USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 560 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 390 HIS : no HE2:sc= -1.52 K(o=-15,f=-16) USER MOD Set 1.2: A 392 MET CE :methyl 154:sc= -3.62 (180deg=-6.58!) USER MOD Set 1.3: A 408 CYS SG : rot 168:sc= -6.71! USER MOD Set 1.4: A 411 CYS SG : rot 180:sc= -2.84 USER MOD Set 2.1: A 373 CYS SG : rot -176:sc= -0.91 USER MOD Set 2.2: A 376 CYS SG : rot 100:sc= -10.3! USER MOD Set 2.3: A 379 ASN : amide:sc=-0.00299 K(o=-66,f=-70!) USER MOD Set 2.4: A 393 CYS SG : rot 116:sc= -22.6! USER MOD Set 2.5: A 396 CYS SG : rot 135:sc= -32.5! USER MOD Single : A 350 SER OG : rot -87:sc= 1.12 USER MOD Single : A 352 HIS : no HE2:sc= -3.38! C(o=-3.4!,f=-4!) USER MOD Single : A 354 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 THR OG1 : rot -169:sc= -0.908 USER MOD Single : A 357 GLN : amide:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 359 GLN : amide:sc= -0.169 K(o=-0.17,f=-2.4!) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 67:sc= 0.0846 USER MOD Single : A 366 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 368 SER OG : rot 61:sc= 1.2 USER MOD Single : A 369 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN :FLIP amide:sc= -5.18! C(o=-6.2!,f=-5.2!) USER MOD Single : A 374 LYS NZ :NH3+ -156:sc= -0.123 (180deg=-0.688) USER MOD Single : A 381 LYS NZ :NH3+ 163:sc= -1.42 (180deg=-2.1!) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 388 CYS SG : rot 175:sc= -6.04! USER MOD Single : A 394 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 180:sc=-0.00671 USER MOD Single : A 401 GLN : amide:sc= -2.63! C(o=-2.6!,f=-5.1!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 413 CYS SG : rot 180:sc= -0.0429 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 32:sc= 0.0717 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 350 -0.201 9.506 -1.367 1.00 4.21 N ATOM 64 CA SER A 350 -1.038 9.995 -0.284 1.00 63.04 C ATOM 65 C SER A 350 -2.379 10.479 -0.838 1.00 53.30 C ATOM 66 O SER A 350 -2.452 10.958 -1.969 1.00 21.02 O ATOM 67 CB SER A 350 -0.343 11.121 0.484 1.00 61.03 C ATOM 68 OG SER A 350 0.800 10.655 1.196 1.00 12.05 O ATOM 0 HA SER A 350 -1.214 9.174 0.411 1.00 63.04 H new ATOM 0 HB2 SER A 350 -0.042 11.903 -0.213 1.00 61.03 H new ATOM 0 HB3 SER A 350 -1.047 11.571 1.184 1.00 61.03 H new ATOM 0 HG SER A 350 0.526 10.331 2.079 1.00 12.05 H new ATOM 74 N ASP A 351 -3.408 10.338 -0.015 1.00 72.15 N ATOM 75 CA ASP A 351 -4.743 10.755 -0.409 1.00 14.04 C ATOM 76 C ASP A 351 -4.994 12.181 0.087 1.00 72.24 C ATOM 77 O ASP A 351 -4.094 12.821 0.628 1.00 51.01 O ATOM 78 CB ASP A 351 -5.808 9.846 0.208 1.00 13.23 C ATOM 79 CG ASP A 351 -7.104 9.730 -0.597 1.00 33.44 C ATOM 80 OD1 ASP A 351 -7.089 9.371 -1.784 1.00 3.34 O ATOM 81 OD2 ASP A 351 -8.178 10.029 0.053 1.00 71.24 O ATOM 0 H ASP A 351 -3.344 9.941 0.922 1.00 72.15 H new ATOM 0 HA ASP A 351 -4.807 10.700 -1.496 1.00 14.04 H new ATOM 0 HB2 ASP A 351 -5.385 8.849 0.333 1.00 13.23 H new ATOM 0 HB3 ASP A 351 -6.049 10.218 1.204 1.00 13.23 H new ATOM 87 N HIS A 352 -6.222 12.636 -0.117 1.00 4.35 N ATOM 88 CA HIS A 352 -6.602 13.975 0.303 1.00 71.44 C ATOM 89 C HIS A 352 -8.017 13.948 0.883 1.00 34.53 C ATOM 90 O HIS A 352 -8.886 13.237 0.379 1.00 2.21 O ATOM 91 CB HIS A 352 -6.454 14.968 -0.851 1.00 44.05 C ATOM 92 CG HIS A 352 -5.063 15.539 -0.995 1.00 40.01 C ATOM 93 ND1 HIS A 352 -4.432 16.241 0.018 1.00 74.35 N ATOM 94 CD2 HIS A 352 -4.189 15.504 -2.042 1.00 1.04 C ATOM 95 CE1 HIS A 352 -3.234 16.607 -0.412 1.00 2.55 C ATOM 96 NE2 HIS A 352 -3.085 16.150 -1.688 1.00 41.50 N ATOM 0 H HIS A 352 -6.966 12.102 -0.567 1.00 4.35 H new ATOM 0 HA HIS A 352 -5.930 14.318 1.090 1.00 71.44 H new ATOM 0 HB2 HIS A 352 -6.730 14.472 -1.781 1.00 44.05 H new ATOM 0 HB3 HIS A 352 -7.159 15.787 -0.705 1.00 44.05 H new ATOM 0 HD1 HIS A 352 -4.823 16.442 0.938 1.00 74.35 H new ATOM 0 HD2 HIS A 352 -4.366 15.031 -2.997 1.00 1.04 H new ATOM 0 HE1 HIS A 352 -2.503 17.169 0.150 1.00 2.55 H new ATOM 104 N ILE A 353 -8.206 14.730 1.936 1.00 44.13 N ATOM 105 CA ILE A 353 -9.501 14.805 2.591 1.00 64.04 C ATOM 106 C ILE A 353 -9.919 16.271 2.718 1.00 3.22 C ATOM 107 O ILE A 353 -9.076 17.167 2.675 1.00 34.40 O ATOM 108 CB ILE A 353 -9.471 14.056 3.924 1.00 24.32 C ATOM 109 CG1 ILE A 353 -9.545 12.543 3.705 1.00 13.21 C ATOM 110 CG2 ILE A 353 -10.575 14.555 4.858 1.00 22.24 C ATOM 111 CD1 ILE A 353 -10.993 12.088 3.509 1.00 10.43 C ATOM 0 H ILE A 353 -7.483 15.318 2.352 1.00 44.13 H new ATOM 0 HA ILE A 353 -10.262 14.307 1.990 1.00 64.04 H new ATOM 0 HB ILE A 353 -8.519 14.264 4.411 1.00 24.32 H new ATOM 0 HG12 ILE A 353 -8.952 12.269 2.832 1.00 13.21 H new ATOM 0 HG13 ILE A 353 -9.110 12.026 4.561 1.00 13.21 H new ATOM 0 HG21 ILE A 353 -10.531 14.006 5.799 1.00 22.24 H new ATOM 0 HG22 ILE A 353 -10.435 15.618 5.052 1.00 22.24 H new ATOM 0 HG23 ILE A 353 -11.547 14.397 4.390 1.00 22.24 H new ATOM 0 HD11 ILE A 353 -11.018 11.009 3.355 1.00 10.43 H new ATOM 0 HD12 ILE A 353 -11.577 12.342 4.394 1.00 10.43 H new ATOM 0 HD13 ILE A 353 -11.417 12.588 2.638 1.00 10.43 H new ATOM 123 N LYS A 354 -11.219 16.471 2.873 1.00 52.11 N ATOM 124 CA LYS A 354 -11.759 17.813 3.007 1.00 13.41 C ATOM 125 C LYS A 354 -12.430 17.954 4.375 1.00 74.02 C ATOM 126 O LYS A 354 -12.884 16.967 4.952 1.00 2.02 O ATOM 127 CB LYS A 354 -12.684 18.139 1.832 1.00 23.11 C ATOM 128 CG LYS A 354 -13.480 19.418 2.099 1.00 31.21 C ATOM 129 CD LYS A 354 -12.573 20.649 2.050 1.00 20.11 C ATOM 130 CE LYS A 354 -12.630 21.317 0.675 1.00 0.51 C ATOM 131 NZ LYS A 354 -11.434 20.965 -0.122 1.00 41.34 N ATOM 0 H LYS A 354 -11.915 15.726 2.909 1.00 52.11 H new ATOM 0 HA LYS A 354 -10.958 18.551 2.966 1.00 13.41 H new ATOM 0 HB2 LYS A 354 -12.095 18.256 0.922 1.00 23.11 H new ATOM 0 HB3 LYS A 354 -13.369 17.309 1.663 1.00 23.11 H new ATOM 0 HG2 LYS A 354 -14.274 19.517 1.359 1.00 31.21 H new ATOM 0 HG3 LYS A 354 -13.960 19.354 3.075 1.00 31.21 H new ATOM 0 HD2 LYS A 354 -12.878 21.361 2.817 1.00 20.11 H new ATOM 0 HD3 LYS A 354 -11.547 20.358 2.275 1.00 20.11 H new ATOM 0 HE2 LYS A 354 -13.531 21.002 0.148 1.00 0.51 H new ATOM 0 HE3 LYS A 354 -12.691 22.399 0.792 1.00 0.51 H new ATOM 0 HZ1 LYS A 354 -11.489 21.427 -1.052 1.00 41.34 H new ATOM 0 HZ2 LYS A 354 -10.579 21.287 0.375 1.00 41.34 H new ATOM 0 HZ3 LYS A 354 -11.393 19.934 -0.249 1.00 41.34 H new ATOM 144 N VAL A 355 -12.473 19.189 4.854 1.00 65.34 N ATOM 145 CA VAL A 355 -13.081 19.471 6.143 1.00 44.23 C ATOM 146 C VAL A 355 -14.439 20.141 5.925 1.00 1.01 C ATOM 147 O VAL A 355 -14.633 20.855 4.943 1.00 44.15 O ATOM 148 CB VAL A 355 -12.129 20.312 6.997 1.00 75.20 C ATOM 149 CG1 VAL A 355 -12.881 21.001 8.137 1.00 11.14 C ATOM 150 CG2 VAL A 355 -10.978 19.460 7.535 1.00 70.10 C ATOM 0 H VAL A 355 -12.097 20.005 4.372 1.00 65.34 H new ATOM 0 HA VAL A 355 -13.259 18.547 6.693 1.00 44.23 H new ATOM 0 HB VAL A 355 -11.702 21.087 6.360 1.00 75.20 H new ATOM 0 HG11 VAL A 355 -12.182 21.592 8.729 1.00 11.14 H new ATOM 0 HG12 VAL A 355 -13.649 21.654 7.724 1.00 11.14 H new ATOM 0 HG13 VAL A 355 -13.348 20.248 8.772 1.00 11.14 H new ATOM 0 HG21 VAL A 355 -10.316 20.082 8.138 1.00 70.10 H new ATOM 0 HG22 VAL A 355 -11.379 18.654 8.149 1.00 70.10 H new ATOM 0 HG23 VAL A 355 -10.418 19.037 6.701 1.00 70.10 H new ATOM 160 N THR A 356 -15.344 19.887 6.858 1.00 34.32 N ATOM 161 CA THR A 356 -16.679 20.456 6.781 1.00 40.21 C ATOM 162 C THR A 356 -16.934 21.381 7.973 1.00 71.22 C ATOM 163 O THR A 356 -16.087 21.510 8.856 1.00 72.35 O ATOM 164 CB THR A 356 -17.680 19.303 6.681 1.00 1.31 C ATOM 165 OG1 THR A 356 -17.284 18.409 7.717 1.00 24.11 O ATOM 166 CG2 THR A 356 -17.507 18.487 5.398 1.00 13.53 C ATOM 0 H THR A 356 -15.179 19.295 7.672 1.00 34.32 H new ATOM 0 HA THR A 356 -16.792 21.081 5.895 1.00 40.21 H new ATOM 0 HB THR A 356 -18.695 19.698 6.725 1.00 1.31 H new ATOM 0 HG1 THR A 356 -17.762 17.560 7.617 1.00 24.11 H new ATOM 0 HG21 THR A 356 -18.241 17.682 5.377 1.00 13.53 H new ATOM 0 HG22 THR A 356 -17.653 19.134 4.533 1.00 13.53 H new ATOM 0 HG23 THR A 356 -16.503 18.063 5.369 1.00 13.53 H new ATOM 174 N GLN A 357 -18.105 22.001 7.960 1.00 61.21 N ATOM 175 CA GLN A 357 -18.482 22.910 9.029 1.00 73.22 C ATOM 176 C GLN A 357 -18.849 22.124 10.289 1.00 24.14 C ATOM 177 O GLN A 357 -18.600 22.581 11.404 1.00 33.21 O ATOM 178 CB GLN A 357 -19.634 23.818 8.595 1.00 53.21 C ATOM 179 CG GLN A 357 -19.120 25.000 7.770 1.00 32.21 C ATOM 180 CD GLN A 357 -18.787 26.192 8.669 1.00 43.20 C ATOM 181 OE1 GLN A 357 -19.622 27.030 8.967 1.00 4.43 O ATOM 182 NE2 GLN A 357 -17.523 26.221 9.083 1.00 50.14 N ATOM 0 H GLN A 357 -18.805 21.892 7.226 1.00 61.21 H new ATOM 0 HA GLN A 357 -17.627 23.546 9.257 1.00 73.22 H new ATOM 0 HB2 GLN A 357 -20.352 23.245 8.008 1.00 53.21 H new ATOM 0 HB3 GLN A 357 -20.163 24.186 9.474 1.00 53.21 H new ATOM 0 HG2 GLN A 357 -18.232 24.701 7.213 1.00 32.21 H new ATOM 0 HG3 GLN A 357 -19.873 25.291 7.037 1.00 32.21 H new ATOM 0 HE21 GLN A 357 -16.875 25.487 8.796 1.00 50.14 H new ATOM 0 HE22 GLN A 357 -17.202 26.977 9.687 1.00 50.14 H new ATOM 191 N GLU A 358 -19.433 20.955 10.071 1.00 54.34 N ATOM 192 CA GLU A 358 -19.836 20.102 11.175 1.00 34.42 C ATOM 193 C GLU A 358 -18.629 19.764 12.053 1.00 75.02 C ATOM 194 O GLU A 358 -18.698 19.871 13.276 1.00 2.22 O ATOM 195 CB GLU A 358 -20.516 18.830 10.665 1.00 34.41 C ATOM 196 CG GLU A 358 -19.512 17.916 9.960 1.00 21.21 C ATOM 197 CD GLU A 358 -20.227 16.792 9.208 1.00 33.41 C ATOM 198 OE1 GLU A 358 -21.041 16.069 9.802 1.00 75.22 O ATOM 199 OE2 GLU A 358 -19.912 16.683 7.962 1.00 73.31 O ATOM 0 H GLU A 358 -19.637 20.579 9.145 1.00 54.34 H new ATOM 0 HA GLU A 358 -20.561 20.644 11.781 1.00 34.42 H new ATOM 0 HB2 GLU A 358 -20.973 18.298 11.499 1.00 34.41 H new ATOM 0 HB3 GLU A 358 -21.319 19.094 9.977 1.00 34.41 H new ATOM 0 HG2 GLU A 358 -18.911 18.500 9.263 1.00 21.21 H new ATOM 0 HG3 GLU A 358 -18.827 17.490 10.692 1.00 21.21 H new ATOM 207 N GLN A 359 -17.552 19.363 11.394 1.00 74.14 N ATOM 208 CA GLN A 359 -16.332 19.009 12.099 1.00 72.24 C ATOM 209 C GLN A 359 -15.804 20.212 12.883 1.00 71.22 C ATOM 210 O GLN A 359 -15.792 20.199 14.113 1.00 61.43 O ATOM 211 CB GLN A 359 -15.273 18.478 11.130 1.00 55.43 C ATOM 212 CG GLN A 359 -15.819 17.309 10.308 1.00 21.42 C ATOM 213 CD GLN A 359 -15.527 15.973 10.995 1.00 64.10 C ATOM 214 OE1 GLN A 359 -14.800 15.894 11.972 1.00 63.33 O ATOM 215 NE2 GLN A 359 -16.132 14.931 10.432 1.00 43.13 N ATOM 0 H GLN A 359 -17.499 19.275 10.379 1.00 74.14 H new ATOM 0 HA GLN A 359 -16.562 18.212 12.806 1.00 72.24 H new ATOM 0 HB2 GLN A 359 -14.952 19.278 10.463 1.00 55.43 H new ATOM 0 HB3 GLN A 359 -14.394 18.156 11.688 1.00 55.43 H new ATOM 0 HG2 GLN A 359 -16.894 17.425 10.173 1.00 21.42 H new ATOM 0 HG3 GLN A 359 -15.370 17.317 9.315 1.00 21.42 H new ATOM 0 HE21 GLN A 359 -16.728 15.067 9.615 1.00 43.13 H new ATOM 0 HE22 GLN A 359 -16.000 13.996 10.817 1.00 43.13 H new ATOM 224 N TYR A 360 -15.381 21.223 12.139 1.00 43.11 N ATOM 225 CA TYR A 360 -14.853 22.431 12.749 1.00 1.52 C ATOM 226 C TYR A 360 -15.724 22.877 13.925 1.00 12.52 C ATOM 227 O TYR A 360 -15.209 23.264 14.973 1.00 45.01 O ATOM 228 CB TYR A 360 -14.896 23.507 11.662 1.00 61.44 C ATOM 229 CG TYR A 360 -14.040 24.737 11.969 1.00 50.03 C ATOM 230 CD1 TYR A 360 -12.800 24.586 12.556 1.00 15.24 C ATOM 231 CD2 TYR A 360 -14.507 25.998 11.658 1.00 75.11 C ATOM 232 CE1 TYR A 360 -11.995 25.744 12.845 1.00 1.25 C ATOM 233 CE2 TYR A 360 -13.702 27.156 11.947 1.00 60.00 C ATOM 234 CZ TYR A 360 -12.485 26.972 12.527 1.00 74.05 C ATOM 235 OH TYR A 360 -11.725 28.066 12.799 1.00 23.35 O ATOM 0 H TYR A 360 -15.393 21.230 11.119 1.00 43.11 H new ATOM 0 HA TYR A 360 -13.846 22.260 13.128 1.00 1.52 H new ATOM 0 HB2 TYR A 360 -14.562 23.071 10.720 1.00 61.44 H new ATOM 0 HB3 TYR A 360 -15.929 23.823 11.519 1.00 61.44 H new ATOM 0 HD1 TYR A 360 -12.434 23.599 12.798 1.00 15.24 H new ATOM 0 HD2 TYR A 360 -15.477 26.116 11.198 1.00 75.11 H new ATOM 0 HE1 TYR A 360 -11.023 25.640 13.304 1.00 1.25 H new ATOM 0 HE2 TYR A 360 -14.056 28.148 11.709 1.00 60.00 H new ATOM 0 HH TYR A 360 -12.202 28.874 12.517 1.00 23.35 H new ATOM 245 N GLU A 361 -17.030 22.809 13.712 1.00 30.12 N ATOM 246 CA GLU A 361 -17.978 23.201 14.741 1.00 22.25 C ATOM 247 C GLU A 361 -17.887 22.249 15.936 1.00 14.43 C ATOM 248 O GLU A 361 -17.917 22.686 17.086 1.00 42.22 O ATOM 249 CB GLU A 361 -19.402 23.249 14.185 1.00 33.25 C ATOM 250 CG GLU A 361 -19.659 24.565 13.449 1.00 73.13 C ATOM 251 CD GLU A 361 -21.156 24.875 13.386 1.00 33.11 C ATOM 252 OE1 GLU A 361 -21.670 25.622 14.231 1.00 15.44 O ATOM 253 OE2 GLU A 361 -21.790 24.309 12.415 1.00 11.42 O ATOM 0 H GLU A 361 -17.454 22.488 12.842 1.00 30.12 H new ATOM 0 HA GLU A 361 -17.722 24.205 15.080 1.00 22.25 H new ATOM 0 HB2 GLU A 361 -19.559 22.411 13.505 1.00 33.25 H new ATOM 0 HB3 GLU A 361 -20.118 23.138 14.999 1.00 33.25 H new ATOM 0 HG2 GLU A 361 -19.137 25.377 13.955 1.00 73.13 H new ATOM 0 HG3 GLU A 361 -19.253 24.506 12.439 1.00 73.13 H new ATOM 261 N LEU A 362 -17.779 20.966 15.624 1.00 52.54 N ATOM 262 CA LEU A 362 -17.684 19.950 16.657 1.00 33.43 C ATOM 263 C LEU A 362 -16.418 20.185 17.484 1.00 54.24 C ATOM 264 O LEU A 362 -16.399 20.032 18.705 1.00 22.23 O ATOM 265 CB LEU A 362 -17.766 18.551 16.042 1.00 1.12 C ATOM 266 CG LEU A 362 -18.140 17.418 17.000 1.00 64.11 C ATOM 267 CD1 LEU A 362 -19.655 17.216 17.045 1.00 34.20 C ATOM 268 CD2 LEU A 362 -17.400 16.128 16.639 1.00 41.34 C ATOM 0 H LEU A 362 -17.755 20.607 14.670 1.00 52.54 H new ATOM 0 HA LEU A 362 -18.530 20.023 17.341 1.00 33.43 H new ATOM 0 HB2 LEU A 362 -18.497 18.573 15.234 1.00 1.12 H new ATOM 0 HB3 LEU A 362 -16.801 18.316 15.592 1.00 1.12 H new ATOM 0 HG LEU A 362 -17.823 17.701 18.004 1.00 64.11 H new ATOM 0 HD11 LEU A 362 -19.894 16.405 17.733 1.00 34.20 H new ATOM 0 HD12 LEU A 362 -20.134 18.134 17.385 1.00 34.20 H new ATOM 0 HD13 LEU A 362 -20.018 16.965 16.048 1.00 34.20 H new ATOM 0 HD21 LEU A 362 -17.684 15.339 17.335 1.00 41.34 H new ATOM 0 HD22 LEU A 362 -17.664 15.829 15.625 1.00 41.34 H new ATOM 0 HD23 LEU A 362 -16.325 16.296 16.700 1.00 41.34 H new ATOM 304 N CYS A 364 -14.936 23.088 17.484 1.00 54.34 N ATOM 305 CA CYS A 364 -14.968 24.481 17.898 1.00 71.25 C ATOM 306 C CYS A 364 -15.209 24.528 19.408 1.00 63.43 C ATOM 307 O CYS A 364 -14.888 25.519 20.060 1.00 4.55 O ATOM 308 CB CYS A 364 -16.024 25.276 17.126 1.00 5.15 C ATOM 309 SG CYS A 364 -15.283 26.001 15.618 1.00 4.14 S ATOM 0 HA CYS A 364 -14.013 24.953 17.669 1.00 71.25 H new ATOM 0 HB2 CYS A 364 -16.855 24.625 16.856 1.00 5.15 H new ATOM 0 HB3 CYS A 364 -16.430 26.066 17.758 1.00 5.15 H new ATOM 0 HG CYS A 364 -14.959 25.050 14.793 1.00 4.14 H new ATOM 315 N GLU A 365 -15.772 23.443 19.919 1.00 62.20 N ATOM 316 CA GLU A 365 -16.059 23.348 21.340 1.00 31.32 C ATOM 317 C GLU A 365 -14.771 23.093 22.126 1.00 34.31 C ATOM 318 O GLU A 365 -14.657 23.492 23.284 1.00 34.20 O ATOM 319 CB GLU A 365 -17.096 22.258 21.618 1.00 30.32 C ATOM 320 CG GLU A 365 -18.515 22.776 21.376 1.00 50.20 C ATOM 321 CD GLU A 365 -18.989 23.643 22.544 1.00 2.13 C ATOM 322 OE1 GLU A 365 -19.567 23.121 23.509 1.00 2.12 O ATOM 323 OE2 GLU A 365 -18.736 24.903 22.426 1.00 34.40 O ATOM 0 H GLU A 365 -16.037 22.622 19.374 1.00 62.20 H new ATOM 0 HA GLU A 365 -16.481 24.297 21.670 1.00 31.32 H new ATOM 0 HB2 GLU A 365 -16.905 21.397 20.977 1.00 30.32 H new ATOM 0 HB3 GLU A 365 -17.001 21.915 22.648 1.00 30.32 H new ATOM 0 HG2 GLU A 365 -18.542 23.356 20.454 1.00 50.20 H new ATOM 0 HG3 GLU A 365 -19.195 21.935 21.243 1.00 50.20 H new ATOM 331 N MET A 366 -13.834 22.429 21.465 1.00 10.43 N ATOM 332 CA MET A 366 -12.559 22.116 22.088 1.00 42.53 C ATOM 333 C MET A 366 -11.416 22.871 21.406 1.00 41.24 C ATOM 334 O MET A 366 -10.256 22.474 21.508 1.00 34.25 O ATOM 335 CB MET A 366 -12.302 20.611 21.997 1.00 33.13 C ATOM 336 CG MET A 366 -12.823 20.044 20.675 1.00 53.42 C ATOM 337 SD MET A 366 -14.559 19.653 20.820 1.00 42.12 S ATOM 338 CE MET A 366 -14.554 17.983 20.189 1.00 42.31 C ATOM 0 H MET A 366 -13.932 22.099 20.505 1.00 10.43 H new ATOM 0 HA MET A 366 -12.601 22.424 23.133 1.00 42.53 H new ATOM 0 HB2 MET A 366 -11.233 20.415 22.085 1.00 33.13 H new ATOM 0 HB3 MET A 366 -12.788 20.104 22.831 1.00 33.13 H new ATOM 0 HG2 MET A 366 -12.670 20.768 19.874 1.00 53.42 H new ATOM 0 HG3 MET A 366 -12.261 19.149 20.407 1.00 53.42 H new ATOM 0 HE1 MET A 366 -15.568 17.583 20.209 1.00 42.31 H new ATOM 0 HE2 MET A 366 -14.184 17.983 19.164 1.00 42.31 H new ATOM 0 HE3 MET A 366 -13.907 17.362 20.808 1.00 42.31 H new ATOM 348 N GLY A 367 -11.783 23.946 20.724 1.00 10.41 N ATOM 349 CA GLY A 367 -10.803 24.760 20.025 1.00 1.32 C ATOM 350 C GLY A 367 -9.715 23.888 19.396 1.00 42.24 C ATOM 351 O GLY A 367 -8.526 24.171 19.541 1.00 75.14 O ATOM 0 H GLY A 367 -12.746 24.272 20.641 1.00 10.41 H new ATOM 0 HA2 GLY A 367 -11.298 25.346 19.250 1.00 1.32 H new ATOM 0 HA3 GLY A 367 -10.351 25.468 20.720 1.00 1.32 H new ATOM 355 N SER A 368 -10.160 22.846 18.710 1.00 62.42 N ATOM 356 CA SER A 368 -9.239 21.930 18.058 1.00 42.45 C ATOM 357 C SER A 368 -9.525 21.882 16.555 1.00 2.53 C ATOM 358 O SER A 368 -10.653 22.121 16.126 1.00 4.45 O ATOM 359 CB SER A 368 -9.336 20.528 18.661 1.00 21.03 C ATOM 360 OG SER A 368 -9.114 20.536 20.069 1.00 13.31 O ATOM 0 H SER A 368 -11.146 22.615 18.591 1.00 62.42 H new ATOM 0 HA SER A 368 -8.224 22.295 18.218 1.00 42.45 H new ATOM 0 HB2 SER A 368 -10.321 20.111 18.452 1.00 21.03 H new ATOM 0 HB3 SER A 368 -8.605 19.876 18.182 1.00 21.03 H new ATOM 0 HG SER A 368 -9.791 21.095 20.504 1.00 13.31 H new ATOM 366 N THR A 369 -8.484 21.572 15.797 1.00 62.02 N ATOM 367 CA THR A 369 -8.609 21.490 14.351 1.00 21.45 C ATOM 368 C THR A 369 -8.781 20.034 13.913 1.00 25.12 C ATOM 369 O THR A 369 -8.437 19.114 14.654 1.00 43.21 O ATOM 370 CB THR A 369 -7.387 22.171 13.732 1.00 72.24 C ATOM 371 OG1 THR A 369 -7.143 23.287 14.583 1.00 24.12 O ATOM 372 CG2 THR A 369 -7.695 22.800 12.372 1.00 41.45 C ATOM 0 H THR A 369 -7.550 21.375 16.156 1.00 62.02 H new ATOM 0 HA THR A 369 -9.501 22.009 14.000 1.00 21.45 H new ATOM 0 HB THR A 369 -6.583 21.444 13.622 1.00 72.24 H new ATOM 0 HG1 THR A 369 -6.365 23.784 14.255 1.00 24.12 H new ATOM 0 HG21 THR A 369 -6.795 23.270 11.976 1.00 41.45 H new ATOM 0 HG22 THR A 369 -8.034 22.027 11.682 1.00 41.45 H new ATOM 0 HG23 THR A 369 -8.476 23.552 12.487 1.00 41.45 H new ATOM 380 N PHE A 370 -9.312 19.870 12.711 1.00 54.32 N ATOM 381 CA PHE A 370 -9.534 18.542 12.165 1.00 41.11 C ATOM 382 C PHE A 370 -8.206 17.827 11.906 1.00 51.33 C ATOM 383 O PHE A 370 -7.903 16.822 12.546 1.00 20.21 O ATOM 384 CB PHE A 370 -10.271 18.722 10.836 1.00 24.21 C ATOM 385 CG PHE A 370 -10.705 17.408 10.183 1.00 51.22 C ATOM 386 CD1 PHE A 370 -9.769 16.539 9.716 1.00 72.21 C ATOM 387 CD2 PHE A 370 -12.027 17.110 10.069 1.00 31.00 C ATOM 388 CE1 PHE A 370 -10.172 15.320 9.110 1.00 74.24 C ATOM 389 CE2 PHE A 370 -12.430 15.891 9.463 1.00 73.13 C ATOM 390 CZ PHE A 370 -11.494 15.022 8.996 1.00 74.53 C ATOM 0 H PHE A 370 -9.595 20.635 12.099 1.00 54.32 H new ATOM 0 HA PHE A 370 -10.108 17.941 12.870 1.00 41.11 H new ATOM 0 HB2 PHE A 370 -11.152 19.342 11.002 1.00 24.21 H new ATOM 0 HB3 PHE A 370 -9.626 19.264 10.145 1.00 24.21 H new ATOM 0 HD1 PHE A 370 -8.719 16.776 9.806 1.00 72.21 H new ATOM 0 HD2 PHE A 370 -12.770 17.801 10.439 1.00 31.00 H new ATOM 0 HE1 PHE A 370 -9.429 14.629 8.740 1.00 74.24 H new ATOM 0 HE2 PHE A 370 -13.480 15.654 9.373 1.00 73.13 H new ATOM 0 HZ PHE A 370 -11.801 14.095 8.534 1.00 74.53 H new ATOM 400 N GLN A 371 -7.450 18.374 10.965 1.00 1.44 N ATOM 401 CA GLN A 371 -6.162 17.802 10.614 1.00 63.33 C ATOM 402 C GLN A 371 -5.295 17.638 11.864 1.00 64.44 C ATOM 403 O GLN A 371 -4.498 16.704 11.953 1.00 52.42 O ATOM 404 CB GLN A 371 -5.451 18.655 9.562 1.00 41.44 C ATOM 405 CG GLN A 371 -5.417 20.126 9.981 1.00 51.52 C ATOM 406 CD GLN A 371 -6.414 20.952 9.165 1.00 10.11 C ATOM 407 OE1 GLN A 371 -7.496 21.321 9.845 1.00 14.43 O flip ATOM 408 NE2 GLN A 371 -6.214 21.235 7.995 1.00 23.25 N flip ATOM 0 H GLN A 371 -7.705 19.207 10.435 1.00 1.44 H new ATOM 0 HA GLN A 371 -6.331 16.816 10.181 1.00 63.33 H new ATOM 0 HB2 GLN A 371 -4.434 18.290 9.420 1.00 41.44 H new ATOM 0 HB3 GLN A 371 -5.962 18.558 8.604 1.00 41.44 H new ATOM 0 HG2 GLN A 371 -5.651 20.211 11.042 1.00 51.52 H new ATOM 0 HG3 GLN A 371 -4.411 20.524 9.844 1.00 51.52 H new ATOM 0 HE21 GLN A 371 -5.361 20.920 7.533 1.00 23.25 H new ATOM 0 HE22 GLN A 371 -6.899 21.787 7.479 1.00 23.25 H new ATOM 417 N LEU A 372 -5.479 18.559 12.798 1.00 62.13 N ATOM 418 CA LEU A 372 -4.723 18.528 14.039 1.00 53.04 C ATOM 419 C LEU A 372 -4.980 17.200 14.754 1.00 65.13 C ATOM 420 O LEU A 372 -6.108 16.719 14.854 1.00 3.04 O ATOM 421 CB LEU A 372 -5.043 19.757 14.891 1.00 11.43 C ATOM 422 CG LEU A 372 -4.576 19.704 16.347 1.00 22.23 C ATOM 423 CD1 LEU A 372 -5.581 18.947 17.218 1.00 3.21 C ATOM 424 CD2 LEU A 372 -3.169 19.112 16.450 1.00 4.10 C ATOM 0 H LEU A 372 -6.141 19.332 12.721 1.00 62.13 H new ATOM 0 HA LEU A 372 -3.653 18.579 13.836 1.00 53.04 H new ATOM 0 HB2 LEU A 372 -4.593 20.630 14.418 1.00 11.43 H new ATOM 0 HB3 LEU A 372 -6.122 19.910 14.882 1.00 11.43 H new ATOM 0 HG LEU A 372 -4.525 20.724 16.727 1.00 22.23 H new ATOM 0 HD11 LEU A 372 -5.225 18.924 18.248 1.00 3.21 H new ATOM 0 HD12 LEU A 372 -6.547 19.450 17.179 1.00 3.21 H new ATOM 0 HD13 LEU A 372 -5.688 17.927 16.848 1.00 3.21 H new ATOM 0 HD21 LEU A 372 -2.861 19.086 17.495 1.00 4.10 H new ATOM 0 HD22 LEU A 372 -3.170 18.100 16.046 1.00 4.10 H new ATOM 0 HD23 LEU A 372 -2.472 19.729 15.882 1.00 4.10 H new ATOM 436 N CYS A 373 -3.896 16.612 15.253 1.00 53.51 N ATOM 437 CA CYS A 373 -3.974 15.341 15.962 1.00 3.43 C ATOM 438 C CYS A 373 -4.511 15.539 17.377 1.00 74.43 C ATOM 439 O CYS A 373 -4.088 16.472 18.057 1.00 62.22 O ATOM 440 CB CYS A 373 -2.596 14.679 16.017 1.00 61.11 C ATOM 441 SG CYS A 373 -2.630 12.936 16.548 1.00 4.54 S ATOM 0 H CYS A 373 -2.954 16.996 15.179 1.00 53.51 H new ATOM 0 HA CYS A 373 -4.661 14.692 15.419 1.00 3.43 H new ATOM 0 HB2 CYS A 373 -2.136 14.738 15.030 1.00 61.11 H new ATOM 0 HB3 CYS A 373 -1.960 15.243 16.699 1.00 61.11 H new ATOM 0 HG CYS A 373 -1.414 12.485 16.635 1.00 4.54 H new ATOM 446 N LYS A 374 -5.423 14.667 17.783 1.00 24.11 N ATOM 447 CA LYS A 374 -6.005 14.758 19.111 1.00 34.21 C ATOM 448 C LYS A 374 -5.206 13.879 20.075 1.00 11.24 C ATOM 449 O LYS A 374 -5.716 13.474 21.119 1.00 5.32 O ATOM 450 CB LYS A 374 -7.497 14.422 19.066 1.00 73.45 C ATOM 451 CG LYS A 374 -8.288 15.531 18.369 1.00 34.04 C ATOM 452 CD LYS A 374 -8.053 15.507 16.858 1.00 62.31 C ATOM 453 CE LYS A 374 -9.055 16.407 16.132 1.00 21.23 C ATOM 454 NZ LYS A 374 -10.436 15.913 16.334 1.00 4.53 N ATOM 0 H LYS A 374 -5.773 13.895 17.216 1.00 24.11 H new ATOM 0 HA LYS A 374 -5.943 15.780 19.485 1.00 34.21 H new ATOM 0 HB2 LYS A 374 -7.645 13.479 18.540 1.00 73.45 H new ATOM 0 HB3 LYS A 374 -7.873 14.284 20.080 1.00 73.45 H new ATOM 0 HG2 LYS A 374 -9.351 15.410 18.577 1.00 34.04 H new ATOM 0 HG3 LYS A 374 -7.993 16.500 18.771 1.00 34.04 H new ATOM 0 HD2 LYS A 374 -7.037 15.837 16.639 1.00 62.31 H new ATOM 0 HD3 LYS A 374 -8.143 14.485 16.489 1.00 62.31 H new ATOM 0 HE2 LYS A 374 -8.970 17.429 16.502 1.00 21.23 H new ATOM 0 HE3 LYS A 374 -8.824 16.434 15.067 1.00 21.23 H new ATOM 0 HZ1 LYS A 374 -11.041 16.245 15.556 1.00 4.53 H new ATOM 0 HZ2 LYS A 374 -10.434 14.873 16.352 1.00 4.53 H new ATOM 0 HZ3 LYS A 374 -10.805 16.274 17.237 1.00 4.53 H new ATOM 467 N ILE A 375 -3.967 13.610 19.691 1.00 0.14 N ATOM 468 CA ILE A 375 -3.092 12.787 20.509 1.00 32.20 C ATOM 469 C ILE A 375 -1.977 13.657 21.091 1.00 43.42 C ATOM 470 O ILE A 375 -1.748 13.654 22.299 1.00 31.14 O ATOM 471 CB ILE A 375 -2.582 11.588 19.708 1.00 61.54 C ATOM 472 CG1 ILE A 375 -3.745 10.788 19.117 1.00 21.42 C ATOM 473 CG2 ILE A 375 -1.658 10.713 20.558 1.00 41.23 C ATOM 474 CD1 ILE A 375 -3.297 9.378 18.724 1.00 53.42 C ATOM 0 H ILE A 375 -3.548 13.947 18.824 1.00 0.14 H new ATOM 0 HA ILE A 375 -3.642 12.368 21.352 1.00 32.20 H new ATOM 0 HB ILE A 375 -1.991 11.963 18.872 1.00 61.54 H new ATOM 0 HG12 ILE A 375 -4.555 10.727 19.844 1.00 21.42 H new ATOM 0 HG13 ILE A 375 -4.140 11.305 18.242 1.00 21.42 H new ATOM 0 HG21 ILE A 375 -1.310 9.868 19.964 1.00 41.23 H new ATOM 0 HG22 ILE A 375 -0.802 11.302 20.889 1.00 41.23 H new ATOM 0 HG23 ILE A 375 -2.203 10.346 21.427 1.00 41.23 H new ATOM 0 HD11 ILE A 375 -4.142 8.831 18.307 1.00 53.42 H new ATOM 0 HD12 ILE A 375 -2.503 9.443 17.980 1.00 53.42 H new ATOM 0 HD13 ILE A 375 -2.926 8.855 19.605 1.00 53.42 H new ATOM 486 N CYS A 376 -1.312 14.382 20.203 1.00 3.33 N ATOM 487 CA CYS A 376 -0.226 15.256 20.614 1.00 45.04 C ATOM 488 C CYS A 376 -0.744 16.695 20.622 1.00 42.54 C ATOM 489 O CYS A 376 -0.240 17.536 21.364 1.00 5.43 O ATOM 490 CB CYS A 376 1.000 15.096 19.712 1.00 24.24 C ATOM 491 SG CYS A 376 1.430 13.365 19.302 1.00 42.01 S ATOM 0 H CYS A 376 -1.504 14.382 19.201 1.00 3.33 H new ATOM 0 HA CYS A 376 0.104 14.984 21.617 1.00 45.04 H new ATOM 0 HB2 CYS A 376 0.825 15.642 18.785 1.00 24.24 H new ATOM 0 HB3 CYS A 376 1.856 15.563 20.200 1.00 24.24 H new ATOM 0 HG CYS A 376 0.980 13.075 18.117 1.00 42.01 H new ATOM 496 N ALA A 377 -1.744 16.935 19.787 1.00 54.01 N ATOM 497 CA ALA A 377 -2.336 18.258 19.688 1.00 15.35 C ATOM 498 C ALA A 377 -1.243 19.279 19.369 1.00 43.24 C ATOM 499 O ALA A 377 -1.349 20.446 19.742 1.00 15.31 O ATOM 500 CB ALA A 377 -3.077 18.584 20.987 1.00 3.42 C ATOM 0 H ALA A 377 -2.159 16.235 19.172 1.00 54.01 H new ATOM 0 HA ALA A 377 -3.065 18.292 18.879 1.00 15.35 H new ATOM 0 HB1 ALA A 377 -3.521 19.577 20.913 1.00 3.42 H new ATOM 0 HB2 ALA A 377 -3.862 17.846 21.153 1.00 3.42 H new ATOM 0 HB3 ALA A 377 -2.376 18.562 21.821 1.00 3.42 H new ATOM 506 N GLU A 378 -0.216 18.802 18.681 1.00 43.54 N ATOM 507 CA GLU A 378 0.897 19.659 18.306 1.00 13.12 C ATOM 508 C GLU A 378 1.082 19.655 16.788 1.00 41.05 C ATOM 509 O GLU A 378 1.343 20.697 16.188 1.00 62.33 O ATOM 510 CB GLU A 378 2.182 19.230 19.017 1.00 41.44 C ATOM 511 CG GLU A 378 3.114 20.424 19.231 1.00 4.42 C ATOM 512 CD GLU A 378 4.343 20.021 20.049 1.00 61.43 C ATOM 513 OE1 GLU A 378 4.318 18.991 20.739 1.00 74.45 O ATOM 514 OE2 GLU A 378 5.351 20.819 19.949 1.00 41.54 O ATOM 0 H GLU A 378 -0.131 17.833 18.373 1.00 43.54 H new ATOM 0 HA GLU A 378 0.669 20.677 18.621 1.00 13.12 H new ATOM 0 HB2 GLU A 378 1.937 18.779 19.978 1.00 41.44 H new ATOM 0 HB3 GLU A 378 2.691 18.468 18.427 1.00 41.44 H new ATOM 0 HG2 GLU A 378 3.429 20.821 18.266 1.00 4.42 H new ATOM 0 HG3 GLU A 378 2.577 21.222 19.744 1.00 4.42 H new ATOM 522 N ASN A 379 0.940 18.472 16.209 1.00 32.52 N ATOM 523 CA ASN A 379 1.088 18.318 14.772 1.00 44.21 C ATOM 524 C ASN A 379 -0.224 17.800 14.180 1.00 10.03 C ATOM 525 O ASN A 379 -1.193 17.583 14.906 1.00 53.11 O ATOM 526 CB ASN A 379 2.189 17.310 14.436 1.00 31.34 C ATOM 527 CG ASN A 379 2.124 16.098 15.368 1.00 65.30 C ATOM 528 OD1 ASN A 379 1.071 15.695 15.833 1.00 10.02 O ATOM 529 ND2 ASN A 379 3.307 15.541 15.613 1.00 30.34 N ATOM 0 H ASN A 379 0.724 17.610 16.710 1.00 32.52 H new ATOM 0 HA ASN A 379 1.350 19.290 14.355 1.00 44.21 H new ATOM 0 HB2 ASN A 379 2.085 16.984 13.401 1.00 31.34 H new ATOM 0 HB3 ASN A 379 3.164 17.789 14.523 1.00 31.34 H new ATOM 0 HD21 ASN A 379 3.370 14.726 16.223 1.00 30.34 H new ATOM 0 HD22 ASN A 379 4.151 15.929 15.191 1.00 30.34 H new ATOM 536 N ASP A 380 -0.213 17.617 12.868 1.00 21.52 N ATOM 537 CA ASP A 380 -1.390 17.128 12.171 1.00 73.12 C ATOM 538 C ASP A 380 -1.356 15.599 12.131 1.00 61.25 C ATOM 539 O ASP A 380 -0.357 14.987 12.506 1.00 70.35 O ATOM 540 CB ASP A 380 -1.428 17.638 10.729 1.00 43.10 C ATOM 541 CG ASP A 380 -0.127 17.455 9.944 1.00 32.42 C ATOM 542 OD1 ASP A 380 0.372 18.394 9.307 1.00 60.12 O ATOM 543 OD2 ASP A 380 0.384 16.272 10.005 1.00 22.13 O ATOM 0 H ASP A 380 0.593 17.799 12.269 1.00 21.52 H new ATOM 0 HA ASP A 380 -2.270 17.487 12.704 1.00 73.12 H new ATOM 0 HB2 ASP A 380 -2.230 17.124 10.199 1.00 43.10 H new ATOM 0 HB3 ASP A 380 -1.682 18.698 10.741 1.00 43.10 H new ATOM 549 N LYS A 381 -2.459 15.026 11.672 1.00 31.23 N ATOM 550 CA LYS A 381 -2.568 13.580 11.578 1.00 22.11 C ATOM 551 C LYS A 381 -1.830 13.098 10.328 1.00 64.33 C ATOM 552 O LYS A 381 -0.861 12.347 10.426 1.00 65.44 O ATOM 553 CB LYS A 381 -4.035 13.148 11.631 1.00 3.31 C ATOM 554 CG LYS A 381 -4.649 13.462 12.997 1.00 74.42 C ATOM 555 CD LYS A 381 -6.027 14.110 12.842 1.00 23.14 C ATOM 556 CE LYS A 381 -6.882 13.883 14.090 1.00 13.34 C ATOM 557 NZ LYS A 381 -8.315 14.084 13.780 1.00 53.52 N ATOM 0 H LYS A 381 -3.285 15.537 11.361 1.00 31.23 H new ATOM 0 HA LYS A 381 -2.089 13.106 12.435 1.00 22.11 H new ATOM 0 HB2 LYS A 381 -4.597 13.659 10.849 1.00 3.31 H new ATOM 0 HB3 LYS A 381 -4.111 12.079 11.431 1.00 3.31 H new ATOM 0 HG2 LYS A 381 -4.738 12.545 13.579 1.00 74.42 H new ATOM 0 HG3 LYS A 381 -3.989 14.129 13.552 1.00 74.42 H new ATOM 0 HD2 LYS A 381 -5.912 15.179 12.665 1.00 23.14 H new ATOM 0 HD3 LYS A 381 -6.532 13.695 11.970 1.00 23.14 H new ATOM 0 HE2 LYS A 381 -6.724 12.873 14.468 1.00 13.34 H new ATOM 0 HE3 LYS A 381 -6.575 14.570 14.879 1.00 13.34 H new ATOM 0 HZ1 LYS A 381 -8.896 13.657 14.530 1.00 53.52 H new ATOM 0 HZ2 LYS A 381 -8.518 15.102 13.722 1.00 53.52 H new ATOM 0 HZ3 LYS A 381 -8.540 13.634 12.870 1.00 53.52 H new ATOM 570 N ASP A 382 -2.316 13.549 9.181 1.00 13.32 N ATOM 571 CA ASP A 382 -1.715 13.173 7.913 1.00 2.30 C ATOM 572 C ASP A 382 -1.831 11.659 7.727 1.00 13.13 C ATOM 573 O ASP A 382 -1.070 11.063 6.967 1.00 24.15 O ATOM 574 CB ASP A 382 -0.230 13.541 7.877 1.00 52.20 C ATOM 575 CG ASP A 382 0.344 13.778 6.479 1.00 74.15 C ATOM 576 OD1 ASP A 382 1.561 13.683 6.263 1.00 20.13 O ATOM 577 OD2 ASP A 382 -0.528 14.075 5.575 1.00 43.40 O ATOM 0 H ASP A 382 -3.120 14.172 9.103 1.00 13.32 H new ATOM 0 HA ASP A 382 -2.239 13.707 7.120 1.00 2.30 H new ATOM 0 HB2 ASP A 382 -0.080 14.442 8.472 1.00 52.20 H new ATOM 0 HB3 ASP A 382 0.338 12.744 8.356 1.00 52.20 H new ATOM 583 N VAL A 383 -2.791 11.080 8.434 1.00 1.53 N ATOM 584 CA VAL A 383 -3.017 9.647 8.357 1.00 41.20 C ATOM 585 C VAL A 383 -4.446 9.336 8.804 1.00 35.15 C ATOM 586 O VAL A 383 -5.154 10.217 9.291 1.00 71.50 O ATOM 587 CB VAL A 383 -1.959 8.906 9.177 1.00 60.44 C ATOM 588 CG1 VAL A 383 -2.430 8.695 10.617 1.00 3.21 C ATOM 589 CG2 VAL A 383 -1.591 7.574 8.520 1.00 61.32 C ATOM 0 H VAL A 383 -3.421 11.578 9.063 1.00 1.53 H new ATOM 0 HA VAL A 383 -2.915 9.299 7.329 1.00 41.20 H new ATOM 0 HB VAL A 383 -1.062 9.525 9.205 1.00 60.44 H new ATOM 0 HG11 VAL A 383 -1.660 8.166 11.178 1.00 3.21 H new ATOM 0 HG12 VAL A 383 -2.619 9.662 11.083 1.00 3.21 H new ATOM 0 HG13 VAL A 383 -3.347 8.106 10.617 1.00 3.21 H new ATOM 0 HG21 VAL A 383 -0.837 7.067 9.123 1.00 61.32 H new ATOM 0 HG22 VAL A 383 -2.479 6.947 8.447 1.00 61.32 H new ATOM 0 HG23 VAL A 383 -1.194 7.758 7.522 1.00 61.32 H new ATOM 599 N LYS A 384 -4.829 8.080 8.624 1.00 42.32 N ATOM 600 CA LYS A 384 -6.161 7.642 9.003 1.00 72.21 C ATOM 601 C LYS A 384 -6.149 6.130 9.237 1.00 25.20 C ATOM 602 O LYS A 384 -5.259 5.431 8.754 1.00 21.23 O ATOM 603 CB LYS A 384 -7.190 8.095 7.965 1.00 61.31 C ATOM 604 CG LYS A 384 -8.572 7.517 8.275 1.00 74.24 C ATOM 605 CD LYS A 384 -9.654 8.206 7.440 1.00 31.23 C ATOM 606 CE LYS A 384 -11.052 7.813 7.923 1.00 1.31 C ATOM 607 NZ LYS A 384 -12.083 8.628 7.243 1.00 51.34 N ATOM 0 H LYS A 384 -4.239 7.352 8.221 1.00 42.32 H new ATOM 0 HA LYS A 384 -6.462 8.108 9.941 1.00 72.21 H new ATOM 0 HB2 LYS A 384 -7.242 9.184 7.950 1.00 61.31 H new ATOM 0 HB3 LYS A 384 -6.874 7.778 6.971 1.00 61.31 H new ATOM 0 HG2 LYS A 384 -8.577 6.446 8.071 1.00 74.24 H new ATOM 0 HG3 LYS A 384 -8.792 7.640 9.335 1.00 74.24 H new ATOM 0 HD2 LYS A 384 -9.534 9.288 7.504 1.00 31.23 H new ATOM 0 HD3 LYS A 384 -9.538 7.933 6.391 1.00 31.23 H new ATOM 0 HE2 LYS A 384 -11.227 6.755 7.726 1.00 1.31 H new ATOM 0 HE3 LYS A 384 -11.123 7.952 9.002 1.00 1.31 H new ATOM 0 HZ1 LYS A 384 -13.026 8.349 7.582 1.00 51.34 H new ATOM 0 HZ2 LYS A 384 -11.924 9.634 7.452 1.00 51.34 H new ATOM 0 HZ3 LYS A 384 -12.025 8.475 6.216 1.00 51.34 H new ATOM 620 N ILE A 385 -7.146 5.670 9.978 1.00 61.53 N ATOM 621 CA ILE A 385 -7.261 4.253 10.282 1.00 43.23 C ATOM 622 C ILE A 385 -8.557 3.710 9.678 1.00 70.25 C ATOM 623 O ILE A 385 -9.591 4.375 9.716 1.00 43.42 O ATOM 624 CB ILE A 385 -7.138 4.017 11.788 1.00 20.04 C ATOM 625 CG1 ILE A 385 -5.858 4.648 12.340 1.00 62.11 C ATOM 626 CG2 ILE A 385 -7.231 2.526 12.119 1.00 64.12 C ATOM 627 CD1 ILE A 385 -4.623 3.865 11.889 1.00 3.33 C ATOM 0 H ILE A 385 -7.882 6.253 10.377 1.00 61.53 H new ATOM 0 HA ILE A 385 -6.440 3.698 9.828 1.00 43.23 H new ATOM 0 HB ILE A 385 -7.977 4.509 12.280 1.00 20.04 H new ATOM 0 HG12 ILE A 385 -5.782 5.681 12.001 1.00 62.11 H new ATOM 0 HG13 ILE A 385 -5.900 4.672 13.429 1.00 62.11 H new ATOM 0 HG21 ILE A 385 -7.141 2.386 13.196 1.00 64.12 H new ATOM 0 HG22 ILE A 385 -8.192 2.138 11.782 1.00 64.12 H new ATOM 0 HG23 ILE A 385 -6.427 1.991 11.615 1.00 64.12 H new ATOM 0 HD11 ILE A 385 -3.727 4.334 12.295 1.00 3.33 H new ATOM 0 HD12 ILE A 385 -4.691 2.839 12.250 1.00 3.33 H new ATOM 0 HD13 ILE A 385 -4.571 3.864 10.800 1.00 3.33 H new ATOM 639 N GLU A 386 -8.460 2.506 9.134 1.00 64.43 N ATOM 640 CA GLU A 386 -9.612 1.865 8.522 1.00 4.12 C ATOM 641 C GLU A 386 -9.763 0.435 9.045 1.00 54.04 C ATOM 642 O GLU A 386 -8.822 -0.131 9.598 1.00 2.40 O ATOM 643 CB GLU A 386 -9.503 1.883 6.996 1.00 30.33 C ATOM 644 CG GLU A 386 -10.366 2.996 6.398 1.00 63.31 C ATOM 645 CD GLU A 386 -10.675 2.718 4.925 1.00 2.23 C ATOM 646 OE1 GLU A 386 -9.755 2.687 4.094 1.00 12.50 O ATOM 647 OE2 GLU A 386 -11.922 2.529 4.656 1.00 12.22 O ATOM 0 H GLU A 386 -7.601 1.957 9.104 1.00 64.43 H new ATOM 0 HA GLU A 386 -10.505 2.427 8.796 1.00 4.12 H new ATOM 0 HB2 GLU A 386 -8.463 2.028 6.704 1.00 30.33 H new ATOM 0 HB3 GLU A 386 -9.816 0.919 6.594 1.00 30.33 H new ATOM 0 HG2 GLU A 386 -11.297 3.081 6.959 1.00 63.31 H new ATOM 0 HG3 GLU A 386 -9.850 3.951 6.491 1.00 63.31 H new ATOM 655 N PRO A 387 -10.987 -0.123 8.845 1.00 15.11 N ATOM 656 CA PRO A 387 -12.048 0.616 8.181 1.00 44.11 C ATOM 657 C PRO A 387 -12.643 1.675 9.111 1.00 55.02 C ATOM 658 O PRO A 387 -13.359 2.585 8.692 1.00 63.41 O ATOM 659 CB PRO A 387 -13.057 -0.439 7.758 1.00 41.43 C ATOM 660 CG PRO A 387 -12.756 -1.666 8.603 1.00 54.13 C ATOM 661 CD PRO A 387 -11.393 -1.467 9.245 1.00 33.20 C ATOM 0 HA PRO A 387 -11.693 1.177 7.316 1.00 44.11 H new ATOM 0 HB2 PRO A 387 -14.077 -0.092 7.923 1.00 41.43 H new ATOM 0 HB3 PRO A 387 -12.964 -0.664 6.696 1.00 41.43 H new ATOM 0 HG2 PRO A 387 -13.522 -1.801 9.367 1.00 54.13 H new ATOM 0 HG3 PRO A 387 -12.760 -2.565 7.986 1.00 54.13 H new ATOM 0 HD2 PRO A 387 -11.449 -1.557 10.330 1.00 33.20 H new ATOM 0 HD3 PRO A 387 -10.680 -2.215 8.900 1.00 33.20 H new ATOM 669 N CYS A 388 -12.330 1.536 10.395 1.00 22.52 N ATOM 670 CA CYS A 388 -12.819 2.463 11.407 1.00 14.24 C ATOM 671 C CYS A 388 -12.864 3.888 10.864 1.00 55.40 C ATOM 672 O CYS A 388 -13.906 4.308 10.362 1.00 41.40 O ATOM 673 CB CYS A 388 -11.932 2.408 12.652 1.00 44.41 C ATOM 674 SG CYS A 388 -10.195 1.977 12.308 1.00 51.24 S ATOM 0 H CYS A 388 -11.739 0.789 10.759 1.00 22.52 H new ATOM 0 HA CYS A 388 -13.832 2.164 11.677 1.00 14.24 H new ATOM 0 HB2 CYS A 388 -11.963 3.377 13.150 1.00 44.41 H new ATOM 0 HB3 CYS A 388 -12.346 1.678 13.348 1.00 44.41 H new ATOM 0 HG CYS A 388 -9.502 2.061 13.405 1.00 51.24 H new ATOM 679 N GLY A 389 -11.748 4.593 10.975 1.00 23.40 N ATOM 680 CA GLY A 389 -11.675 5.961 10.493 1.00 41.33 C ATOM 681 C GLY A 389 -11.078 6.886 11.555 1.00 3.14 C ATOM 682 O GLY A 389 -11.570 7.993 11.767 1.00 3.41 O ATOM 0 H GLY A 389 -10.886 4.242 11.392 1.00 23.40 H new ATOM 0 HA2 GLY A 389 -11.067 6.000 9.589 1.00 41.33 H new ATOM 0 HA3 GLY A 389 -12.672 6.308 10.222 1.00 41.33 H new ATOM 686 N HIS A 390 -10.026 6.397 12.196 1.00 43.54 N ATOM 687 CA HIS A 390 -9.356 7.166 13.231 1.00 12.31 C ATOM 688 C HIS A 390 -8.133 7.869 12.639 1.00 53.34 C ATOM 689 O HIS A 390 -7.329 7.247 11.947 1.00 73.44 O ATOM 690 CB HIS A 390 -9.008 6.278 14.427 1.00 11.54 C ATOM 691 CG HIS A 390 -10.198 5.576 15.038 1.00 45.13 C ATOM 692 ND1 HIS A 390 -10.168 4.246 15.418 1.00 34.25 N ATOM 693 CD2 HIS A 390 -11.449 6.033 15.330 1.00 71.03 C ATOM 694 CE1 HIS A 390 -11.355 3.927 15.915 1.00 64.10 C ATOM 695 NE2 HIS A 390 -12.147 5.036 15.859 1.00 70.44 N ATOM 0 H HIS A 390 -9.621 5.478 12.018 1.00 43.54 H new ATOM 0 HA HIS A 390 -10.027 7.938 13.608 1.00 12.31 H new ATOM 0 HB2 HIS A 390 -8.280 5.530 14.112 1.00 11.54 H new ATOM 0 HB3 HIS A 390 -8.527 6.888 15.192 1.00 11.54 H new ATOM 0 HD1 HIS A 390 -9.369 3.618 15.331 1.00 34.25 H new ATOM 0 HD2 HIS A 390 -11.811 7.036 15.160 1.00 71.03 H new ATOM 0 HE1 HIS A 390 -11.644 2.959 16.297 1.00 64.10 H new ATOM 703 N LEU A 391 -8.031 9.157 12.932 1.00 53.32 N ATOM 704 CA LEU A 391 -6.920 9.952 12.437 1.00 70.11 C ATOM 705 C LEU A 391 -5.878 10.111 13.546 1.00 34.22 C ATOM 706 O LEU A 391 -6.217 10.085 14.729 1.00 65.45 O ATOM 707 CB LEU A 391 -7.422 11.281 11.870 1.00 15.30 C ATOM 708 CG LEU A 391 -8.822 11.261 11.252 1.00 60.31 C ATOM 709 CD1 LEU A 391 -8.994 10.056 10.325 1.00 34.54 C ATOM 710 CD2 LEU A 391 -9.901 11.310 12.336 1.00 62.53 C ATOM 0 H LEU A 391 -8.700 9.670 13.506 1.00 53.32 H new ATOM 0 HA LEU A 391 -6.428 9.444 11.607 1.00 70.11 H new ATOM 0 HB2 LEU A 391 -7.410 12.022 12.669 1.00 15.30 H new ATOM 0 HB3 LEU A 391 -6.716 11.619 11.111 1.00 15.30 H new ATOM 0 HG LEU A 391 -8.939 12.156 10.641 1.00 60.31 H new ATOM 0 HD11 LEU A 391 -9.997 10.065 9.899 1.00 34.54 H new ATOM 0 HD12 LEU A 391 -8.258 10.106 9.522 1.00 34.54 H new ATOM 0 HD13 LEU A 391 -8.849 9.137 10.893 1.00 34.54 H new ATOM 0 HD21 LEU A 391 -10.886 11.295 11.870 1.00 62.53 H new ATOM 0 HD22 LEU A 391 -9.797 10.446 12.992 1.00 62.53 H new ATOM 0 HD23 LEU A 391 -9.790 12.224 12.919 1.00 62.53 H new ATOM 722 N MET A 392 -4.632 10.272 13.125 1.00 15.14 N ATOM 723 CA MET A 392 -3.539 10.435 14.069 1.00 52.25 C ATOM 724 C MET A 392 -2.268 10.904 13.358 1.00 3.23 C ATOM 725 O MET A 392 -2.212 10.931 12.130 1.00 75.22 O ATOM 726 CB MET A 392 -3.269 9.104 14.773 1.00 74.03 C ATOM 727 CG MET A 392 -2.648 8.090 13.810 1.00 43.54 C ATOM 728 SD MET A 392 -2.653 6.465 14.547 1.00 3.01 S ATOM 729 CE MET A 392 -4.404 6.256 14.824 1.00 64.53 C ATOM 0 H MET A 392 -4.355 10.293 12.144 1.00 15.14 H new ATOM 0 HA MET A 392 -3.824 11.191 14.801 1.00 52.25 H new ATOM 0 HB2 MET A 392 -2.600 9.265 15.618 1.00 74.03 H new ATOM 0 HB3 MET A 392 -4.201 8.706 15.175 1.00 74.03 H new ATOM 0 HG2 MET A 392 -3.207 8.076 12.874 1.00 43.54 H new ATOM 0 HG3 MET A 392 -1.627 8.385 13.567 1.00 43.54 H new ATOM 0 HE1 MET A 392 -4.646 5.193 14.834 1.00 64.53 H new ATOM 0 HE2 MET A 392 -4.676 6.699 15.782 1.00 64.53 H new ATOM 0 HE3 MET A 392 -4.960 6.747 14.025 1.00 64.53 H new ATOM 739 N CYS A 393 -1.277 11.263 14.162 1.00 72.40 N ATOM 740 CA CYS A 393 -0.010 11.729 13.626 1.00 41.23 C ATOM 741 C CYS A 393 0.968 10.552 13.610 1.00 13.44 C ATOM 742 O CYS A 393 1.336 10.033 14.663 1.00 74.21 O ATOM 743 CB CYS A 393 0.538 12.916 14.421 1.00 40.02 C ATOM 744 SG CYS A 393 0.809 12.588 16.201 1.00 62.14 S ATOM 0 H CYS A 393 -1.327 11.240 15.181 1.00 72.40 H new ATOM 0 HA CYS A 393 -0.155 12.093 12.609 1.00 41.23 H new ATOM 0 HB2 CYS A 393 1.482 13.229 13.976 1.00 40.02 H new ATOM 0 HB3 CYS A 393 -0.154 13.752 14.321 1.00 40.02 H new ATOM 0 HG CYS A 393 2.077 12.680 16.471 1.00 62.14 H new ATOM 749 N THR A 394 1.360 10.166 12.405 1.00 5.34 N ATOM 750 CA THR A 394 2.288 9.060 12.239 1.00 2.43 C ATOM 751 C THR A 394 3.375 9.110 13.315 1.00 34.54 C ATOM 752 O THR A 394 3.534 8.164 14.085 1.00 31.34 O ATOM 753 CB THR A 394 2.842 9.118 10.814 1.00 34.30 C ATOM 754 OG1 THR A 394 1.680 9.216 9.994 1.00 2.13 O ATOM 755 CG2 THR A 394 3.490 7.800 10.384 1.00 3.24 C ATOM 0 H THR A 394 1.052 10.599 11.534 1.00 5.34 H new ATOM 0 HA THR A 394 1.788 8.101 12.371 1.00 2.43 H new ATOM 0 HB THR A 394 3.573 9.923 10.741 1.00 34.30 H new ATOM 0 HG1 THR A 394 1.947 9.260 9.052 1.00 2.13 H new ATOM 0 HG21 THR A 394 3.867 7.895 9.366 1.00 3.24 H new ATOM 0 HG22 THR A 394 4.315 7.564 11.056 1.00 3.24 H new ATOM 0 HG23 THR A 394 2.750 7.001 10.424 1.00 3.24 H new ATOM 763 N SER A 395 4.094 10.222 13.334 1.00 21.12 N ATOM 764 CA SER A 395 5.161 10.407 14.303 1.00 30.22 C ATOM 765 C SER A 395 4.708 9.918 15.680 1.00 15.24 C ATOM 766 O SER A 395 5.460 9.244 16.383 1.00 53.25 O ATOM 767 CB SER A 395 5.591 11.873 14.376 1.00 42.35 C ATOM 768 OG SER A 395 6.882 12.023 14.961 1.00 34.34 O ATOM 0 H SER A 395 3.959 11.004 12.694 1.00 21.12 H new ATOM 0 HA SER A 395 6.021 9.820 13.981 1.00 30.22 H new ATOM 0 HB2 SER A 395 5.596 12.300 13.373 1.00 42.35 H new ATOM 0 HB3 SER A 395 4.862 12.436 14.958 1.00 42.35 H new ATOM 0 HG SER A 395 7.121 12.973 14.988 1.00 34.34 H new ATOM 774 N CYS A 396 3.480 10.277 16.025 1.00 12.15 N ATOM 775 CA CYS A 396 2.917 9.884 17.306 1.00 21.41 C ATOM 776 C CYS A 396 2.718 8.367 17.298 1.00 61.34 C ATOM 777 O CYS A 396 3.219 7.666 18.176 1.00 12.42 O ATOM 778 CB CYS A 396 1.614 10.629 17.604 1.00 24.54 C ATOM 779 SG CYS A 396 1.600 12.385 17.092 1.00 4.33 S ATOM 0 H CYS A 396 2.859 10.836 15.440 1.00 12.15 H new ATOM 0 HA CYS A 396 3.605 10.155 18.107 1.00 21.41 H new ATOM 0 HB2 CYS A 396 0.794 10.113 17.104 1.00 24.54 H new ATOM 0 HB3 CYS A 396 1.418 10.576 18.675 1.00 24.54 H new ATOM 0 HG CYS A 396 0.481 12.652 16.487 1.00 4.33 H new ATOM 784 N LEU A 397 1.986 7.904 16.295 1.00 31.42 N ATOM 785 CA LEU A 397 1.715 6.482 16.161 1.00 54.42 C ATOM 786 C LEU A 397 3.002 5.696 16.414 1.00 61.42 C ATOM 787 O LEU A 397 2.967 4.612 16.994 1.00 25.50 O ATOM 788 CB LEU A 397 1.069 6.186 14.806 1.00 50.03 C ATOM 789 CG LEU A 397 1.126 4.730 14.340 1.00 73.31 C ATOM 790 CD1 LEU A 397 2.555 4.327 13.973 1.00 23.32 C ATOM 791 CD2 LEU A 397 0.517 3.795 15.387 1.00 25.13 C ATOM 0 H LEU A 397 1.572 8.488 15.568 1.00 31.42 H new ATOM 0 HA LEU A 397 0.992 6.159 16.910 1.00 54.42 H new ATOM 0 HB2 LEU A 397 0.024 6.492 14.849 1.00 50.03 H new ATOM 0 HB3 LEU A 397 1.552 6.807 14.052 1.00 50.03 H new ATOM 0 HG LEU A 397 0.524 4.637 13.436 1.00 73.31 H new ATOM 0 HD11 LEU A 397 2.567 3.288 13.645 1.00 23.32 H new ATOM 0 HD12 LEU A 397 2.918 4.966 13.168 1.00 23.32 H new ATOM 0 HD13 LEU A 397 3.200 4.440 14.844 1.00 23.32 H new ATOM 0 HD21 LEU A 397 0.570 2.766 15.031 1.00 25.13 H new ATOM 0 HD22 LEU A 397 1.071 3.885 16.321 1.00 25.13 H new ATOM 0 HD23 LEU A 397 -0.525 4.067 15.556 1.00 25.13 H new ATOM 803 N THR A 398 4.108 6.272 15.966 1.00 12.11 N ATOM 804 CA THR A 398 5.404 5.638 16.137 1.00 41.32 C ATOM 805 C THR A 398 5.721 5.463 17.623 1.00 14.33 C ATOM 806 O THR A 398 6.158 4.395 18.047 1.00 71.50 O ATOM 807 CB THR A 398 6.443 6.477 15.389 1.00 15.11 C ATOM 808 OG1 THR A 398 5.862 6.683 14.104 1.00 64.11 O ATOM 809 CG2 THR A 398 7.726 5.697 15.098 1.00 60.21 C ATOM 0 H THR A 398 4.133 7.171 15.485 1.00 12.11 H new ATOM 0 HA THR A 398 5.411 4.633 15.715 1.00 41.32 H new ATOM 0 HB THR A 398 6.683 7.364 15.975 1.00 15.11 H new ATOM 0 HG1 THR A 398 6.469 7.220 13.553 1.00 64.11 H new ATOM 0 HG21 THR A 398 8.429 6.338 14.566 1.00 60.21 H new ATOM 0 HG22 THR A 398 8.173 5.368 16.036 1.00 60.21 H new ATOM 0 HG23 THR A 398 7.492 4.828 14.484 1.00 60.21 H new ATOM 817 N ALA A 399 5.487 6.529 18.375 1.00 42.33 N ATOM 818 CA ALA A 399 5.742 6.507 19.805 1.00 31.01 C ATOM 819 C ALA A 399 4.947 5.366 20.443 1.00 75.04 C ATOM 820 O ALA A 399 5.296 4.887 21.520 1.00 1.45 O ATOM 821 CB ALA A 399 5.392 7.869 20.407 1.00 11.23 C ATOM 0 H ALA A 399 5.123 7.414 18.020 1.00 42.33 H new ATOM 0 HA ALA A 399 6.798 6.324 20.004 1.00 31.01 H new ATOM 0 HB1 ALA A 399 5.583 7.853 21.480 1.00 11.23 H new ATOM 0 HB2 ALA A 399 6.004 8.641 19.941 1.00 11.23 H new ATOM 0 HB3 ALA A 399 4.339 8.085 20.230 1.00 11.23 H new ATOM 827 N TRP A 400 3.892 4.963 19.749 1.00 12.14 N ATOM 828 CA TRP A 400 3.044 3.887 20.234 1.00 10.23 C ATOM 829 C TRP A 400 3.661 2.561 19.786 1.00 32.33 C ATOM 830 O TRP A 400 4.086 1.758 20.616 1.00 73.02 O ATOM 831 CB TRP A 400 1.602 4.068 19.756 1.00 31.32 C ATOM 832 CG TRP A 400 0.814 2.761 19.648 1.00 31.33 C ATOM 833 CD1 TRP A 400 0.449 2.107 18.537 1.00 32.20 C ATOM 834 CD2 TRP A 400 0.306 1.970 20.744 1.00 54.25 C ATOM 835 NE1 TRP A 400 -0.255 0.957 18.835 1.00 41.54 N ATOM 836 CE2 TRP A 400 -0.345 0.872 20.219 1.00 24.21 C ATOM 837 CE3 TRP A 400 0.392 2.176 22.132 1.00 45.44 C ATOM 838 CZ2 TRP A 400 -0.958 -0.106 21.011 1.00 71.31 C ATOM 839 CZ3 TRP A 400 -0.226 1.190 22.909 1.00 21.13 C ATOM 840 CH2 TRP A 400 -0.884 0.078 22.397 1.00 54.44 C ATOM 0 H TRP A 400 3.605 5.362 18.855 1.00 12.14 H new ATOM 0 HA TRP A 400 2.993 3.897 21.323 1.00 10.23 H new ATOM 0 HB2 TRP A 400 1.084 4.737 20.443 1.00 31.32 H new ATOM 0 HB3 TRP A 400 1.612 4.556 18.781 1.00 31.32 H new ATOM 0 HD1 TRP A 400 0.677 2.438 17.534 1.00 32.20 H new ATOM 0 HE1 TRP A 400 -0.638 0.292 18.163 1.00 41.54 H new ATOM 0 HE3 TRP A 400 0.895 3.028 22.564 1.00 45.44 H new ATOM 0 HZ2 TRP A 400 -1.461 -0.957 20.576 1.00 71.31 H new ATOM 0 HZ3 TRP A 400 -0.189 1.301 23.983 1.00 21.13 H new ATOM 0 HH2 TRP A 400 -1.336 -0.640 23.065 1.00 54.44 H new ATOM 851 N GLN A 401 3.690 2.371 18.475 1.00 2.43 N ATOM 852 CA GLN A 401 4.248 1.156 17.907 1.00 30.10 C ATOM 853 C GLN A 401 5.660 0.918 18.445 1.00 24.10 C ATOM 854 O GLN A 401 6.189 -0.188 18.343 1.00 20.11 O ATOM 855 CB GLN A 401 4.246 1.215 16.378 1.00 23.52 C ATOM 856 CG GLN A 401 2.820 1.151 15.829 1.00 72.24 C ATOM 857 CD GLN A 401 2.504 -0.243 15.283 1.00 63.50 C ATOM 858 OE1 GLN A 401 3.378 -1.071 15.079 1.00 54.43 O ATOM 859 NE2 GLN A 401 1.211 -0.457 15.059 1.00 13.05 N ATOM 0 H GLN A 401 3.336 3.039 17.790 1.00 2.43 H new ATOM 0 HA GLN A 401 3.621 0.316 18.206 1.00 30.10 H new ATOM 0 HB2 GLN A 401 4.727 2.135 16.045 1.00 23.52 H new ATOM 0 HB3 GLN A 401 4.831 0.387 15.978 1.00 23.52 H new ATOM 0 HG2 GLN A 401 2.111 1.406 16.617 1.00 72.24 H new ATOM 0 HG3 GLN A 401 2.697 1.891 15.038 1.00 72.24 H new ATOM 0 HE21 GLN A 401 0.531 0.279 15.251 1.00 13.05 H new ATOM 0 HE22 GLN A 401 0.899 -1.357 14.695 1.00 13.05 H new ATOM 868 N GLU A 402 6.231 1.974 19.006 1.00 22.30 N ATOM 869 CA GLU A 402 7.572 1.893 19.560 1.00 0.42 C ATOM 870 C GLU A 402 7.790 0.534 20.227 1.00 22.21 C ATOM 871 O GLU A 402 8.640 -0.244 19.796 1.00 4.32 O ATOM 872 CB GLU A 402 7.827 3.035 20.546 1.00 31.04 C ATOM 873 CG GLU A 402 8.648 4.149 19.895 1.00 41.43 C ATOM 874 CD GLU A 402 9.145 5.148 20.942 1.00 52.42 C ATOM 875 OE1 GLU A 402 10.117 5.877 20.692 1.00 73.23 O ATOM 876 OE2 GLU A 402 8.482 5.153 22.049 1.00 63.23 O ATOM 0 H GLU A 402 5.790 2.890 19.089 1.00 22.30 H new ATOM 0 HA GLU A 402 8.288 1.994 18.744 1.00 0.42 H new ATOM 0 HB2 GLU A 402 6.876 3.437 20.896 1.00 31.04 H new ATOM 0 HB3 GLU A 402 8.354 2.654 21.421 1.00 31.04 H new ATOM 0 HG2 GLU A 402 9.498 3.718 19.367 1.00 41.43 H new ATOM 0 HG3 GLU A 402 8.041 4.667 19.153 1.00 41.43 H new ATOM 884 N SER A 403 7.008 0.288 21.268 1.00 53.53 N ATOM 885 CA SER A 403 7.105 -0.964 21.998 1.00 13.24 C ATOM 886 C SER A 403 5.764 -1.699 21.956 1.00 32.42 C ATOM 887 O SER A 403 5.717 -2.921 22.097 1.00 51.55 O ATOM 888 CB SER A 403 7.533 -0.724 23.447 1.00 23.24 C ATOM 889 OG SER A 403 8.050 -1.906 24.053 1.00 4.35 O ATOM 0 H SER A 403 6.304 0.935 21.623 1.00 53.53 H new ATOM 0 HA SER A 403 7.866 -1.581 21.520 1.00 13.24 H new ATOM 0 HB2 SER A 403 8.290 0.060 23.476 1.00 23.24 H new ATOM 0 HB3 SER A 403 6.680 -0.365 24.022 1.00 23.24 H new ATOM 0 HG SER A 403 8.314 -1.712 24.977 1.00 4.35 H new ATOM 895 N ASP A 404 4.706 -0.925 21.762 1.00 23.22 N ATOM 896 CA ASP A 404 3.368 -1.488 21.700 1.00 41.13 C ATOM 897 C ASP A 404 3.109 -2.022 20.289 1.00 4.24 C ATOM 898 O ASP A 404 3.473 -3.154 19.974 1.00 51.31 O ATOM 899 CB ASP A 404 2.309 -0.426 22.005 1.00 25.50 C ATOM 900 CG ASP A 404 2.120 -0.110 23.490 1.00 64.10 C ATOM 901 OD1 ASP A 404 1.356 -0.786 24.195 1.00 64.33 O ATOM 902 OD2 ASP A 404 2.806 0.892 23.926 1.00 65.34 O ATOM 0 H ASP A 404 4.748 0.087 21.646 1.00 23.22 H new ATOM 0 HA ASP A 404 3.303 -2.286 22.440 1.00 41.13 H new ATOM 0 HB2 ASP A 404 2.577 0.493 21.485 1.00 25.50 H new ATOM 0 HB3 ASP A 404 1.355 -0.757 21.595 1.00 25.50 H new ATOM 908 N GLY A 405 2.483 -1.181 19.479 1.00 62.52 N ATOM 909 CA GLY A 405 2.172 -1.555 18.109 1.00 15.35 C ATOM 910 C GLY A 405 1.069 -2.615 18.067 1.00 11.34 C ATOM 911 O GLY A 405 1.055 -3.466 17.180 1.00 52.03 O ATOM 0 H GLY A 405 2.183 -0.243 19.744 1.00 62.52 H new ATOM 0 HA2 GLY A 405 1.856 -0.674 17.550 1.00 15.35 H new ATOM 0 HA3 GLY A 405 3.068 -1.938 17.620 1.00 15.35 H new ATOM 915 N GLN A 406 0.172 -2.528 19.038 1.00 33.04 N ATOM 916 CA GLN A 406 -0.932 -3.469 19.123 1.00 32.15 C ATOM 917 C GLN A 406 -2.153 -2.925 18.379 1.00 44.54 C ATOM 918 O GLN A 406 -3.170 -2.610 18.994 1.00 74.23 O ATOM 919 CB GLN A 406 -1.274 -3.782 20.581 1.00 35.44 C ATOM 920 CG GLN A 406 -0.589 -5.071 21.041 1.00 3.40 C ATOM 921 CD GLN A 406 -1.334 -5.697 22.221 1.00 21.33 C ATOM 922 OE1 GLN A 406 -1.173 -5.309 23.367 1.00 60.52 O ATOM 923 NE2 GLN A 406 -2.156 -6.685 21.879 1.00 31.10 N ATOM 0 H GLN A 406 0.187 -1.820 19.773 1.00 33.04 H new ATOM 0 HA GLN A 406 -0.626 -4.401 18.647 1.00 32.15 H new ATOM 0 HB2 GLN A 406 -0.962 -2.954 21.217 1.00 35.44 H new ATOM 0 HB3 GLN A 406 -2.354 -3.880 20.692 1.00 35.44 H new ATOM 0 HG2 GLN A 406 -0.548 -5.780 20.214 1.00 3.40 H new ATOM 0 HG3 GLN A 406 0.440 -4.857 21.328 1.00 3.40 H new ATOM 0 HE21 GLN A 406 -2.244 -6.960 20.901 1.00 31.10 H new ATOM 0 HE22 GLN A 406 -2.699 -7.168 22.595 1.00 31.10 H new ATOM 932 N GLY A 407 -2.010 -2.830 17.065 1.00 54.42 N ATOM 933 CA GLY A 407 -3.089 -2.328 16.230 1.00 64.55 C ATOM 934 C GLY A 407 -3.367 -0.852 16.520 1.00 22.35 C ATOM 935 O GLY A 407 -2.531 -0.162 17.102 1.00 31.44 O ATOM 0 H GLY A 407 -1.164 -3.092 16.558 1.00 54.42 H new ATOM 0 HA2 GLY A 407 -2.828 -2.453 15.179 1.00 64.55 H new ATOM 0 HA3 GLY A 407 -3.992 -2.913 16.406 1.00 64.55 H new ATOM 939 N CYS A 408 -4.544 -0.411 16.102 1.00 31.42 N ATOM 940 CA CYS A 408 -4.943 0.970 16.311 1.00 41.24 C ATOM 941 C CYS A 408 -4.958 1.244 17.816 1.00 74.12 C ATOM 942 O CYS A 408 -5.605 0.523 18.575 1.00 44.43 O ATOM 943 CB CYS A 408 -6.295 1.273 15.662 1.00 71.34 C ATOM 944 SG CYS A 408 -6.606 3.045 15.326 1.00 32.43 S ATOM 0 H CYS A 408 -5.235 -0.986 15.619 1.00 31.42 H new ATOM 0 HA CYS A 408 -4.226 1.635 15.829 1.00 41.24 H new ATOM 0 HB2 CYS A 408 -6.363 0.722 14.724 1.00 71.34 H new ATOM 0 HB3 CYS A 408 -7.086 0.896 16.311 1.00 71.34 H new ATOM 0 HG CYS A 408 -7.646 3.165 14.556 1.00 32.43 H new ATOM 949 N PRO A 409 -4.220 2.315 18.213 1.00 61.31 N ATOM 950 CA PRO A 409 -4.143 2.692 19.614 1.00 43.53 C ATOM 951 C PRO A 409 -5.436 3.371 20.071 1.00 63.03 C ATOM 952 O PRO A 409 -5.571 3.736 21.238 1.00 65.04 O ATOM 953 CB PRO A 409 -2.929 3.602 19.710 1.00 64.13 C ATOM 954 CG PRO A 409 -2.647 4.072 18.292 1.00 40.12 C ATOM 955 CD PRO A 409 -3.442 3.191 17.342 1.00 24.21 C ATOM 0 HA PRO A 409 -4.034 1.833 20.275 1.00 43.53 H new ATOM 0 HB2 PRO A 409 -3.126 4.447 20.370 1.00 64.13 H new ATOM 0 HB3 PRO A 409 -2.073 3.068 20.122 1.00 64.13 H new ATOM 0 HG2 PRO A 409 -2.932 5.117 18.172 1.00 40.12 H new ATOM 0 HG3 PRO A 409 -1.581 4.006 18.073 1.00 40.12 H new ATOM 0 HD2 PRO A 409 -4.090 3.786 16.698 1.00 24.21 H new ATOM 0 HD3 PRO A 409 -2.784 2.618 16.689 1.00 24.21 H new ATOM 963 N PHE A 410 -6.354 3.519 19.127 1.00 1.32 N ATOM 964 CA PHE A 410 -7.631 4.147 19.418 1.00 15.33 C ATOM 965 C PHE A 410 -8.696 3.098 19.746 1.00 10.43 C ATOM 966 O PHE A 410 -9.485 3.278 20.673 1.00 62.01 O ATOM 967 CB PHE A 410 -8.053 4.908 18.160 1.00 41.14 C ATOM 968 CG PHE A 410 -7.626 6.377 18.148 1.00 2.33 C ATOM 969 CD1 PHE A 410 -8.016 7.207 19.153 1.00 21.41 C ATOM 970 CD2 PHE A 410 -6.856 6.854 17.133 1.00 21.14 C ATOM 971 CE1 PHE A 410 -7.619 8.570 19.143 1.00 54.13 C ATOM 972 CE2 PHE A 410 -6.459 8.217 17.123 1.00 15.30 C ATOM 973 CZ PHE A 410 -6.850 9.047 18.128 1.00 65.32 C ATOM 0 H PHE A 410 -6.239 3.215 18.160 1.00 1.32 H new ATOM 0 HA PHE A 410 -7.532 4.808 20.279 1.00 15.33 H new ATOM 0 HB2 PHE A 410 -7.630 4.410 17.288 1.00 41.14 H new ATOM 0 HB3 PHE A 410 -9.137 4.855 18.062 1.00 41.14 H new ATOM 0 HD1 PHE A 410 -8.628 6.829 19.959 1.00 21.41 H new ATOM 0 HD2 PHE A 410 -6.547 6.196 16.335 1.00 21.14 H new ATOM 0 HE1 PHE A 410 -7.928 9.228 19.942 1.00 54.13 H new ATOM 0 HE2 PHE A 410 -5.847 8.595 16.318 1.00 15.30 H new ATOM 0 HZ PHE A 410 -6.550 10.084 18.119 1.00 65.32 H new ATOM 983 N CYS A 411 -8.684 2.026 18.968 1.00 10.21 N ATOM 984 CA CYS A 411 -9.639 0.948 19.164 1.00 3.42 C ATOM 985 C CYS A 411 -8.878 -0.282 19.663 1.00 13.11 C ATOM 986 O CYS A 411 -9.434 -1.378 19.721 1.00 44.02 O ATOM 987 CB CYS A 411 -10.428 0.653 17.887 1.00 21.43 C ATOM 988 SG CYS A 411 -9.658 1.274 16.348 1.00 52.31 S ATOM 0 H CYS A 411 -8.028 1.880 18.201 1.00 10.21 H new ATOM 0 HA CYS A 411 -10.378 1.243 19.909 1.00 3.42 H new ATOM 0 HB2 CYS A 411 -10.562 -0.425 17.800 1.00 21.43 H new ATOM 0 HB3 CYS A 411 -11.422 1.091 17.982 1.00 21.43 H new ATOM 0 HG CYS A 411 -10.409 0.967 15.332 1.00 52.31 H new ATOM 993 N ARG A 412 -7.619 -0.059 20.011 1.00 35.21 N ATOM 994 CA ARG A 412 -6.777 -1.136 20.503 1.00 33.12 C ATOM 995 C ARG A 412 -7.061 -2.427 19.732 1.00 41.31 C ATOM 996 O ARG A 412 -6.925 -3.522 20.275 1.00 4.45 O ATOM 997 CB ARG A 412 -7.011 -1.380 21.995 1.00 31.14 C ATOM 998 CG ARG A 412 -5.859 -2.179 22.608 1.00 45.34 C ATOM 999 CD ARG A 412 -4.532 -1.430 22.458 1.00 75.34 C ATOM 1000 NE ARG A 412 -3.613 -1.805 23.555 1.00 11.44 N ATOM 1001 CZ ARG A 412 -3.580 -1.191 24.757 1.00 3.52 C ATOM 1002 NH1 ARG A 412 -4.416 -0.165 25.026 1.00 22.32 N ATOM 1003 NH2 ARG A 412 -2.717 -1.607 25.665 1.00 31.52 N ATOM 0 H ARG A 412 -7.162 0.852 19.962 1.00 35.21 H new ATOM 0 HA ARG A 412 -5.739 -0.840 20.353 1.00 33.12 H new ATOM 0 HB2 ARG A 412 -7.111 -0.426 22.512 1.00 31.14 H new ATOM 0 HB3 ARG A 412 -7.948 -1.919 22.136 1.00 31.14 H new ATOM 0 HG2 ARG A 412 -6.060 -2.363 23.663 1.00 45.34 H new ATOM 0 HG3 ARG A 412 -5.788 -3.153 22.123 1.00 45.34 H new ATOM 0 HD2 ARG A 412 -4.078 -1.666 21.496 1.00 75.34 H new ATOM 0 HD3 ARG A 412 -4.708 -0.354 22.472 1.00 75.34 H new ATOM 0 HE ARG A 412 -2.964 -2.575 23.393 1.00 11.44 H new ATOM 0 HH11 ARG A 412 -5.079 0.152 24.318 1.00 22.32 H new ATOM 0 HH12 ARG A 412 -4.384 0.293 25.937 1.00 22.32 H new ATOM 0 HH21 ARG A 412 -2.088 -2.382 25.454 1.00 31.52 H new ATOM 0 HH22 ARG A 412 -2.679 -1.154 26.578 1.00 31.52 H new ATOM 1016 N CYS A 413 -7.450 -2.255 18.477 1.00 14.02 N ATOM 1017 CA CYS A 413 -7.754 -3.392 17.626 1.00 74.53 C ATOM 1018 C CYS A 413 -6.906 -3.283 16.357 1.00 32.11 C ATOM 1019 O CYS A 413 -6.642 -2.182 15.876 1.00 71.54 O ATOM 1020 CB CYS A 413 -9.249 -3.478 17.308 1.00 44.43 C ATOM 1021 SG CYS A 413 -9.640 -5.106 16.570 1.00 45.24 S ATOM 0 H CYS A 413 -7.561 -1.345 18.029 1.00 14.02 H new ATOM 0 HA CYS A 413 -7.507 -4.316 18.149 1.00 74.53 H new ATOM 0 HB2 CYS A 413 -9.832 -3.333 18.218 1.00 44.43 H new ATOM 0 HB3 CYS A 413 -9.529 -2.681 16.619 1.00 44.43 H new ATOM 0 HG CYS A 413 -10.911 -5.169 16.306 1.00 45.24 H new ATOM 1027 N GLU A 414 -6.503 -4.440 15.852 1.00 41.42 N ATOM 1028 CA GLU A 414 -5.690 -4.488 14.648 1.00 0.43 C ATOM 1029 C GLU A 414 -6.276 -3.568 13.575 1.00 62.11 C ATOM 1030 O GLU A 414 -7.480 -3.318 13.556 1.00 31.34 O ATOM 1031 CB GLU A 414 -5.561 -5.922 14.131 1.00 42.42 C ATOM 1032 CG GLU A 414 -4.540 -6.004 12.994 1.00 73.32 C ATOM 1033 CD GLU A 414 -3.196 -5.409 13.419 1.00 55.12 C ATOM 1034 OE1 GLU A 414 -2.783 -5.576 14.576 1.00 45.13 O ATOM 1035 OE2 GLU A 414 -2.575 -4.753 12.498 1.00 60.30 O ATOM 0 H GLU A 414 -6.724 -5.351 16.254 1.00 41.42 H new ATOM 0 HA GLU A 414 -4.689 -4.134 14.894 1.00 0.43 H new ATOM 0 HB2 GLU A 414 -5.258 -6.580 14.945 1.00 42.42 H new ATOM 0 HB3 GLU A 414 -6.531 -6.275 13.780 1.00 42.42 H new ATOM 0 HG2 GLU A 414 -4.404 -7.044 12.697 1.00 73.32 H new ATOM 0 HG3 GLU A 414 -4.918 -5.471 12.122 1.00 73.32 H new ATOM 1043 N ILE A 415 -5.397 -3.089 12.707 1.00 63.40 N ATOM 1044 CA ILE A 415 -5.812 -2.203 11.633 1.00 3.11 C ATOM 1045 C ILE A 415 -5.926 -3.002 10.333 1.00 32.14 C ATOM 1046 O ILE A 415 -5.253 -4.017 10.163 1.00 24.13 O ATOM 1047 CB ILE A 415 -4.869 -1.002 11.535 1.00 11.34 C ATOM 1048 CG1 ILE A 415 -4.305 -0.634 12.910 1.00 54.05 C ATOM 1049 CG2 ILE A 415 -5.562 0.186 10.864 1.00 61.44 C ATOM 1050 CD1 ILE A 415 -3.285 0.500 12.798 1.00 41.52 C ATOM 0 H ILE A 415 -4.399 -3.298 12.726 1.00 63.40 H new ATOM 0 HA ILE A 415 -6.799 -1.789 11.841 1.00 3.11 H new ATOM 0 HB ILE A 415 -4.025 -1.281 10.904 1.00 11.34 H new ATOM 0 HG12 ILE A 415 -5.117 -0.333 13.572 1.00 54.05 H new ATOM 0 HG13 ILE A 415 -3.834 -1.508 13.360 1.00 54.05 H new ATOM 0 HG21 ILE A 415 -4.870 1.026 10.807 1.00 61.44 H new ATOM 0 HG22 ILE A 415 -5.875 -0.096 9.858 1.00 61.44 H new ATOM 0 HG23 ILE A 415 -6.436 0.475 11.448 1.00 61.44 H new ATOM 0 HD11 ILE A 415 -2.900 0.742 13.789 1.00 41.52 H new ATOM 0 HD12 ILE A 415 -2.462 0.187 12.155 1.00 41.52 H new ATOM 0 HD13 ILE A 415 -3.765 1.380 12.370 1.00 41.52 H new ATOM 1062 N LYS A 416 -6.784 -2.514 9.450 1.00 52.13 N ATOM 1063 CA LYS A 416 -6.996 -3.170 8.171 1.00 44.05 C ATOM 1064 C LYS A 416 -6.499 -2.258 7.047 1.00 74.25 C ATOM 1065 O LYS A 416 -5.800 -2.708 6.140 1.00 32.32 O ATOM 1066 CB LYS A 416 -8.459 -3.592 8.020 1.00 44.41 C ATOM 1067 CG LYS A 416 -9.074 -3.932 9.379 1.00 41.21 C ATOM 1068 CD LYS A 416 -8.415 -5.174 9.983 1.00 14.54 C ATOM 1069 CE LYS A 416 -9.381 -5.906 10.917 1.00 23.41 C ATOM 1070 NZ LYS A 416 -9.228 -7.372 10.774 1.00 12.50 N ATOM 0 H LYS A 416 -7.341 -1.672 9.595 1.00 52.13 H new ATOM 0 HA LYS A 416 -6.416 -4.091 8.115 1.00 44.05 H new ATOM 0 HB2 LYS A 416 -9.027 -2.788 7.551 1.00 44.41 H new ATOM 0 HB3 LYS A 416 -8.526 -4.457 7.360 1.00 44.41 H new ATOM 0 HG2 LYS A 416 -8.956 -3.087 10.057 1.00 41.21 H new ATOM 0 HG3 LYS A 416 -10.145 -4.103 9.265 1.00 41.21 H new ATOM 0 HD2 LYS A 416 -8.095 -5.845 9.186 1.00 14.54 H new ATOM 0 HD3 LYS A 416 -7.520 -4.884 10.534 1.00 14.54 H new ATOM 0 HE2 LYS A 416 -9.190 -5.613 11.949 1.00 23.41 H new ATOM 0 HE3 LYS A 416 -10.407 -5.617 10.688 1.00 23.41 H new ATOM 0 HZ1 LYS A 416 -9.890 -7.854 11.414 1.00 12.50 H new ATOM 0 HZ2 LYS A 416 -9.432 -7.648 9.792 1.00 12.50 H new ATOM 0 HZ3 LYS A 416 -8.254 -7.644 11.015 1.00 12.50 H new ATOM 1083 N GLY A 417 -6.881 -0.993 7.142 1.00 3.04 N ATOM 1084 CA GLY A 417 -6.483 -0.014 6.145 1.00 54.10 C ATOM 1085 C GLY A 417 -5.707 1.138 6.786 1.00 15.43 C ATOM 1086 O GLY A 417 -6.156 1.721 7.773 1.00 72.45 O ATOM 0 H GLY A 417 -7.462 -0.623 7.894 1.00 3.04 H new ATOM 0 HA2 GLY A 417 -5.866 -0.494 5.385 1.00 54.10 H new ATOM 0 HA3 GLY A 417 -7.367 0.375 5.639 1.00 54.10 H new ATOM 1090 N THR A 418 -4.556 1.433 6.200 1.00 15.11 N ATOM 1091 CA THR A 418 -3.714 2.505 6.702 1.00 40.40 C ATOM 1092 C THR A 418 -2.862 3.087 5.572 1.00 11.43 C ATOM 1093 O THR A 418 -2.300 2.345 4.769 1.00 43.45 O ATOM 1094 CB THR A 418 -2.886 1.952 7.864 1.00 55.02 C ATOM 1095 OG1 THR A 418 -2.127 0.899 7.278 1.00 64.50 O ATOM 1096 CG2 THR A 418 -3.749 1.250 8.915 1.00 62.34 C ATOM 0 H THR A 418 -4.187 0.948 5.382 1.00 15.11 H new ATOM 0 HA THR A 418 -4.312 3.335 7.077 1.00 40.40 H new ATOM 0 HB THR A 418 -2.331 2.764 8.334 1.00 55.02 H new ATOM 0 HG1 THR A 418 -1.933 1.117 6.343 1.00 64.50 H new ATOM 0 HG21 THR A 418 -3.113 0.876 9.717 1.00 62.34 H new ATOM 0 HG22 THR A 418 -4.471 1.957 9.324 1.00 62.34 H new ATOM 0 HG23 THR A 418 -4.278 0.416 8.453 1.00 62.34 H new ATOM 1104 N GLU A 419 -2.794 4.410 5.547 1.00 2.32 N ATOM 1105 CA GLU A 419 -2.020 5.101 4.529 1.00 31.43 C ATOM 1106 C GLU A 419 -1.864 6.579 4.892 1.00 32.34 C ATOM 1107 O GLU A 419 -2.728 7.154 5.552 1.00 32.13 O ATOM 1108 CB GLU A 419 -2.662 4.940 3.150 1.00 63.32 C ATOM 1109 CG GLU A 419 -4.015 5.650 3.088 1.00 13.33 C ATOM 1110 CD GLU A 419 -5.139 4.733 3.575 1.00 23.23 C ATOM 1111 OE1 GLU A 419 -4.901 3.542 3.827 1.00 13.13 O ATOM 1112 OE2 GLU A 419 -6.293 5.298 3.690 1.00 22.43 O ATOM 0 H GLU A 419 -3.262 5.022 6.215 1.00 2.32 H new ATOM 0 HA GLU A 419 -1.028 4.651 4.487 1.00 31.43 H new ATOM 0 HB2 GLU A 419 -1.999 5.347 2.387 1.00 63.32 H new ATOM 0 HB3 GLU A 419 -2.793 3.881 2.927 1.00 63.32 H new ATOM 0 HG2 GLU A 419 -3.985 6.551 3.700 1.00 13.33 H new ATOM 0 HG3 GLU A 419 -4.217 5.967 2.065 1.00 13.33 H new ATOM 1120 N PRO A 420 -0.727 7.166 4.434 1.00 42.53 N ATOM 1121 CA PRO A 420 -0.447 8.566 4.703 1.00 4.53 C ATOM 1122 C PRO A 420 -1.311 9.477 3.829 1.00 71.01 C ATOM 1123 O PRO A 420 -1.024 9.664 2.647 1.00 32.24 O ATOM 1124 CB PRO A 420 1.042 8.728 4.440 1.00 74.25 C ATOM 1125 CG PRO A 420 1.446 7.534 3.590 1.00 50.25 C ATOM 1126 CD PRO A 420 0.319 6.516 3.649 1.00 12.31 C ATOM 0 HA PRO A 420 -0.691 8.854 5.726 1.00 4.53 H new ATOM 0 HB2 PRO A 420 1.248 9.664 3.921 1.00 74.25 H new ATOM 0 HB3 PRO A 420 1.604 8.751 5.374 1.00 74.25 H new ATOM 0 HG2 PRO A 420 1.628 7.843 2.561 1.00 50.25 H new ATOM 0 HG3 PRO A 420 2.374 7.098 3.961 1.00 50.25 H new ATOM 0 HD2 PRO A 420 -0.036 6.260 2.651 1.00 12.31 H new ATOM 0 HD3 PRO A 420 0.647 5.588 4.118 1.00 12.31 H new ATOM 1134 N ILE A 421 -2.352 10.020 4.443 1.00 30.42 N ATOM 1135 CA ILE A 421 -3.260 10.906 3.736 1.00 51.24 C ATOM 1136 C ILE A 421 -2.975 12.353 4.144 1.00 70.20 C ATOM 1137 O ILE A 421 -2.432 12.603 5.219 1.00 61.40 O ATOM 1138 CB ILE A 421 -4.711 10.478 3.961 1.00 35.04 C ATOM 1139 CG1 ILE A 421 -5.283 11.124 5.225 1.00 32.54 C ATOM 1140 CG2 ILE A 421 -4.835 8.953 3.990 1.00 11.23 C ATOM 1141 CD1 ILE A 421 -5.904 12.487 4.912 1.00 23.42 C ATOM 0 H ILE A 421 -2.587 9.863 5.423 1.00 30.42 H new ATOM 0 HA ILE A 421 -3.096 10.839 2.660 1.00 51.24 H new ATOM 0 HB ILE A 421 -5.306 10.833 3.120 1.00 35.04 H new ATOM 0 HG12 ILE A 421 -6.036 10.469 5.663 1.00 32.54 H new ATOM 0 HG13 ILE A 421 -4.493 11.242 5.967 1.00 32.54 H new ATOM 0 HG21 ILE A 421 -5.877 8.676 4.151 1.00 11.23 H new ATOM 0 HG22 ILE A 421 -4.493 8.542 3.040 1.00 11.23 H new ATOM 0 HG23 ILE A 421 -4.224 8.554 4.799 1.00 11.23 H new ATOM 0 HD11 ILE A 421 -6.303 12.924 5.827 1.00 23.42 H new ATOM 0 HD12 ILE A 421 -5.142 13.147 4.497 1.00 23.42 H new ATOM 0 HD13 ILE A 421 -6.710 12.362 4.189 1.00 23.42 H new ATOM 1153 N ILE A 422 -3.354 13.268 3.264 1.00 12.02 N ATOM 1154 CA ILE A 422 -3.146 14.683 3.520 1.00 51.33 C ATOM 1155 C ILE A 422 -4.498 15.357 3.762 1.00 10.44 C ATOM 1156 O ILE A 422 -5.266 15.571 2.826 1.00 72.12 O ATOM 1157 CB ILE A 422 -2.336 15.319 2.388 1.00 74.33 C ATOM 1158 CG1 ILE A 422 -1.015 14.577 2.176 1.00 50.15 C ATOM 1159 CG2 ILE A 422 -2.121 16.813 2.639 1.00 34.50 C ATOM 1160 CD1 ILE A 422 -0.095 15.355 1.232 1.00 73.30 C ATOM 0 H ILE A 422 -3.804 13.057 2.373 1.00 12.02 H new ATOM 0 HA ILE A 422 -2.553 14.823 4.424 1.00 51.33 H new ATOM 0 HB ILE A 422 -2.909 15.228 1.465 1.00 74.33 H new ATOM 0 HG12 ILE A 422 -0.518 14.430 3.135 1.00 50.15 H new ATOM 0 HG13 ILE A 422 -1.212 13.587 1.764 1.00 50.15 H new ATOM 0 HG21 ILE A 422 -1.543 17.240 1.820 1.00 34.50 H new ATOM 0 HG22 ILE A 422 -3.087 17.314 2.701 1.00 34.50 H new ATOM 0 HG23 ILE A 422 -1.580 16.950 3.575 1.00 34.50 H new ATOM 0 HD11 ILE A 422 0.837 14.806 1.098 1.00 73.30 H new ATOM 0 HD12 ILE A 422 -0.585 15.479 0.266 1.00 73.30 H new ATOM 0 HD13 ILE A 422 0.119 16.335 1.658 1.00 73.30 H new ATOM 1172 N VAL A 423 -4.747 15.674 5.025 1.00 73.15 N ATOM 1173 CA VAL A 423 -5.993 16.319 5.402 1.00 11.42 C ATOM 1174 C VAL A 423 -5.923 17.805 5.041 1.00 23.42 C ATOM 1175 O VAL A 423 -4.855 18.412 5.102 1.00 21.03 O ATOM 1176 CB VAL A 423 -6.279 16.078 6.886 1.00 71.33 C ATOM 1177 CG1 VAL A 423 -7.687 16.548 7.256 1.00 1.14 C ATOM 1178 CG2 VAL A 423 -6.079 14.605 7.250 1.00 53.14 C ATOM 0 H VAL A 423 -4.107 15.496 5.799 1.00 73.15 H new ATOM 0 HA VAL A 423 -6.828 15.889 4.849 1.00 11.42 H new ATOM 0 HB VAL A 423 -5.567 16.666 7.465 1.00 71.33 H new ATOM 0 HG11 VAL A 423 -7.865 16.365 8.316 1.00 1.14 H new ATOM 0 HG12 VAL A 423 -7.780 17.614 7.051 1.00 1.14 H new ATOM 0 HG13 VAL A 423 -8.421 15.999 6.665 1.00 1.14 H new ATOM 0 HG21 VAL A 423 -6.288 14.460 8.310 1.00 53.14 H new ATOM 0 HG22 VAL A 423 -6.757 13.989 6.659 1.00 53.14 H new ATOM 0 HG23 VAL A 423 -5.049 14.315 7.041 1.00 53.14 H new ATOM 1188 N ASP A 424 -7.074 18.347 4.673 1.00 33.51 N ATOM 1189 CA ASP A 424 -7.157 19.749 4.302 1.00 2.03 C ATOM 1190 C ASP A 424 -8.294 20.412 5.082 1.00 0.21 C ATOM 1191 O ASP A 424 -9.330 19.794 5.321 1.00 14.51 O ATOM 1192 CB ASP A 424 -7.452 19.908 2.810 1.00 61.45 C ATOM 1193 CG ASP A 424 -6.272 19.612 1.882 1.00 24.01 C ATOM 1194 OD1 ASP A 424 -5.164 19.295 2.340 1.00 64.13 O ATOM 1195 OD2 ASP A 424 -6.528 19.720 0.622 1.00 22.23 O ATOM 0 H ASP A 424 -7.958 17.840 4.624 1.00 33.51 H new ATOM 0 HA ASP A 424 -6.199 20.215 4.531 1.00 2.03 H new ATOM 0 HB2 ASP A 424 -8.277 19.247 2.546 1.00 61.45 H new ATOM 0 HB3 ASP A 424 -7.790 20.928 2.629 1.00 61.45 H new ATOM 1201 N PRO A 425 -8.055 21.695 5.467 1.00 34.51 N ATOM 1202 CA PRO A 425 -9.047 22.448 6.215 1.00 53.20 C ATOM 1203 C PRO A 425 -10.194 22.898 5.307 1.00 62.42 C ATOM 1204 O PRO A 425 -10.140 22.708 4.093 1.00 64.03 O ATOM 1205 CB PRO A 425 -8.281 23.611 6.824 1.00 41.23 C ATOM 1206 CG PRO A 425 -6.995 23.728 6.022 1.00 50.54 C ATOM 1207 CD PRO A 425 -6.840 22.458 5.202 1.00 44.12 C ATOM 0 HA PRO A 425 -9.528 21.854 6.992 1.00 53.20 H new ATOM 0 HB2 PRO A 425 -8.861 24.532 6.769 1.00 41.23 H new ATOM 0 HB3 PRO A 425 -8.069 23.430 7.878 1.00 41.23 H new ATOM 0 HG2 PRO A 425 -7.030 24.601 5.370 1.00 50.54 H new ATOM 0 HG3 PRO A 425 -6.141 23.860 6.687 1.00 50.54 H new ATOM 0 HD2 PRO A 425 -6.737 22.682 4.140 1.00 44.12 H new ATOM 0 HD3 PRO A 425 -5.951 21.902 5.498 1.00 44.12 H new ATOM 1215 N PHE A 426 -11.205 23.485 5.930 1.00 24.23 N ATOM 1216 CA PHE A 426 -12.362 23.963 5.194 1.00 72.15 C ATOM 1217 C PHE A 426 -11.979 25.106 4.252 1.00 40.40 C ATOM 1218 O PHE A 426 -10.972 25.780 4.465 1.00 21.50 O ATOM 1219 CB PHE A 426 -13.366 24.482 6.225 1.00 3.01 C ATOM 1220 CG PHE A 426 -14.543 25.248 5.618 1.00 62.15 C ATOM 1221 CD1 PHE A 426 -14.345 26.477 5.071 1.00 4.51 C ATOM 1222 CD2 PHE A 426 -15.787 24.699 5.624 1.00 51.11 C ATOM 1223 CE1 PHE A 426 -15.437 27.188 4.507 1.00 1.23 C ATOM 1224 CE2 PHE A 426 -16.879 25.410 5.060 1.00 35.01 C ATOM 1225 CZ PHE A 426 -16.681 26.640 4.514 1.00 73.53 C ATOM 0 H PHE A 426 -11.247 23.640 6.937 1.00 24.23 H new ATOM 0 HA PHE A 426 -12.779 23.156 4.592 1.00 72.15 H new ATOM 0 HB2 PHE A 426 -13.752 23.639 6.798 1.00 3.01 H new ATOM 0 HB3 PHE A 426 -12.846 25.133 6.927 1.00 3.01 H new ATOM 0 HD1 PHE A 426 -13.357 26.913 5.066 1.00 4.51 H new ATOM 0 HD2 PHE A 426 -15.944 23.722 6.058 1.00 51.11 H new ATOM 0 HE1 PHE A 426 -15.279 28.164 4.072 1.00 1.23 H new ATOM 0 HE2 PHE A 426 -17.867 24.974 5.065 1.00 35.01 H new ATOM 0 HZ PHE A 426 -17.512 27.181 4.086 1.00 73.53 H new