -0.892 -9.175 -6.520 1.00 1.25 H new ATOM 970 N GLY A 67 -4.865 -6.164 -9.590 1.00 0.52 N ATOM 971 CA GLY A 67 -5.982 -5.203 -9.356 1.00 0.55 C ATOM 972 C GLY A 67 -7.202 -5.617 -10.179 1.00 0.53 C ATOM 973 O GLY A 67 -8.325 -5.317 -9.824 1.00 0.63 O ATOM 0 H GLY A 67 -4.064 -5.778 -10.089 1.00 0.52 H new ATOM 0 HA2 GLY A 67 -6.238 -5.179 -8.297 1.00 0.55 H new ATOM 0 HA3 GLY A 67 -5.671 -4.195 -9.632 1.00 0.55 H new ATOM 977 N ASP A 68 -7.005 -6.293 -11.280 1.00 0.54 N ATOM 978 CA ASP A 68 -8.167 -6.710 -12.119 1.00 0.54 C ATOM 979 C ASP A 68 -8.722 -8.045 -11.613 1.00 0.52 C ATOM 980 O ASP A 68 -9.907 -8.302 -11.685 1.00 0.56 O ATOM 981 CB ASP A 68 -7.705 -6.872 -13.570 1.00 0.60 C ATOM 982 CG ASP A 68 -8.911 -7.175 -14.460 1.00 1.43 C ATOM 983 OD1 ASP A 68 -9.820 -6.362 -14.490 1.00 2.12 O ATOM 984 OD2 ASP A 68 -8.904 -8.215 -15.099 1.00 2.20 O ATOM 0 H ASP A 68 -6.091 -6.574 -11.634 1.00 0.54 H new ATOM 0 HA ASP A 68 -8.947 -5.951 -12.059 1.00 0.54 H new ATOM 0 HB2 ASP A 68 -7.210 -5.962 -13.909 1.00 0.60 H new ATOM 0 HB3 ASP A 68 -6.975 -7.678 -13.642 1.00 0.60 H new ATOM 989 N GLU A 69 -7.873 -8.898 -11.109 1.00 0.56 N ATOM 990 CA GLU A 69 -8.344 -10.222 -10.603 1.00 0.56 C ATOM 991 C GLU A 69 -8.922 -10.061 -9.195 1.00 0.55 C ATOM 992 O GLU A 69 -9.981 -10.570 -8.884 1.00 0.73 O ATOM 993 CB GLU A 69 -7.157 -11.189 -10.557 1.00 0.61 C ATOM 994 CG GLU A 69 -7.665 -12.619 -10.357 1.00 0.84 C ATOM 995 CD GLU A 69 -8.336 -13.110 -11.642 1.00 1.65 C ATOM 996 OE1 GLU A 69 -7.624 -13.555 -12.527 1.00 2.48 O ATOM 997 OE2 GLU A 69 -9.552 -13.035 -11.718 1.00 2.23 O ATOM 0 H GLU A 69 -6.869 -8.736 -11.025 1.00 0.56 H new ATOM 0 HA GLU A 69 -9.116 -10.613 -11.265 1.00 0.56 H new ATOM 0 HB2 GLU A 69 -6.585 -11.122 -11.482 1.00 0.61 H new ATOM 0 HB3 GLU A 69 -6.483 -10.915 -9.745 1.00 0.61 H new ATOM 0 HG2 GLU A 69 -6.837 -13.276 -10.093 1.00 0.84 H new ATOM 0 HG3 GLU A 69 -8.374 -12.652 -9.529 1.00 0.84 H new ATOM 1004 N LEU A 70 -8.224 -9.374 -8.336 1.00 0.53 N ATOM 1005 CA LEU A 70 -8.714 -9.195 -6.940 1.00 0.52 C ATOM 1006 C LEU A 70 -9.957 -8.298 -6.914 1.00 0.54 C ATOM 1007 O LEU A 70 -10.926 -8.584 -6.240 1.00 0.60 O ATOM 1008 CB LEU A 70 -7.600 -8.545 -6.096 1.00 0.61 C ATOM 1009 CG LEU A 70 -7.812 -8.861 -4.596 1.00 0.70 C ATOM 1010 CD1 LEU A 70 -7.158 -10.203 -4.247 1.00 1.38 C ATOM 1011 CD2 LEU A 70 -7.188 -7.755 -3.736 1.00 1.61 C ATOM 0 H LEU A 70 -7.331 -8.926 -8.541 1.00 0.53 H new ATOM 0 HA LEU A 70 -8.979 -10.170 -6.531 1.00 0.52 H new ATOM 0 HB2 LEU A 70 -6.627 -8.915 -6.419 1.00 0.61 H new ATOM 0 HB3 LEU A 70 -7.599 -7.466 -6.251 1.00 0.61 H new ATOM 0 HG LEU A 70 -8.882 -8.916 -4.396 1.00 0.70 H new ATOM 0 HD11 LEU A 70 -7.311 -10.418 -3.190 1.00 1.38 H new ATOM 0 HD12 LEU A 70 -7.608 -10.994 -4.847 1.00 1.38 H new ATOM 0 HD13 LEU A 70 -6.089 -10.152 -4.456 1.00 1.38 H new ATOM 0 HD21 LEU A 70 -7.341 -7.984 -2.681 1.00 1.61 H new ATOM 0 HD22 LEU A 70 -6.120 -7.693 -3.942 1.00 1.61 H new ATOM 0 HD23 LEU A 70 -7.659 -6.801 -3.972 1.00 1.61 H new ATOM 1023 N ASP A 71 -9.922 -7.199 -7.617 1.00 0.67 N ATOM 1024 CA ASP A 71 -11.087 -6.269 -7.603 1.00 0.91 C ATOM 1025 C ASP A 71 -12.359 -6.996 -8.038 1.00 1.02 C ATOM 1026 O ASP A 71 -13.427 -6.415 -8.017 1.00 1.29 O ATOM 1027 CB ASP A 71 -10.826 -5.096 -8.549 1.00 1.09 C ATOM 1028 CG ASP A 71 -12.031 -4.154 -8.538 1.00 1.66 C ATOM 1029 OD1 ASP A 71 -12.103 -3.327 -7.644 1.00 2.25 O ATOM 1030 OD2 ASP A 71 -12.862 -4.276 -9.423 1.00 2.36 O ATOM 0 H ASP A 71 -9.138 -6.905 -8.200 1.00 0.67 H new ATOM 0 HA ASP A 71 -11.220 -5.899 -6.587 1.00 0.91 H new ATOM 0 HB2 ASP A 71 -9.929 -4.559 -8.241 1.00 1.09 H new ATOM 0 HB3 ASP A 71 -10.647 -5.463 -9.560 1.00 1.09 H new ATOM 1035 N SER A 72 -12.279 -8.254 -8.410 1.00 0.90 N ATOM 1036 CA SER A 72 -13.526 -8.987 -8.825 1.00 1.20 C ATOM 1037 C SER A 72 -13.966 -9.911 -7.688 1.00 0.98 C ATOM 1038 O SER A 72 -14.694 -10.862 -7.891 1.00 1.02 O ATOM 1039 CB SER A 72 -13.281 -9.780 -10.107 1.00 1.57 C ATOM 1040 OG SER A 72 -14.449 -10.520 -10.432 1.00 2.09 O ATOM 0 H SER A 72 -11.418 -8.800 -8.445 1.00 0.90 H new ATOM 0 HA SER A 72 -14.319 -8.268 -9.028 1.00 1.20 H new ATOM 0 HB2 SER A 72 -13.026 -9.104 -10.923 1.00 1.57 H new ATOM 0 HB3 SER A 72 -12.435 -10.454 -9.975 1.00 1.57 H new ATOM 0 HG SER A 72 -14.983 -10.661 -9.622 1.00 2.09 H new ATOM 1046 N ASN A 73 -13.541 -9.620 -6.486 1.00 0.92 N ATOM 1047 CA ASN A 73 -13.949 -10.456 -5.318 1.00 0.83 C ATOM 1048 C ASN A 73 -15.212 -9.840 -4.708 1.00 0.75 C ATOM 1049 O ASN A 73 -15.187 -8.739 -4.194 1.00 1.07 O ATOM 1050 CB ASN A 73 -12.829 -10.461 -4.273 1.00 0.91 C ATOM 1051 CG ASN A 73 -11.630 -11.245 -4.809 1.00 1.43 C ATOM 1052 OD1 ASN A 73 -11.339 -11.203 -5.987 1.00 2.29 O ATOM 1053 ND2 ASN A 73 -10.915 -11.964 -3.986 1.00 1.90 N ATOM 0 H ASN A 73 -12.927 -8.837 -6.262 1.00 0.92 H new ATOM 0 HA ASN A 73 -14.141 -11.481 -5.637 1.00 0.83 H new ATOM 0 HB2 ASN A 73 -12.532 -9.439 -4.038 1.00 0.91 H new ATOM 0 HB3 ASN A 73 -13.185 -10.910 -3.346 1.00 0.91 H new ATOM 0 HD21 ASN A 73 -10.113 -12.490 -4.333 1.00 1.90 H new ATOM 0 HD22 ASN A 73 -11.159 -12.000 -2.996 1.00 1.90 H new ATOM 1060 N MET A 74 -16.320 -10.530 -4.770 1.00 0.71 N ATOM 1061 CA MET A 74 -17.582 -9.965 -4.207 1.00 0.67 C ATOM 1062 C MET A 74 -17.606 -10.124 -2.685 1.00 0.67 C ATOM 1063 O MET A 74 -18.408 -9.523 -2.000 1.00 0.71 O ATOM 1064 CB MET A 74 -18.791 -10.678 -4.827 1.00 0.75 C ATOM 1065 CG MET A 74 -18.761 -10.553 -6.372 1.00 1.20 C ATOM 1066 SD MET A 74 -20.116 -9.482 -6.935 1.00 1.92 S ATOM 1067 CE MET A 74 -19.154 -7.965 -7.163 1.00 1.96 C ATOM 0 H MET A 74 -16.406 -11.458 -5.185 1.00 0.71 H new ATOM 0 HA MET A 74 -17.629 -8.903 -4.446 1.00 0.67 H new ATOM 0 HB2 MET A 74 -18.786 -11.730 -4.541 1.00 0.75 H new ATOM 0 HB3 MET A 74 -19.714 -10.246 -4.439 1.00 0.75 H new ATOM 0 HG2 MET A 74 -17.804 -10.142 -6.693 1.00 1.20 H new ATOM 0 HG3 MET A 74 -18.853 -11.539 -6.827 1.00 1.20 H new ATOM 0 HE1 MET A 74 -19.810 -7.167 -7.512 1.00 1.96 H new ATOM 0 HE2 MET A 74 -18.703 -7.674 -6.214 1.00 1.96 H new ATOM 0 HE3 MET A 74 -18.370 -8.139 -7.900 1.00 1.96 H new ATOM 1077 N GLU A 75 -16.719 -10.916 -2.151 1.00 0.70 N ATOM 1078 CA GLU A 75 -16.668 -11.102 -0.675 1.00 0.75 C ATOM 1079 C GLU A 75 -15.946 -9.909 -0.045 1.00 0.73 C ATOM 1080 O GLU A 75 -16.488 -9.223 0.799 1.00 0.78 O ATOM 1081 CB GLU A 75 -15.911 -12.392 -0.353 1.00 0.87 C ATOM 1082 CG GLU A 75 -16.119 -12.749 1.118 1.00 1.15 C ATOM 1083 CD GLU A 75 -15.369 -14.042 1.444 1.00 1.70 C ATOM 1084 OE1 GLU A 75 -14.153 -14.041 1.338 1.00 2.21 O ATOM 1085 OE2 GLU A 75 -16.022 -15.011 1.794 1.00 2.29 O ATOM 0 H GLU A 75 -16.023 -11.445 -2.677 1.00 0.70 H new ATOM 0 HA GLU A 75 -17.679 -11.169 -0.274 1.00 0.75 H new ATOM 0 HB2 GLU A 75 -16.266 -13.203 -0.989 1.00 0.87 H new ATOM 0 HB3 GLU A 75 -14.849 -12.265 -0.561 1.00 0.87 H new ATOM 0 HG2 GLU A 75 -15.761 -11.939 1.753 1.00 1.15 H new ATOM 0 HG3 GLU A 75 -17.182 -12.871 1.326 1.00 1.15 H new ATOM 1092 N LEU A 76 -14.735 -9.648 -0.449 1.00 0.74 N ATOM 1093 CA LEU A 76 -13.989 -8.492 0.127 1.00 0.80 C ATOM 1094 C LEU A 76 -14.693 -7.181 -0.245 1.00 0.75 C ATOM 1095 O LEU A 76 -14.567 -6.185 0.439 1.00 0.81 O ATOM 1096 CB LEU A 76 -12.550 -8.492 -0.404 1.00 0.92 C ATOM 1097 CG LEU A 76 -11.694 -7.450 0.340 1.00 1.00 C ATOM 1098 CD1 LEU A 76 -11.289 -7.972 1.726 1.00 1.57 C ATOM 1099 CD2 LEU A 76 -10.427 -7.166 -0.475 1.00 1.51 C ATOM 0 H LEU A 76 -14.228 -10.184 -1.153 1.00 0.74 H new ATOM 0 HA LEU A 76 -13.966 -8.581 1.213 1.00 0.80 H new ATOM 0 HB2 LEU A 76 -12.112 -9.483 -0.282 1.00 0.92 H new ATOM 0 HB3 LEU A 76 -12.551 -8.273 -1.472 1.00 0.92 H new ATOM 0 HG LEU A 76 -12.280 -6.539 0.463 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -10.685 -7.221 2.235 1.00 1.57 H new ATOM 0 HD12 LEU A 76 -12.184 -8.177 2.313 1.00 1.57 H new ATOM 0 HD13 LEU A 76 -10.710 -8.889 1.615 1.00 1.57 H new ATOM 0 HD21 LEU A 76 -9.817 -6.429 0.047 1.00 1.51 H new ATOM 0 HD22 LEU A 76 -9.858 -8.088 -0.596 1.00 1.51 H new ATOM 0 HD23 LEU A 76 -10.704 -6.779 -1.456 1.00 1.51 H new ATOM 1111 N GLN A 77 -15.465 -7.178 -1.296 1.00 0.76 N ATOM 1112 CA GLN A 77 -16.198 -5.933 -1.670 1.00 0.74 C ATOM 1113 C GLN A 77 -17.437 -5.812 -0.779 1.00 0.71 C ATOM 1114 O GLN A 77 -17.880 -4.724 -0.462 1.00 0.72 O ATOM 1115 CB GLN A 77 -16.614 -5.992 -3.146 1.00 0.71 C ATOM 1116 CG GLN A 77 -17.384 -4.718 -3.529 1.00 1.26 C ATOM 1117 CD GLN A 77 -18.845 -4.833 -3.081 1.00 1.59 C ATOM 1118 OE1 GLN A 77 -19.354 -3.965 -2.400 1.00 2.35 O ATOM 1119 NE2 GLN A 77 -19.546 -5.875 -3.439 1.00 2.03 N ATOM 0 H GLN A 77 -15.621 -7.978 -1.910 1.00 0.76 H new ATOM 0 HA GLN A 77 -15.554 -5.065 -1.529 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -15.731 -6.096 -3.777 1.00 0.71 H new ATOM 0 HB3 GLN A 77 -17.237 -6.869 -3.322 1.00 0.71 H new ATOM 0 HG2 GLN A 77 -16.920 -3.849 -3.063 1.00 1.26 H new ATOM 0 HG3 GLN A 77 -17.337 -4.565 -4.607 1.00 1.26 H new ATOM 0 HE21 GLN A 77 -19.120 -6.604 -4.011 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -20.520 -5.959 -3.147 1.00 2.03 H new ATOM 1128 N ARG A 78 -17.988 -6.912 -0.351 1.00 0.72 N ATOM 1129 CA ARG A 78 -19.183 -6.841 0.535 1.00 0.73 C ATOM 1130 C ARG A 78 -18.754 -6.390 1.931 1.00 0.75 C ATOM 1131 O ARG A 78 -19.366 -5.520 2.519 1.00 0.79 O ATOM 1132 CB ARG A 78 -19.847 -8.216 0.627 1.00 0.74 C ATOM 1133 CG ARG A 78 -21.182 -8.092 1.368 1.00 0.94 C ATOM 1134 CD ARG A 78 -21.757 -9.485 1.619 1.00 1.23 C ATOM 1135 NE ARG A 78 -21.945 -10.184 0.317 1.00 1.80 N ATOM 1136 CZ ARG A 78 -22.144 -11.473 0.290 1.00 2.50 C ATOM 1137 NH1 ARG A 78 -22.177 -12.153 1.403 1.00 2.83 N ATOM 1138 NH2 ARG A 78 -22.308 -12.082 -0.852 1.00 3.41 N ATOM 0 H ARG A 78 -17.665 -7.853 -0.575 1.00 0.72 H new ATOM 0 HA ARG A 78 -19.894 -6.127 0.120 1.00 0.73 H new ATOM 0 HB2 ARG A 78 -20.010 -8.620 -0.372 1.00 0.74 H new ATOM 0 HB3 ARG A 78 -19.192 -8.913 1.150 1.00 0.74 H new ATOM 0 HG2 ARG A 78 -21.038 -7.571 2.314 1.00 0.94 H new ATOM 0 HG3 ARG A 78 -21.882 -7.498 0.781 1.00 0.94 H new ATOM 0 HD2 ARG A 78 -21.085 -10.058 2.258 1.00 1.23 H new ATOM 0 HD3 ARG A 78 -22.709 -9.408 2.144 1.00 1.23 H new ATOM 0 HE ARG A 78 -21.918 -9.654 -0.554 1.00 1.80 H new ATOM 0 HH11 ARG A 78 -22.047 -11.677 2.296 1.00 2.83 H new ATOM 0 HH12 ARG A 78 -22.333 -13.161 1.380 1.00 2.83 H new ATOM 0 HH21 ARG A 78 -22.281 -11.550 -1.722 1.00 3.41 H new ATOM 0 HH22 ARG A 78 -22.464 -13.090 -0.875 1.00 3.41 H new ATOM 1152 N MET A 79 -17.713 -6.961 2.477 1.00 0.75 N ATOM 1153 CA MET A 79 -17.273 -6.542 3.836 1.00 0.77 C ATOM 1154 C MET A 79 -17.023 -5.032 3.851 1.00 0.77 C ATOM 1155 O MET A 79 -17.466 -4.333 4.739 1.00 0.78 O ATOM 1156 CB MET A 79 -15.976 -7.277 4.205 1.00 0.81 C ATOM 1157 CG MET A 79 -16.275 -8.750 4.506 1.00 1.08 C ATOM 1158 SD MET A 79 -14.810 -9.529 5.234 1.00 1.07 S ATOM 1159 CE MET A 79 -15.196 -9.189 6.971 1.00 0.81 C ATOM 0 H MET A 79 -17.153 -7.694 2.043 1.00 0.75 H new ATOM 0 HA MET A 79 -18.050 -6.789 4.559 1.00 0.77 H new ATOM 0 HB2 MET A 79 -15.261 -7.203 3.386 1.00 0.81 H new ATOM 0 HB3 MET A 79 -15.516 -6.806 5.074 1.00 0.81 H new ATOM 0 HG2 MET A 79 -17.119 -8.828 5.191 1.00 1.08 H new ATOM 0 HG3 MET A 79 -16.558 -9.269 3.590 1.00 1.08 H new ATOM 0 HE1 MET A 79 -14.406 -9.592 7.605 1.00 0.81 H new ATOM 0 HE2 MET A 79 -15.270 -8.112 7.123 1.00 0.81 H new ATOM 0 HE3 MET A 79 -16.145 -9.658 7.231 1.00 0.81 H new ATOM 1169 N ILE A 80 -16.310 -4.522 2.881 1.00 0.77 N ATOM 1170 CA ILE A 80 -16.031 -3.058 2.860 1.00 0.80 C ATOM 1171 C ILE A 80 -17.353 -2.289 2.904 1.00 0.80 C ATOM 1172 O ILE A 80 -17.447 -1.222 3.478 1.00 0.83 O ATOM 1173 CB ILE A 80 -15.265 -2.701 1.581 1.00 0.82 C ATOM 1174 CG1 ILE A 80 -13.873 -3.338 1.635 1.00 0.84 C ATOM 1175 CG2 ILE A 80 -15.125 -1.178 1.468 1.00 0.89 C ATOM 1176 CD1 ILE A 80 -13.184 -3.194 0.277 1.00 1.10 C ATOM 0 H ILE A 80 -15.911 -5.053 2.107 1.00 0.77 H new ATOM 0 HA ILE A 80 -15.427 -2.788 3.726 1.00 0.80 H new ATOM 0 HB ILE A 80 -15.810 -3.076 0.715 1.00 0.82 H new ATOM 0 HG12 ILE A 80 -13.274 -2.859 2.410 1.00 0.84 H new ATOM 0 HG13 ILE A 80 -13.955 -4.392 1.901 1.00 0.84 H new ATOM 0 HG21 ILE A 80 -14.580 -0.929 0.557 1.00 0.89 H new ATOM 0 HG22 ILE A 80 -16.115 -0.723 1.434 1.00 0.89 H new ATOM 0 HG23 ILE A 80 -14.580 -0.798 2.332 1.00 0.89 H new ATOM 0 HD11 ILE A 80 -12.194 -3.649 0.321 1.00 1.10 H new ATOM 0 HD12 ILE A 80 -13.779 -3.693 -0.488 1.00 1.10 H new ATOM 0 HD13 ILE A 80 -13.087 -2.137 0.029 1.00 1.10 H new ATOM 1188 N ALA A 81 -18.382 -2.833 2.306 1.00 0.78 N ATOM 1189 CA ALA A 81 -19.703 -2.141 2.316 1.00 0.80 C ATOM 1190 C ALA A 81 -20.338 -2.273 3.703 1.00 0.81 C ATOM 1191 O ALA A 81 -21.205 -1.508 4.074 1.00 0.85 O ATOM 1192 CB ALA A 81 -20.622 -2.776 1.270 1.00 0.79 C ATOM 0 H ALA A 81 -18.363 -3.725 1.812 1.00 0.78 H new ATOM 0 HA ALA A 81 -19.562 -1.086 2.080 1.00 0.80 H new ATOM 0 HB1 ALA A 81 -21.587 -2.270 1.278 1.00 0.79 H new ATOM 0 HB2 ALA A 81 -20.170 -2.680 0.283 1.00 0.79 H new ATOM 0 HB3 ALA A 81 -20.764 -3.831 1.503 1.00 0.79 H new ATOM 1198 N ALA A 82 -19.904 -3.232 4.475 1.00 0.78 N ATOM 1199 CA ALA A 82 -20.473 -3.408 5.842 1.00 0.80 C ATOM 1200 C ALA A 82 -19.846 -2.379 6.786 1.00 0.79 C ATOM 1201 O ALA A 82 -20.361 -2.109 7.853 1.00 0.83 O ATOM 1202 CB ALA A 82 -20.157 -4.817 6.348 1.00 0.87 C ATOM 0 H ALA A 82 -19.179 -3.902 4.218 1.00 0.78 H new ATOM 0 HA ALA A 82 -21.553 -3.267 5.809 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -20.573 -4.946 7.347 1.00 0.87 H new ATOM 0 HB2 ALA A 82 -20.596 -5.553 5.674 1.00 0.87 H new ATOM 0 HB3 ALA A 82 -19.077 -4.957 6.383 1.00 0.87 H new ATOM 1208 N VAL A 83 -18.755 -1.783 6.391 1.00 0.80 N ATOM 1209 CA VAL A 83 -18.106 -0.751 7.252 1.00 0.85 C ATOM 1210 C VAL A 83 -18.789 0.601 7.013 1.00 0.99 C ATOM 1211 O VAL A 83 -18.311 1.444 6.282 1.00 1.36 O ATOM 1212 CB VAL A 83 -16.609 -0.650 6.916 1.00 0.97 C ATOM 1213 CG1 VAL A 83 -15.860 0.036 8.058 1.00 1.81 C ATOM 1214 CG2 VAL A 83 -16.026 -2.050 6.703 1.00 1.40 C ATOM 0 H VAL A 83 -18.282 -1.966 5.506 1.00 0.80 H new ATOM 0 HA VAL A 83 -18.209 -1.033 8.300 1.00 0.85 H new ATOM 0 HB VAL A 83 -16.496 -0.064 6.004 1.00 0.97 H new ATOM 0 HG11 VAL A 83 -14.801 0.103 7.810 1.00 1.81 H new ATOM 0 HG12 VAL A 83 -16.262 1.038 8.206 1.00 1.81 H new ATOM 0 HG13 VAL A 83 -15.983 -0.543 8.973 1.00 1.81 H new ATOM 0 HG21 VAL A 83 -14.965 -1.970 6.465 1.00 1.40 H new ATOM 0 HG22 VAL A 83 -16.151 -2.638 7.612 1.00 1.40 H new ATOM 0 HG23 VAL A 83 -16.546 -2.539 5.880 1.00 1.40 H new ATOM 1273 N PRO A 88 -11.414 8.475 9.167 1.00 0.77 N ATOM 1274 CA PRO A 88 -10.150 8.343 8.406 1.00 0.83 C ATOM 1275 C PRO A 88 -8.938 8.053 9.317 1.00 0.73 C ATOM 1276 O PRO A 88 -8.247 7.069 9.143 1.00 0.72 O ATOM 1277 CB PRO A 88 -9.973 9.714 7.707 1.00 1.01 C ATOM 1278 CG PRO A 88 -11.027 10.682 8.309 1.00 1.07 C ATOM 1279 CD PRO A 88 -12.019 9.830 9.119 1.00 0.83 C ATOM 0 HA PRO A 88 -10.199 7.505 7.711 1.00 0.83 H new ATOM 0 HB2 PRO A 88 -8.965 10.098 7.865 1.00 1.01 H new ATOM 0 HB3 PRO A 88 -10.112 9.617 6.630 1.00 1.01 H new ATOM 0 HG2 PRO A 88 -10.547 11.424 8.947 1.00 1.07 H new ATOM 0 HG3 PRO A 88 -11.544 11.227 7.519 1.00 1.07 H new ATOM 0 HD2 PRO A 88 -12.160 10.235 10.121 1.00 0.83 H new ATOM 0 HD3 PRO A 88 -13.000 9.808 8.644 1.00 0.83 H new ATOM 1287 N ARG A 89 -8.638 8.933 10.231 1.00 0.75 N ATOM 1288 CA ARG A 89 -7.424 8.740 11.085 1.00 0.73 C ATOM 1289 C ARG A 89 -7.623 7.644 12.136 1.00 0.67 C ATOM 1290 O ARG A 89 -6.780 6.788 12.315 1.00 0.68 O ATOM 1291 CB ARG A 89 -7.084 10.050 11.794 1.00 0.79 C ATOM 1292 CG ARG A 89 -7.041 11.194 10.780 1.00 1.63 C ATOM 1293 CD ARG A 89 -6.571 12.469 11.482 1.00 1.65 C ATOM 1294 NE ARG A 89 -7.377 12.680 12.717 1.00 2.07 N ATOM 1295 CZ ARG A 89 -6.965 13.513 13.634 1.00 2.47 C ATOM 1296 NH1 ARG A 89 -5.836 14.149 13.479 1.00 2.69 N ATOM 1297 NH2 ARG A 89 -7.681 13.706 14.708 1.00 3.10 N ATOM 0 H ARG A 89 -9.177 9.777 10.426 1.00 0.75 H new ATOM 0 HA ARG A 89 -6.610 8.433 10.428 1.00 0.73 H new ATOM 0 HB2 ARG A 89 -7.827 10.261 12.563 1.00 0.79 H new ATOM 0 HB3 ARG A 89 -6.121 9.962 12.297 1.00 0.79 H new ATOM 0 HG2 ARG A 89 -6.366 10.945 9.961 1.00 1.63 H new ATOM 0 HG3 ARG A 89 -8.028 11.347 10.344 1.00 1.63 H new ATOM 0 HD2 ARG A 89 -5.513 12.390 11.734 1.00 1.65 H new ATOM 0 HD3 ARG A 89 -6.677 13.325 10.815 1.00 1.65 H new ATOM 0 HE ARG A 89 -8.252 12.173 12.846 1.00 2.07 H new ATOM 0 HH11 ARG A 89 -5.275 13.995 12.641 1.00 2.69 H new ATOM 0 HH12 ARG A 89 -5.515 14.800 14.196 1.00 2.69 H new ATOM 0 HH21 ARG A 89 -8.562 13.206 14.830 1.00 3.10 H new ATOM 0 HH22 ARG A 89 -7.360 14.357 15.425 1.00 3.10 H new ATOM 1311 N GLU A 90 -8.717 7.664 12.838 1.00 0.65 N ATOM 1312 CA GLU A 90 -8.942 6.624 13.883 1.00 0.65 C ATOM 1313 C GLU A 90 -8.861 5.233 13.232 1.00 0.64 C ATOM 1314 O GLU A 90 -8.355 4.299 13.822 1.00 0.67 O ATOM 1315 CB GLU A 90 -10.324 6.869 14.534 1.00 0.71 C ATOM 1316 CG GLU A 90 -11.028 5.546 14.865 1.00 1.32 C ATOM 1317 CD GLU A 90 -12.236 5.817 15.760 1.00 2.02 C ATOM 1318 OE1 GLU A 90 -13.024 6.680 15.412 1.00 2.78 O ATOM 1319 OE2 GLU A 90 -12.354 5.155 16.779 1.00 2.46 O ATOM 0 H GLU A 90 -9.464 8.351 12.737 1.00 0.65 H new ATOM 0 HA GLU A 90 -8.180 6.678 14.660 1.00 0.65 H new ATOM 0 HB2 GLU A 90 -10.200 7.455 15.445 1.00 0.71 H new ATOM 0 HB3 GLU A 90 -10.947 7.456 13.859 1.00 0.71 H new ATOM 0 HG2 GLU A 90 -11.347 5.053 13.947 1.00 1.32 H new ATOM 0 HG3 GLU A 90 -10.336 4.870 15.367 1.00 1.32 H new ATOM 1326 N VAL A 91 -9.369 5.079 12.040 1.00 0.64 N ATOM 1327 CA VAL A 91 -9.327 3.735 11.387 1.00 0.67 C ATOM 1328 C VAL A 91 -7.981 3.522 10.699 1.00 0.66 C ATOM 1329 O VAL A 91 -7.370 2.482 10.829 1.00 0.67 O ATOM 1330 CB VAL A 91 -10.438 3.617 10.352 1.00 0.71 C ATOM 1331 CG1 VAL A 91 -10.428 2.209 9.754 1.00 0.80 C ATOM 1332 CG2 VAL A 91 -11.785 3.874 11.024 1.00 0.75 C ATOM 0 H VAL A 91 -9.809 5.818 11.491 1.00 0.64 H new ATOM 0 HA VAL A 91 -9.465 2.977 12.158 1.00 0.67 H new ATOM 0 HB VAL A 91 -10.279 4.350 9.561 1.00 0.71 H new ATOM 0 HG11 VAL A 91 -11.223 2.123 9.013 1.00 0.80 H new ATOM 0 HG12 VAL A 91 -9.466 2.023 9.277 1.00 0.80 H new ATOM 0 HG13 VAL A 91 -10.589 1.477 10.545 1.00 0.80 H new ATOM 0 HG21 VAL A 91 -12.582 3.790 10.285 1.00 0.75 H new ATOM 0 HG22 VAL A 91 -11.944 3.140 11.814 1.00 0.75 H new ATOM 0 HG23 VAL A 91 -11.792 4.876 11.453 1.00 0.75 H new ATOM 1342 N PHE A 92 -7.513 4.493 9.970 1.00 0.64 N ATOM 1343 CA PHE A 92 -6.207 4.334 9.271 1.00 0.65 C ATOM 1344 C PHE A 92 -5.138 3.851 10.252 1.00 0.62 C ATOM 1345 O PHE A 92 -4.292 3.050 9.903 1.00 0.67 O ATOM 1346 CB PHE A 92 -5.780 5.675 8.668 1.00 0.65 C ATOM 1347 CG PHE A 92 -4.426 5.526 8.014 1.00 0.65 C ATOM 1348 CD1 PHE A 92 -4.335 5.133 6.672 1.00 1.31 C ATOM 1349 CD2 PHE A 92 -3.262 5.780 8.748 1.00 1.44 C ATOM 1350 CE1 PHE A 92 -3.080 4.995 6.066 1.00 1.31 C ATOM 1351 CE2 PHE A 92 -2.007 5.641 8.142 1.00 1.47 C ATOM 1352 CZ PHE A 92 -1.916 5.248 6.802 1.00 0.73 C ATOM 0 H PHE A 92 -7.977 5.390 9.827 1.00 0.64 H new ATOM 0 HA PHE A 92 -6.319 3.596 8.477 1.00 0.65 H new ATOM 0 HB2 PHE A 92 -6.515 6.007 7.935 1.00 0.65 H new ATOM 0 HB3 PHE A 92 -5.738 6.438 9.445 1.00 0.65 H new ATOM 0 HD1 PHE A 92 -5.233 4.936 6.105 1.00 1.31 H new ATOM 0 HD2 PHE A 92 -3.331 6.083 9.782 1.00 1.44 H new ATOM 0 HE1 PHE A 92 -3.010 4.694 5.031 1.00 1.31 H new ATOM 0 HE2 PHE A 92 -1.109 5.837 8.709 1.00 1.47 H new ATOM 0 HZ PHE A 92 -0.948 5.140 6.336 1.00 0.73 H new ATOM 1362 N PHE A 93 -5.150 4.327 11.473 1.00 0.58 N ATOM 1363 CA PHE A 93 -4.105 3.881 12.449 1.00 0.57 C ATOM 1364 C PHE A 93 -4.573 2.606 13.160 1.00 0.59 C ATOM 1365 O PHE A 93 -3.775 1.762 13.517 1.00 0.60 O ATOM 1366 CB PHE A 93 -3.849 4.997 13.466 1.00 0.57 C ATOM 1367 CG PHE A 93 -2.891 4.520 14.531 1.00 0.56 C ATOM 1368 CD1 PHE A 93 -1.512 4.655 14.340 1.00 1.15 C ATOM 1369 CD2 PHE A 93 -3.383 3.950 15.712 1.00 1.47 C ATOM 1370 CE1 PHE A 93 -0.622 4.218 15.329 1.00 1.07 C ATOM 1371 CE2 PHE A 93 -2.493 3.515 16.702 1.00 1.58 C ATOM 1372 CZ PHE A 93 -1.113 3.649 16.510 1.00 0.70 C ATOM 0 H PHE A 93 -5.829 4.997 11.834 1.00 0.58 H new ATOM 0 HA PHE A 93 -3.177 3.665 11.920 1.00 0.57 H new ATOM 0 HB2 PHE A 93 -3.438 5.872 12.962 1.00 0.57 H new ATOM 0 HB3 PHE A 93 -4.789 5.305 13.923 1.00 0.57 H new ATOM 0 HD1 PHE A 93 -1.134 5.096 13.430 1.00 1.15 H new ATOM 0 HD2 PHE A 93 -4.448 3.846 15.859 1.00 1.47 H new ATOM 0 HE1 PHE A 93 0.443 4.320 15.181 1.00 1.07 H new ATOM 0 HE2 PHE A 93 -2.871 3.076 17.613 1.00 1.58 H new ATOM 0 HZ PHE A 93 -0.427 3.313 17.273 1.00 0.70 H new ATOM 1382 N ARG A 94 -5.853 2.448 13.363 1.00 0.62 N ATOM 1383 CA ARG A 94 -6.342 1.213 14.043 1.00 0.67 C ATOM 1384 C ARG A 94 -6.179 0.026 13.097 1.00 0.66 C ATOM 1385 O ARG A 94 -5.571 -0.968 13.446 1.00 0.67 O ATOM 1386 CB ARG A 94 -7.818 1.376 14.427 1.00 0.72 C ATOM 1387 CG ARG A 94 -8.424 0.037 14.884 1.00 0.89 C ATOM 1388 CD ARG A 94 -7.572 -0.583 15.994 1.00 1.00 C ATOM 1389 NE ARG A 94 -7.220 0.463 16.995 1.00 1.95 N ATOM 1390 CZ ARG A 94 -6.769 0.120 18.171 1.00 2.64 C ATOM 1391 NH1 ARG A 94 -6.618 -1.141 18.470 1.00 2.76 N ATOM 1392 NH2 ARG A 94 -6.470 1.039 19.047 1.00 3.65 N ATOM 0 H ARG A 94 -6.576 3.114 13.090 1.00 0.62 H new ATOM 0 HA ARG A 94 -5.762 1.041 14.950 1.00 0.67 H new ATOM 0 HB2 ARG A 94 -7.910 2.112 15.226 1.00 0.72 H new ATOM 0 HB3 ARG A 94 -8.378 1.760 13.574 1.00 0.72 H new ATOM 0 HG2 ARG A 94 -9.441 0.194 15.243 1.00 0.89 H new ATOM 0 HG3 ARG A 94 -8.486 -0.649 14.039 1.00 0.89 H new ATOM 0 HD2 ARG A 94 -8.118 -1.393 16.476 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -6.666 -1.017 15.572 1.00 1.00 H new ATOM 0 HE ARG A 94 -7.332 1.449 16.761 1.00 1.95 H new ATOM 0 HH11 ARG A 94 -6.852 -1.859 17.785 1.00 2.76 H new ATOM 0 HH12 ARG A 94 -6.266 -1.409 19.389 1.00 2.76 H new ATOM 0 HH21 ARG A 94 -6.589 2.025 18.813 1.00 3.65 H new ATOM 0 HH22 ARG A 94 -6.118 0.772 19.966 1.00 3.65 H new ATOM 1406 N VAL A 95 -6.716 0.093 11.901 1.00 0.65 N ATOM 1407 CA VAL A 95 -6.580 -1.055 10.967 1.00 0.66 C ATOM 1408 C VAL A 95 -5.098 -1.315 10.679 1.00 0.66 C ATOM 1409 O VAL A 95 -4.649 -2.444 10.675 1.00 0.67 O ATOM 1410 CB VAL A 95 -7.336 -0.724 9.662 1.00 0.64 C ATOM 1411 CG1 VAL A 95 -6.532 0.272 8.812 1.00 1.27 C ATOM 1412 CG2 VAL A 95 -7.569 -2.002 8.853 1.00 1.08 C ATOM 0 H VAL A 95 -7.238 0.891 11.539 1.00 0.65 H new ATOM 0 HA VAL A 95 -7.005 -1.954 11.412 1.00 0.66 H new ATOM 0 HB VAL A 95 -8.295 -0.277 9.926 1.00 0.64 H new ATOM 0 HG11 VAL A 95 -7.080 0.494 7.896 1.00 1.27 H new ATOM 0 HG12 VAL A 95 -6.380 1.192 9.376 1.00 1.27 H new ATOM 0 HG13 VAL A 95 -5.565 -0.163 8.560 1.00 1.27 H new ATOM 0 HG21 VAL A 95 -8.103 -1.759 7.934 1.00 1.08 H new ATOM 0 HG22 VAL A 95 -6.609 -2.456 8.606 1.00 1.08 H new ATOM 0 HG23 VAL A 95 -8.161 -2.703 9.442 1.00 1.08 H new ATOM 1422 N ALA A 96 -4.342 -0.285 10.409 1.00 0.65 N ATOM 1423 CA ALA A 96 -2.905 -0.486 10.091 1.00 0.68 C ATOM 1424 C ALA A 96 -2.200 -1.175 11.263 1.00 0.70 C ATOM 1425 O ALA A 96 -1.414 -2.085 11.102 1.00 0.76 O ATOM 1426 CB ALA A 96 -2.257 0.875 9.834 1.00 0.69 C ATOM 0 H ALA A 96 -4.660 0.684 10.396 1.00 0.65 H new ATOM 0 HA ALA A 96 -2.814 -1.114 9.205 1.00 0.68 H new ATOM 0 HB1 ALA A 96 -1.201 0.737 9.600 1.00 0.69 H new ATOM 0 HB2 ALA A 96 -2.754 1.362 8.995 1.00 0.69 H new ATOM 0 HB3 ALA A 96 -2.353 1.497 10.724 1.00 0.69 H new ATOM 1432 N ALA A 97 -2.488 -0.709 12.452 1.00 0.74 N ATOM 1433 CA ALA A 97 -1.855 -1.281 13.675 1.00 0.78 C ATOM 1434 C ALA A 97 -2.343 -2.712 13.902 1.00 0.79 C ATOM 1435 O ALA A 97 -1.595 -3.569 14.329 1.00 0.83 O ATOM 1436 CB ALA A 97 -2.228 -0.425 14.887 1.00 0.77 C ATOM 0 H ALA A 97 -3.143 0.053 12.627 1.00 0.74 H new ATOM 0 HA ALA A 97 -0.773 -1.289 13.543 1.00 0.78 H new ATOM 0 HB1 ALA A 97 -1.766 -0.841 15.782 1.00 0.77 H new ATOM 0 HB2 ALA A 97 -1.873 0.594 14.736 1.00 0.77 H new ATOM 0 HB3 ALA A 97 -3.311 -0.417 15.007 1.00 0.77 H new ATOM 1442 N ASP A 98 -3.587 -2.985 13.620 1.00 0.78 N ATOM 1443 CA ASP A 98 -4.106 -4.366 13.826 1.00 0.82 C ATOM 1444 C ASP A 98 -3.397 -5.328 12.870 1.00 0.83 C ATOM 1445 O ASP A 98 -3.075 -6.442 13.231 1.00 0.88 O ATOM 1446 CB ASP A 98 -5.616 -4.392 13.577 1.00 0.82 C ATOM 1447 CG ASP A 98 -6.164 -5.786 13.887 1.00 1.47 C ATOM 1448 OD1 ASP A 98 -6.011 -6.660 13.050 1.00 2.13 O ATOM 1449 OD2 ASP A 98 -6.728 -5.955 14.955 1.00 2.19 O ATOM 0 H ASP A 98 -4.264 -2.314 13.257 1.00 0.78 H new ATOM 0 HA ASP A 98 -3.912 -4.678 14.852 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -6.111 -3.649 14.202 1.00 0.82 H new ATOM 0 HB3 ASP A 98 -5.828 -4.129 12.541 1.00 0.82 H new ATOM 1454 N MET A 99 -3.158 -4.923 11.653 1.00 0.81 N ATOM 1455 CA MET A 99 -2.478 -5.838 10.692 1.00 0.85 C ATOM 1456 C MET A 99 -1.120 -6.264 11.262 1.00 0.97 C ATOM 1457 O MET A 99 -0.624 -7.336 10.980 1.00 1.14 O ATOM 1458 CB MET A 99 -2.246 -5.108 9.360 1.00 0.79 C ATOM 1459 CG MET A 99 -3.555 -4.988 8.572 1.00 0.81 C ATOM 1460 SD MET A 99 -3.169 -4.562 6.852 1.00 0.97 S ATOM 1461 CE MET A 99 -4.457 -3.315 6.601 1.00 0.48 C ATOM 0 H MET A 99 -3.402 -4.004 11.284 1.00 0.81 H new ATOM 0 HA MET A 99 -3.106 -6.714 10.531 1.00 0.85 H new ATOM 0 HB2 MET A 99 -1.838 -4.115 9.550 1.00 0.79 H new ATOM 0 HB3 MET A 99 -1.507 -5.648 8.768 1.00 0.79 H new ATOM 0 HG2 MET A 99 -4.107 -5.927 8.613 1.00 0.81 H new ATOM 0 HG3 MET A 99 -4.193 -4.224 9.015 1.00 0.81 H new ATOM 0 HE1 MET A 99 -4.390 -2.922 5.587 1.00 0.48 H new ATOM 0 HE2 MET A 99 -5.437 -3.769 6.751 1.00 0.48 H new ATOM 0 HE3 MET A 99 -4.321 -2.502 7.315 1.00 0.48 H new ATOM 1600 N ARG A 109 1.474 -6.909 4.168 1.00 0.86 N ATOM 1601 CA ARG A 109 1.274 -5.532 4.692 1.00 0.87 C ATOM 1602 C ARG A 109 1.494 -4.487 3.601 1.00 0.70 C ATOM 1603 O ARG A 109 0.832 -3.468 3.567 1.00 0.81 O ATOM 1604 CB ARG A 109 2.312 -5.285 5.796 1.00 1.08 C ATOM 1605 CG ARG A 109 3.739 -5.274 5.232 1.00 1.48 C ATOM 1606 CD ARG A 109 4.752 -5.551 6.360 1.00 1.96 C ATOM 1607 NE ARG A 109 4.307 -4.904 7.643 1.00 2.74 N ATOM 1608 CZ ARG A 109 4.017 -3.630 7.704 1.00 3.19 C ATOM 1609 NH1 ARG A 109 4.235 -2.855 6.678 1.00 3.19 N ATOM 1610 NH2 ARG A 109 3.537 -3.124 8.807 1.00 4.08 N ATOM 0 HA ARG A 109 0.253 -5.446 5.064 1.00 0.87 H new ATOM 0 HB2 ARG A 109 2.105 -4.333 6.285 1.00 1.08 H new ATOM 0 HB3 ARG A 109 2.226 -6.060 6.558 1.00 1.08 H new ATOM 0 HG2 ARG A 109 3.836 -6.028 4.451 1.00 1.48 H new ATOM 0 HG3 ARG A 109 3.950 -4.309 4.771 1.00 1.48 H new ATOM 0 HD2 ARG A 109 4.857 -6.626 6.506 1.00 1.96 H new ATOM 0 HD3 ARG A 109 5.733 -5.171 6.076 1.00 1.96 H new ATOM 0 HE ARG A 109 4.229 -5.473 8.486 1.00 2.74 H new ATOM 0 HH11 ARG A 109 4.634 -3.242 5.822 1.00 3.19 H new ATOM 0 HH12 ARG A 109 4.007 -1.862 6.731 1.00 3.19 H new ATOM 0 HH21 ARG A 109 3.388 -3.722 9.620 1.00 4.08 H new ATOM 0 HH22 ARG A 109 3.310 -2.131 8.856 1.00 4.08 H new ATOM 1624 N VAL A 110 2.444 -4.704 2.731 1.00 0.60 N ATOM 1625 CA VAL A 110 2.722 -3.686 1.684 1.00 0.68 C ATOM 1626 C VAL A 110 1.580 -3.644 0.667 1.00 0.56 C ATOM 1627 O VAL A 110 1.022 -2.600 0.395 1.00 0.60 O ATOM 1628 CB VAL A 110 4.035 -4.022 0.971 1.00 0.88 C ATOM 1629 CG1 VAL A 110 4.427 -2.876 0.039 1.00 1.27 C ATOM 1630 CG2 VAL A 110 5.139 -4.235 2.009 1.00 1.73 C ATOM 0 H VAL A 110 3.034 -5.536 2.702 1.00 0.60 H new ATOM 0 HA VAL A 110 2.807 -2.709 2.159 1.00 0.68 H new ATOM 0 HB VAL A 110 3.903 -4.932 0.386 1.00 0.88 H new ATOM 0 HG11 VAL A 110 5.362 -3.121 -0.465 1.00 1.27 H new ATOM 0 HG12 VAL A 110 3.643 -2.726 -0.703 1.00 1.27 H new ATOM 0 HG13 VAL A 110 4.556 -1.963 0.620 1.00 1.27 H new ATOM 0 HG21 VAL A 110 6.074 -4.474 1.502 1.00 1.73 H new ATOM 0 HG22 VAL A 110 5.267 -3.325 2.596 1.00 1.73 H new ATOM 0 HG23 VAL A 110 4.864 -5.057 2.669 1.00 1.73 H new ATOM 1640 N VAL A 111 1.254 -4.757 0.067 1.00 0.51 N ATOM 1641 CA VAL A 111 0.185 -4.760 -0.965 1.00 0.50 C ATOM 1642 C VAL A 111 -1.152 -4.306 -0.369 1.00 0.46 C ATOM 1643 O VAL A 111 -1.840 -3.452 -0.889 1.00 0.47 O ATOM 1644 CB VAL A 111 0.013 -6.187 -1.495 1.00 0.58 C ATOM 1645 CG1 VAL A 111 -0.829 -6.154 -2.776 1.00 1.41 C ATOM 1646 CG2 VAL A 111 1.388 -6.780 -1.818 1.00 1.36 C ATOM 0 H VAL A 111 1.684 -5.664 0.249 1.00 0.51 H new ATOM 0 HA VAL A 111 0.472 -4.075 -1.763 1.00 0.50 H new ATOM 0 HB VAL A 111 -0.484 -6.797 -0.740 1.00 0.58 H new ATOM 0 HG11 VAL A 111 -0.953 -7.168 -3.156 1.00 1.41 H new ATOM 0 HG12 VAL A 111 -1.807 -5.726 -2.557 1.00 1.41 H new ATOM 0 HG13 VAL A 111 -0.326 -5.545 -3.527 1.00 1.41 H new ATOM 0 HG21 VAL A 111 1.267 -7.795 -2.195 1.00 1.36 H new ATOM 0 HG22 VAL A 111 1.880 -6.168 -2.574 1.00 1.36 H new ATOM 0 HG23 VAL A 111 1.997 -6.799 -0.914 1.00 1.36 H new ATOM 1656 N ALA A 112 -1.503 -4.901 0.748 1.00 0.45 N ATOM 1657 CA ALA A 112 -2.776 -4.565 1.447 1.00 0.47 C ATOM 1658 C ALA A 112 -2.859 -3.067 1.736 1.00 0.46 C ATOM 1659 O ALA A 112 -3.731 -2.390 1.229 1.00 0.54 O ATOM 1660 CB ALA A 112 -2.855 -5.344 2.762 1.00 0.53 C ATOM 0 H ALA A 112 -0.946 -5.620 1.210 1.00 0.45 H new ATOM 0 HA ALA A 112 -3.610 -4.839 0.801 1.00 0.47 H new ATOM 0 HB1 ALA A 112 -3.785 -5.099 3.274 1.00 0.53 H new ATOM 0 HB2 ALA A 112 -2.826 -6.414 2.554 1.00 0.53 H new ATOM 0 HB3 ALA A 112 -2.010 -5.075 3.396 1.00 0.53 H new ATOM 1666 N LEU A 113 -1.993 -2.538 2.549 1.00 0.43 N ATOM 1667 CA LEU A 113 -2.073 -1.080 2.857 1.00 0.43 C ATOM 1668 C LEU A 113 -2.233 -0.284 1.552 1.00 0.42 C ATOM 1669 O LEU A 113 -2.999 0.656 1.479 1.00 0.45 O ATOM 1670 CB LEU A 113 -0.790 -0.644 3.595 1.00 0.44 C ATOM 1671 CG LEU A 113 -1.118 0.439 4.633 1.00 0.51 C ATOM 1672 CD1 LEU A 113 0.168 0.867 5.342 1.00 1.45 C ATOM 1673 CD2 LEU A 113 -1.752 1.651 3.939 1.00 1.27 C ATOM 0 H LEU A 113 -1.238 -3.044 3.012 1.00 0.43 H new ATOM 0 HA LEU A 113 -2.935 -0.885 3.494 1.00 0.43 H new ATOM 0 HB2 LEU A 113 -0.335 -1.504 4.087 1.00 0.44 H new ATOM 0 HB3 LEU A 113 -0.061 -0.263 2.879 1.00 0.44 H new ATOM 0 HG LEU A 113 -1.822 0.039 5.363 1.00 0.51 H new ATOM 0 HD11 LEU A 113 -0.062 1.636 6.080 1.00 1.45 H new ATOM 0 HD12 LEU A 113 0.612 0.006 5.842 1.00 1.45 H new ATOM 0 HD13 LEU A 113 0.872 1.265 4.611 1.00 1.45 H new ATOM 0 HD21 LEU A 113 -1.982 2.416 4.681 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -1.055 2.056 3.205 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -2.670 1.344 3.437 1.00 1.27 H new ATOM 1685 N PHE A 114 -1.495 -0.634 0.535 1.00 0.40 N ATOM 1686 CA PHE A 114 -1.596 0.132 -0.741 1.00 0.40 C ATOM 1687 C PHE A 114 -3.027 0.054 -1.277 1.00 0.39 C ATOM 1688 O PHE A 114 -3.586 1.030 -1.734 1.00 0.41 O ATOM 1689 CB PHE A 114 -0.625 -0.436 -1.782 1.00 0.41 C ATOM 1690 CG PHE A 114 0.838 -0.234 -1.396 1.00 0.44 C ATOM 1691 CD1 PHE A 114 1.228 0.370 -0.178 1.00 1.27 C ATOM 1692 CD2 PHE A 114 1.824 -0.664 -2.296 1.00 1.29 C ATOM 1693 CE1 PHE A 114 2.584 0.533 0.116 1.00 1.27 C ATOM 1694 CE2 PHE A 114 3.179 -0.499 -1.992 1.00 1.38 C ATOM 1695 CZ PHE A 114 3.559 0.100 -0.787 1.00 0.68 C ATOM 0 H PHE A 114 -0.832 -1.409 0.530 1.00 0.40 H new ATOM 0 HA PHE A 114 -1.336 1.173 -0.547 1.00 0.40 H new ATOM 0 HB2 PHE A 114 -0.819 -1.501 -1.910 1.00 0.41 H new ATOM 0 HB3 PHE A 114 -0.811 0.040 -2.745 1.00 0.41 H new ATOM 0 HD1 PHE A 114 0.479 0.705 0.524 1.00 1.27 H new ATOM 0 HD2 PHE A 114 1.535 -1.125 -3.229 1.00 1.29 H new ATOM 0 HE1 PHE A 114 2.880 0.996 1.046 1.00 1.27 H new ATOM 0 HE2 PHE A 114 3.933 -0.835 -2.689 1.00 1.38 H new ATOM 0 HZ PHE A 114 4.606 0.228 -0.554 1.00 0.68 H new ATOM 1705 N TYR A 115 -3.616 -1.110 -1.240 1.00 0.40 N ATOM 1706 CA TYR A 115 -5.001 -1.263 -1.762 1.00 0.41 C ATOM 1707 C TYR A 115 -6.018 -0.637 -0.805 1.00 0.41 C ATOM 1708 O TYR A 115 -6.904 0.070 -1.227 1.00 0.44 O ATOM 1709 CB TYR A 115 -5.325 -2.753 -1.938 1.00 0.44 C ATOM 1710 CG TYR A 115 -6.594 -2.917 -2.746 1.00 0.47 C ATOM 1711 CD1 TYR A 115 -6.535 -2.928 -4.145 1.00 1.24 C ATOM 1712 CD2 TYR A 115 -7.829 -3.064 -2.098 1.00 1.28 C ATOM 1713 CE1 TYR A 115 -7.707 -3.085 -4.896 1.00 1.26 C ATOM 1714 CE2 TYR A 115 -9.001 -3.222 -2.850 1.00 1.32 C ATOM 1715 CZ TYR A 115 -8.940 -3.232 -4.249 1.00 0.61 C ATOM 1716 OH TYR A 115 -10.094 -3.387 -4.989 1.00 0.70 O ATOM 0 H TYR A 115 -3.196 -1.963 -0.870 1.00 0.40 H new ATOM 0 HA TYR A 115 -5.062 -0.751 -2.723 1.00 0.41 H new ATOM 0 HB2 TYR A 115 -4.498 -3.256 -2.439 1.00 0.44 H new ATOM 0 HB3 TYR A 115 -5.442 -3.225 -0.963 1.00 0.44 H new ATOM 0 HD1 TYR A 115 -5.585 -2.815 -4.646 1.00 1.24 H new ATOM 0 HD2 TYR A 115 -7.877 -3.055 -1.019 1.00 1.28 H new ATOM 0 HE1 TYR A 115 -7.660 -3.093 -5.975 1.00 1.26 H new ATOM 0 HE2 TYR A 115 -9.952 -3.336 -2.350 1.00 1.32 H new ATOM 0 HH TYR A 115 -10.860 -3.477 -4.385 1.00 0.70 H new ATOM 1726 N PHE A 116 -5.919 -0.891 0.471 1.00 0.38 N ATOM 1727 CA PHE A 116 -6.922 -0.307 1.407 1.00 0.38 C ATOM 1728 C PHE A 116 -6.936 1.225 1.268 1.00 0.36 C ATOM 1729 O PHE A 116 -7.975 1.853 1.180 1.00 0.35 O ATOM 1730 CB PHE A 116 -6.554 -0.678 2.853 1.00 0.40 C ATOM 1731 CG PHE A 116 -7.402 0.119 3.828 1.00 0.37 C ATOM 1732 CD1 PHE A 116 -8.723 -0.271 4.107 1.00 1.35 C ATOM 1733 CD2 PHE A 116 -6.866 1.256 4.451 1.00 1.17 C ATOM 1734 CE1 PHE A 116 -9.498 0.474 5.003 1.00 1.37 C ATOM 1735 CE2 PHE A 116 -7.645 1.999 5.346 1.00 1.18 C ATOM 1736 CZ PHE A 116 -8.960 1.608 5.622 1.00 0.45 C ATOM 0 H PHE A 116 -5.198 -1.469 0.902 1.00 0.38 H new ATOM 0 HA PHE A 116 -7.908 -0.703 1.164 1.00 0.38 H new ATOM 0 HB2 PHE A 116 -6.708 -1.745 3.013 1.00 0.40 H new ATOM 0 HB3 PHE A 116 -5.497 -0.478 3.030 1.00 0.40 H new ATOM 0 HD1 PHE A 116 -9.140 -1.146 3.630 1.00 1.35 H new ATOM 0 HD2 PHE A 116 -5.851 1.559 4.240 1.00 1.17 H new ATOM 0 HE1 PHE A 116 -10.513 0.173 5.217 1.00 1.37 H new ATOM 0 HE2 PHE A 116 -7.231 2.875 5.824 1.00 1.18 H new ATOM 0 HZ PHE A 116 -9.560 2.182 6.313 1.00 0.45 H new ATOM 1746 N ALA A 117 -5.770 1.822 1.262 1.00 0.35 N ATOM 1747 CA ALA A 117 -5.678 3.304 1.147 1.00 0.34 C ATOM 1748 C ALA A 117 -6.078 3.752 -0.257 1.00 0.34 C ATOM 1749 O ALA A 117 -6.680 4.792 -0.436 1.00 0.34 O ATOM 1750 CB ALA A 117 -4.242 3.748 1.436 1.00 0.37 C ATOM 0 H ALA A 117 -4.874 1.340 1.332 1.00 0.35 H new ATOM 0 HA ALA A 117 -6.357 3.759 1.869 1.00 0.34 H new ATOM 0 HB1 ALA A 117 -4.173 4.833 1.352 1.00 0.37 H new ATOM 0 HB2 ALA A 117 -3.963 3.443 2.445 1.00 0.37 H new ATOM 0 HB3 ALA A 117 -3.566 3.285 0.717 1.00 0.37 H new ATOM 1756 N SER A 118 -5.748 2.984 -1.257 1.00 0.35 N ATOM 1757 CA SER A 118 -6.113 3.383 -2.641 1.00 0.37 C ATOM 1758 C SER A 118 -7.608 3.705 -2.707 1.00 0.36 C ATOM 1759 O SER A 118 -8.033 4.575 -3.434 1.00 0.36 O ATOM 1760 CB SER A 118 -5.792 2.240 -3.607 1.00 0.42 C ATOM 1761 OG SER A 118 -4.381 2.114 -3.734 1.00 1.25 O ATOM 0 H SER A 118 -5.244 2.101 -1.175 1.00 0.35 H new ATOM 0 HA SER A 118 -5.541 4.267 -2.923 1.00 0.37 H new ATOM 0 HB2 SER A 118 -6.220 1.307 -3.240 1.00 0.42 H new ATOM 0 HB3 SER A 118 -6.240 2.435 -4.581 1.00 0.42 H new ATOM 0 HG SER A 118 -4.072 1.347 -3.208 1.00 1.25 H new ATOM 1767 N LYS A 119 -8.407 3.015 -1.934 1.00 0.37 N ATOM 1768 CA LYS A 119 -9.876 3.286 -1.937 1.00 0.39 C ATOM 1769 C LYS A 119 -10.170 4.563 -1.139 1.00 0.36 C ATOM 1770 O LYS A 119 -10.968 5.383 -1.548 1.00 0.38 O ATOM 1771 CB LYS A 119 -10.615 2.103 -1.307 1.00 0.46 C ATOM 1772 CG LYS A 119 -10.086 0.796 -1.907 1.00 1.29 C ATOM 1773 CD LYS A 119 -10.964 -0.401 -1.462 1.00 1.84 C ATOM 1774 CE LYS A 119 -11.954 -0.771 -2.572 1.00 2.48 C ATOM 1775 NZ LYS A 119 -12.708 0.444 -2.990 1.00 3.36 N ATOM 0 H LYS A 119 -8.105 2.275 -1.300 1.00 0.37 H new ATOM 0 HA LYS A 119 -10.216 3.420 -2.964 1.00 0.39 H new ATOM 0 HB2 LYS A 119 -10.472 2.104 -0.226 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -11.686 2.191 -1.487 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -10.079 0.865 -2.995 1.00 1.29 H new ATOM 0 HG3 LYS A 119 -9.055 0.635 -1.592 1.00 1.29 H new ATOM 0 HD2 LYS A 119 -10.332 -1.258 -1.227 1.00 1.84 H new ATOM 0 HD3 LYS A 119 -11.506 -0.146 -0.551 1.00 1.84 H new ATOM 0 HE2 LYS A 119 -11.421 -1.192 -3.424 1.00 2.48 H new ATOM 0 HE3 LYS A 119 -12.644 -1.537 -2.218 1.00 2.48 H new ATOM 0 HZ1 LYS A 119 -13.502 0.167 -3.602 1.00 3.36 H new ATOM 0 HZ2 LYS A 119 -13.075 0.932 -2.148 1.00 3.36 H new ATOM 0 HZ3 LYS A 119 -12.075 1.083 -3.512 1.00 3.36 H new ATOM 1789 N LEU A 120 -9.533 4.751 -0.016 1.00 0.36 N ATOM 1790 CA LEU A 120 -9.783 5.991 0.782 1.00 0.35 C ATOM 1791 C LEU A 120 -9.620 7.225 -0.119 1.00 0.33 C ATOM 1792 O LEU A 120 -10.476 8.085 -0.174 1.00 0.39 O ATOM 1793 CB LEU A 120 -8.773 6.062 1.950 1.00 0.36 C ATOM 1794 CG LEU A 120 -9.368 5.396 3.211 1.00 0.68 C ATOM 1795 CD1 LEU A 120 -8.243 5.002 4.170 1.00 1.69 C ATOM 1796 CD2 LEU A 120 -10.307 6.376 3.935 1.00 1.28 C ATOM 0 H LEU A 120 -8.853 4.105 0.384 1.00 0.36 H new ATOM 0 HA LEU A 120 -10.797 5.969 1.181 1.00 0.35 H new ATOM 0 HB2 LEU A 120 -7.846 5.563 1.669 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -8.524 7.102 2.162 1.00 0.36 H new ATOM 0 HG LEU A 120 -9.925 4.511 2.904 1.00 0.68 H new ATOM 0 HD11 LEU A 120 -8.669 4.533 5.057 1.00 1.69 H new ATOM 0 HD12 LEU A 120 -7.572 4.300 3.675 1.00 1.69 H new ATOM 0 HD13 LEU A 120 -7.686 5.892 4.462 1.00 1.69 H new ATOM 0 HD21 LEU A 120 -10.720 5.896 4.822 1.00 1.28 H new ATOM 0 HD22 LEU A 120 -9.748 7.264 4.230 1.00 1.28 H new ATOM 0 HD23 LEU A 120 -11.119 6.663 3.266 1.00 1.28 H new ATOM 1808 N VAL A 121 -8.539 7.296 -0.845 1.00 0.33 N ATOM 1809 CA VAL A 121 -8.315 8.445 -1.771 1.00 0.39 C ATOM 1810 C VAL A 121 -9.247 8.310 -2.980 1.00 0.36 C ATOM 1811 O VAL A 121 -10.015 9.210 -3.259 1.00 0.39 O ATOM 1812 CB VAL A 121 -6.821 8.537 -2.183 1.00 0.54 C ATOM 1813 CG1 VAL A 121 -6.110 7.216 -1.887 1.00 0.95 C ATOM 1814 CG2 VAL A 121 -6.679 8.918 -3.666 1.00 1.18 C ATOM 0 H VAL A 121 -7.793 6.601 -0.837 1.00 0.33 H new ATOM 0 HA VAL A 121 -8.554 9.380 -1.263 1.00 0.39 H new ATOM 0 HB VAL A 121 -6.349 9.324 -1.594 1.00 0.54 H new ATOM 0 HG11 VAL A 121 -5.063 7.293 -2.180 1.00 0.95 H new ATOM 0 HG12 VAL A 121 -6.173 7.000 -0.821 1.00 0.95 H new ATOM 0 HG13 VAL A 121 -6.586 6.413 -2.449 1.00 0.95 H new ATOM 0 HG21 VAL A 121 -5.622 8.975 -3.927 1.00 1.18 H new ATOM 0 HG22 VAL A 121 -7.165 8.163 -4.284 1.00 1.18 H new ATOM 0 HG23 VAL A 121 -7.149 9.886 -3.840 1.00 1.18 H new ATOM 1824 N LEU A 122 -9.209 7.230 -3.710 1.00 0.37 N ATOM 1825 CA LEU A 122 -10.129 7.117 -4.881 1.00 0.39 C ATOM 1826 C LEU A 122 -11.554 7.474 -4.437 1.00 0.40 C ATOM 1827 O LEU A 122 -12.258 8.190 -5.120 1.00 0.40 O ATOM 1828 CB LEU A 122 -10.080 5.685 -5.445 1.00 0.42 C ATOM 1829 CG LEU A 122 -10.505 5.673 -6.928 1.00 0.72 C ATOM 1830 CD1 LEU A 122 -9.294 5.968 -7.821 1.00 1.15 C ATOM 1831 CD2 LEU A 122 -11.068 4.294 -7.292 1.00 1.24 C ATOM 0 H LEU A 122 -8.593 6.432 -3.553 1.00 0.37 H new ATOM 0 HA LEU A 122 -9.818 7.807 -5.666 1.00 0.39 H new ATOM 0 HB2 LEU A 122 -9.071 5.283 -5.346 1.00 0.42 H new ATOM 0 HB3 LEU A 122 -10.739 5.037 -4.867 1.00 0.42 H new ATOM 0 HG LEU A 122 -11.267 6.437 -7.083 1.00 0.72 H new ATOM 0 HD11 LEU A 122 -9.602 5.958 -8.867 1.00 1.15 H new ATOM 0 HD12 LEU A 122 -8.888 6.948 -7.572 1.00 1.15 H new ATOM 0 HD13 LEU A 122 -8.530 5.208 -7.660 1.00 1.15 H new ATOM 0 HD21 LEU A 122 -11.367 4.288 -8.340 1.00 1.24 H new ATOM 0 HD22 LEU A 122 -10.304 3.534 -7.129 1.00 1.24 H new ATOM 0 HD23 LEU A 122 -11.934 4.078 -6.666 1.00 1.24 H new ATOM 1843 N LYS A 123 -11.984 6.989 -3.307 1.00 0.51 N ATOM 1844 CA LYS A 123 -13.360 7.323 -2.839 1.00 0.55 C ATOM 1845 C LYS A 123 -13.470 8.837 -2.618 1.00 0.54 C ATOM 1846 O LYS A 123 -14.516 9.423 -2.815 1.00 0.55 O ATOM 1847 CB LYS A 123 -13.657 6.586 -1.528 1.00 0.59 C ATOM 1848 CG LYS A 123 -13.819 5.077 -1.793 1.00 0.97 C ATOM 1849 CD LYS A 123 -15.265 4.760 -2.196 1.00 1.37 C ATOM 1850 CE LYS A 123 -15.410 3.254 -2.421 1.00 1.74 C ATOM 1851 NZ LYS A 123 -15.132 2.533 -1.147 1.00 2.32 N ATOM 0 H LYS A 123 -11.448 6.380 -2.690 1.00 0.51 H new ATOM 0 HA LYS A 123 -14.083 7.012 -3.593 1.00 0.55 H new ATOM 0 HB2 LYS A 123 -12.848 6.753 -0.817 1.00 0.59 H new ATOM 0 HB3 LYS A 123 -14.566 6.983 -1.076 1.00 0.59 H new ATOM 0 HG2 LYS A 123 -13.137 4.764 -2.584 1.00 0.97 H new ATOM 0 HG3 LYS A 123 -13.551 4.513 -0.900 1.00 0.97 H new ATOM 0 HD2 LYS A 123 -15.952 5.091 -1.417 1.00 1.37 H new ATOM 0 HD3 LYS A 123 -15.528 5.302 -3.104 1.00 1.37 H new ATOM 0 HE2 LYS A 123 -16.416 3.023 -2.770 1.00 1.74 H new ATOM 0 HE3 LYS A 123 -14.720 2.923 -3.197 1.00 1.74 H new ATOM 0 HZ1 LYS A 123 -15.588 1.599 -1.170 1.00 2.32 H new ATOM 0 HZ2 LYS A 123 -14.105 2.414 -1.032 1.00 2.32 H new ATOM 0 HZ3 LYS A 123 -15.508 3.082 -0.348 1.00 2.32 H new ATOM 1865 N ALA A 124 -12.401 9.478 -2.218 1.00 0.52 N ATOM 1866 CA ALA A 124 -12.463 10.954 -1.993 1.00 0.52 C ATOM 1867 C ALA A 124 -12.533 11.665 -3.344 1.00 0.51 C ATOM 1868 O ALA A 124 -13.072 12.746 -3.470 1.00 0.54 O ATOM 1869 CB ALA A 124 -11.234 11.422 -1.219 1.00 0.51 C ATOM 0 H ALA A 124 -11.494 9.047 -2.039 1.00 0.52 H new ATOM 0 HA ALA A 124 -13.351 11.193 -1.408 1.00 0.52 H new ATOM 0 HB1 ALA A 124 -11.291 12.499 -1.062 1.00 0.51 H new ATOM 0 HB2 ALA A 124 -11.197 10.916 -0.254 1.00 0.51 H new ATOM 0 HB3 ALA A 124 -10.334 11.186 -1.787 1.00 0.51 H new ATOM 1875 N LEU A 125 -11.995 11.047 -4.358 1.00 0.47 N ATOM 1876 CA LEU A 125 -12.026 11.654 -5.715 1.00 0.47 C ATOM 1877 C LEU A 125 -13.485 11.798 -6.163 1.00 0.48 C ATOM 1878 O LEU A 125 -13.874 12.795 -6.737 1.00 0.48 O ATOM 1879 CB LEU A 125 -11.273 10.730 -6.699 1.00 0.51 C ATOM 1880 CG LEU A 125 -10.626 11.551 -7.829 1.00 0.49 C ATOM 1881 CD1 LEU A 125 -10.062 10.597 -8.883 1.00 1.10 C ATOM 1882 CD2 LEU A 125 -11.671 12.470 -8.483 1.00 1.21 C ATOM 0 H LEU A 125 -11.532 10.140 -4.303 1.00 0.47 H new ATOM 0 HA LEU A 125 -11.549 12.634 -5.698 1.00 0.47 H new ATOM 0 HB2 LEU A 125 -10.506 10.170 -6.165 1.00 0.51 H new ATOM 0 HB3 LEU A 125 -11.964 10.001 -7.122 1.00 0.51 H new ATOM 0 HG LEU A 125 -9.826 12.163 -7.413 1.00 0.49 H new ATOM 0 HD11 LEU A 125 -9.602 11.173 -9.686 1.00 1.10 H new ATOM 0 HD12 LEU A 125 -9.313 9.951 -8.425 1.00 1.10 H new ATOM 0 HD13 LEU A 125 -10.868 9.986 -9.290 1.00 1.10 H new ATOM 0 HD21 LEU A 125 -11.201 13.045 -9.281 1.00 1.21 H new ATOM 0 HD22 LEU A 125 -12.478 11.866 -8.898 1.00 1.21 H new ATOM 0 HD23 LEU A 125 -12.076 13.151 -7.734 1.00 1.21 H new ATOM 1894 N CYS A 126 -14.286 10.791 -5.936 1.00 0.52 N ATOM 1895 CA CYS A 126 -15.705 10.854 -6.381 1.00 0.57 C ATOM 1896 C CYS A 126 -16.483 11.845 -5.511 1.00 0.57 C ATOM 1897 O CYS A 126 -17.354 12.560 -5.962 1.00 0.68 O ATOM 1898 CB CYS A 126 -16.327 9.444 -6.264 1.00 0.66 C ATOM 1899 SG CYS A 126 -17.020 9.183 -4.606 1.00 1.67 S ATOM 0 H CYS A 126 -14.017 9.929 -5.462 1.00 0.52 H new ATOM 0 HA CYS A 126 -15.752 11.192 -7.416 1.00 0.57 H new ATOM 0 HB2 CYS A 126 -17.109 9.323 -7.014 1.00 0.66 H new ATOM 0 HB3 CYS A 126 -15.569 8.688 -6.470 1.00 0.66 H new ATOM 0 HG CYS A 126 -16.073 9.275 -3.720 1.00 1.67 H new ATOM 1905 N THR A 127 -16.182 11.833 -4.247 1.00 0.57 N ATOM 1906 CA THR A 127 -16.900 12.716 -3.293 1.00 0.60 C ATOM 1907 C THR A 127 -16.727 14.185 -3.684 1.00 0.62 C ATOM 1908 O THR A 127 -17.409 15.027 -3.149 1.00 0.70 O ATOM 1909 CB THR A 127 -16.377 12.473 -1.859 1.00 0.60 C ATOM 1910 OG1 THR A 127 -15.580 11.304 -1.855 1.00 1.14 O ATOM 1911 CG2 THR A 127 -17.546 12.280 -0.890 1.00 1.19 C ATOM 0 H THR A 127 -15.462 11.243 -3.829 1.00 0.57 H new ATOM 0 HA THR A 127 -17.963 12.479 -3.327 1.00 0.60 H new ATOM 0 HB THR A 127 -15.792 13.336 -1.542 1.00 0.60 H new ATOM 0 HG1 THR A 127 -15.507 10.961 -0.940 1.00 1.14 H new ATOM 0 HG21 THR A 127 -17.161 12.110 0.115 1.00 1.19 H new ATOM 0 HG22 THR A 127 -18.172 13.172 -0.893 1.00 1.19 H new ATOM 0 HG23 THR A 127 -18.139 11.420 -1.202 1.00 1.19 H new ATOM 1919 N LYS A 128 -15.818 14.494 -4.593 1.00 0.60 N ATOM 1920 CA LYS A 128 -15.618 15.925 -5.003 1.00 0.70 C ATOM 1921 C LYS A 128 -14.768 16.681 -3.995 1.00 0.61 C ATOM 1922 O LYS A 128 -14.938 17.874 -3.838 1.00 0.60 O ATOM 1923 CB LYS A 128 -16.973 16.654 -5.146 1.00 0.87 C ATOM 1924 CG LYS A 128 -17.964 15.799 -5.985 1.00 1.12 C ATOM 1925 CD LYS A 128 -18.440 16.593 -7.210 1.00 1.43 C ATOM 1926 CE LYS A 128 -19.412 15.745 -8.027 1.00 1.83 C ATOM 1927 NZ LYS A 128 -20.670 15.551 -7.253 1.00 2.47 N ATOM 0 H LYS A 128 -15.213 13.820 -5.062 1.00 0.60 H new ATOM 0 HA LYS A 128 -15.104 15.906 -5.964 1.00 0.70 H new ATOM 0 HB2 LYS A 128 -17.395 16.847 -4.160 1.00 0.87 H new ATOM 0 HB3 LYS A 128 -16.823 17.622 -5.624 1.00 0.87 H new ATOM 0 HG2 LYS A 128 -17.479 14.877 -6.306 1.00 1.12 H new ATOM 0 HG3 LYS A 128 -18.819 15.514 -5.372 1.00 1.12 H new ATOM 0 HD2 LYS A 128 -18.926 17.515 -6.891 1.00 1.43 H new ATOM 0 HD3 LYS A 128 -17.586 16.879 -7.825 1.00 1.43 H new ATOM 0 HE2 LYS A 128 -19.628 16.234 -8.977 1.00 1.83 H new ATOM 0 HE3 LYS A 128 -18.963 14.780 -8.260 1.00 1.83 H new ATOM 0 HZ1 LYS A 128 -21.430 15.251 -7.896 1.00 2.47 H new ATOM 0 HZ2 LYS A 128 -20.522 14.821 -6.527 1.00 2.47 H new ATOM 0 HZ3 LYS A 128 -20.937 16.446 -6.795 1.00 2.47 H new ATOM 1941 N VAL A 129 -13.839 16.033 -3.312 1.00 0.60 N ATOM 1942 CA VAL A 129 -12.974 16.780 -2.336 1.00 0.53 C ATOM 1943 C VAL A 129 -11.502 16.407 -2.606 1.00 0.53 C ATOM 1944 O VAL A 129 -10.938 15.609 -1.884 1.00 0.56 O ATOM 1945 CB VAL A 129 -13.353 16.380 -0.912 1.00 0.57 C ATOM 1946 CG1 VAL A 129 -12.727 17.352 0.084 1.00 1.40 C ATOM 1947 CG2 VAL A 129 -14.875 16.393 -0.769 1.00 1.22 C ATOM 0 H VAL A 129 -13.647 15.034 -3.389 1.00 0.60 H new ATOM 0 HA VAL A 129 -13.114 17.855 -2.452 1.00 0.53 H new ATOM 0 HB VAL A 129 -12.980 15.377 -0.706 1.00 0.57 H new ATOM 0 HG11 VAL A 129 -13.001 17.061 1.098 1.00 1.40 H new ATOM 0 HG12 VAL A 129 -11.642 17.330 -0.019 1.00 1.40 H new ATOM 0 HG13 VAL A 129 -13.090 18.360 -0.115 1.00 1.40 H new ATOM 0 HG21 VAL A 129 -15.147 16.108 0.247 1.00 1.22 H new ATOM 0 HG22 VAL A 129 -15.252 17.394 -0.978 1.00 1.22 H new ATOM 0 HG23 VAL A 129 -15.313 15.686 -1.474 1.00 1.22 H new ATOM 1957 N PRO A 130 -10.920 16.970 -3.651 1.00 0.62 N ATOM 1958 CA PRO A 130 -9.523 16.662 -4.014 1.00 0.73 C ATOM 1959 C PRO A 130 -8.552 17.099 -2.903 1.00 0.65 C ATOM 1960 O PRO A 130 -7.491 16.517 -2.741 1.00 0.64 O ATOM 1961 CB PRO A 130 -9.265 17.445 -5.325 1.00 1.00 C ATOM 1962 CG PRO A 130 -10.560 18.240 -5.658 1.00 1.00 C ATOM 1963 CD PRO A 130 -11.591 17.941 -4.548 1.00 0.75 C ATOM 0 HA PRO A 130 -9.363 15.592 -4.144 1.00 0.73 H new ATOM 0 HB2 PRO A 130 -8.419 18.122 -5.207 1.00 1.00 H new ATOM 0 HB3 PRO A 130 -9.015 16.762 -6.137 1.00 1.00 H new ATOM 0 HG2 PRO A 130 -10.351 19.309 -5.708 1.00 1.00 H new ATOM 0 HG3 PRO A 130 -10.950 17.945 -6.632 1.00 1.00 H new ATOM 0 HD2 PRO A 130 -11.867 18.849 -4.011 1.00 0.75 H new ATOM 0 HD3 PRO A 130 -12.509 17.525 -4.964 1.00 0.75 H new ATOM 1971 N GLU A 131 -8.871 18.123 -2.151 1.00 0.73 N ATOM 1972 CA GLU A 131 -7.905 18.556 -1.103 1.00 0.82 C ATOM 1973 C GLU A 131 -7.745 17.419 -0.090 1.00 0.72 C ATOM 1974 O GLU A 131 -6.768 17.335 0.633 1.00 0.73 O ATOM 1975 CB GLU A 131 -8.408 19.823 -0.403 1.00 1.09 C ATOM 1976 CG GLU A 131 -8.413 20.998 -1.381 1.00 1.55 C ATOM 1977 CD GLU A 131 -6.981 21.477 -1.611 1.00 2.17 C ATOM 1978 OE1 GLU A 131 -6.357 21.897 -0.650 1.00 2.86 O ATOM 1979 OE2 GLU A 131 -6.532 21.417 -2.743 1.00 2.52 O ATOM 0 H GLU A 131 -9.734 18.663 -2.215 1.00 0.73 H new ATOM 0 HA GLU A 131 -6.942 18.784 -1.561 1.00 0.82 H new ATOM 0 HB2 GLU A 131 -9.413 19.659 -0.015 1.00 1.09 H new ATOM 0 HB3 GLU A 131 -7.771 20.053 0.451 1.00 1.09 H new ATOM 0 HG2 GLU A 131 -8.863 20.696 -2.327 1.00 1.55 H new ATOM 0 HG3 GLU A 131 -9.021 21.812 -0.985 1.00 1.55 H new ATOM 1986 N LEU A 132 -8.689 16.518 -0.069 1.00 0.71 N ATOM 1987 CA LEU A 132 -8.615 15.355 0.848 1.00 0.69 C ATOM 1988 C LEU A 132 -7.752 14.263 0.202 1.00 0.58 C ATOM 1989 O LEU A 132 -7.115 13.489 0.889 1.00 0.59 O ATOM 1990 CB LEU A 132 -10.031 14.839 1.142 1.00 0.80 C ATOM 1991 CG LEU A 132 -10.041 13.997 2.430 1.00 0.60 C ATOM 1992 CD1 LEU A 132 -10.169 14.905 3.661 1.00 1.11 C ATOM 1993 CD2 LEU A 132 -11.228 13.027 2.404 1.00 0.77 C ATOM 0 H LEU A 132 -9.520 16.543 -0.660 1.00 0.71 H new ATOM 0 HA LEU A 132 -8.158 15.649 1.793 1.00 0.69 H new ATOM 0 HB2 LEU A 132 -10.717 15.680 1.245 1.00 0.80 H new ATOM 0 HB3 LEU A 132 -10.387 14.238 0.305 1.00 0.80 H new ATOM 0 HG LEU A 132 -9.105 13.441 2.487 1.00 0.60 H new ATOM 0 HD11 LEU A 132 -10.175 14.295 4.564 1.00 1.11 H new ATOM 0 HD12 LEU A 132 -9.325 15.594 3.694 1.00 1.11 H new ATOM 0 HD13 LEU A 132 -11.098 15.472 3.600 1.00 1.11 H new ATOM 0 HD21 LEU A 132 -11.232 12.432 3.317 1.00 0.77 H new ATOM 0 HD22 LEU A 132 -12.158 13.592 2.334 1.00 0.77 H new ATOM 0 HD23 LEU A 132 -11.139 12.366 1.542 1.00 0.77 H new ATOM 2005 N ILE A 133 -7.688 14.203 -1.098 1.00 0.52 N ATOM 2006 CA ILE A 133 -6.818 13.179 -1.748 1.00 0.46 C ATOM 2007 C ILE A 133 -5.392 13.358 -1.224 1.00 0.43 C ATOM 2008 O ILE A 133 -4.745 12.425 -0.793 1.00 0.46 O ATOM 2009 CB ILE A 133 -6.824 13.400 -3.264 1.00 0.45 C ATOM 2010 CG1 ILE A 133 -8.212 13.024 -3.807 1.00 0.42 C ATOM 2011 CG2 ILE A 133 -5.757 12.505 -3.917 1.00 0.49 C ATOM 2012 CD1 ILE A 133 -8.341 13.418 -5.285 1.00 1.19 C ATOM 0 H ILE A 133 -8.196 14.814 -1.737 1.00 0.52 H new ATOM 0 HA ILE A 133 -7.183 12.177 -1.524 1.00 0.46 H new ATOM 0 HB ILE A 133 -6.603 14.443 -3.491 1.00 0.45 H new ATOM 0 HG12 ILE A 133 -8.373 11.952 -3.696 1.00 0.42 H new ATOM 0 HG13 ILE A 133 -8.984 13.525 -3.223 1.00 0.42 H new ATOM 0 HG21 ILE A 133 -5.761 12.662 -4.996 1.00 0.49 H new ATOM 0 HG22 ILE A 133 -4.775 12.758 -3.517 1.00 0.49 H new ATOM 0 HG23 ILE A 133 -5.978 11.460 -3.702 1.00 0.49 H new ATOM 0 HD11 ILE A 133 -9.331 13.143 -5.650 1.00 1.19 H new ATOM 0 HD12 ILE A 133 -8.202 14.494 -5.388 1.00 1.19 H new ATOM 0 HD13 ILE A 133 -7.582 12.897 -5.868 1.00 1.19 H new ATOM 2024 N ARG A 134 -4.916 14.577 -1.237 1.00 0.42 N ATOM 2025 CA ARG A 134 -3.546 14.872 -0.724 1.00 0.43 C ATOM 2026 C ARG A 134 -3.488 14.593 0.781 1.00 0.40 C ATOM 2027 O ARG A 134 -2.484 14.139 1.293 1.00 0.39 O ATOM 2028 CB ARG A 134 -3.214 16.345 -0.980 1.00 0.51 C ATOM 2029 CG ARG A 134 -3.231 16.621 -2.486 1.00 1.26 C ATOM 2030 CD ARG A 134 -2.828 18.076 -2.746 1.00 1.57 C ATOM 2031 NE ARG A 134 -1.435 18.300 -2.266 1.00 2.30 N ATOM 2032 CZ ARG A 134 -0.777 19.366 -2.638 1.00 2.86 C ATOM 2033 NH1 ARG A 134 -1.338 20.237 -3.432 1.00 2.98 N ATOM 2034 NH2 ARG A 134 0.442 19.560 -2.215 1.00 3.71 N ATOM 0 H ARG A 134 -5.425 15.389 -1.586 1.00 0.42 H new ATOM 0 HA ARG A 134 -2.823 14.238 -1.238 1.00 0.43 H new ATOM 0 HB2 ARG A 134 -3.938 16.985 -0.475 1.00 0.51 H new ATOM 0 HB3 ARG A 134 -2.234 16.584 -0.567 1.00 0.51 H new ATOM 0 HG2 ARG A 134 -2.545 15.946 -2.997 1.00 1.26 H new ATOM 0 HG3 ARG A 134 -4.225 16.431 -2.890 1.00 1.26 H new ATOM 0 HD2 ARG A 134 -2.897 18.299 -3.811 1.00 1.57 H new ATOM 0 HD3 ARG A 134 -3.513 18.751 -2.234 1.00 1.57 H new ATOM 0 HE ARG A 134 -0.995 17.620 -1.646 1.00 2.30 H new ATOM 0 HH11 ARG A 134 -2.291 20.086 -3.763 1.00 2.98 H new ATOM 0 HH12 ARG A 134 -0.823 21.069 -3.722 1.00 2.98 H new ATOM 0 HH21 ARG A 134 0.881 18.880 -1.594 1.00 3.71 H new ATOM 0 HH22 ARG A 134 0.956 20.392 -2.505 1.00 3.71 H new ATOM 2048 N THR A 135 -4.541 14.869 1.499 1.00 0.41 N ATOM 2049 CA THR A 135 -4.506 14.617 2.968 1.00 0.41 C ATOM 2050 C THR A 135 -4.373 13.117 3.248 1.00 0.39 C ATOM 2051 O THR A 135 -3.814 12.703 4.244 1.00 0.52 O ATOM 2052 CB THR A 135 -5.780 15.155 3.623 1.00 0.42 C ATOM 2053 OG1 THR A 135 -5.870 16.551 3.375 1.00 0.89 O ATOM 2054 CG2 THR A 135 -5.726 14.915 5.133 1.00 0.88 C ATOM 0 H THR A 135 -5.414 15.253 1.139 1.00 0.41 H new ATOM 0 HA THR A 135 -3.642 15.132 3.388 1.00 0.41 H new ATOM 0 HB THR A 135 -6.648 14.643 3.208 1.00 0.42 H new ATOM 0 HG1 THR A 135 -6.169 16.701 2.454 1.00 0.89 H new ATOM 0 HG21 THR A 135 -6.635 15.300 5.595 1.00 0.88 H new ATOM 0 HG22 THR A 135 -5.644 13.846 5.329 1.00 0.88 H new ATOM 0 HG23 THR A 135 -4.861 15.428 5.552 1.00 0.88 H new ATOM 2062 N ILE A 136 -4.876 12.301 2.357 1.00 0.35 N ATOM 2063 CA ILE A 136 -4.787 10.823 2.535 1.00 0.36 C ATOM 2064 C ILE A 136 -3.434 10.329 2.015 1.00 0.35 C ATOM 2065 O ILE A 136 -2.823 9.450 2.589 1.00 0.51 O ATOM 2066 CB ILE A 136 -5.921 10.158 1.748 1.00 0.46 C ATOM 2067 CG1 ILE A 136 -7.264 10.543 2.380 1.00 0.60 C ATOM 2068 CG2 ILE A 136 -5.760 8.635 1.779 1.00 0.94 C ATOM 2069 CD1 ILE A 136 -8.404 10.200 1.419 1.00 0.64 C ATOM 0 H ILE A 136 -5.350 12.601 1.505 1.00 0.35 H new ATOM 0 HA ILE A 136 -4.878 10.568 3.591 1.00 0.36 H new ATOM 0 HB ILE A 136 -5.887 10.496 0.712 1.00 0.46 H new ATOM 0 HG12 ILE A 136 -7.398 10.013 3.323 1.00 0.60 H new ATOM 0 HG13 ILE A 136 -7.277 11.609 2.609 1.00 0.60 H new ATOM 0 HG21 ILE A 136 -6.571 8.172 1.217 1.00 0.94 H new ATOM 0 HG22 ILE A 136 -4.805 8.361 1.331 1.00 0.94 H new ATOM 0 HG23 ILE A 136 -5.789 8.287 2.812 1.00 0.94 H new ATOM 0 HD11 ILE A 136 -9.357 10.475 1.872 1.00 0.64 H new ATOM 0 HD12 ILE A 136 -8.273 10.750 0.487 1.00 0.64 H new ATOM 0 HD13 ILE A 136 -8.396 9.130 1.212 1.00 0.64 H new ATOM 2081 N MET A 137 -2.942 10.912 0.958 1.00 0.35 N ATOM 2082 CA MET A 137 -1.612 10.493 0.436 1.00 0.33 C ATOM 2083 C MET A 137 -0.554 10.956 1.443 1.00 0.31 C ATOM 2084 O MET A 137 0.458 10.322 1.666 1.00 0.34 O ATOM 2085 CB MET A 137 -1.373 11.152 -0.929 1.00 0.36 C ATOM 2086 CG MET A 137 -0.207 10.465 -1.670 1.00 0.67 C ATOM 2087 SD MET A 137 -0.858 9.285 -2.884 1.00 1.13 S ATOM 2088 CE MET A 137 -0.828 10.391 -4.317 1.00 0.67 C ATOM 0 H MET A 137 -3.401 11.658 0.435 1.00 0.35 H new ATOM 0 HA MET A 137 -1.562 9.411 0.310 1.00 0.33 H new ATOM 0 HB2 MET A 137 -2.279 11.091 -1.531 1.00 0.36 H new ATOM 0 HB3 MET A 137 -1.151 12.210 -0.793 1.00 0.36 H new ATOM 0 HG2 MET A 137 0.408 11.213 -2.170 1.00 0.67 H new ATOM 0 HG3 MET A 137 0.435 9.949 -0.956 1.00 0.67 H new ATOM 0 HE1 MET A 137 -1.196 9.859 -5.195 1.00 0.67 H new ATOM 0 HE2 MET A 137 -1.464 11.255 -4.123 1.00 0.67 H new ATOM 0 HE3 MET A 137 0.194 10.725 -4.497 1.00 0.67 H new ATOM 2098 N GLY A 138 -0.828 12.071 2.054 1.00 0.31 N ATOM 2099 CA GLY A 138 0.076 12.664 3.083 1.00 0.33 C ATOM 2100 C GLY A 138 0.151 11.742 4.305 1.00 0.33 C ATOM 2101 O GLY A 138 1.209 11.518 4.856 1.00 0.34 O ATOM 0 H GLY A 138 -1.671 12.617 1.878 1.00 0.31 H new ATOM 0 HA2 GLY A 138 1.072 12.809 2.664 1.00 0.33 H new ATOM 0 HA3 GLY A 138 -0.291 13.646 3.380 1.00 0.33 H new ATOM 2105 N TRP A 139 -0.958 11.205 4.731 1.00 0.34 N ATOM 2106 CA TRP A 139 -0.927 10.293 5.913 1.00 0.37 C ATOM 2107 C TRP A 139 -0.280 8.958 5.529 1.00 0.35 C ATOM 2108 O TRP A 139 0.217 8.237 6.372 1.00 0.39 O ATOM 2109 CB TRP A 139 -2.344 10.036 6.441 1.00 0.43 C ATOM 2110 CG TRP A 139 -2.909 11.253 7.121 1.00 0.46 C ATOM 2111 CD1 TRP A 139 -2.213 12.169 7.849 1.00 0.54 C ATOM 2112 CD2 TRP A 139 -4.301 11.683 7.163 1.00 0.53 C ATOM 2113 NE1 TRP A 139 -3.090 13.127 8.317 1.00 0.57 N ATOM 2114 CE2 TRP A 139 -4.386 12.873 7.923 1.00 0.56 C ATOM 2115 CE3 TRP A 139 -5.488 11.162 6.616 1.00 0.67 C ATOM 2116 CZ2 TRP A 139 -5.602 13.522 8.134 1.00 0.66 C ATOM 2117 CZ3 TRP A 139 -6.715 11.812 6.827 1.00 0.81 C ATOM 2118 CH2 TRP A 139 -6.771 12.990 7.585 1.00 0.78 C ATOM 0 H TRP A 139 -1.878 11.355 4.317 1.00 0.34 H new ATOM 0 HA TRP A 139 -0.341 10.773 6.696 1.00 0.37 H new ATOM 0 HB2 TRP A 139 -2.994 9.745 5.616 1.00 0.43 H new ATOM 0 HB3 TRP A 139 -2.326 9.202 7.142 1.00 0.43 H new ATOM 0 HD1 TRP A 139 -1.149 12.149 8.031 1.00 0.54 H new ATOM 0 HE1 TRP A 139 -2.812 13.927 8.886 1.00 0.57 H new ATOM 0 HE3 TRP A 139 -5.455 10.256 6.030 1.00 0.67 H new ATOM 0 HZ2 TRP A 139 -5.640 14.430 8.718 1.00 0.66 H new ATOM 0 HZ3 TRP A 139 -7.620 11.402 6.403 1.00 0.81 H new ATOM 0 HH2 TRP A 139 -7.717 13.486 7.744 1.00 0.78 H new ATOM 2129 N THR A 140 -0.274 8.621 4.267 1.00 0.34 N ATOM 2130 CA THR A 140 0.351 7.331 3.852 1.00 0.36 C ATOM 2131 C THR A 140 1.873 7.483 3.870 1.00 0.34 C ATOM 2132 O THR A 140 2.564 6.800 4.600 1.00 0.39 O ATOM 2133 CB THR A 140 -0.117 6.954 2.443 1.00 0.38 C ATOM 2134 OG1 THR A 140 -1.529 7.086 2.364 1.00 1.20 O ATOM 2135 CG2 THR A 140 0.279 5.507 2.144 1.00 1.17 C ATOM 0 H THR A 140 -0.671 9.178 3.511 1.00 0.34 H new ATOM 0 HA THR A 140 0.054 6.543 4.544 1.00 0.36 H new ATOM 0 HB THR A 140 0.351 7.615 1.714 1.00 0.38 H new ATOM 0 HG1 THR A 140 -1.767 8.036 2.329 1.00 1.20 H new ATOM 0 HG21 THR A 140 -0.054 5.238 1.141 1.00 1.17 H new ATOM 0 HG22 THR A 140 1.363 5.406 2.206 1.00 1.17 H new ATOM 0 HG23 THR A 140 -0.189 4.844 2.872 1.00 1.17 H new ATOM 2143 N LEU A 141 2.404 8.381 3.082 1.00 0.33 N ATOM 2144 CA LEU A 141 3.881 8.578 3.076 1.00 0.34 C ATOM 2145 C LEU A 141 4.349 8.900 4.500 1.00 0.33 C ATOM 2146 O LEU A 141 5.486 8.671 4.859 1.00 0.33 O ATOM 2147 CB LEU A 141 4.265 9.703 2.108 1.00 0.35 C ATOM 2148 CG LEU A 141 3.961 9.279 0.655 1.00 0.41 C ATOM 2149 CD1 LEU A 141 3.763 10.524 -0.214 1.00 0.99 C ATOM 2150 CD2 LEU A 141 5.127 8.458 0.087 1.00 0.80 C ATOM 0 H LEU A 141 1.881 8.983 2.446 1.00 0.33 H new ATOM 0 HA LEU A 141 4.371 7.665 2.737 1.00 0.34 H new ATOM 0 HB2 LEU A 141 3.712 10.610 2.354 1.00 0.35 H new ATOM 0 HB3 LEU A 141 5.324 9.938 2.213 1.00 0.35 H new ATOM 0 HG LEU A 141 3.055 8.673 0.651 1.00 0.41 H new ATOM 0 HD11 LEU A 141 3.549 10.222 -1.239 1.00 0.99 H new ATOM 0 HD12 LEU A 141 2.929 11.109 0.174 1.00 0.99 H new ATOM 0 HD13 LEU A 141 4.670 11.128 -0.196 1.00 0.99 H new ATOM 0 HD21 LEU A 141 4.900 8.165 -0.938 1.00 0.80 H new ATOM 0 HD22 LEU A 141 6.036 9.060 0.100 1.00 0.80 H new ATOM 0 HD23 LEU A 141 5.274 7.566 0.695 1.00 0.80 H new ATOM 2162 N ASP A 142 3.473 9.419 5.316 1.00 0.36 N ATOM 2163 CA ASP A 142 3.854 9.737 6.724 1.00 0.37 C ATOM 2164 C ASP A 142 4.165 8.431 7.460 1.00 0.37 C ATOM 2165 O ASP A 142 5.278 8.185 7.880 1.00 0.42 O ATOM 2166 CB ASP A 142 2.683 10.431 7.421 1.00 0.37 C ATOM 2167 CG ASP A 142 3.090 10.789 8.853 1.00 0.78 C ATOM 2168 OD1 ASP A 142 3.774 11.785 9.023 1.00 1.59 O ATOM 2169 OD2 ASP A 142 2.714 10.059 9.755 1.00 1.32 O ATOM 0 H ASP A 142 2.508 9.637 5.069 1.00 0.36 H new ATOM 0 HA ASP A 142 4.727 10.390 6.731 1.00 0.37 H new ATOM 0 HB2 ASP A 142 2.401 11.331 6.875 1.00 0.37 H new ATOM 0 HB3 ASP A 142 1.811 9.777 7.431 1.00 0.37 H new ATOM 2174 N PHE A 143 3.175 7.593 7.615 1.00 0.41 N ATOM 2175 CA PHE A 143 3.377 6.293 8.318 1.00 0.43 C ATOM 2176 C PHE A 143 4.465 5.478 7.610 1.00 0.43 C ATOM 2177 O PHE A 143 5.188 4.732 8.241 1.00 0.45 O ATOM 2178 CB PHE A 143 2.047 5.512 8.335 1.00 0.44 C ATOM 2179 CG PHE A 143 1.953 4.666 9.589 1.00 0.47 C ATOM 2180 CD1 PHE A 143 1.648 5.272 10.814 1.00 1.29 C ATOM 2181 CD2 PHE A 143 2.173 3.284 9.527 1.00 1.16 C ATOM 2182 CE1 PHE A 143 1.562 4.497 11.977 1.00 1.35 C ATOM 2183 CE2 PHE A 143 2.087 2.510 10.691 1.00 1.22 C ATOM 2184 CZ PHE A 143 1.781 3.116 11.915 1.00 0.72 C ATOM 0 H PHE A 143 2.225 7.756 7.281 1.00 0.41 H new ATOM 0 HA PHE A 143 3.697 6.478 9.343 1.00 0.43 H new ATOM 0 HB2 PHE A 143 1.208 6.207 8.293 1.00 0.44 H new ATOM 0 HB3 PHE A 143 1.979 4.876 7.452 1.00 0.44 H new ATOM 0 HD1 PHE A 143 1.479 6.338 10.862 1.00 1.29 H new ATOM 0 HD2 PHE A 143 2.409 2.816 8.583 1.00 1.16 H new ATOM 0 HE1 PHE A 143 1.327 4.965 12.922 1.00 1.35 H new ATOM 0 HE2 PHE A 143 2.257 1.444 10.644 1.00 1.22 H new ATOM 0 HZ PHE A 143 1.714 2.518 12.812 1.00 0.72 H new ATOM 2194 N LEU A 144 4.600 5.598 6.317 1.00 0.45 N ATOM 2195 CA LEU A 144 5.660 4.809 5.628 1.00 0.47 C ATOM 2196 C LEU A 144 7.017 5.341 6.102 1.00 0.47 C ATOM 2197 O LEU A 144 7.862 4.596 6.557 1.00 0.49 O ATOM 2198 CB LEU A 144 5.494 4.955 4.104 1.00 0.49 C ATOM 2199 CG LEU A 144 6.638 4.267 3.320 1.00 0.64 C ATOM 2200 CD1 LEU A 144 6.390 2.743 3.212 1.00 1.31 C ATOM 2201 CD2 LEU A 144 6.713 4.892 1.917 1.00 1.01 C ATOM 0 H LEU A 144 4.033 6.197 5.717 1.00 0.45 H new ATOM 0 HA LEU A 144 5.588 3.748 5.866 1.00 0.47 H new ATOM 0 HB2 LEU A 144 4.539 4.524 3.802 1.00 0.49 H new ATOM 0 HB3 LEU A 144 5.463 6.013 3.844 1.00 0.49 H new ATOM 0 HG LEU A 144 7.580 4.415 3.847 1.00 0.64 H new ATOM 0 HD11 LEU A 144 7.206 2.280 2.657 1.00 1.31 H new ATOM 0 HD12 LEU A 144 6.339 2.311 4.211 1.00 1.31 H new ATOM 0 HD13 LEU A 144 5.450 2.563 2.691 1.00 1.31 H new ATOM 0 HD21 LEU A 144 7.515 4.419 1.350 1.00 1.01 H new ATOM 0 HD22 LEU A 144 5.765 4.741 1.400 1.00 1.01 H new ATOM 0 HD23 LEU A 144 6.912 5.960 2.005 1.00 1.01 H new ATOM 2213 N ARG A 145 7.219 6.614 6.013 1.00 0.47 N ATOM 2214 CA ARG A 145 8.501 7.214 6.477 1.00 0.48 C ATOM 2215 C ARG A 145 8.674 6.989 7.991 1.00 0.49 C ATOM 2216 O ARG A 145 9.785 6.902 8.475 1.00 0.50 O ATOM 2217 CB ARG A 145 8.484 8.721 6.137 1.00 0.49 C ATOM 2218 CG ARG A 145 9.317 9.536 7.138 1.00 0.69 C ATOM 2219 CD ARG A 145 9.455 10.970 6.632 1.00 0.68 C ATOM 2220 NE ARG A 145 10.213 11.772 7.633 1.00 1.56 N ATOM 2221 CZ ARG A 145 10.660 12.955 7.318 1.00 2.10 C ATOM 2222 NH1 ARG A 145 10.420 13.450 6.134 1.00 2.12 N ATOM 2223 NH2 ARG A 145 11.342 13.648 8.188 1.00 3.16 N ATOM 0 H ARG A 145 6.546 7.280 5.634 1.00 0.47 H new ATOM 0 HA ARG A 145 9.345 6.740 5.976 1.00 0.48 H new ATOM 0 HB2 ARG A 145 8.874 8.872 5.130 1.00 0.49 H new ATOM 0 HB3 ARG A 145 7.456 9.083 6.138 1.00 0.49 H new ATOM 0 HG2 ARG A 145 8.839 9.528 8.117 1.00 0.69 H new ATOM 0 HG3 ARG A 145 10.302 9.085 7.261 1.00 0.69 H new ATOM 0 HD2 ARG A 145 9.972 10.982 5.672 1.00 0.68 H new ATOM 0 HD3 ARG A 145 8.470 11.407 6.469 1.00 0.68 H new ATOM 0 HE ARG A 145 10.382 11.395 8.566 1.00 1.56 H new ATOM 0 HH11 ARG A 145 9.882 12.911 5.455 1.00 2.12 H new ATOM 0 HH12 ARG A 145 10.770 14.376 5.888 1.00 2.12 H new ATOM 0 HH21 ARG A 145 11.525 13.264 9.115 1.00 3.16 H new ATOM 0 HH22 ARG A 145 11.692 14.574 7.941 1.00 3.16 H new ATOM 2237 N GLU A 146 7.617 6.963 8.758 1.00 0.49 N ATOM 2238 CA GLU A 146 7.802 6.813 10.240 1.00 0.51 C ATOM 2239 C GLU A 146 8.061 5.357 10.643 1.00 0.53 C ATOM 2240 O GLU A 146 8.967 5.126 11.420 1.00 0.55 O ATOM 2241 CB GLU A 146 6.584 7.355 10.993 1.00 0.52 C ATOM 2242 CG GLU A 146 6.553 8.881 10.920 1.00 0.96 C ATOM 2243 CD GLU A 146 5.274 9.392 11.587 1.00 1.48 C ATOM 2244 OE1 GLU A 146 4.222 8.841 11.306 1.00 2.03 O ATOM 2245 OE2 GLU A 146 5.369 10.323 12.369 1.00 2.22 O ATOM 0 H GLU A 146 6.652 7.037 8.437 1.00 0.49 H new ATOM 0 HA GLU A 146 8.682 7.395 10.513 1.00 0.51 H new ATOM 0 HB2 GLU A 146 5.670 6.945 10.564 1.00 0.52 H new ATOM 0 HB3 GLU A 146 6.619 7.034 12.034 1.00 0.52 H new ATOM 0 HG2 GLU A 146 7.428 9.298 11.418 1.00 0.96 H new ATOM 0 HG3 GLU A 146 6.591 9.208 9.881 1.00 0.96 H new ATOM 2252 N ARG A 147 7.291 4.381 10.211 1.00 0.59 N ATOM 2253 CA ARG A 147 7.564 2.976 10.707 1.00 0.62 C ATOM 2254 C ARG A 147 8.070 2.053 9.601 1.00 0.58 C ATOM 2255 O ARG A 147 9.017 1.314 9.782 1.00 0.62 O ATOM 2256 CB ARG A 147 6.275 2.407 11.296 1.00 0.63 C ATOM 2257 CG ARG A 147 5.828 3.267 12.515 1.00 0.73 C ATOM 2258 CD ARG A 147 5.713 2.394 13.770 1.00 1.11 C ATOM 2259 NE ARG A 147 4.651 1.374 13.557 1.00 1.75 N ATOM 2260 CZ ARG A 147 4.549 0.355 14.364 1.00 2.40 C ATOM 2261 NH1 ARG A 147 5.375 0.229 15.366 1.00 2.71 N ATOM 2262 NH2 ARG A 147 3.619 -0.538 14.168 1.00 3.30 N ATOM 0 H ARG A 147 6.512 4.482 9.561 1.00 0.59 H new ATOM 0 HA ARG A 147 8.349 3.032 11.461 1.00 0.62 H new ATOM 0 HB2 ARG A 147 5.491 2.398 10.539 1.00 0.63 H new ATOM 0 HB3 ARG A 147 6.431 1.374 11.606 1.00 0.63 H new ATOM 0 HG2 ARG A 147 6.547 4.068 12.686 1.00 0.73 H new ATOM 0 HG3 ARG A 147 4.869 3.739 12.303 1.00 0.73 H new ATOM 0 HD2 ARG A 147 6.666 1.907 13.978 1.00 1.11 H new ATOM 0 HD3 ARG A 147 5.474 3.011 14.637 1.00 1.11 H new ATOM 0 HE ARG A 147 4.001 1.472 12.777 1.00 1.75 H new ATOM 0 HH11 ARG A 147 6.102 0.928 15.519 1.00 2.71 H new ATOM 0 HH12 ARG A 147 5.294 -0.569 15.997 1.00 2.71 H new ATOM 0 HH21 ARG A 147 2.973 -0.438 13.385 1.00 3.30 H new ATOM 0 HH22 ARG A 147 3.537 -1.336 14.798 1.00 3.30 H new ATOM 2276 N LEU A 148 7.432 2.064 8.460 1.00 0.53 N ATOM 2277 CA LEU A 148 7.843 1.169 7.344 1.00 0.57 C ATOM 2278 C LEU A 148 9.054 1.731 6.603 1.00 0.67 C ATOM 2279 O LEU A 148 9.232 1.467 5.430 1.00 1.61 O ATOM 2280 CB LEU A 148 6.681 1.070 6.347 1.00 0.59 C ATOM 2281 CG LEU A 148 5.354 0.880 7.094 1.00 0.70 C ATOM 2282 CD1 LEU A 148 4.203 0.824 6.084 1.00 1.29 C ATOM 2283 CD2 LEU A 148 5.403 -0.429 7.891 1.00 1.34 C ATOM 0 H LEU A 148 6.633 2.664 8.254 1.00 0.53 H new ATOM 0 HA LEU A 148 8.102 0.195 7.759 1.00 0.57 H new ATOM 0 HB2 LEU A 148 6.637 1.973 5.738 1.00 0.59 H new ATOM 0 HB3 LEU A 148 6.846 0.234 5.667 1.00 0.59 H new ATOM 0 HG LEU A 148 5.195 1.715 7.776 1.00 0.70 H new ATOM 0 HD11 LEU A 148 3.260 0.689 6.614 1.00 1.29 H new ATOM 0 HD12 LEU A 148 4.171 1.754 5.517 1.00 1.29 H new ATOM 0 HD13 LEU A 148 4.358 -0.011 5.401 1.00 1.29 H new ATOM 0 HD21 LEU A 148 4.462 -0.567 8.423 1.00 1.34 H new ATOM 0 HD22 LEU A 148 5.560 -1.265 7.209 1.00 1.34 H new ATOM 0 HD23 LEU A 148 6.222 -0.388 8.609 1.00 1.34 H new ATOM 2295 N LEU A 149 9.904 2.471 7.268 1.00 0.67 N ATOM 2296 CA LEU A 149 11.121 3.010 6.581 1.00 0.57 C ATOM 2297 C LEU A 149 12.314 2.159 7.016 1.00 0.56 C ATOM 2298 O LEU A 149 13.099 1.712 6.204 1.00 0.58 O ATOM 2299 CB LEU A 149 11.336 4.494 6.952 1.00 0.54 C ATOM 2300 CG LEU A 149 11.851 5.289 5.735 1.00 0.59 C ATOM 2301 CD1 LEU A 149 12.250 6.702 6.183 1.00 0.83 C ATOM 2302 CD2 LEU A 149 13.073 4.585 5.110 1.00 1.21 C ATOM 0 H LEU A 149 9.811 2.725 8.251 1.00 0.67 H new ATOM 0 HA LEU A 149 11.003 2.961 5.498 1.00 0.57 H new ATOM 0 HB2 LEU A 149 10.399 4.925 7.305 1.00 0.54 H new ATOM 0 HB3 LEU A 149 12.051 4.570 7.771 1.00 0.54 H new ATOM 0 HG LEU A 149 11.058 5.346 4.989 1.00 0.59 H new ATOM 0 HD11 LEU A 149 12.615 7.266 5.325 1.00 0.83 H new ATOM 0 HD12 LEU A 149 11.383 7.207 6.608 1.00 0.83 H new ATOM 0 HD13 LEU A 149 13.036 6.637 6.935 1.00 0.83 H new ATOM 0 HD21 LEU A 149 13.424 5.159 4.252 1.00 1.21 H new ATOM 0 HD22 LEU A 149 13.870 4.514 5.850 1.00 1.21 H new ATOM 0 HD23 LEU A 149 12.789 3.584 4.785 1.00 1.21 H new ATOM 2314 N GLY A 150 12.445 1.913 8.292 1.00 0.56 N ATOM 2315 CA GLY A 150 13.574 1.069 8.765 1.00 0.58 C ATOM 2316 C GLY A 150 13.326 -0.371 8.315 1.00 0.62 C ATOM 2317 O GLY A 150 14.244 -1.138 8.105 1.00 0.70 O ATOM 0 H GLY A 150 11.822 2.259 9.022 1.00 0.56 H new ATOM 0 HA2 GLY A 150 14.517 1.436 8.359 1.00 0.58 H new ATOM 0 HA3 GLY A 150 13.654 1.118 9.851 1.00 0.58 H new ATOM 2321 N TRP A 151 12.080 -0.746 8.186 1.00 0.63 N ATOM 2322 CA TRP A 151 11.756 -2.139 7.771 1.00 0.69 C ATOM 2323 C TRP A 151 12.189 -2.357 6.318 1.00 0.70 C ATOM 2324 O TRP A 151 12.570 -3.445 5.934 1.00 0.72 O ATOM 2325 CB TRP A 151 10.235 -2.373 7.917 1.00 0.73 C ATOM 2326 CG TRP A 151 9.969 -3.769 8.394 1.00 1.25 C ATOM 2327 CD1 TRP A 151 10.001 -4.877 7.618 1.00 2.17 C ATOM 2328 CD2 TRP A 151 9.640 -4.220 9.739 1.00 1.86 C ATOM 2329 NE1 TRP A 151 9.712 -5.979 8.402 1.00 2.65 N ATOM 2330 CE2 TRP A 151 9.481 -5.625 9.717 1.00 2.43 C ATOM 2331 CE3 TRP A 151 9.466 -3.550 10.963 1.00 2.68 C ATOM 2332 CZ2 TRP A 151 9.161 -6.342 10.871 1.00 3.17 C ATOM 2333 CZ3 TRP A 151 9.143 -4.269 12.126 1.00 3.62 C ATOM 2334 CH2 TRP A 151 8.991 -5.661 12.080 1.00 3.67 C ATOM 0 H TRP A 151 11.273 -0.145 8.351 1.00 0.63 H new ATOM 0 HA TRP A 151 12.289 -2.847 8.406 1.00 0.69 H new ATOM 0 HB2 TRP A 151 9.815 -1.654 8.621 1.00 0.73 H new ATOM 0 HB3 TRP A 151 9.741 -2.208 6.960 1.00 0.73 H new ATOM 0 HD1 TRP A 151 10.217 -4.897 6.560 1.00 2.17 H new ATOM 0 HE1 TRP A 151 9.674 -6.936 8.052 1.00 2.65 H new ATOM 0 HE3 TRP A 151 9.581 -2.477 11.009 1.00 2.68 H new ATOM 0 HZ2 TRP A 151 9.046 -7.415 10.830 1.00 3.17 H new ATOM 0 HZ3 TRP A 151 9.011 -3.745 13.061 1.00 3.62 H new ATOM 0 HH2 TRP A 151 8.743 -6.207 12.978 1.00 3.67 H new ATOM 2345 N ILE A 152 12.130 -1.336 5.503 1.00 0.73 N ATOM 2346 CA ILE A 152 12.537 -1.506 4.079 1.00 0.76 C ATOM 2347 C ILE A 152 14.062 -1.433 3.983 1.00 0.79 C ATOM 2348 O ILE A 152 14.684 -2.158 3.232 1.00 0.89 O ATOM 2349 CB ILE A 152 11.903 -0.404 3.225 1.00 0.78 C ATOM 2350 CG1 ILE A 152 10.380 -0.558 3.263 1.00 0.83 C ATOM 2351 CG2 ILE A 152 12.395 -0.527 1.779 1.00 0.92 C ATOM 2352 CD1 ILE A 152 9.720 0.645 2.586 1.00 0.94 C ATOM 0 H ILE A 152 11.820 -0.399 5.760 1.00 0.73 H new ATOM 0 HA ILE A 152 12.197 -2.474 3.711 1.00 0.76 H new ATOM 0 HB ILE A 152 12.185 0.573 3.617 1.00 0.78 H new ATOM 0 HG12 ILE A 152 10.086 -1.478 2.758 1.00 0.83 H new ATOM 0 HG13 ILE A 152 10.039 -0.638 4.295 1.00 0.83 H new ATOM 0 HG21 ILE A 152 11.943 0.258 1.173 1.00 0.92 H new ATOM 0 HG22 ILE A 152 13.480 -0.425 1.754 1.00 0.92 H new ATOM 0 HG23 ILE A 152 12.113 -1.501 1.380 1.00 0.92 H new ATOM 0 HD11 ILE A 152 8.636 0.530 2.616 1.00 0.94 H new ATOM 0 HD12 ILE A 152 10.003 1.558 3.110 1.00 0.94 H new ATOM 0 HD13 ILE A 152 10.050 0.705 1.549 1.00 0.94 H new ATOM 2364 N GLN A 153 14.672 -0.576 4.757 1.00 0.77 N ATOM 2365 CA GLN A 153 16.158 -0.476 4.728 1.00 0.80 C ATOM 2366 C GLN A 153 16.757 -1.865 4.951 1.00 0.81 C ATOM 2367 O GLN A 153 17.676 -2.260 4.260 1.00 0.82 O ATOM 2368 CB GLN A 153 16.653 0.457 5.839 1.00 0.82 C ATOM 2369 CG GLN A 153 16.338 1.921 5.513 1.00 1.09 C ATOM 2370 CD GLN A 153 16.452 2.756 6.792 1.00 1.98 C ATOM 2371 OE1 GLN A 153 15.584 3.547 7.098 1.00 2.66 O ATOM 2372 NE2 GLN A 153 17.504 2.616 7.553 1.00 2.77 N ATOM 0 H GLN A 153 14.206 0.058 5.406 1.00 0.77 H new ATOM 0 HA GLN A 153 16.465 -0.077 3.761 1.00 0.80 H new ATOM 0 HB2 GLN A 153 16.184 0.183 6.784 1.00 0.82 H new ATOM 0 HB3 GLN A 153 17.728 0.334 5.969 1.00 0.82 H new ATOM 0 HG2 GLN A 153 17.029 2.295 4.757 1.00 1.09 H new ATOM 0 HG3 GLN A 153 15.334 2.006 5.097 1.00 1.09 H new ATOM 0 HE21 GLN A 153 18.234 1.951 7.297 1.00 2.77 H new ATOM 0 HE22 GLN A 153 17.596 3.171 8.404 1.00 2.77 H new ATOM 2381 N ASP A 154 16.283 -2.606 5.916 1.00 0.83 N ATOM 2382 CA ASP A 154 16.889 -3.947 6.152 1.00 0.86 C ATOM 2383 C ASP A 154 16.561 -4.878 4.980 1.00 0.85 C ATOM 2384 O ASP A 154 17.141 -5.937 4.843 1.00 0.94 O ATOM 2385 CB ASP A 154 16.368 -4.544 7.462 1.00 0.90 C ATOM 2386 CG ASP A 154 16.669 -3.592 8.619 1.00 1.28 C ATOM 2387 OD1 ASP A 154 17.804 -3.158 8.723 1.00 1.84 O ATOM 2388 OD2 ASP A 154 15.758 -3.313 9.382 1.00 1.99 O ATOM 0 H ASP A 154 15.518 -2.348 6.540 1.00 0.83 H new ATOM 0 HA ASP A 154 17.971 -3.837 6.228 1.00 0.86 H new ATOM 0 HB2 ASP A 154 15.294 -4.718 7.392 1.00 0.90 H new ATOM 0 HB3 ASP A 154 16.836 -5.511 7.643 1.00 0.90 H new ATOM 2393 N GLN A 155 15.651 -4.492 4.121 1.00 0.79 N ATOM 2394 CA GLN A 155 15.320 -5.367 2.956 1.00 0.79 C ATOM 2395 C GLN A 155 16.326 -5.092 1.836 1.00 0.72 C ATOM 2396 O GLN A 155 16.928 -5.997 1.294 1.00 1.03 O ATOM 2397 CB GLN A 155 13.899 -5.061 2.467 1.00 0.90 C ATOM 2398 CG GLN A 155 13.508 -6.033 1.347 1.00 1.37 C ATOM 2399 CD GLN A 155 13.427 -7.457 1.902 1.00 2.01 C ATOM 2400 OE1 GLN A 155 12.627 -7.737 2.773 1.00 2.72 O ATOM 2401 NE2 GLN A 155 14.225 -8.375 1.430 1.00 2.54 N ATOM 0 H GLN A 155 15.128 -3.618 4.175 1.00 0.79 H new ATOM 0 HA GLN A 155 15.372 -6.415 3.250 1.00 0.79 H new ATOM 0 HB2 GLN A 155 13.195 -5.145 3.295 1.00 0.90 H new ATOM 0 HB3 GLN A 155 13.844 -4.035 2.104 1.00 0.90 H new ATOM 0 HG2 GLN A 155 12.547 -5.744 0.921 1.00 1.37 H new ATOM 0 HG3 GLN A 155 14.241 -5.988 0.541 1.00 1.37 H new ATOM 0 HE21 GLN A 155 14.896 -8.140 0.699 1.00 2.54 H new ATOM 0 HE22 GLN A 155 14.177 -9.327 1.792 1.00 2.54 H new ATOM 2410 N GLY A 156 16.522 -3.838 1.500 1.00 0.63 N ATOM 2411 CA GLY A 156 17.504 -3.474 0.429 1.00 0.72 C ATOM 2412 C GLY A 156 16.848 -2.555 -0.605 1.00 0.87 C ATOM 2413 O GLY A 156 17.470 -2.184 -1.581 1.00 1.38 O ATOM 0 H GLY A 156 16.040 -3.046 1.925 1.00 0.63 H new ATOM 0 HA2 GLY A 156 18.367 -2.977 0.872 1.00 0.72 H new ATOM 0 HA3 GLY A 156 17.872 -4.377 -0.059 1.00 0.72 H new ATOM 2417 N GLY A 157 15.613 -2.156 -0.395 1.00 0.81 N ATOM 2418 CA GLY A 157 14.935 -1.233 -1.367 1.00 1.10 C ATOM 2419 C GLY A 157 13.690 -1.901 -1.961 1.00 0.84 C ATOM 2420 O GLY A 157 13.377 -3.040 -1.677 1.00 0.88 O ATOM 0 H GLY A 157 15.045 -2.429 0.407 1.00 0.81 H new ATOM 0 HA2 GLY A 157 14.654 -0.308 -0.864 1.00 1.10 H new ATOM 0 HA3 GLY A 157 15.627 -0.964 -2.165 1.00 1.10 H new ATOM 2424 N TRP A 158 12.968 -1.169 -2.769 1.00 0.67 N ATOM 2425 CA TRP A 158 11.720 -1.709 -3.387 1.00 0.50 C ATOM 2426 C TRP A 158 12.038 -2.915 -4.275 1.00 0.51 C ATOM 2427 O TRP A 158 11.144 -3.623 -4.700 1.00 0.53 O ATOM 2428 CB TRP A 158 11.055 -0.621 -4.233 1.00 0.51 C ATOM 2429 CG TRP A 158 10.537 0.466 -3.348 1.00 0.46 C ATOM 2430 CD1 TRP A 158 11.034 1.723 -3.287 1.00 0.59 C ATOM 2431 CD2 TRP A 158 9.429 0.418 -2.404 1.00 0.46 C ATOM 2432 NE1 TRP A 158 10.300 2.449 -2.366 1.00 0.55 N ATOM 2433 CE2 TRP A 158 9.301 1.688 -1.794 1.00 0.47 C ATOM 2434 CE3 TRP A 158 8.533 -0.595 -2.021 1.00 0.65 C ATOM 2435 CZ2 TRP A 158 8.318 1.944 -0.838 1.00 0.58 C ATOM 2436 CZ3 TRP A 158 7.542 -0.341 -1.059 1.00 0.84 C ATOM 2437 CH2 TRP A 158 7.435 0.927 -0.469 1.00 0.78 C ATOM 0 H TRP A 158 13.193 -0.209 -3.030 1.00 0.67 H new ATOM 0 HA TRP A 158 11.046 -2.024 -2.591 1.00 0.50 H new ATOM 0 HB2 TRP A 158 11.773 -0.212 -4.944 1.00 0.51 H new ATOM 0 HB3 TRP A 158 10.238 -1.049 -4.814 1.00 0.51 H new ATOM 0 HD1 TRP A 158 11.867 2.098 -3.863 1.00 0.59 H new ATOM 0 HE1 TRP A 158 10.476 3.427 -2.138 1.00 0.55 H new ATOM 0 HE3 TRP A 158 8.607 -1.575 -2.469 1.00 0.65 H new ATOM 0 HZ2 TRP A 158 8.240 2.922 -0.386 1.00 0.58 H new ATOM 0 HZ3 TRP A 158 6.858 -1.126 -0.772 1.00 0.84 H new ATOM 0 HH2 TRP A 158 6.671 1.117 0.270 1.00 0.78 H new ATOM 2448 N ASP A 159 13.281 -3.171 -4.575 1.00 0.50 N ATOM 2449 CA ASP A 159 13.584 -4.341 -5.445 1.00 0.51 C ATOM 2450 C ASP A 159 13.060 -5.608 -4.766 1.00 0.51 C ATOM 2451 O ASP A 159 12.646 -6.548 -5.415 1.00 0.51 O ATOM 2452 CB ASP A 159 15.097 -4.447 -5.661 1.00 0.54 C ATOM 2453 CG ASP A 159 15.392 -5.520 -6.710 1.00 1.66 C ATOM 2454 OD1 ASP A 159 15.430 -5.181 -7.881 1.00 2.37 O ATOM 2455 OD2 ASP A 159 15.577 -6.662 -6.324 1.00 2.46 O ATOM 0 H ASP A 159 14.088 -2.631 -4.262 1.00 0.50 H new ATOM 0 HA ASP A 159 13.101 -4.219 -6.415 1.00 0.51 H new ATOM 0 HB2 ASP A 159 15.496 -3.486 -5.987 1.00 0.54 H new ATOM 0 HB3 ASP A 159 15.592 -4.696 -4.722 1.00 0.54 H new ATOM 2460 N GLY A 160 13.072 -5.635 -3.460 1.00 0.52 N ATOM 2461 CA GLY A 160 12.568 -6.834 -2.730 1.00 0.54 C ATOM 2462 C GLY A 160 11.072 -6.997 -3.009 1.00 0.53 C ATOM 2463 O GLY A 160 10.554 -8.095 -3.053 1.00 0.54 O ATOM 0 H GLY A 160 13.410 -4.877 -2.867 1.00 0.52 H new ATOM 0 HA2 GLY A 160 13.109 -7.724 -3.050 1.00 0.54 H new ATOM 0 HA3 GLY A 160 12.741 -6.723 -1.660 1.00 0.54 H new ATOM 2467 N LEU A 161 10.379 -5.911 -3.215 1.00 0.54 N ATOM 2468 CA LEU A 161 8.922 -5.996 -3.510 1.00 0.56 C ATOM 2469 C LEU A 161 8.716 -6.786 -4.804 1.00 0.56 C ATOM 2470 O LEU A 161 7.862 -7.643 -4.904 1.00 0.62 O ATOM 2471 CB LEU A 161 8.367 -4.577 -3.695 1.00 0.58 C ATOM 2472 CG LEU A 161 6.824 -4.614 -3.775 1.00 0.74 C ATOM 2473 CD1 LEU A 161 6.215 -5.171 -2.468 1.00 1.63 C ATOM 2474 CD2 LEU A 161 6.302 -3.193 -4.010 1.00 1.56 C ATOM 0 H LEU A 161 10.761 -4.966 -3.191 1.00 0.54 H new ATOM 0 HA LEU A 161 8.406 -6.494 -2.689 1.00 0.56 H new ATOM 0 HB2 LEU A 161 8.680 -3.945 -2.864 1.00 0.58 H new ATOM 0 HB3 LEU A 161 8.775 -4.135 -4.604 1.00 0.58 H new ATOM 0 HG LEU A 161 6.533 -5.267 -4.597 1.00 0.74 H new ATOM 0 HD11 LEU A 161 5.128 -5.186 -2.551 1.00 1.63 H new ATOM 0 HD12 LEU A 161 6.580 -6.184 -2.299 1.00 1.63 H new ATOM 0 HD13 LEU A 161 6.506 -4.536 -1.631 1.00 1.63 H new ATOM 0 HD21 LEU A 161 5.214 -3.210 -4.068 1.00 1.56 H new ATOM 0 HD22 LEU A 161 6.612 -2.551 -3.186 1.00 1.56 H new ATOM 0 HD23 LEU A 161 6.709 -2.806 -4.944 1.00 1.56 H new ATOM 2486 N LEU A 162 9.491 -6.464 -5.810 1.00 0.53 N ATOM 2487 CA LEU A 162 9.360 -7.146 -7.129 1.00 0.56 C ATOM 2488 C LEU A 162 10.111 -8.482 -7.106 1.00 0.55 C ATOM 2489 O LEU A 162 9.677 -9.447 -7.703 1.00 0.57 O ATOM 2490 CB LEU A 162 9.935 -6.222 -8.218 1.00 0.61 C ATOM 2491 CG LEU A 162 10.018 -6.940 -9.572 1.00 0.80 C ATOM 2492 CD1 LEU A 162 8.618 -7.371 -10.024 1.00 1.56 C ATOM 2493 CD2 LEU A 162 10.616 -5.982 -10.606 1.00 1.33 C ATOM 0 H LEU A 162 10.217 -5.748 -5.770 1.00 0.53 H new ATOM 0 HA LEU A 162 8.311 -7.351 -7.341 1.00 0.56 H new ATOM 0 HB2 LEU A 162 9.309 -5.334 -8.312 1.00 0.61 H new ATOM 0 HB3 LEU A 162 10.928 -5.882 -7.923 1.00 0.61 H new ATOM 0 HG LEU A 162 10.647 -7.825 -9.476 1.00 0.80 H new ATOM 0 HD11 LEU A 162 8.687 -7.880 -10.986 1.00 1.56 H new ATOM 0 HD12 LEU A 162 8.190 -8.048 -9.285 1.00 1.56 H new ATOM 0 HD13 LEU A 162 7.981 -6.492 -10.123 1.00 1.56 H new ATOM 0 HD21 LEU A 162 10.679 -6.483 -11.572 1.00 1.33 H new ATOM 0 HD22 LEU A 162 9.981 -5.100 -10.695 1.00 1.33 H new ATOM 0 HD23 LEU A 162 11.614 -5.680 -10.288 1.00 1.33 H new ATOM 2505 N SER A 163 11.227 -8.560 -6.437 1.00 0.54 N ATOM 2506 CA SER A 163 11.974 -9.852 -6.408 1.00 0.56 C ATOM 2507 C SER A 163 11.127 -10.916 -5.706 1.00 0.53 C ATOM 2508 O SER A 163 11.283 -12.099 -5.937 1.00 0.60 O ATOM 2509 CB SER A 163 13.294 -9.670 -5.660 1.00 0.63 C ATOM 2510 OG SER A 163 13.997 -8.564 -6.211 1.00 1.32 O ATOM 0 H SER A 163 11.652 -7.795 -5.914 1.00 0.54 H new ATOM 0 HA SER A 163 12.183 -10.170 -7.429 1.00 0.56 H new ATOM 0 HB2 SER A 163 13.104 -9.504 -4.600 1.00 0.63 H new ATOM 0 HB3 SER A 163 13.897 -10.575 -5.738 1.00 0.63 H new ATOM 0 HG SER A 163 13.798 -7.758 -5.690 1.00 1.32 H new ATOM 2516 N TYR A 164 10.220 -10.503 -4.866 1.00 0.59 N ATOM 2517 CA TYR A 164 9.350 -11.488 -4.163 1.00 0.64 C ATOM 2518 C TYR A 164 8.242 -11.924 -5.122 1.00 0.63 C ATOM 2519 O TYR A 164 7.794 -13.053 -5.107 1.00 0.68 O ATOM 2520 CB TYR A 164 8.737 -10.828 -2.923 1.00 0.69 C ATOM 2521 CG TYR A 164 7.831 -11.810 -2.212 1.00 0.72 C ATOM 2522 CD1 TYR A 164 8.374 -12.961 -1.627 1.00 1.34 C ATOM 2523 CD2 TYR A 164 6.451 -11.569 -2.131 1.00 1.50 C ATOM 2524 CE1 TYR A 164 7.540 -13.870 -0.963 1.00 1.35 C ATOM 2525 CE2 TYR A 164 5.619 -12.479 -1.466 1.00 1.57 C ATOM 2526 CZ TYR A 164 6.163 -13.629 -0.883 1.00 0.87 C ATOM 2527 OH TYR A 164 5.343 -14.525 -0.228 1.00 0.97 O ATOM 0 H TYR A 164 10.043 -9.525 -4.635 1.00 0.59 H new ATOM 0 HA TYR A 164 9.932 -12.355 -3.851 1.00 0.64 H new ATOM 0 HB2 TYR A 164 9.527 -10.495 -2.250 1.00 0.69 H new ATOM 0 HB3 TYR A 164 8.171 -9.943 -3.214 1.00 0.69 H new ATOM 0 HD1 TYR A 164 9.436 -13.148 -1.688 1.00 1.34 H new ATOM 0 HD2 TYR A 164 6.030 -10.682 -2.581 1.00 1.50 H new ATOM 0 HE1 TYR A 164 7.960 -14.757 -0.512 1.00 1.35 H new ATOM 0 HE2 TYR A 164 4.557 -12.293 -1.403 1.00 1.57 H new ATOM 0 HH TYR A 164 4.417 -14.207 -0.264 1.00 0.97 H new ATOM 2537 N PHE A 165 7.791 -11.022 -5.948 1.00 0.64 N ATOM 2538 CA PHE A 165 6.705 -11.355 -6.910 1.00 0.72 C ATOM 2539 C PHE A 165 7.258 -12.262 -8.015 1.00 0.82 C ATOM 2540 O PHE A 165 7.277 -11.900 -9.175 1.00 1.56 O ATOM 2541 CB PHE A 165 6.156 -10.058 -7.529 1.00 0.74 C ATOM 2542 CG PHE A 165 5.127 -9.429 -6.607 1.00 0.84 C ATOM 2543 CD1 PHE A 165 5.427 -9.214 -5.254 1.00 1.42 C ATOM 2544 CD2 PHE A 165 3.870 -9.058 -7.108 1.00 1.65 C ATOM 2545 CE1 PHE A 165 4.477 -8.630 -4.409 1.00 1.71 C ATOM 2546 CE2 PHE A 165 2.922 -8.475 -6.260 1.00 1.96 C ATOM 2547 CZ PHE A 165 3.226 -8.261 -4.912 1.00 1.66 C ATOM 0 H PHE A 165 8.131 -10.062 -5.998 1.00 0.64 H new ATOM 0 HA PHE A 165 5.902 -11.875 -6.388 1.00 0.72 H new ATOM 0 HB2 PHE A 165 6.972 -9.358 -7.706 1.00 0.74 H new ATOM 0 HB3 PHE A 165 5.704 -10.272 -8.497 1.00 0.74 H new ATOM 0 HD1 PHE A 165 6.393 -9.500 -4.864 1.00 1.42 H new ATOM 0 HD2 PHE A 165 3.634 -9.223 -8.149 1.00 1.65 H new ATOM 0 HE1 PHE A 165 4.710 -8.464 -3.368 1.00 1.71 H new ATOM 0 HE2 PHE A 165 1.955 -8.190 -6.647 1.00 1.96 H new ATOM 0 HZ PHE A 165 2.494 -7.810 -4.259 1.00 1.66 H new ATOM 2557 N GLY A 166 7.716 -13.434 -7.664 1.00 0.94 N ATOM 2558 CA GLY A 166 8.276 -14.362 -8.693 1.00 1.01 C ATOM 2559 C GLY A 166 8.000 -15.809 -8.281 1.00 1.23 C ATOM 2560 O GLY A 166 7.931 -16.696 -9.110 1.00 1.85 O ATOM 0 H GLY A 166 7.727 -13.790 -6.708 1.00 0.94 H new ATOM 0 HA2 GLY A 166 7.827 -14.158 -9.665 1.00 1.01 H new ATOM 0 HA3 GLY A 166 9.349 -14.201 -8.798 1.00 1.01 H new ATOM 2606 N TRP A 170 0.188 -17.386 -7.305 1.00 1.04 N ATOM 2607 CA TRP A 170 -0.777 -16.409 -7.896 1.00 1.01 C ATOM 2608 C TRP A 170 -2.078 -16.416 -7.084 1.00 0.92 C ATOM 2609 O TRP A 170 -2.432 -15.440 -6.453 1.00 0.95 O ATOM 2610 CB TRP A 170 -1.076 -16.812 -9.350 1.00 1.32 C ATOM 2611 CG TRP A 170 0.011 -16.314 -10.251 1.00 1.70 C ATOM 2612 CD1 TRP A 170 1.335 -16.363 -9.974 1.00 2.30 C ATOM 2613 CD2 TRP A 170 -0.111 -15.692 -11.562 1.00 2.52 C ATOM 2614 NE1 TRP A 170 2.032 -15.809 -11.033 1.00 3.04 N ATOM 2615 CE2 TRP A 170 1.185 -15.381 -12.036 1.00 3.15 C ATOM 2616 CE3 TRP A 170 -1.211 -15.370 -12.377 1.00 3.32 C ATOM 2617 CZ2 TRP A 170 1.384 -14.772 -13.276 1.00 4.11 C ATOM 2618 CZ3 TRP A 170 -1.015 -14.757 -13.626 1.00 4.37 C ATOM 2619 CH2 TRP A 170 0.280 -14.459 -14.074 1.00 4.64 C ATOM 0 HA TRP A 170 -0.345 -15.408 -7.874 1.00 1.01 H new ATOM 0 HB2 TRP A 170 -1.156 -17.896 -9.427 1.00 1.32 H new ATOM 0 HB3 TRP A 170 -2.036 -16.399 -9.661 1.00 1.32 H new ATOM 0 HD1 TRP A 170 1.775 -16.768 -9.075 1.00 2.30 H new ATOM 0 HE1 TRP A 170 3.048 -15.727 -11.068 1.00 3.04 H new ATOM 0 HE3 TRP A 170 -2.212 -15.595 -12.041 1.00 3.32 H new ATOM 0 HZ2 TRP A 170 2.383 -14.544 -13.616 1.00 4.11 H new ATOM 0 HZ3 TRP A 170 -1.866 -14.514 -14.244 1.00 4.37 H new ATOM 0 HH2 TRP A 170 0.424 -13.988 -15.035 1.00 4.64 H new ATOM 2630 N GLN A 171 -2.793 -17.507 -7.099 1.00 0.88 N ATOM 2631 CA GLN A 171 -4.072 -17.574 -6.334 1.00 0.84 C ATOM 2632 C GLN A 171 -3.771 -17.610 -4.832 1.00 0.75 C ATOM 2633 O GLN A 171 -4.635 -17.351 -4.016 1.00 0.75 O ATOM 2634 CB GLN A 171 -4.839 -18.837 -6.740 1.00 0.88 C ATOM 2635 CG GLN A 171 -6.265 -18.780 -6.190 1.00 1.57 C ATOM 2636 CD GLN A 171 -7.015 -20.052 -6.591 1.00 1.93 C ATOM 2637 OE1 GLN A 171 -8.081 -19.986 -7.171 1.00 2.66 O ATOM 2638 NE2 GLN A 171 -6.499 -21.217 -6.307 1.00 2.34 N ATOM 0 H GLN A 171 -2.547 -18.356 -7.608 1.00 0.88 H new ATOM 0 HA GLN A 171 -4.678 -16.695 -6.556 1.00 0.84 H new ATOM 0 HB2 GLN A 171 -4.862 -18.925 -7.826 1.00 0.88 H new ATOM 0 HB3 GLN A 171 -4.328 -19.721 -6.359 1.00 0.88 H new ATOM 0 HG2 GLN A 171 -6.244 -18.684 -5.104 1.00 1.57 H new ATOM 0 HG3 GLN A 171 -6.782 -17.902 -6.578 1.00 1.57 H new ATOM 0 HE21 GLN A 171 -5.604 -21.274 -5.820 1.00 2.34 H new ATOM 0 HE22 GLN A 171 -6.990 -22.071 -6.572 1.00 2.34 H new ATOM 2647 N THR A 172 -2.557 -17.900 -4.453 1.00 0.67 N ATOM 2648 CA THR A 172 -2.225 -17.920 -3.001 1.00 0.60 C ATOM 2649 C THR A 172 -2.078 -16.478 -2.512 1.00 0.59 C ATOM 2650 O THR A 172 -2.575 -16.130 -1.457 1.00 0.74 O ATOM 2651 CB THR A 172 -0.918 -18.695 -2.783 1.00 0.59 C ATOM 2652 OG1 THR A 172 -1.187 -20.085 -2.881 1.00 0.81 O ATOM 2653 CG2 THR A 172 -0.337 -18.391 -1.397 1.00 0.92 C ATOM 0 H THR A 172 -1.785 -18.123 -5.081 1.00 0.67 H new ATOM 0 HA THR A 172 -3.018 -18.414 -2.439 1.00 0.60 H new ATOM 0 HB THR A 172 -0.194 -18.393 -3.540 1.00 0.59 H new ATOM 0 HG1 THR A 172 -0.358 -20.589 -2.745 1.00 0.81 H new ATOM 0 HG21 THR A 172 0.589 -18.949 -1.260 1.00 0.92 H new ATOM 0 HG22 THR A 172 -0.133 -17.323 -1.314 1.00 0.92 H new ATOM 0 HG23 THR A 172 -1.054 -18.684 -0.630 1.00 0.92 H new ATOM 2661 N VAL A 173 -1.427 -15.615 -3.251 1.00 0.59 N ATOM 2662 CA VAL A 173 -1.284 -14.200 -2.808 1.00 0.58 C ATOM 2663 C VAL A 173 -2.664 -13.542 -2.727 1.00 0.57 C ATOM 2664 O VAL A 173 -2.935 -12.780 -1.821 1.00 0.60 O ATOM 2665 CB VAL A 173 -0.424 -13.465 -3.852 1.00 0.64 C ATOM 2666 CG1 VAL A 173 -0.442 -11.954 -3.595 1.00 1.13 C ATOM 2667 CG2 VAL A 173 1.018 -13.975 -3.776 1.00 1.01 C ATOM 0 H VAL A 173 -0.988 -15.833 -4.145 1.00 0.59 H new ATOM 0 HA VAL A 173 -0.816 -14.155 -1.824 1.00 0.58 H new ATOM 0 HB VAL A 173 -0.835 -13.659 -4.843 1.00 0.64 H new ATOM 0 HG11 VAL A 173 0.171 -11.450 -4.342 1.00 1.13 H new ATOM 0 HG12 VAL A 173 -1.466 -11.586 -3.658 1.00 1.13 H new ATOM 0 HG13 VAL A 173 -0.044 -11.749 -2.601 1.00 1.13 H new ATOM 0 HG21 VAL A 173 1.627 -13.455 -4.515 1.00 1.01 H new ATOM 0 HG22 VAL A 173 1.418 -13.788 -2.779 1.00 1.01 H new ATOM 0 HG23 VAL A 173 1.036 -15.046 -3.979 1.00 1.01 H new ATOM 2677 N THR A 174 -3.540 -13.821 -3.647 1.00 0.55 N ATOM 2678 CA THR A 174 -4.893 -13.197 -3.585 1.00 0.56 C ATOM 2679 C THR A 174 -5.580 -13.602 -2.276 1.00 0.53 C ATOM 2680 O THR A 174 -6.248 -12.804 -1.642 1.00 0.55 O ATOM 2681 CB THR A 174 -5.734 -13.693 -4.764 1.00 0.59 C ATOM 2682 OG1 THR A 174 -5.814 -15.112 -4.721 1.00 1.37 O ATOM 2683 CG2 THR A 174 -5.086 -13.257 -6.078 1.00 1.27 C ATOM 0 H THR A 174 -3.383 -14.449 -4.435 1.00 0.55 H new ATOM 0 HA THR A 174 -4.796 -12.112 -3.631 1.00 0.56 H new ATOM 0 HB THR A 174 -6.736 -13.268 -4.699 1.00 0.59 H new ATOM 0 HG1 THR A 174 -4.996 -15.474 -4.320 1.00 1.37 H new ATOM 0 HG21 THR A 174 -5.687 -13.612 -6.915 1.00 1.27 H new ATOM 0 HG22 THR A 174 -5.025 -12.169 -6.110 1.00 1.27 H new ATOM 0 HG23 THR A 174 -4.083 -13.679 -6.147 1.00 1.27 H new ATOM 2691 N ILE A 175 -5.417 -14.826 -1.856 1.00 0.51 N ATOM 2692 CA ILE A 175 -6.065 -15.273 -0.590 1.00 0.50 C ATOM 2693 C ILE A 175 -5.228 -14.797 0.599 1.00 0.49 C ATOM 2694 O ILE A 175 -5.685 -14.746 1.724 1.00 0.49 O ATOM 2695 CB ILE A 175 -6.110 -16.799 -0.599 1.00 0.52 C ATOM 2696 CG1 ILE A 175 -6.976 -17.278 -1.766 1.00 0.77 C ATOM 2697 CG2 ILE A 175 -6.676 -17.347 0.714 1.00 0.87 C ATOM 2698 CD1 ILE A 175 -6.758 -18.779 -1.982 1.00 0.89 C ATOM 0 H ILE A 175 -4.863 -15.536 -2.334 1.00 0.51 H new ATOM 0 HA ILE A 175 -7.071 -14.862 -0.508 1.00 0.50 H new ATOM 0 HB ILE A 175 -5.091 -17.169 -0.712 1.00 0.52 H new ATOM 0 HG12 ILE A 175 -8.027 -17.079 -1.558 1.00 0.77 H new ATOM 0 HG13 ILE A 175 -6.720 -16.729 -2.672 1.00 0.77 H new ATOM 0 HG21 ILE A 175 -6.695 -18.436 0.676 1.00 0.87 H new ATOM 0 HG22 ILE A 175 -6.048 -17.024 1.544 1.00 0.87 H new ATOM 0 HG23 ILE A 175 -7.689 -16.972 0.858 1.00 0.87 H new ATOM 0 HD11 ILE A 175 -7.375 -19.120 -2.813 1.00 0.89 H new ATOM 0 HD12 ILE A 175 -5.708 -18.965 -2.209 1.00 0.89 H new ATOM 0 HD13 ILE A 175 -7.036 -19.321 -1.078 1.00 0.89 H new ATOM 2710 N PHE A 176 -3.996 -14.446 0.343 1.00 0.48 N ATOM 2711 CA PHE A 176 -3.095 -13.968 1.429 1.00 0.49 C ATOM 2712 C PHE A 176 -3.473 -12.533 1.809 1.00 0.49 C ATOM 2713 O PHE A 176 -4.054 -12.292 2.844 1.00 0.56 O ATOM 2714 CB PHE A 176 -1.652 -13.985 0.901 1.00 0.51 C ATOM 2715 CG PHE A 176 -0.685 -13.890 2.064 1.00 0.51 C ATOM 2716 CD1 PHE A 176 -0.553 -14.968 2.949 1.00 1.23 C ATOM 2717 CD2 PHE A 176 0.074 -12.729 2.261 1.00 1.41 C ATOM 2718 CE1 PHE A 176 0.336 -14.887 4.027 1.00 1.22 C ATOM 2719 CE2 PHE A 176 0.964 -12.648 3.340 1.00 1.52 C ATOM 2720 CZ PHE A 176 1.094 -13.727 4.223 1.00 0.76 C ATOM 0 H PHE A 176 -3.572 -14.471 -0.584 1.00 0.48 H new ATOM 0 HA PHE A 176 -3.188 -14.610 2.305 1.00 0.49 H new ATOM 0 HB2 PHE A 176 -1.471 -14.900 0.338 1.00 0.51 H new ATOM 0 HB3 PHE A 176 -1.495 -13.152 0.215 1.00 0.51 H new ATOM 0 HD1 PHE A 176 -1.138 -15.863 2.799 1.00 1.23 H new ATOM 0 HD2 PHE A 176 -0.027 -11.896 1.581 1.00 1.41 H new ATOM 0 HE1 PHE A 176 0.437 -15.720 4.707 1.00 1.22 H new ATOM 0 HE2 PHE A 176 1.550 -11.753 3.491 1.00 1.52 H new ATOM 0 HZ PHE A 176 1.779 -13.664 5.055 1.00 0.76 H new ATOM 2730 N VAL A 177 -3.131 -11.578 0.986 1.00 0.46 N ATOM 2731 CA VAL A 177 -3.444 -10.155 1.307 1.00 0.48 C ATOM 2732 C VAL A 177 -4.928 -10.004 1.643 1.00 0.44 C ATOM 2733 O VAL A 177 -5.306 -9.135 2.404 1.00 0.57 O ATOM 2734 CB VAL A 177 -3.103 -9.279 0.096 1.00 0.56 C ATOM 2735 CG1 VAL A 177 -1.639 -9.493 -0.295 1.00 1.20 C ATOM 2736 CG2 VAL A 177 -4.004 -9.659 -1.084 1.00 1.24 C ATOM 0 H VAL A 177 -2.646 -11.723 0.101 1.00 0.46 H new ATOM 0 HA VAL A 177 -2.853 -9.844 2.169 1.00 0.48 H new ATOM 0 HB VAL A 177 -3.263 -8.232 0.353 1.00 0.56 H new ATOM 0 HG11 VAL A 177 -1.398 -8.870 -1.156 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -0.995 -9.221 0.542 1.00 1.20 H new ATOM 0 HG13 VAL A 177 -1.480 -10.541 -0.549 1.00 1.20 H new ATOM 0 HG21 VAL A 177 -3.760 -9.035 -1.944 1.00 1.24 H new ATOM 0 HG22 VAL A 177 -3.846 -10.707 -1.340 1.00 1.24 H new ATOM 0 HG23 VAL A 177 -5.048 -9.506 -0.809 1.00 1.24 H new ATOM 2746 N ALA A 178 -5.775 -10.837 1.108 1.00 0.45 N ATOM 2747 CA ALA A 178 -7.224 -10.715 1.434 1.00 0.43 C ATOM 2748 C ALA A 178 -7.485 -11.270 2.839 1.00 0.40 C ATOM 2749 O ALA A 178 -8.284 -10.744 3.589 1.00 0.40 O ATOM 2750 CB ALA A 178 -8.039 -11.509 0.413 1.00 0.46 C ATOM 0 H ALA A 178 -5.531 -11.590 0.465 1.00 0.45 H new ATOM 0 HA ALA A 178 -7.517 -9.666 1.401 1.00 0.43 H new ATOM 0 HB1 ALA A 178 -9.100 -11.423 0.648 1.00 0.46 H new ATOM 0 HB2 ALA A 178 -7.855 -11.114 -0.586 1.00 0.46 H new ATOM 0 HB3 ALA A 178 -7.744 -12.558 0.448 1.00 0.46 H new ATOM 2756 N GLY A 179 -6.842 -12.351 3.185 1.00 0.41 N ATOM 2757 CA GLY A 179 -7.070 -12.970 4.523 1.00 0.43 C ATOM 2758 C GLY A 179 -6.622 -12.038 5.655 1.00 0.43 C ATOM 2759 O GLY A 179 -7.221 -12.013 6.713 1.00 0.48 O ATOM 0 H GLY A 179 -6.165 -12.835 2.596 1.00 0.41 H new ATOM 0 HA2 GLY A 179 -8.128 -13.206 4.641 1.00 0.43 H new ATOM 0 HA3 GLY A 179 -6.525 -13.911 4.588 1.00 0.43 H new ATOM 2763 N VAL A 180 -5.566 -11.290 5.469 1.00 0.42 N ATOM 2764 CA VAL A 180 -5.095 -10.401 6.572 1.00 0.45 C ATOM 2765 C VAL A 180 -5.938 -9.123 6.654 1.00 0.45 C ATOM 2766 O VAL A 180 -6.250 -8.635 7.726 1.00 0.43 O ATOM 2767 CB VAL A 180 -3.605 -10.051 6.373 1.00 0.49 C ATOM 2768 CG1 VAL A 180 -2.877 -11.263 5.794 1.00 1.31 C ATOM 2769 CG2 VAL A 180 -3.448 -8.866 5.405 1.00 1.41 C ATOM 0 H VAL A 180 -5.015 -11.256 4.611 1.00 0.42 H new ATOM 0 HA VAL A 180 -5.211 -10.938 7.513 1.00 0.45 H new ATOM 0 HB VAL A 180 -3.180 -9.777 7.339 1.00 0.49 H new ATOM 0 HG11 VAL A 180 -1.824 -11.021 5.651 1.00 1.31 H new ATOM 0 HG12 VAL A 180 -2.966 -12.104 6.482 1.00 1.31 H new ATOM 0 HG13 VAL A 180 -3.321 -11.530 4.835 1.00 1.31 H new ATOM 0 HG21 VAL A 180 -2.390 -8.636 5.279 1.00 1.41 H new ATOM 0 HG22 VAL A 180 -3.880 -9.126 4.439 1.00 1.41 H new ATOM 0 HG23 VAL A 180 -3.963 -7.995 5.810 1.00 1.41 H new ATOM 2779 N LEU A 181 -6.291 -8.560 5.526 1.00 0.49 N ATOM 2780 CA LEU A 181 -7.084 -7.302 5.552 1.00 0.50 C ATOM 2781 C LEU A 181 -8.452 -7.579 6.184 1.00 0.49 C ATOM 2782 O LEU A 181 -9.004 -6.767 6.898 1.00 0.51 O ATOM 2783 CB LEU A 181 -7.256 -6.780 4.100 1.00 0.56 C ATOM 2784 CG LEU A 181 -6.662 -5.371 3.951 1.00 0.64 C ATOM 2785 CD1 LEU A 181 -6.502 -5.041 2.467 1.00 1.60 C ATOM 2786 CD2 LEU A 181 -7.590 -4.350 4.614 1.00 1.20 C ATOM 0 H LEU A 181 -6.065 -8.916 4.597 1.00 0.49 H new ATOM 0 HA LEU A 181 -6.569 -6.546 6.144 1.00 0.50 H new ATOM 0 HB2 LEU A 181 -6.766 -7.461 3.404 1.00 0.56 H new ATOM 0 HB3 LEU A 181 -8.314 -6.763 3.838 1.00 0.56 H new ATOM 0 HG LEU A 181 -5.686 -5.333 4.435 1.00 0.64 H new ATOM 0 HD11 LEU A 181 -6.081 -4.041 2.360 1.00 1.60 H new ATOM 0 HD12 LEU A 181 -5.835 -5.768 2.003 1.00 1.60 H new ATOM 0 HD13 LEU A 181 -7.476 -5.078 1.979 1.00 1.60 H new ATOM 0 HD21 LEU A 181 -7.167 -3.351 4.507 1.00 1.20 H new ATOM 0 HD22 LEU A 181 -8.569 -4.383 4.135 1.00 1.20 H new ATOM 0 HD23 LEU A 181 -7.696 -4.588 5.672 1.00 1.20 H new ATOM 2798 N THR A 182 -8.999 -8.731 5.900 1.00 0.49 N ATOM 2799 CA THR A 182 -10.331 -9.088 6.451 1.00 0.51 C ATOM 2800 C THR A 182 -10.230 -9.266 7.963 1.00 0.48 C ATOM 2801 O THR A 182 -11.124 -8.902 8.698 1.00 0.51 O ATOM 2802 CB THR A 182 -10.816 -10.395 5.818 1.00 0.54 C ATOM 2803 OG1 THR A 182 -9.792 -11.375 5.917 1.00 1.16 O ATOM 2804 CG2 THR A 182 -11.157 -10.158 4.346 1.00 1.07 C ATOM 0 H THR A 182 -8.574 -9.442 5.305 1.00 0.49 H new ATOM 0 HA THR A 182 -11.038 -8.290 6.225 1.00 0.51 H new ATOM 0 HB THR A 182 -11.706 -10.743 6.342 1.00 0.54 H new ATOM 0 HG1 THR A 182 -9.204 -11.313 5.136 1.00 1.16 H new ATOM 0 HG21 THR A 182 -11.502 -11.090 3.898 1.00 1.07 H new ATOM 0 HG22 THR A 182 -11.943 -9.407 4.271 1.00 1.07 H new ATOM 0 HG23 THR A 182 -10.269 -9.808 3.819 1.00 1.07 H new ATOM 2812 N ALA A 183 -9.149 -9.827 8.436 1.00 0.45 N ATOM 2813 CA ALA A 183 -9.009 -10.037 9.901 1.00 0.44 C ATOM 2814 C ALA A 183 -9.180 -8.703 10.626 1.00 0.44 C ATOM 2815 O ALA A 183 -9.798 -8.623 11.668 1.00 0.50 O ATOM 2816 CB ALA A 183 -7.624 -10.614 10.204 1.00 0.46 C ATOM 0 H ALA A 183 -8.362 -10.147 7.872 1.00 0.45 H new ATOM 0 HA ALA A 183 -9.773 -10.734 10.243 1.00 0.44 H new ATOM 0 HB1 ALA A 183 -7.521 -10.768 11.278 1.00 0.46 H new ATOM 0 HB2 ALA A 183 -7.506 -11.567 9.688 1.00 0.46 H new ATOM 0 HB3 ALA A 183 -6.857 -9.919 9.862 1.00 0.46 H new ATOM 2822 N SER A 184 -8.628 -7.647 10.081 1.00 0.47 N ATOM 2823 CA SER A 184 -8.752 -6.316 10.740 1.00 0.51 C ATOM 2824 C SER A 184 -10.191 -5.804 10.622 1.00 0.54 C ATOM 2825 O SER A 184 -10.760 -5.297 11.568 1.00 0.56 O ATOM 2826 CB SER A 184 -7.800 -5.327 10.063 1.00 0.62 C ATOM 2827 OG SER A 184 -6.529 -5.942 9.894 1.00 1.55 O ATOM 0 H SER A 184 -8.098 -7.652 9.209 1.00 0.47 H new ATOM 0 HA SER A 184 -8.495 -6.412 11.795 1.00 0.51 H new ATOM 0 HB2 SER A 184 -8.201 -5.022 9.096 1.00 0.62 H new ATOM 0 HB3 SER A 184 -7.703 -4.425 10.667 1.00 0.62 H new ATOM 0 HG SER A 184 -6.197 -6.251 10.763 1.00 1.55 H new ATOM 2833 N LEU A 185 -10.789 -5.949 9.470 1.00 0.58 N ATOM 2834 CA LEU A 185 -12.198 -5.487 9.287 1.00 0.69 C ATOM 2835 C LEU A 185 -13.110 -6.328 10.188 1.00 0.69 C ATOM 2836 O LEU A 185 -14.148 -5.885 10.633 1.00 0.79 O ATOM 2837 CB LEU A 185 -12.596 -5.694 7.809 1.00 0.71 C ATOM 2838 CG LEU A 185 -12.343 -4.433 6.930 1.00 0.79 C ATOM 2839 CD1 LEU A 185 -11.138 -3.605 7.421 1.00 1.62 C ATOM 2840 CD2 LEU A 185 -12.092 -4.897 5.488 1.00 1.18 C ATOM 0 H LEU A 185 -10.362 -6.369 8.644 1.00 0.58 H new ATOM 0 HA LEU A 185 -12.294 -4.433 9.549 1.00 0.69 H new ATOM 0 HB2 LEU A 185 -12.034 -6.534 7.401 1.00 0.71 H new ATOM 0 HB3 LEU A 185 -13.651 -5.961 7.756 1.00 0.71 H new ATOM 0 HG LEU A 185 -13.220 -3.789 6.993 1.00 0.79 H new ATOM 0 HD11 LEU A 185 -11.005 -2.738 6.774 1.00 1.62 H new ATOM 0 HD12 LEU A 185 -11.318 -3.271 8.443 1.00 1.62 H new ATOM 0 HD13 LEU A 185 -10.238 -4.220 7.393 1.00 1.62 H new ATOM 0 HD21 LEU A 185 -11.912 -4.030 4.853 1.00 1.18 H new ATOM 0 HD22 LEU A 185 -11.221 -5.552 5.463 1.00 1.18 H new ATOM 0 HD23 LEU A 185 -12.964 -5.439 5.123 1.00 1.18 H new ATOM 2852 N THR A 186 -12.715 -7.540 10.454 1.00 0.62 N ATOM 2853 CA THR A 186 -13.526 -8.440 11.320 1.00 0.68 C ATOM 2854 C THR A 186 -13.537 -7.939 12.763 1.00 0.62 C ATOM 2855 O THR A 186 -14.521 -8.068 13.465 1.00 0.64 O ATOM 2856 CB THR A 186 -12.890 -9.837 11.315 1.00 0.73 C ATOM 2857 OG1 THR A 186 -12.573 -10.204 9.981 1.00 0.89 O ATOM 2858 CG2 THR A 186 -13.888 -10.849 11.890 1.00 1.00 C ATOM 0 H THR A 186 -11.851 -7.952 10.103 1.00 0.62 H new ATOM 0 HA THR A 186 -14.545 -8.464 10.935 1.00 0.68 H new ATOM 0 HB THR A 186 -11.983 -9.828 11.920 1.00 0.73 H new ATOM 0 HG1 THR A 186 -11.711 -9.811 9.730 1.00 0.89 H new ATOM 0 HG21 THR A 186 -13.440 -11.843 11.888 1.00 1.00 H new ATOM 0 HG22 THR A 186 -14.143 -10.568 12.912 1.00 1.00 H new ATOM 0 HG23 THR A 186 -14.791 -10.857 11.279 1.00 1.00 H new ATOM 2866 N ILE A 187 -12.452 -7.370 13.222 1.00 0.64 N ATOM 2867 CA ILE A 187 -12.399 -6.871 14.625 1.00 0.66 C ATOM 2868 C ILE A 187 -12.893 -5.421 14.681 1.00 0.66 C ATOM 2869 O ILE A 187 -13.688 -5.072 15.532 1.00 0.75 O ATOM 2870 CB ILE A 187 -10.933 -6.960 15.117 1.00 0.72 C ATOM 2871 CG1 ILE A 187 -10.652 -8.372 15.647 1.00 0.88 C ATOM 2872 CG2 ILE A 187 -10.658 -5.939 16.235 1.00 1.57 C ATOM 2873 CD1 ILE A 187 -9.142 -8.558 15.826 1.00 0.87 C ATOM 0 H ILE A 187 -11.598 -7.230 12.682 1.00 0.64 H new ATOM 0 HA ILE A 187 -13.041 -7.475 15.266 1.00 0.66 H new ATOM 0 HB ILE A 187 -10.279 -6.737 14.274 1.00 0.72 H new ATOM 0 HG12 ILE A 187 -11.163 -8.524 16.598 1.00 0.88 H new ATOM 0 HG13 ILE A 187 -11.041 -9.117 14.953 1.00 0.88 H new ATOM 0 HG21 ILE A 187 -9.621 -6.026 16.560 1.00 1.57 H new ATOM 0 HG22 ILE A 187 -10.838 -4.931 15.860 1.00 1.57 H new ATOM 0 HG23 ILE A 187 -11.320 -6.136 17.078 1.00 1.57 H new ATOM 0 HD11 ILE A 187 -8.941 -9.561 16.203 1.00 0.87 H new ATOM 0 HD12 ILE A 187 -8.643 -8.424 14.866 1.00 0.87 H new ATOM 0 HD13 ILE A 187 -8.766 -7.822 16.537 1.00 0.87 H new ATOM 2885 N TRP A 188 -12.366 -4.556 13.853 1.00 0.64 N ATOM 2886 CA TRP A 188 -12.749 -3.114 13.934 1.00 0.70 C ATOM 2887 C TRP A 188 -14.263 -2.964 14.167 1.00 0.81 C ATOM 2888 O TRP A 188 -14.711 -2.044 14.822 1.00 1.06 O ATOM 2889 CB TRP A 188 -12.337 -2.407 12.629 1.00 0.85 C ATOM 2890 CG TRP A 188 -13.041 -1.087 12.495 1.00 0.92 C ATOM 2891 CD1 TRP A 188 -13.805 -0.723 11.438 1.00 1.76 C ATOM 2892 CD2 TRP A 188 -13.068 0.038 13.425 1.00 1.04 C ATOM 2893 NE1 TRP A 188 -14.298 0.549 11.659 1.00 2.01 N ATOM 2894 CE2 TRP A 188 -13.873 1.061 12.868 1.00 1.34 C ATOM 2895 CE3 TRP A 188 -12.480 0.271 14.683 1.00 1.79 C ATOM 2896 CZ2 TRP A 188 -14.087 2.268 13.535 1.00 1.47 C ATOM 2897 CZ3 TRP A 188 -12.694 1.485 15.355 1.00 2.17 C ATOM 2898 CH2 TRP A 188 -13.497 2.480 14.783 1.00 1.71 C ATOM 0 H TRP A 188 -11.688 -4.785 13.126 1.00 0.64 H new ATOM 0 HA TRP A 188 -12.232 -2.655 14.777 1.00 0.70 H new ATOM 0 HB2 TRP A 188 -11.258 -2.252 12.619 1.00 0.85 H new ATOM 0 HB3 TRP A 188 -12.576 -3.041 11.775 1.00 0.85 H new ATOM 0 HD1 TRP A 188 -13.998 -1.328 10.564 1.00 1.76 H new ATOM 0 HE1 TRP A 188 -14.903 1.049 11.007 1.00 2.01 H new ATOM 0 HE3 TRP A 188 -11.860 -0.490 15.134 1.00 1.79 H new ATOM 0 HZ2 TRP A 188 -14.705 3.033 13.089 1.00 1.47 H new ATOM 0 HZ3 TRP A 188 -12.237 1.653 16.319 1.00 2.17 H new ATOM 0 HH2 TRP A 188 -13.660 3.410 15.307 1.00 1.71 H new