USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=24 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 388 CYS SG : rot -175:sc= -5.4! USER MOD Set 1.2: A 390 HIS : no HD1:sc= -8.54! C(o=-24!,f=-27!) USER MOD Set 1.3: A 392 MET CE :methyl 139:sc= -4.11! (180deg=-8.03!) USER MOD Set 1.4: A 408 CYS SG : rot -49:sc= -6.23 USER MOD Set 1.5: A 411 CYS SG : rot -153:sc= 0.433 USER MOD Set 2.1: A 373 CYS SG : rot 177:sc= 0.575 USER MOD Set 2.2: A 376 CYS SG : rot 106:sc= -1.8 USER MOD Set 2.3: A 393 CYS SG : rot -1:sc= -19.2! USER MOD Set 2.4: A 396 CYS SG : rot -114:sc= -21.8! USER MOD Single : A 350 SER OG : rot -84:sc= 0.385 USER MOD Single : A 352 HIS : no HD1:sc= -1.96 K(o=-2,f=-2.7!) USER MOD Single : A 354 LYS NZ :NH3+ 148:sc= -0.402 (180deg=-1.81!) USER MOD Single : A 356 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 357 GLN : amide:sc= -1.46 K(o=-1.5,f=0.72) USER MOD Single : A 359 GLN : amide:sc=-0.00585 K(o=-0.0058,f=-0.59) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 68:sc= 0.0335 USER MOD Single : A 366 MET CE :methyl -151:sc= -0.897 (180deg=-1.17) USER MOD Single : A 368 SER OG : rot -139:sc= 0.163 USER MOD Single : A 369 THR OG1 : rot -160:sc= -1.42 USER MOD Single : A 371 GLN : amide:sc= -6.62! C(o=-6.6!,f=-7!) USER MOD Single : A 374 LYS NZ :NH3+ -170:sc= -0.389 (180deg=-1.06!) USER MOD Single : A 379 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.8) USER MOD Single : A 381 LYS NZ :NH3+ 160:sc= 0.246 (180deg=-0.629) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 401 GLN : amide:sc= -2.37! C(o=-2.4!,f=-3.5!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc=-0.00792 K(o=-0.0079,f=-0.69) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 43:sc= 0.259 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 350 -0.592 9.285 -1.741 1.00 71.22 N ATOM 64 CA SER A 350 -1.324 9.729 -0.567 1.00 73.32 C ATOM 65 C SER A 350 -2.734 10.170 -0.966 1.00 32.33 C ATOM 66 O SER A 350 -2.965 10.568 -2.106 1.00 61.34 O ATOM 67 CB SER A 350 -0.591 10.870 0.140 1.00 11.20 C ATOM 68 OG SER A 350 0.689 10.467 0.618 1.00 22.14 O ATOM 0 HA SER A 350 -1.395 8.893 0.129 1.00 73.32 H new ATOM 0 HB2 SER A 350 -0.474 11.707 -0.548 1.00 11.20 H new ATOM 0 HB3 SER A 350 -1.194 11.226 0.975 1.00 11.20 H new ATOM 0 HG SER A 350 0.591 10.042 1.495 1.00 22.14 H new ATOM 74 N ASP A 351 -3.641 10.084 -0.003 1.00 45.11 N ATOM 75 CA ASP A 351 -5.022 10.469 -0.239 1.00 45.41 C ATOM 76 C ASP A 351 -5.247 11.889 0.284 1.00 42.51 C ATOM 77 O ASP A 351 -4.374 12.461 0.935 1.00 24.21 O ATOM 78 CB ASP A 351 -5.987 9.537 0.495 1.00 23.41 C ATOM 79 CG ASP A 351 -6.408 8.294 -0.291 1.00 74.50 C ATOM 80 OD1 ASP A 351 -7.398 7.628 0.049 1.00 52.43 O ATOM 81 OD2 ASP A 351 -5.663 8.012 -1.306 1.00 34.53 O ATOM 0 H ASP A 351 -3.446 9.753 0.942 1.00 45.11 H new ATOM 0 HA ASP A 351 -5.210 10.410 -1.311 1.00 45.41 H new ATOM 0 HB2 ASP A 351 -5.522 9.218 1.428 1.00 23.41 H new ATOM 0 HB3 ASP A 351 -6.881 10.101 0.761 1.00 23.41 H new ATOM 87 N HIS A 352 -6.423 12.418 -0.021 1.00 3.43 N ATOM 88 CA HIS A 352 -6.774 13.761 0.410 1.00 22.24 C ATOM 89 C HIS A 352 -8.153 13.743 1.072 1.00 31.14 C ATOM 90 O HIS A 352 -9.121 13.260 0.486 1.00 1.43 O ATOM 91 CB HIS A 352 -6.689 14.746 -0.757 1.00 73.11 C ATOM 92 CG HIS A 352 -5.308 15.313 -0.984 1.00 20.34 C ATOM 93 ND1 HIS A 352 -4.571 15.914 0.021 1.00 4.52 N ATOM 94 CD2 HIS A 352 -4.538 15.362 -2.108 1.00 72.15 C ATOM 95 CE1 HIS A 352 -3.411 16.305 -0.488 1.00 15.44 C ATOM 96 NE2 HIS A 352 -3.394 15.963 -1.808 1.00 25.43 N ATOM 0 H HIS A 352 -7.145 11.941 -0.561 1.00 3.43 H new ATOM 0 HA HIS A 352 -6.057 14.107 1.154 1.00 22.24 H new ATOM 0 HB2 HIS A 352 -7.019 14.244 -1.667 1.00 73.11 H new ATOM 0 HB3 HIS A 352 -7.383 15.567 -0.577 1.00 73.11 H new ATOM 0 HD2 HIS A 352 -4.813 14.977 -3.079 1.00 72.15 H new ATOM 0 HE1 HIS A 352 -2.619 16.806 0.048 1.00 15.44 H new ATOM 0 HE2 HIS A 352 -2.628 16.140 -2.458 1.00 25.43 H new ATOM 104 N ILE A 353 -8.199 14.275 2.285 1.00 21.20 N ATOM 105 CA ILE A 353 -9.443 14.326 3.033 1.00 15.12 C ATOM 106 C ILE A 353 -9.844 15.787 3.250 1.00 65.14 C ATOM 107 O ILE A 353 -9.047 16.586 3.739 1.00 12.33 O ATOM 108 CB ILE A 353 -9.323 13.523 4.330 1.00 44.01 C ATOM 109 CG1 ILE A 353 -9.175 12.028 4.037 1.00 0.44 C ATOM 110 CG2 ILE A 353 -10.499 13.811 5.265 1.00 72.33 C ATOM 111 CD1 ILE A 353 -9.128 11.218 5.334 1.00 21.03 C ATOM 0 H ILE A 353 -7.394 14.674 2.768 1.00 21.20 H new ATOM 0 HA ILE A 353 -10.246 13.855 2.467 1.00 15.12 H new ATOM 0 HB ILE A 353 -8.417 13.841 4.846 1.00 44.01 H new ATOM 0 HG12 ILE A 353 -10.009 11.690 3.423 1.00 0.44 H new ATOM 0 HG13 ILE A 353 -8.265 11.855 3.462 1.00 0.44 H new ATOM 0 HG21 ILE A 353 -10.389 13.227 6.179 1.00 72.33 H new ATOM 0 HG22 ILE A 353 -10.516 14.872 5.512 1.00 72.33 H new ATOM 0 HG23 ILE A 353 -11.432 13.539 4.771 1.00 72.33 H new ATOM 0 HD11 ILE A 353 -9.023 10.159 5.098 1.00 21.03 H new ATOM 0 HD12 ILE A 353 -8.278 11.542 5.935 1.00 21.03 H new ATOM 0 HD13 ILE A 353 -10.050 11.375 5.894 1.00 21.03 H new ATOM 123 N LYS A 354 -11.077 16.091 2.874 1.00 11.21 N ATOM 124 CA LYS A 354 -11.593 17.442 3.021 1.00 65.21 C ATOM 125 C LYS A 354 -12.577 17.483 4.192 1.00 64.02 C ATOM 126 O LYS A 354 -13.598 16.798 4.173 1.00 21.33 O ATOM 127 CB LYS A 354 -12.187 17.935 1.700 1.00 31.12 C ATOM 128 CG LYS A 354 -12.606 19.403 1.802 1.00 42.12 C ATOM 129 CD LYS A 354 -11.385 20.312 1.955 1.00 3.10 C ATOM 130 CE LYS A 354 -11.446 21.483 0.973 1.00 54.53 C ATOM 131 NZ LYS A 354 -12.826 22.010 0.880 1.00 15.23 N ATOM 0 H LYS A 354 -11.734 15.425 2.468 1.00 11.21 H new ATOM 0 HA LYS A 354 -10.786 18.135 3.259 1.00 65.21 H new ATOM 0 HB2 LYS A 354 -11.455 17.817 0.901 1.00 31.12 H new ATOM 0 HB3 LYS A 354 -13.050 17.324 1.435 1.00 31.12 H new ATOM 0 HG2 LYS A 354 -13.167 19.688 0.912 1.00 42.12 H new ATOM 0 HG3 LYS A 354 -13.272 19.536 2.654 1.00 42.12 H new ATOM 0 HD2 LYS A 354 -11.335 20.691 2.976 1.00 3.10 H new ATOM 0 HD3 LYS A 354 -10.475 19.737 1.784 1.00 3.10 H new ATOM 0 HE2 LYS A 354 -10.770 22.274 1.298 1.00 54.53 H new ATOM 0 HE3 LYS A 354 -11.107 21.158 -0.011 1.00 54.53 H new ATOM 0 HZ1 LYS A 354 -12.795 23.033 0.696 1.00 15.23 H new ATOM 0 HZ2 LYS A 354 -13.328 21.533 0.104 1.00 15.23 H new ATOM 0 HZ3 LYS A 354 -13.326 21.834 1.775 1.00 15.23 H new ATOM 144 N VAL A 355 -12.235 18.293 5.182 1.00 5.54 N ATOM 145 CA VAL A 355 -13.075 18.433 6.359 1.00 11.04 C ATOM 146 C VAL A 355 -14.459 18.930 5.936 1.00 2.55 C ATOM 147 O VAL A 355 -14.632 19.422 4.822 1.00 21.32 O ATOM 148 CB VAL A 355 -12.397 19.348 7.381 1.00 13.31 C ATOM 149 CG1 VAL A 355 -13.370 19.743 8.494 1.00 71.00 C ATOM 150 CG2 VAL A 355 -11.142 18.691 7.958 1.00 44.23 C ATOM 0 H VAL A 355 -11.387 18.860 5.194 1.00 5.54 H new ATOM 0 HA VAL A 355 -13.211 17.468 6.848 1.00 11.04 H new ATOM 0 HB VAL A 355 -12.091 20.258 6.865 1.00 13.31 H new ATOM 0 HG11 VAL A 355 -12.863 20.393 9.207 1.00 71.00 H new ATOM 0 HG12 VAL A 355 -14.221 20.271 8.063 1.00 71.00 H new ATOM 0 HG13 VAL A 355 -13.720 18.847 9.006 1.00 71.00 H new ATOM 0 HG21 VAL A 355 -10.680 19.362 8.681 1.00 44.23 H new ATOM 0 HG22 VAL A 355 -11.414 17.758 8.451 1.00 44.23 H new ATOM 0 HG23 VAL A 355 -10.437 18.484 7.153 1.00 44.23 H new ATOM 160 N THR A 356 -15.409 18.786 6.849 1.00 63.13 N ATOM 161 CA THR A 356 -16.772 19.214 6.584 1.00 3.53 C ATOM 162 C THR A 356 -17.227 20.226 7.638 1.00 23.11 C ATOM 163 O THR A 356 -16.833 20.137 8.800 1.00 22.10 O ATOM 164 CB THR A 356 -17.655 17.967 6.518 1.00 11.00 C ATOM 165 OG1 THR A 356 -17.157 17.133 7.561 1.00 40.23 O ATOM 166 CG2 THR A 356 -17.422 17.151 5.245 1.00 43.22 C ATOM 0 H THR A 356 -15.261 18.379 7.773 1.00 63.13 H new ATOM 0 HA THR A 356 -16.845 19.732 5.628 1.00 3.53 H new ATOM 0 HB THR A 356 -18.703 18.261 6.573 1.00 11.00 H new ATOM 0 HG1 THR A 356 -17.675 16.302 7.590 1.00 40.23 H new ATOM 0 HG21 THR A 356 -18.074 16.277 5.249 1.00 43.22 H new ATOM 0 HG22 THR A 356 -17.644 17.766 4.373 1.00 43.22 H new ATOM 0 HG23 THR A 356 -16.382 16.828 5.205 1.00 43.22 H new ATOM 174 N GLN A 357 -18.050 21.165 7.195 1.00 63.44 N ATOM 175 CA GLN A 357 -18.563 22.192 8.085 1.00 24.01 C ATOM 176 C GLN A 357 -18.966 21.578 9.427 1.00 11.11 C ATOM 177 O GLN A 357 -18.517 22.028 10.480 1.00 41.41 O ATOM 178 CB GLN A 357 -19.738 22.934 7.446 1.00 1.43 C ATOM 179 CG GLN A 357 -19.245 24.042 6.513 1.00 2.22 C ATOM 180 CD GLN A 357 -20.245 25.198 6.458 1.00 13.51 C ATOM 181 OE1 GLN A 357 -19.886 26.359 6.349 1.00 54.43 O ATOM 182 NE2 GLN A 357 -21.517 24.818 6.540 1.00 71.23 N ATOM 0 H GLN A 357 -18.374 21.236 6.231 1.00 63.44 H new ATOM 0 HA GLN A 357 -17.771 22.919 8.264 1.00 24.01 H new ATOM 0 HB2 GLN A 357 -20.356 22.231 6.887 1.00 1.43 H new ATOM 0 HB3 GLN A 357 -20.368 23.363 8.225 1.00 1.43 H new ATOM 0 HG2 GLN A 357 -18.278 24.409 6.858 1.00 2.22 H new ATOM 0 HG3 GLN A 357 -19.094 23.639 5.512 1.00 2.22 H new ATOM 0 HE21 GLN A 357 -21.749 23.829 6.630 1.00 71.23 H new ATOM 0 HE22 GLN A 357 -22.260 25.516 6.513 1.00 71.23 H new ATOM 191 N GLU A 358 -19.809 20.559 9.346 1.00 54.40 N ATOM 192 CA GLU A 358 -20.278 19.879 10.541 1.00 15.12 C ATOM 193 C GLU A 358 -19.136 19.724 11.547 1.00 62.03 C ATOM 194 O GLU A 358 -19.331 19.908 12.747 1.00 13.01 O ATOM 195 CB GLU A 358 -20.892 18.521 10.194 1.00 25.01 C ATOM 196 CG GLU A 358 -20.138 17.858 9.039 1.00 3.05 C ATOM 197 CD GLU A 358 -20.405 16.352 9.003 1.00 31.01 C ATOM 198 OE1 GLU A 358 -20.797 15.767 10.024 1.00 44.01 O ATOM 199 OE2 GLU A 358 -20.193 15.788 7.862 1.00 13.13 O ATOM 0 H GLU A 358 -20.179 20.188 8.471 1.00 54.40 H new ATOM 0 HA GLU A 358 -21.058 20.487 10.999 1.00 15.12 H new ATOM 0 HB2 GLU A 358 -20.867 17.872 11.069 1.00 25.01 H new ATOM 0 HB3 GLU A 358 -21.940 18.650 9.923 1.00 25.01 H new ATOM 0 HG2 GLU A 358 -20.444 18.308 8.094 1.00 3.05 H new ATOM 0 HG3 GLU A 358 -19.069 18.039 9.147 1.00 3.05 H new ATOM 207 N GLN A 359 -17.968 19.387 11.020 1.00 61.04 N ATOM 208 CA GLN A 359 -16.794 19.205 11.856 1.00 2.02 C ATOM 209 C GLN A 359 -16.366 20.540 12.468 1.00 10.52 C ATOM 210 O GLN A 359 -16.450 20.727 13.681 1.00 31.31 O ATOM 211 CB GLN A 359 -15.648 18.573 11.063 1.00 11.41 C ATOM 212 CG GLN A 359 -16.113 17.306 10.343 1.00 52.34 C ATOM 213 CD GLN A 359 -15.892 16.068 11.213 1.00 22.23 C ATOM 214 OE1 GLN A 359 -16.459 15.920 12.283 1.00 32.03 O ATOM 215 NE2 GLN A 359 -15.037 15.189 10.697 1.00 55.02 N ATOM 0 H GLN A 359 -17.810 19.235 10.024 1.00 61.04 H new ATOM 0 HA GLN A 359 -17.051 18.522 12.666 1.00 2.02 H new ATOM 0 HB2 GLN A 359 -15.266 19.289 10.336 1.00 11.41 H new ATOM 0 HB3 GLN A 359 -14.825 18.332 11.736 1.00 11.41 H new ATOM 0 HG2 GLN A 359 -17.170 17.394 10.091 1.00 52.34 H new ATOM 0 HG3 GLN A 359 -15.570 17.197 9.404 1.00 52.34 H new ATOM 0 HE21 GLN A 359 -14.597 15.374 9.796 1.00 55.02 H new ATOM 0 HE22 GLN A 359 -14.822 14.330 11.203 1.00 55.02 H new ATOM 224 N TYR A 360 -15.917 21.436 11.601 1.00 65.51 N ATOM 225 CA TYR A 360 -15.475 22.748 12.041 1.00 54.20 C ATOM 226 C TYR A 360 -16.402 23.304 13.124 1.00 34.52 C ATOM 227 O TYR A 360 -15.943 23.709 14.191 1.00 55.22 O ATOM 228 CB TYR A 360 -15.550 23.653 10.809 1.00 33.15 C ATOM 229 CG TYR A 360 -14.666 24.898 10.898 1.00 43.15 C ATOM 230 CD1 TYR A 360 -13.308 24.767 11.110 1.00 35.12 C ATOM 231 CD2 TYR A 360 -15.225 26.153 10.764 1.00 31.12 C ATOM 232 CE1 TYR A 360 -12.476 25.939 11.193 1.00 20.11 C ATOM 233 CE2 TYR A 360 -14.393 27.325 10.847 1.00 24.11 C ATOM 234 CZ TYR A 360 -13.059 27.160 11.057 1.00 11.05 C ATOM 235 OH TYR A 360 -12.273 28.267 11.136 1.00 62.03 O ATOM 0 H TYR A 360 -15.850 21.279 10.595 1.00 65.51 H new ATOM 0 HA TYR A 360 -14.470 22.694 12.460 1.00 54.20 H new ATOM 0 HB2 TYR A 360 -15.262 23.077 9.930 1.00 33.15 H new ATOM 0 HB3 TYR A 360 -16.584 23.964 10.661 1.00 33.15 H new ATOM 0 HD1 TYR A 360 -12.870 23.785 11.214 1.00 35.12 H new ATOM 0 HD2 TYR A 360 -16.287 26.256 10.597 1.00 31.12 H new ATOM 0 HE1 TYR A 360 -11.413 25.850 11.360 1.00 20.11 H new ATOM 0 HE2 TYR A 360 -14.818 28.313 10.745 1.00 24.11 H new ATOM 0 HH TYR A 360 -12.824 29.069 11.020 1.00 62.03 H new ATOM 245 N GLU A 361 -17.690 23.304 12.813 1.00 72.12 N ATOM 246 CA GLU A 361 -18.686 23.803 13.746 1.00 22.33 C ATOM 247 C GLU A 361 -18.572 23.071 15.085 1.00 21.21 C ATOM 248 O GLU A 361 -18.626 23.694 16.144 1.00 51.30 O ATOM 249 CB GLU A 361 -20.096 23.670 13.167 1.00 4.11 C ATOM 250 CG GLU A 361 -20.255 24.527 11.910 1.00 64.14 C ATOM 251 CD GLU A 361 -21.701 24.999 11.747 1.00 1.01 C ATOM 252 OE1 GLU A 361 -22.619 24.391 12.317 1.00 52.01 O ATOM 253 OE2 GLU A 361 -21.854 26.038 10.998 1.00 14.11 O ATOM 0 H GLU A 361 -18.067 22.966 11.927 1.00 72.12 H new ATOM 0 HA GLU A 361 -18.497 24.863 13.916 1.00 22.33 H new ATOM 0 HB2 GLU A 361 -20.298 22.626 12.928 1.00 4.11 H new ATOM 0 HB3 GLU A 361 -20.830 23.973 13.914 1.00 4.11 H new ATOM 0 HG2 GLU A 361 -19.591 25.390 11.968 1.00 64.14 H new ATOM 0 HG3 GLU A 361 -19.955 23.952 11.034 1.00 64.14 H new ATOM 261 N LEU A 362 -18.416 21.758 14.994 1.00 13.22 N ATOM 262 CA LEU A 362 -18.294 20.935 16.185 1.00 33.22 C ATOM 263 C LEU A 362 -17.030 21.334 16.949 1.00 52.31 C ATOM 264 O LEU A 362 -16.974 21.304 18.179 1.00 63.53 O ATOM 265 CB LEU A 362 -18.348 19.450 15.818 1.00 2.41 C ATOM 266 CG LEU A 362 -18.377 18.470 16.992 1.00 33.22 C ATOM 267 CD1 LEU A 362 -19.047 17.154 16.591 1.00 62.03 C ATOM 268 CD2 LEU A 362 -16.973 18.249 17.558 1.00 40.22 C ATOM 0 H LEU A 362 -18.371 21.244 14.114 1.00 13.22 H new ATOM 0 HA LEU A 362 -19.138 21.106 16.854 1.00 33.22 H new ATOM 0 HB2 LEU A 362 -19.234 19.279 15.206 1.00 2.41 H new ATOM 0 HB3 LEU A 362 -17.482 19.218 15.198 1.00 2.41 H new ATOM 0 HG LEU A 362 -18.979 18.909 17.788 1.00 33.22 H new ATOM 0 HD11 LEU A 362 -19.055 16.475 17.444 1.00 62.03 H new ATOM 0 HD12 LEU A 362 -20.071 17.349 16.273 1.00 62.03 H new ATOM 0 HD13 LEU A 362 -18.493 16.699 15.770 1.00 62.03 H new ATOM 0 HD21 LEU A 362 -17.023 17.548 18.391 1.00 40.22 H new ATOM 0 HD22 LEU A 362 -16.327 17.842 16.780 1.00 40.22 H new ATOM 0 HD23 LEU A 362 -16.568 19.199 17.906 1.00 40.22 H new ATOM 304 N CYS A 364 -15.746 24.318 16.613 1.00 24.22 N ATOM 305 CA CYS A 364 -15.862 25.740 16.886 1.00 54.31 C ATOM 306 C CYS A 364 -16.140 25.922 18.379 1.00 33.24 C ATOM 307 O CYS A 364 -15.688 26.892 18.985 1.00 23.12 O ATOM 308 CB CYS A 364 -16.941 26.395 16.021 1.00 40.42 C ATOM 309 SG CYS A 364 -16.211 26.984 14.450 1.00 42.25 S ATOM 0 HA CYS A 364 -14.928 26.240 16.628 1.00 54.31 H new ATOM 0 HB2 CYS A 364 -17.738 25.680 15.816 1.00 40.42 H new ATOM 0 HB3 CYS A 364 -17.392 27.230 16.558 1.00 40.42 H new ATOM 0 HG CYS A 364 -15.843 25.964 13.733 1.00 42.25 H new ATOM 315 N GLU A 365 -16.883 24.973 18.930 1.00 13.10 N ATOM 316 CA GLU A 365 -17.227 25.016 20.341 1.00 0.22 C ATOM 317 C GLU A 365 -15.962 24.940 21.198 1.00 2.12 C ATOM 318 O GLU A 365 -15.983 25.297 22.375 1.00 23.22 O ATOM 319 CB GLU A 365 -18.202 23.894 20.703 1.00 52.15 C ATOM 320 CG GLU A 365 -19.650 24.329 20.467 1.00 11.10 C ATOM 321 CD GLU A 365 -20.088 25.362 21.507 1.00 35.13 C ATOM 322 OE1 GLU A 365 -20.198 26.555 21.188 1.00 3.23 O ATOM 323 OE2 GLU A 365 -20.320 24.886 22.684 1.00 52.22 O ATOM 0 H GLU A 365 -17.256 24.170 18.424 1.00 13.10 H new ATOM 0 HA GLU A 365 -17.724 25.964 20.544 1.00 0.22 H new ATOM 0 HB2 GLU A 365 -17.982 23.009 20.105 1.00 52.15 H new ATOM 0 HB3 GLU A 365 -18.068 23.614 21.748 1.00 52.15 H new ATOM 0 HG2 GLU A 365 -19.749 24.750 19.467 1.00 11.10 H new ATOM 0 HG3 GLU A 365 -20.307 23.460 20.513 1.00 11.10 H new ATOM 331 N MET A 366 -14.890 24.473 20.575 1.00 73.15 N ATOM 332 CA MET A 366 -13.618 24.345 21.265 1.00 14.54 C ATOM 333 C MET A 366 -12.495 25.019 20.474 1.00 22.44 C ATOM 334 O MET A 366 -11.321 24.882 20.817 1.00 15.34 O ATOM 335 CB MET A 366 -13.289 22.864 21.460 1.00 12.12 C ATOM 336 CG MET A 366 -13.695 22.046 20.232 1.00 4.41 C ATOM 337 SD MET A 366 -13.303 20.324 20.489 1.00 30.01 S ATOM 338 CE MET A 366 -14.800 19.571 19.875 1.00 35.24 C ATOM 0 H MET A 366 -14.876 24.178 19.599 1.00 73.15 H new ATOM 0 HA MET A 366 -13.700 24.838 22.234 1.00 14.54 H new ATOM 0 HB2 MET A 366 -12.221 22.746 21.643 1.00 12.12 H new ATOM 0 HB3 MET A 366 -13.807 22.486 22.341 1.00 12.12 H new ATOM 0 HG2 MET A 366 -14.763 22.160 20.045 1.00 4.41 H new ATOM 0 HG3 MET A 366 -13.175 22.418 19.349 1.00 4.41 H new ATOM 0 HE1 MET A 366 -14.971 18.627 20.392 1.00 35.24 H new ATOM 0 HE2 MET A 366 -15.643 20.239 20.052 1.00 35.24 H new ATOM 0 HE3 MET A 366 -14.702 19.386 18.805 1.00 35.24 H new ATOM 348 N GLY A 367 -12.894 25.731 19.431 1.00 63.43 N ATOM 349 CA GLY A 367 -11.935 26.425 18.588 1.00 11.22 C ATOM 350 C GLY A 367 -10.666 25.592 18.399 1.00 71.50 C ATOM 351 O GLY A 367 -9.584 25.997 18.820 1.00 10.13 O ATOM 0 H GLY A 367 -13.868 25.843 19.150 1.00 63.43 H new ATOM 0 HA2 GLY A 367 -12.384 26.635 17.617 1.00 11.22 H new ATOM 0 HA3 GLY A 367 -11.680 27.386 19.036 1.00 11.22 H new ATOM 355 N SER A 368 -10.841 24.441 17.765 1.00 52.51 N ATOM 356 CA SER A 368 -9.724 23.547 17.515 1.00 44.13 C ATOM 357 C SER A 368 -9.735 23.091 16.054 1.00 0.42 C ATOM 358 O SER A 368 -10.542 23.568 15.258 1.00 71.14 O ATOM 359 CB SER A 368 -9.767 22.336 18.449 1.00 53.41 C ATOM 360 OG SER A 368 -10.994 21.620 18.337 1.00 61.53 O ATOM 0 H SER A 368 -11.740 24.108 17.417 1.00 52.51 H new ATOM 0 HA SER A 368 -8.800 24.091 17.712 1.00 44.13 H new ATOM 0 HB2 SER A 368 -8.936 21.670 18.218 1.00 53.41 H new ATOM 0 HB3 SER A 368 -9.633 22.667 19.479 1.00 53.41 H new ATOM 0 HG SER A 368 -11.297 21.349 19.229 1.00 61.53 H new ATOM 366 N THR A 369 -8.830 22.174 15.747 1.00 61.11 N ATOM 367 CA THR A 369 -8.726 21.648 14.396 1.00 5.43 C ATOM 368 C THR A 369 -8.798 20.120 14.412 1.00 42.24 C ATOM 369 O THR A 369 -8.329 19.482 15.353 1.00 41.41 O ATOM 370 CB THR A 369 -7.435 22.189 13.777 1.00 55.52 C ATOM 371 OG1 THR A 369 -6.430 21.869 14.734 1.00 3.31 O ATOM 372 CG2 THR A 369 -7.414 23.718 13.711 1.00 62.03 C ATOM 0 H THR A 369 -8.162 21.781 16.410 1.00 61.11 H new ATOM 0 HA THR A 369 -9.562 21.975 13.778 1.00 5.43 H new ATOM 0 HB THR A 369 -7.314 21.780 12.774 1.00 55.52 H new ATOM 0 HG1 THR A 369 -5.645 22.437 14.587 1.00 3.31 H new ATOM 0 HG21 THR A 369 -6.477 24.050 13.264 1.00 62.03 H new ATOM 0 HG22 THR A 369 -8.249 24.068 13.104 1.00 62.03 H new ATOM 0 HG23 THR A 369 -7.501 24.127 14.718 1.00 62.03 H new ATOM 380 N PHE A 370 -9.389 19.577 13.358 1.00 51.24 N ATOM 381 CA PHE A 370 -9.529 18.136 13.238 1.00 61.21 C ATOM 382 C PHE A 370 -8.208 17.490 12.815 1.00 40.14 C ATOM 383 O PHE A 370 -7.628 16.705 13.564 1.00 54.23 O ATOM 384 CB PHE A 370 -10.579 17.877 12.156 1.00 33.32 C ATOM 385 CG PHE A 370 -10.578 16.444 11.618 1.00 11.40 C ATOM 386 CD1 PHE A 370 -11.253 15.468 12.282 1.00 53.13 C ATOM 387 CD2 PHE A 370 -9.902 16.148 10.476 1.00 62.40 C ATOM 388 CE1 PHE A 370 -11.252 14.139 11.782 1.00 32.22 C ATOM 389 CE2 PHE A 370 -9.901 14.818 9.977 1.00 43.44 C ATOM 390 CZ PHE A 370 -10.576 13.842 10.640 1.00 1.01 C ATOM 0 H PHE A 370 -9.777 20.109 12.579 1.00 51.24 H new ATOM 0 HA PHE A 370 -9.820 17.709 14.198 1.00 61.21 H new ATOM 0 HB2 PHE A 370 -11.566 18.102 12.561 1.00 33.32 H new ATOM 0 HB3 PHE A 370 -10.410 18.565 11.328 1.00 33.32 H new ATOM 0 HD1 PHE A 370 -11.790 15.704 13.189 1.00 53.13 H new ATOM 0 HD2 PHE A 370 -9.366 16.923 9.949 1.00 62.40 H new ATOM 0 HE1 PHE A 370 -11.788 13.364 12.309 1.00 32.22 H new ATOM 0 HE2 PHE A 370 -9.364 14.582 9.070 1.00 43.44 H new ATOM 0 HZ PHE A 370 -10.575 12.831 10.260 1.00 1.01 H new ATOM 400 N GLN A 371 -7.771 17.844 11.615 1.00 4.42 N ATOM 401 CA GLN A 371 -6.529 17.309 11.083 1.00 2.22 C ATOM 402 C GLN A 371 -5.464 17.247 12.180 1.00 13.45 C ATOM 403 O GLN A 371 -4.574 16.399 12.140 1.00 55.12 O ATOM 404 CB GLN A 371 -6.041 18.136 9.892 1.00 10.32 C ATOM 405 CG GLN A 371 -5.939 19.618 10.259 1.00 45.22 C ATOM 406 CD GLN A 371 -7.250 20.348 9.963 1.00 52.32 C ATOM 407 OE1 GLN A 371 -7.516 20.775 8.851 1.00 70.40 O ATOM 408 NE2 GLN A 371 -8.053 20.468 11.017 1.00 64.13 N ATOM 0 H GLN A 371 -8.255 18.495 10.996 1.00 4.42 H new ATOM 0 HA GLN A 371 -6.716 16.296 10.728 1.00 2.22 H new ATOM 0 HB2 GLN A 371 -5.067 17.771 9.565 1.00 10.32 H new ATOM 0 HB3 GLN A 371 -6.726 18.012 9.053 1.00 10.32 H new ATOM 0 HG2 GLN A 371 -5.694 19.718 11.316 1.00 45.22 H new ATOM 0 HG3 GLN A 371 -5.127 20.080 9.698 1.00 45.22 H new ATOM 0 HE21 GLN A 371 -7.770 20.088 11.920 1.00 64.13 H new ATOM 0 HE22 GLN A 371 -8.952 20.940 10.922 1.00 64.13 H new ATOM 417 N LEU A 372 -5.591 18.157 13.135 1.00 3.13 N ATOM 418 CA LEU A 372 -4.651 18.217 14.242 1.00 65.44 C ATOM 419 C LEU A 372 -4.812 16.967 15.110 1.00 43.21 C ATOM 420 O LEU A 372 -5.916 16.489 15.368 1.00 2.14 O ATOM 421 CB LEU A 372 -4.814 19.527 15.014 1.00 41.44 C ATOM 422 CG LEU A 372 -3.706 19.858 16.016 1.00 50.02 C ATOM 423 CD1 LEU A 372 -3.775 18.934 17.233 1.00 4.24 C ATOM 424 CD2 LEU A 372 -2.331 19.821 15.345 1.00 13.53 C ATOM 0 H LEU A 372 -6.331 18.859 13.165 1.00 3.13 H new ATOM 0 HA LEU A 372 -3.626 18.219 13.871 1.00 65.44 H new ATOM 0 HB2 LEU A 372 -4.882 20.343 14.295 1.00 41.44 H new ATOM 0 HB3 LEU A 372 -5.763 19.494 15.550 1.00 41.44 H new ATOM 0 HG LEU A 372 -3.862 20.875 16.375 1.00 50.02 H new ATOM 0 HD11 LEU A 372 -2.977 19.190 17.930 1.00 4.24 H new ATOM 0 HD12 LEU A 372 -4.740 19.053 17.726 1.00 4.24 H new ATOM 0 HD13 LEU A 372 -3.658 17.899 16.911 1.00 4.24 H new ATOM 0 HD21 LEU A 372 -1.561 20.060 16.079 1.00 13.53 H new ATOM 0 HD22 LEU A 372 -2.150 18.825 14.941 1.00 13.53 H new ATOM 0 HD23 LEU A 372 -2.301 20.552 14.537 1.00 13.53 H new ATOM 436 N CYS A 373 -3.675 16.444 15.559 1.00 43.44 N ATOM 437 CA CYS A 373 -3.659 15.253 16.398 1.00 75.30 C ATOM 438 C CYS A 373 -4.074 15.588 17.828 1.00 72.03 C ATOM 439 O CYS A 373 -3.484 16.483 18.431 1.00 20.54 O ATOM 440 CB CYS A 373 -2.267 14.619 16.395 1.00 73.41 C ATOM 441 SG CYS A 373 -2.272 12.814 16.648 1.00 40.25 S ATOM 0 H CYS A 373 -2.752 16.828 15.355 1.00 43.44 H new ATOM 0 HA CYS A 373 -4.376 14.542 15.988 1.00 75.30 H new ATOM 0 HB2 CYS A 373 -1.780 14.841 15.445 1.00 73.41 H new ATOM 0 HB3 CYS A 373 -1.666 15.083 17.177 1.00 73.41 H new ATOM 0 HG CYS A 373 -1.056 12.362 16.571 1.00 40.25 H new ATOM 446 N LYS A 374 -5.069 14.872 18.332 1.00 40.45 N ATOM 447 CA LYS A 374 -5.548 15.105 19.683 1.00 34.03 C ATOM 448 C LYS A 374 -4.784 14.202 20.653 1.00 2.04 C ATOM 449 O LYS A 374 -5.230 13.972 21.776 1.00 14.22 O ATOM 450 CB LYS A 374 -7.067 14.933 19.750 1.00 32.22 C ATOM 451 CG LYS A 374 -7.759 15.738 18.649 1.00 53.24 C ATOM 452 CD LYS A 374 -7.088 17.100 18.461 1.00 11.32 C ATOM 453 CE LYS A 374 -7.751 17.887 17.328 1.00 23.34 C ATOM 454 NZ LYS A 374 -8.289 16.965 16.303 1.00 32.24 N ATOM 0 H LYS A 374 -5.556 14.131 17.829 1.00 40.45 H new ATOM 0 HA LYS A 374 -5.353 16.134 19.984 1.00 34.03 H new ATOM 0 HB2 LYS A 374 -7.322 13.878 19.649 1.00 32.22 H new ATOM 0 HB3 LYS A 374 -7.431 15.257 20.725 1.00 32.22 H new ATOM 0 HG2 LYS A 374 -7.728 15.181 17.712 1.00 53.24 H new ATOM 0 HG3 LYS A 374 -8.810 15.878 18.902 1.00 53.24 H new ATOM 0 HD2 LYS A 374 -7.148 17.670 19.388 1.00 11.32 H new ATOM 0 HD3 LYS A 374 -6.030 16.961 18.241 1.00 11.32 H new ATOM 0 HE2 LYS A 374 -8.555 18.505 17.728 1.00 23.34 H new ATOM 0 HE3 LYS A 374 -7.026 18.562 16.874 1.00 23.34 H new ATOM 0 HZ1 LYS A 374 -8.582 17.509 15.466 1.00 32.24 H new ATOM 0 HZ2 LYS A 374 -7.554 16.281 16.031 1.00 32.24 H new ATOM 0 HZ3 LYS A 374 -9.109 16.456 16.690 1.00 32.24 H new ATOM 467 N ILE A 375 -3.645 13.715 20.185 1.00 65.53 N ATOM 468 CA ILE A 375 -2.814 12.842 20.997 1.00 64.23 C ATOM 469 C ILE A 375 -1.678 13.658 21.617 1.00 13.35 C ATOM 470 O ILE A 375 -1.465 13.611 22.828 1.00 62.11 O ATOM 471 CB ILE A 375 -2.332 11.644 20.175 1.00 1.23 C ATOM 472 CG1 ILE A 375 -3.468 10.646 19.943 1.00 52.34 C ATOM 473 CG2 ILE A 375 -1.115 10.985 20.828 1.00 12.34 C ATOM 474 CD1 ILE A 375 -2.962 9.398 19.217 1.00 42.21 C ATOM 0 H ILE A 375 -3.277 13.908 19.253 1.00 65.53 H new ATOM 0 HA ILE A 375 -3.393 12.423 21.820 1.00 64.23 H new ATOM 0 HB ILE A 375 -2.016 12.006 19.197 1.00 1.23 H new ATOM 0 HG12 ILE A 375 -3.908 10.362 20.899 1.00 52.34 H new ATOM 0 HG13 ILE A 375 -4.257 11.117 19.357 1.00 52.34 H new ATOM 0 HG21 ILE A 375 -0.793 10.137 20.224 1.00 12.34 H new ATOM 0 HG22 ILE A 375 -0.303 11.709 20.899 1.00 12.34 H new ATOM 0 HG23 ILE A 375 -1.381 10.639 21.827 1.00 12.34 H new ATOM 0 HD11 ILE A 375 -3.789 8.705 19.065 1.00 42.21 H new ATOM 0 HD12 ILE A 375 -2.545 9.683 18.251 1.00 42.21 H new ATOM 0 HD13 ILE A 375 -2.191 8.916 19.817 1.00 42.21 H new ATOM 486 N CYS A 376 -0.980 14.388 20.760 1.00 10.32 N ATOM 487 CA CYS A 376 0.128 15.214 21.209 1.00 0.14 C ATOM 488 C CYS A 376 -0.298 16.681 21.117 1.00 24.31 C ATOM 489 O CYS A 376 0.162 17.514 21.896 1.00 1.31 O ATOM 490 CB CYS A 376 1.401 14.938 20.407 1.00 60.31 C ATOM 491 SG CYS A 376 1.447 13.306 19.579 1.00 4.13 S ATOM 0 H CYS A 376 -1.160 14.425 19.757 1.00 10.32 H new ATOM 0 HA CYS A 376 0.370 14.971 22.244 1.00 0.14 H new ATOM 0 HB2 CYS A 376 1.514 15.716 19.652 1.00 60.31 H new ATOM 0 HB3 CYS A 376 2.259 15.015 21.075 1.00 60.31 H new ATOM 0 HG CYS A 376 1.264 13.462 18.301 1.00 4.13 H new ATOM 496 N ALA A 377 -1.171 16.951 20.158 1.00 10.03 N ATOM 497 CA ALA A 377 -1.664 18.303 19.954 1.00 21.41 C ATOM 498 C ALA A 377 -0.510 19.198 19.497 1.00 33.15 C ATOM 499 O ALA A 377 -0.365 20.322 19.976 1.00 74.05 O ATOM 500 CB ALA A 377 -2.319 18.807 21.241 1.00 11.14 C ATOM 0 H ALA A 377 -1.550 16.257 19.514 1.00 10.03 H new ATOM 0 HA ALA A 377 -2.424 18.321 19.173 1.00 21.41 H new ATOM 0 HB1 ALA A 377 -2.689 19.821 21.088 1.00 11.14 H new ATOM 0 HB2 ALA A 377 -3.150 18.154 21.506 1.00 11.14 H new ATOM 0 HB3 ALA A 377 -1.585 18.806 22.047 1.00 11.14 H new ATOM 506 N GLU A 378 0.281 18.666 18.578 1.00 61.04 N ATOM 507 CA GLU A 378 1.417 19.403 18.051 1.00 23.21 C ATOM 508 C GLU A 378 1.492 19.247 16.531 1.00 45.42 C ATOM 509 O GLU A 378 1.392 20.229 15.797 1.00 13.51 O ATOM 510 CB GLU A 378 2.720 18.949 18.714 1.00 53.25 C ATOM 511 CG GLU A 378 3.871 19.893 18.362 1.00 3.35 C ATOM 512 CD GLU A 378 3.823 21.160 19.220 1.00 73.24 C ATOM 513 OE1 GLU A 378 3.260 22.178 18.790 1.00 22.10 O ATOM 514 OE2 GLU A 378 4.395 21.061 20.371 1.00 24.13 O ATOM 0 H GLU A 378 0.158 17.733 18.184 1.00 61.04 H new ATOM 0 HA GLU A 378 1.279 20.459 18.282 1.00 23.21 H new ATOM 0 HB2 GLU A 378 2.590 18.916 19.796 1.00 53.25 H new ATOM 0 HB3 GLU A 378 2.963 17.937 18.391 1.00 53.25 H new ATOM 0 HG2 GLU A 378 4.823 19.384 18.512 1.00 3.35 H new ATOM 0 HG3 GLU A 378 3.816 20.162 17.307 1.00 3.35 H new ATOM 522 N ASN A 379 1.669 18.006 16.103 1.00 72.11 N ATOM 523 CA ASN A 379 1.759 17.709 14.683 1.00 14.33 C ATOM 524 C ASN A 379 0.390 17.253 14.174 1.00 14.34 C ATOM 525 O ASN A 379 -0.470 16.860 14.962 1.00 41.53 O ATOM 526 CB ASN A 379 2.760 16.584 14.418 1.00 24.21 C ATOM 527 CG ASN A 379 4.075 16.834 15.160 1.00 32.53 C ATOM 528 OD1 ASN A 379 4.359 17.927 15.621 1.00 25.32 O ATOM 529 ND2 ASN A 379 4.858 15.762 15.250 1.00 55.03 N ATOM 0 H ASN A 379 1.753 17.194 16.715 1.00 72.11 H new ATOM 0 HA ASN A 379 2.088 18.613 14.170 1.00 14.33 H new ATOM 0 HB2 ASN A 379 2.335 15.632 14.735 1.00 24.21 H new ATOM 0 HB3 ASN A 379 2.951 16.507 13.348 1.00 24.21 H new ATOM 0 HD21 ASN A 379 5.757 15.826 15.728 1.00 55.03 H new ATOM 0 HD22 ASN A 379 4.559 14.876 14.841 1.00 55.03 H new ATOM 536 N ASP A 380 0.230 17.321 12.861 1.00 74.21 N ATOM 537 CA ASP A 380 -1.020 16.920 12.238 1.00 72.23 C ATOM 538 C ASP A 380 -1.047 15.397 12.092 1.00 21.11 C ATOM 539 O ASP A 380 -0.004 14.747 12.139 1.00 63.04 O ATOM 540 CB ASP A 380 -1.161 17.531 10.842 1.00 25.40 C ATOM 541 CG ASP A 380 -0.027 17.193 9.871 1.00 32.33 C ATOM 542 OD1 ASP A 380 0.167 17.874 8.854 1.00 54.33 O ATOM 543 OD2 ASP A 380 0.684 16.167 10.199 1.00 12.40 O ATOM 0 H ASP A 380 0.945 17.648 12.211 1.00 74.21 H new ATOM 0 HA ASP A 380 -1.838 17.269 12.869 1.00 72.23 H new ATOM 0 HB2 ASP A 380 -2.103 17.195 10.408 1.00 25.40 H new ATOM 0 HB3 ASP A 380 -1.224 18.615 10.941 1.00 25.40 H new ATOM 549 N LYS A 381 -2.251 14.872 11.919 1.00 40.13 N ATOM 550 CA LYS A 381 -2.427 13.438 11.766 1.00 73.10 C ATOM 551 C LYS A 381 -1.753 12.981 10.471 1.00 72.42 C ATOM 552 O LYS A 381 -0.816 12.185 10.502 1.00 30.41 O ATOM 553 CB LYS A 381 -3.909 13.068 11.852 1.00 55.24 C ATOM 554 CG LYS A 381 -4.516 13.538 13.176 1.00 70.45 C ATOM 555 CD LYS A 381 -5.997 13.882 13.008 1.00 13.33 C ATOM 556 CE LYS A 381 -6.773 13.606 14.298 1.00 54.14 C ATOM 557 NZ LYS A 381 -8.212 13.896 14.109 1.00 53.45 N ATOM 0 H LYS A 381 -3.114 15.414 11.881 1.00 40.13 H new ATOM 0 HA LYS A 381 -1.941 12.905 12.584 1.00 73.10 H new ATOM 0 HB2 LYS A 381 -4.449 13.519 11.020 1.00 55.24 H new ATOM 0 HB3 LYS A 381 -4.024 11.988 11.758 1.00 55.24 H new ATOM 0 HG2 LYS A 381 -4.403 12.758 13.929 1.00 70.45 H new ATOM 0 HG3 LYS A 381 -3.975 14.412 13.539 1.00 70.45 H new ATOM 0 HD2 LYS A 381 -6.102 14.932 12.734 1.00 13.33 H new ATOM 0 HD3 LYS A 381 -6.420 13.296 12.192 1.00 13.33 H new ATOM 0 HE2 LYS A 381 -6.641 12.565 14.593 1.00 54.14 H new ATOM 0 HE3 LYS A 381 -6.376 14.219 15.107 1.00 54.14 H new ATOM 0 HZ1 LYS A 381 -8.764 13.403 14.839 1.00 53.45 H new ATOM 0 HZ2 LYS A 381 -8.373 14.921 14.186 1.00 53.45 H new ATOM 0 HZ3 LYS A 381 -8.511 13.569 13.168 1.00 53.45 H new ATOM 570 N ASP A 382 -2.257 13.504 9.363 1.00 62.34 N ATOM 571 CA ASP A 382 -1.715 13.159 8.059 1.00 11.21 C ATOM 572 C ASP A 382 -1.852 11.652 7.837 1.00 73.32 C ATOM 573 O ASP A 382 -1.072 11.056 7.095 1.00 13.40 O ATOM 574 CB ASP A 382 -0.230 13.517 7.967 1.00 15.34 C ATOM 575 CG ASP A 382 0.320 13.633 6.545 1.00 41.43 C ATOM 576 OD1 ASP A 382 1.086 12.774 6.084 1.00 5.23 O ATOM 577 OD2 ASP A 382 -0.074 14.673 5.891 1.00 41.32 O ATOM 0 H ASP A 382 -3.035 14.164 9.341 1.00 62.34 H new ATOM 0 HA ASP A 382 -2.268 13.719 7.305 1.00 11.21 H new ATOM 0 HB2 ASP A 382 -0.067 14.464 8.482 1.00 15.34 H new ATOM 0 HB3 ASP A 382 0.344 12.761 8.502 1.00 15.34 H new ATOM 583 N VAL A 383 -2.850 11.077 8.493 1.00 2.51 N ATOM 584 CA VAL A 383 -3.099 9.651 8.377 1.00 72.35 C ATOM 585 C VAL A 383 -4.553 9.359 8.753 1.00 12.22 C ATOM 586 O VAL A 383 -5.282 10.258 9.171 1.00 71.32 O ATOM 587 CB VAL A 383 -2.094 8.872 9.227 1.00 3.44 C ATOM 588 CG1 VAL A 383 -2.626 8.657 10.645 1.00 32.14 C ATOM 589 CG2 VAL A 383 -1.734 7.539 8.568 1.00 5.53 C ATOM 0 H VAL A 383 -3.496 11.574 9.107 1.00 2.51 H new ATOM 0 HA VAL A 383 -2.957 9.322 7.348 1.00 72.35 H new ATOM 0 HB VAL A 383 -1.183 9.467 9.297 1.00 3.44 H new ATOM 0 HG11 VAL A 383 -1.892 8.101 11.228 1.00 32.14 H new ATOM 0 HG12 VAL A 383 -2.807 9.623 11.116 1.00 32.14 H new ATOM 0 HG13 VAL A 383 -3.558 8.094 10.602 1.00 32.14 H new ATOM 0 HG21 VAL A 383 -1.018 7.006 9.193 1.00 5.53 H new ATOM 0 HG22 VAL A 383 -2.634 6.936 8.452 1.00 5.53 H new ATOM 0 HG23 VAL A 383 -1.293 7.725 7.589 1.00 5.53 H new ATOM 599 N LYS A 384 -4.932 8.100 8.592 1.00 64.21 N ATOM 600 CA LYS A 384 -6.285 7.679 8.910 1.00 75.42 C ATOM 601 C LYS A 384 -6.306 6.164 9.127 1.00 0.35 C ATOM 602 O LYS A 384 -5.631 5.422 8.416 1.00 4.10 O ATOM 603 CB LYS A 384 -7.262 8.159 7.835 1.00 73.45 C ATOM 604 CG LYS A 384 -8.652 7.555 8.048 1.00 52.33 C ATOM 605 CD LYS A 384 -9.489 7.642 6.770 1.00 73.10 C ATOM 606 CE LYS A 384 -10.983 7.547 7.086 1.00 53.11 C ATOM 607 NZ LYS A 384 -11.502 8.858 7.537 1.00 21.20 N ATOM 0 H LYS A 384 -4.325 7.357 8.245 1.00 64.21 H new ATOM 0 HA LYS A 384 -6.618 8.140 9.840 1.00 75.42 H new ATOM 0 HB2 LYS A 384 -7.327 9.247 7.857 1.00 73.45 H new ATOM 0 HB3 LYS A 384 -6.888 7.882 6.849 1.00 73.45 H new ATOM 0 HG2 LYS A 384 -8.557 6.513 8.354 1.00 52.33 H new ATOM 0 HG3 LYS A 384 -9.161 8.080 8.857 1.00 52.33 H new ATOM 0 HD2 LYS A 384 -9.281 8.581 6.258 1.00 73.10 H new ATOM 0 HD3 LYS A 384 -9.206 6.839 6.090 1.00 73.10 H new ATOM 0 HE2 LYS A 384 -11.528 7.219 6.201 1.00 53.11 H new ATOM 0 HE3 LYS A 384 -11.150 6.797 7.860 1.00 53.11 H new ATOM 0 HZ1 LYS A 384 -12.517 8.776 7.747 1.00 21.20 H new ATOM 0 HZ2 LYS A 384 -10.994 9.156 8.394 1.00 21.20 H new ATOM 0 HZ3 LYS A 384 -11.360 9.564 6.787 1.00 21.20 H new ATOM 620 N ILE A 385 -7.088 5.751 10.114 1.00 71.13 N ATOM 621 CA ILE A 385 -7.205 4.338 10.434 1.00 15.40 C ATOM 622 C ILE A 385 -8.550 3.815 9.926 1.00 33.21 C ATOM 623 O ILE A 385 -9.587 4.437 10.150 1.00 35.01 O ATOM 624 CB ILE A 385 -6.981 4.108 11.930 1.00 61.22 C ATOM 625 CG1 ILE A 385 -5.615 4.640 12.368 1.00 63.44 C ATOM 626 CG2 ILE A 385 -7.164 2.632 12.291 1.00 51.25 C ATOM 627 CD1 ILE A 385 -4.484 3.771 11.812 1.00 35.31 C ATOM 0 H ILE A 385 -7.646 6.370 10.702 1.00 71.13 H new ATOM 0 HA ILE A 385 -6.428 3.766 9.927 1.00 15.40 H new ATOM 0 HB ILE A 385 -7.736 4.670 12.479 1.00 61.22 H new ATOM 0 HG12 ILE A 385 -5.493 5.667 12.023 1.00 63.44 H new ATOM 0 HG13 ILE A 385 -5.561 4.661 13.456 1.00 63.44 H new ATOM 0 HG21 ILE A 385 -6.999 2.496 13.360 1.00 51.25 H new ATOM 0 HG22 ILE A 385 -8.176 2.318 12.037 1.00 51.25 H new ATOM 0 HG23 ILE A 385 -6.447 2.029 11.734 1.00 51.25 H new ATOM 0 HD11 ILE A 385 -3.524 4.171 12.138 1.00 35.31 H new ATOM 0 HD12 ILE A 385 -4.595 2.751 12.179 1.00 35.31 H new ATOM 0 HD13 ILE A 385 -4.526 3.772 10.723 1.00 35.31 H new ATOM 639 N GLU A 386 -8.489 2.676 9.252 1.00 52.15 N ATOM 640 CA GLU A 386 -9.689 2.062 8.710 1.00 74.31 C ATOM 641 C GLU A 386 -9.662 0.549 8.940 1.00 3.42 C ATOM 642 O GLU A 386 -8.603 -0.025 9.187 1.00 64.31 O ATOM 643 CB GLU A 386 -9.849 2.387 7.224 1.00 50.15 C ATOM 644 CG GLU A 386 -10.795 3.572 7.020 1.00 0.42 C ATOM 645 CD GLU A 386 -10.972 3.883 5.533 1.00 53.44 C ATOM 646 OE1 GLU A 386 -10.002 3.810 4.764 1.00 1.20 O ATOM 647 OE2 GLU A 386 -12.170 4.210 5.183 1.00 52.11 O ATOM 0 H GLU A 386 -7.627 2.162 9.069 1.00 52.15 H new ATOM 0 HA GLU A 386 -10.552 2.475 9.233 1.00 74.31 H new ATOM 0 HB2 GLU A 386 -8.875 2.616 6.791 1.00 50.15 H new ATOM 0 HB3 GLU A 386 -10.235 1.514 6.697 1.00 50.15 H new ATOM 0 HG2 GLU A 386 -11.764 3.349 7.466 1.00 0.42 H new ATOM 0 HG3 GLU A 386 -10.401 4.449 7.534 1.00 0.42 H new ATOM 655 N PRO A 387 -10.870 -0.068 8.849 1.00 31.10 N ATOM 656 CA PRO A 387 -12.076 0.687 8.553 1.00 22.31 C ATOM 657 C PRO A 387 -12.537 1.485 9.775 1.00 61.45 C ATOM 658 O PRO A 387 -13.491 2.261 9.726 1.00 25.20 O ATOM 659 CB PRO A 387 -13.090 -0.353 8.105 1.00 54.51 C ATOM 660 CG PRO A 387 -12.568 -1.689 8.607 1.00 13.34 C ATOM 661 CD PRO A 387 -11.119 -1.496 9.025 1.00 55.14 C ATOM 0 HA PRO A 387 -11.924 1.436 7.776 1.00 22.31 H new ATOM 0 HB2 PRO A 387 -14.076 -0.139 8.517 1.00 54.51 H new ATOM 0 HB3 PRO A 387 -13.192 -0.357 7.020 1.00 54.51 H new ATOM 0 HG2 PRO A 387 -13.165 -2.040 9.449 1.00 13.34 H new ATOM 0 HG3 PRO A 387 -12.642 -2.446 7.826 1.00 13.34 H new ATOM 0 HD2 PRO A 387 -10.961 -1.801 10.059 1.00 55.14 H new ATOM 0 HD3 PRO A 387 -10.446 -2.094 8.410 1.00 55.14 H new ATOM 669 N CYS A 388 -11.832 1.274 10.882 1.00 43.52 N ATOM 670 CA CYS A 388 -12.146 1.959 12.130 1.00 24.41 C ATOM 671 C CYS A 388 -12.578 3.399 11.868 1.00 23.45 C ATOM 672 O CYS A 388 -13.773 3.685 11.912 1.00 40.54 O ATOM 673 CB CYS A 388 -10.935 1.940 13.065 1.00 1.00 C ATOM 674 SG CYS A 388 -11.135 2.961 14.561 1.00 52.34 S ATOM 0 H CYS A 388 -11.040 0.634 10.940 1.00 43.52 H new ATOM 0 HA CYS A 388 -12.973 1.432 12.606 1.00 24.41 H new ATOM 0 HB2 CYS A 388 -10.736 0.911 13.364 1.00 1.00 H new ATOM 0 HB3 CYS A 388 -10.060 2.287 12.516 1.00 1.00 H new ATOM 0 HG CYS A 388 -10.022 2.968 15.234 1.00 52.34 H new ATOM 679 N GLY A 389 -11.608 4.262 11.607 1.00 44.13 N ATOM 680 CA GLY A 389 -11.902 5.660 11.343 1.00 45.52 C ATOM 681 C GLY A 389 -11.239 6.566 12.383 1.00 34.14 C ATOM 682 O GLY A 389 -11.802 7.590 12.768 1.00 22.12 O ATOM 0 H GLY A 389 -10.618 4.020 11.573 1.00 44.13 H new ATOM 0 HA2 GLY A 389 -11.551 5.927 10.346 1.00 45.52 H new ATOM 0 HA3 GLY A 389 -12.981 5.817 11.354 1.00 45.52 H new ATOM 686 N HIS A 390 -10.054 6.156 12.809 1.00 22.53 N ATOM 687 CA HIS A 390 -9.309 6.917 13.798 1.00 71.22 C ATOM 688 C HIS A 390 -8.105 7.584 13.131 1.00 45.01 C ATOM 689 O HIS A 390 -7.309 6.919 12.470 1.00 24.52 O ATOM 690 CB HIS A 390 -8.916 6.032 14.982 1.00 32.51 C ATOM 691 CG HIS A 390 -10.090 5.523 15.785 1.00 40.02 C ATOM 692 ND1 HIS A 390 -9.946 4.668 16.864 1.00 54.32 N ATOM 693 CD2 HIS A 390 -11.427 5.758 15.655 1.00 12.31 C ATOM 694 CE1 HIS A 390 -11.149 4.407 17.353 1.00 35.21 C ATOM 695 NE2 HIS A 390 -12.066 5.083 16.602 1.00 21.24 N ATOM 0 H HIS A 390 -9.591 5.306 12.487 1.00 22.53 H new ATOM 0 HA HIS A 390 -9.940 7.708 14.204 1.00 71.22 H new ATOM 0 HB2 HIS A 390 -8.345 5.180 14.612 1.00 32.51 H new ATOM 0 HB3 HIS A 390 -8.256 6.596 15.641 1.00 32.51 H new ATOM 0 HD2 HIS A 390 -11.888 6.387 14.908 1.00 12.31 H new ATOM 0 HE1 HIS A 390 -11.366 3.771 18.198 1.00 35.21 H new ATOM 0 HE2 HIS A 390 -13.076 5.071 16.745 1.00 21.24 H new ATOM 703 N LEU A 391 -8.009 8.891 13.327 1.00 24.22 N ATOM 704 CA LEU A 391 -6.915 9.656 12.753 1.00 24.51 C ATOM 705 C LEU A 391 -5.823 9.847 13.808 1.00 70.30 C ATOM 706 O LEU A 391 -6.091 9.764 15.006 1.00 41.23 O ATOM 707 CB LEU A 391 -7.432 10.967 12.159 1.00 42.13 C ATOM 708 CG LEU A 391 -8.840 10.924 11.562 1.00 61.34 C ATOM 709 CD1 LEU A 391 -9.024 9.686 10.682 1.00 74.31 C ATOM 710 CD2 LEU A 391 -9.903 11.011 12.658 1.00 13.41 C ATOM 0 H LEU A 391 -8.671 9.440 13.875 1.00 24.22 H new ATOM 0 HA LEU A 391 -6.465 9.112 11.922 1.00 24.51 H new ATOM 0 HB2 LEU A 391 -7.413 11.729 12.939 1.00 42.13 H new ATOM 0 HB3 LEU A 391 -6.739 11.289 11.382 1.00 42.13 H new ATOM 0 HG LEU A 391 -8.966 11.797 10.921 1.00 61.34 H new ATOM 0 HD11 LEU A 391 -10.033 9.679 10.270 1.00 74.31 H new ATOM 0 HD12 LEU A 391 -8.300 9.707 9.868 1.00 74.31 H new ATOM 0 HD13 LEU A 391 -8.871 8.788 11.281 1.00 74.31 H new ATOM 0 HD21 LEU A 391 -10.895 10.978 12.207 1.00 13.41 H new ATOM 0 HD22 LEU A 391 -9.788 10.171 13.343 1.00 13.41 H new ATOM 0 HD23 LEU A 391 -9.785 11.946 13.206 1.00 13.41 H new ATOM 722 N MET A 392 -4.615 10.098 13.325 1.00 54.42 N ATOM 723 CA MET A 392 -3.482 10.302 14.211 1.00 31.11 C ATOM 724 C MET A 392 -2.240 10.724 13.424 1.00 5.04 C ATOM 725 O MET A 392 -2.254 10.738 12.195 1.00 71.25 O ATOM 726 CB MET A 392 -3.190 9.007 14.972 1.00 65.15 C ATOM 727 CG MET A 392 -2.448 8.006 14.084 1.00 63.52 C ATOM 728 SD MET A 392 -2.424 6.400 14.863 1.00 62.20 S ATOM 729 CE MET A 392 -4.173 6.154 15.120 1.00 21.02 C ATOM 0 H MET A 392 -4.396 10.165 12.331 1.00 54.42 H new ATOM 0 HA MET A 392 -3.731 11.098 14.913 1.00 31.11 H new ATOM 0 HB2 MET A 392 -2.592 9.227 15.856 1.00 65.15 H new ATOM 0 HB3 MET A 392 -4.124 8.567 15.320 1.00 65.15 H new ATOM 0 HG2 MET A 392 -2.935 7.940 13.111 1.00 63.52 H new ATOM 0 HG3 MET A 392 -1.429 8.349 13.908 1.00 63.52 H new ATOM 0 HE1 MET A 392 -4.432 5.120 14.892 1.00 21.02 H new ATOM 0 HE2 MET A 392 -4.422 6.370 16.159 1.00 21.02 H new ATOM 0 HE3 MET A 392 -4.734 6.822 14.466 1.00 21.02 H new ATOM 739 N CYS A 393 -1.194 11.058 14.166 1.00 2.02 N ATOM 740 CA CYS A 393 0.055 11.479 13.553 1.00 15.45 C ATOM 741 C CYS A 393 0.926 10.241 13.339 1.00 65.31 C ATOM 742 O CYS A 393 0.963 9.349 14.185 1.00 73.40 O ATOM 743 CB CYS A 393 0.767 12.541 14.394 1.00 24.52 C ATOM 744 SG CYS A 393 1.071 12.064 16.135 1.00 62.03 S ATOM 0 H CYS A 393 -1.186 11.046 15.186 1.00 2.02 H new ATOM 0 HA CYS A 393 -0.148 11.948 12.591 1.00 15.45 H new ATOM 0 HB2 CYS A 393 1.722 12.776 13.924 1.00 24.52 H new ATOM 0 HB3 CYS A 393 0.172 13.454 14.381 1.00 24.52 H new ATOM 0 HG CYS A 393 0.595 10.873 16.348 1.00 62.03 H new ATOM 749 N THR A 394 1.608 10.225 12.203 1.00 53.53 N ATOM 750 CA THR A 394 2.477 9.111 11.866 1.00 21.13 C ATOM 751 C THR A 394 3.601 8.981 12.896 1.00 12.24 C ATOM 752 O THR A 394 3.925 7.877 13.332 1.00 54.24 O ATOM 753 CB THR A 394 2.984 9.321 10.438 1.00 75.31 C ATOM 754 OG1 THR A 394 1.795 9.471 9.667 1.00 52.43 O ATOM 755 CG2 THR A 394 3.645 8.068 9.861 1.00 24.52 C ATOM 0 H THR A 394 1.576 10.967 11.504 1.00 53.53 H new ATOM 0 HA THR A 394 1.937 8.165 11.899 1.00 21.13 H new ATOM 0 HB THR A 394 3.696 10.147 10.423 1.00 75.31 H new ATOM 0 HG1 THR A 394 2.031 9.614 8.727 1.00 52.43 H new ATOM 0 HG21 THR A 394 3.987 8.271 8.846 1.00 24.52 H new ATOM 0 HG22 THR A 394 4.496 7.787 10.481 1.00 24.52 H new ATOM 0 HG23 THR A 394 2.924 7.251 9.844 1.00 24.52 H new ATOM 763 N SER A 395 4.165 10.125 13.257 1.00 73.33 N ATOM 764 CA SER A 395 5.245 10.153 14.228 1.00 43.03 C ATOM 765 C SER A 395 4.805 9.463 15.521 1.00 43.53 C ATOM 766 O SER A 395 5.358 8.431 15.897 1.00 74.23 O ATOM 767 CB SER A 395 5.689 11.588 14.516 1.00 1.51 C ATOM 768 OG SER A 395 6.857 11.633 15.332 1.00 35.42 O ATOM 0 H SER A 395 3.894 11.039 12.894 1.00 73.33 H new ATOM 0 HA SER A 395 6.096 9.616 13.809 1.00 43.03 H new ATOM 0 HB2 SER A 395 5.884 12.103 13.575 1.00 1.51 H new ATOM 0 HB3 SER A 395 4.880 12.125 15.011 1.00 1.51 H new ATOM 0 HG SER A 395 7.109 12.567 15.491 1.00 35.42 H new ATOM 774 N CYS A 396 3.815 10.062 16.166 1.00 50.55 N ATOM 775 CA CYS A 396 3.294 9.519 17.408 1.00 23.05 C ATOM 776 C CYS A 396 2.990 8.035 17.194 1.00 65.01 C ATOM 777 O CYS A 396 3.430 7.189 17.971 1.00 11.02 O ATOM 778 CB CYS A 396 2.064 10.290 17.891 1.00 31.42 C ATOM 779 SG CYS A 396 0.924 10.826 16.563 1.00 24.44 S ATOM 0 H CYS A 396 3.360 10.919 15.851 1.00 50.55 H new ATOM 0 HA CYS A 396 4.040 9.626 18.195 1.00 23.05 H new ATOM 0 HB2 CYS A 396 1.513 9.664 18.593 1.00 31.42 H new ATOM 0 HB3 CYS A 396 2.397 11.170 18.442 1.00 31.42 H new ATOM 0 HG CYS A 396 0.924 12.124 16.489 1.00 24.44 H new ATOM 784 N LEU A 397 2.241 7.764 16.135 1.00 11.25 N ATOM 785 CA LEU A 397 1.873 6.397 15.809 1.00 62.02 C ATOM 786 C LEU A 397 3.105 5.498 15.935 1.00 12.04 C ATOM 787 O LEU A 397 3.050 4.451 16.578 1.00 73.52 O ATOM 788 CB LEU A 397 1.206 6.336 14.433 1.00 32.44 C ATOM 789 CG LEU A 397 0.977 4.935 13.861 1.00 51.42 C ATOM 790 CD1 LEU A 397 2.245 4.403 13.191 1.00 61.02 C ATOM 791 CD2 LEU A 397 0.454 3.982 14.937 1.00 75.22 C ATOM 0 H LEU A 397 1.879 8.468 15.492 1.00 11.25 H new ATOM 0 HA LEU A 397 1.131 6.023 16.515 1.00 62.02 H new ATOM 0 HB2 LEU A 397 0.243 6.844 14.495 1.00 32.44 H new ATOM 0 HB3 LEU A 397 1.819 6.899 13.729 1.00 32.44 H new ATOM 0 HG LEU A 397 0.209 5.002 13.090 1.00 51.42 H new ATOM 0 HD11 LEU A 397 2.055 3.406 12.793 1.00 61.02 H new ATOM 0 HD12 LEU A 397 2.534 5.069 12.378 1.00 61.02 H new ATOM 0 HD13 LEU A 397 3.050 4.354 13.924 1.00 61.02 H new ATOM 0 HD21 LEU A 397 0.300 2.994 14.504 1.00 75.22 H new ATOM 0 HD22 LEU A 397 1.180 3.914 15.747 1.00 75.22 H new ATOM 0 HD23 LEU A 397 -0.491 4.358 15.328 1.00 75.22 H new ATOM 803 N THR A 398 4.187 5.940 15.312 1.00 2.34 N ATOM 804 CA THR A 398 5.430 5.189 15.347 1.00 24.13 C ATOM 805 C THR A 398 5.843 4.907 16.793 1.00 13.14 C ATOM 806 O THR A 398 6.342 3.826 17.101 1.00 70.21 O ATOM 807 CB THR A 398 6.480 5.974 14.558 1.00 12.23 C ATOM 808 OG1 THR A 398 5.899 6.130 13.267 1.00 75.54 O ATOM 809 CG2 THR A 398 7.749 5.160 14.300 1.00 21.32 C ATOM 0 H THR A 398 4.229 6.809 14.780 1.00 2.34 H new ATOM 0 HA THR A 398 5.314 4.212 14.879 1.00 24.13 H new ATOM 0 HB THR A 398 6.737 6.883 15.102 1.00 12.23 H new ATOM 0 HG1 THR A 398 5.355 6.945 13.249 1.00 75.54 H new ATOM 0 HG21 THR A 398 8.460 5.764 13.737 1.00 21.32 H new ATOM 0 HG22 THR A 398 8.194 4.868 15.251 1.00 21.32 H new ATOM 0 HG23 THR A 398 7.498 4.267 13.728 1.00 21.32 H new ATOM 817 N ALA A 399 5.619 5.899 17.643 1.00 75.21 N ATOM 818 CA ALA A 399 5.960 5.771 19.049 1.00 5.24 C ATOM 819 C ALA A 399 5.171 4.611 19.659 1.00 71.15 C ATOM 820 O ALA A 399 5.595 4.020 20.651 1.00 72.15 O ATOM 821 CB ALA A 399 5.691 7.098 19.763 1.00 64.33 C ATOM 0 H ALA A 399 5.205 6.795 17.384 1.00 75.21 H new ATOM 0 HA ALA A 399 7.020 5.546 19.167 1.00 5.24 H new ATOM 0 HB1 ALA A 399 5.947 7.002 20.818 1.00 64.33 H new ATOM 0 HB2 ALA A 399 6.298 7.883 19.312 1.00 64.33 H new ATOM 0 HB3 ALA A 399 4.636 7.355 19.668 1.00 64.33 H new ATOM 827 N TRP A 400 4.036 4.319 19.039 1.00 5.42 N ATOM 828 CA TRP A 400 3.184 3.240 19.508 1.00 13.40 C ATOM 829 C TRP A 400 3.685 1.936 18.884 1.00 10.40 C ATOM 830 O TRP A 400 4.111 1.028 19.595 1.00 61.52 O ATOM 831 CB TRP A 400 1.714 3.527 19.194 1.00 41.10 C ATOM 832 CG TRP A 400 0.851 2.271 19.053 1.00 44.51 C ATOM 833 CD1 TRP A 400 0.287 1.779 17.942 1.00 55.11 C ATOM 834 CD2 TRP A 400 0.476 1.363 20.110 1.00 70.04 C ATOM 835 NE1 TRP A 400 -0.423 0.624 18.204 1.00 4.51 N ATOM 836 CE2 TRP A 400 -0.304 0.363 19.564 1.00 5.42 C ATOM 837 CE3 TRP A 400 0.785 1.385 21.481 1.00 42.00 C ATOM 838 CZ2 TRP A 400 -0.839 -0.688 20.317 1.00 30.33 C ATOM 839 CZ3 TRP A 400 0.242 0.327 22.220 1.00 64.00 C ATOM 840 CH2 TRP A 400 -0.544 -0.687 21.686 1.00 53.21 C ATOM 0 H TRP A 400 3.687 4.811 18.216 1.00 5.42 H new ATOM 0 HA TRP A 400 3.238 3.150 20.593 1.00 13.40 H new ATOM 0 HB2 TRP A 400 1.300 4.153 19.984 1.00 41.10 H new ATOM 0 HB3 TRP A 400 1.656 4.101 18.269 1.00 41.10 H new ATOM 0 HD1 TRP A 400 0.376 2.229 16.964 1.00 55.11 H new ATOM 0 HE1 TRP A 400 -0.940 0.065 17.525 1.00 4.51 H new ATOM 0 HE3 TRP A 400 1.393 2.157 21.929 1.00 42.00 H new ATOM 0 HZ2 TRP A 400 -1.447 -1.459 19.867 1.00 30.33 H new ATOM 0 HZ3 TRP A 400 0.449 0.297 23.280 1.00 64.00 H new ATOM 0 HH2 TRP A 400 -0.926 -1.471 22.324 1.00 53.21 H new ATOM 851 N GLN A 401 3.617 1.886 17.562 1.00 43.22 N ATOM 852 CA GLN A 401 4.059 0.709 16.834 1.00 60.30 C ATOM 853 C GLN A 401 5.511 0.380 17.187 1.00 32.25 C ATOM 854 O GLN A 401 5.993 -0.713 16.893 1.00 33.03 O ATOM 855 CB GLN A 401 3.892 0.902 15.325 1.00 24.05 C ATOM 856 CG GLN A 401 2.460 1.313 14.980 1.00 14.03 C ATOM 857 CD GLN A 401 1.669 0.128 14.422 1.00 52.33 C ATOM 858 OE1 GLN A 401 2.205 -0.766 13.789 1.00 63.32 O ATOM 859 NE2 GLN A 401 0.367 0.172 14.690 1.00 31.12 N ATOM 0 H GLN A 401 3.262 2.642 16.976 1.00 43.22 H new ATOM 0 HA GLN A 401 3.434 -0.133 17.131 1.00 60.30 H new ATOM 0 HB2 GLN A 401 4.588 1.664 14.973 1.00 24.05 H new ATOM 0 HB3 GLN A 401 4.144 -0.023 14.806 1.00 24.05 H new ATOM 0 HG2 GLN A 401 1.964 1.699 15.871 1.00 14.03 H new ATOM 0 HG3 GLN A 401 2.476 2.121 14.249 1.00 14.03 H new ATOM 0 HE21 GLN A 401 -0.017 0.950 15.226 1.00 31.12 H new ATOM 0 HE22 GLN A 401 -0.247 -0.572 14.360 1.00 31.12 H new ATOM 868 N GLU A 402 6.167 1.345 17.814 1.00 43.45 N ATOM 869 CA GLU A 402 7.554 1.172 18.210 1.00 4.12 C ATOM 870 C GLU A 402 7.798 -0.265 18.675 1.00 32.04 C ATOM 871 O GLU A 402 8.576 -0.996 18.064 1.00 13.20 O ATOM 872 CB GLU A 402 7.942 2.174 19.299 1.00 5.13 C ATOM 873 CG GLU A 402 8.785 3.313 18.721 1.00 0.05 C ATOM 874 CD GLU A 402 10.267 2.933 18.681 1.00 14.12 C ATOM 875 OE1 GLU A 402 10.701 2.229 17.758 1.00 60.42 O ATOM 876 OE2 GLU A 402 10.975 3.398 19.654 1.00 44.14 O ATOM 0 H GLU A 402 5.764 2.250 18.058 1.00 43.45 H new ATOM 0 HA GLU A 402 8.186 1.365 17.343 1.00 4.12 H new ATOM 0 HB2 GLU A 402 7.042 2.581 19.761 1.00 5.13 H new ATOM 0 HB3 GLU A 402 8.501 1.665 20.084 1.00 5.13 H new ATOM 0 HG2 GLU A 402 8.440 3.551 17.715 1.00 0.05 H new ATOM 0 HG3 GLU A 402 8.652 4.211 19.325 1.00 0.05 H new ATOM 884 N SER A 403 7.118 -0.627 19.753 1.00 22.35 N ATOM 885 CA SER A 403 7.251 -1.964 20.308 1.00 51.03 C ATOM 886 C SER A 403 5.888 -2.659 20.329 1.00 61.32 C ATOM 887 O SER A 403 5.813 -3.887 20.320 1.00 25.13 O ATOM 888 CB SER A 403 7.846 -1.919 21.716 1.00 31.54 C ATOM 889 OG SER A 403 8.316 -3.197 22.138 1.00 34.12 O ATOM 0 H SER A 403 6.473 -0.018 20.257 1.00 22.35 H new ATOM 0 HA SER A 403 7.932 -2.532 19.674 1.00 51.03 H new ATOM 0 HB2 SER A 403 8.669 -1.204 21.739 1.00 31.54 H new ATOM 0 HB3 SER A 403 7.092 -1.560 22.417 1.00 31.54 H new ATOM 0 HG SER A 403 8.690 -3.126 23.041 1.00 34.12 H new ATOM 895 N ASP A 404 4.844 -1.844 20.356 1.00 60.21 N ATOM 896 CA ASP A 404 3.488 -2.366 20.378 1.00 11.43 C ATOM 897 C ASP A 404 3.051 -2.700 18.951 1.00 51.54 C ATOM 898 O ASP A 404 3.331 -3.788 18.450 1.00 2.33 O ATOM 899 CB ASP A 404 2.510 -1.333 20.943 1.00 62.03 C ATOM 900 CG ASP A 404 2.499 -1.219 22.468 1.00 5.04 C ATOM 901 OD1 ASP A 404 3.016 -0.247 23.040 1.00 74.02 O ATOM 902 OD2 ASP A 404 1.923 -2.195 23.084 1.00 20.10 O ATOM 0 H ASP A 404 4.910 -0.826 20.363 1.00 60.21 H new ATOM 0 HA ASP A 404 3.479 -3.255 21.009 1.00 11.43 H new ATOM 0 HB2 ASP A 404 2.753 -0.357 20.523 1.00 62.03 H new ATOM 0 HB3 ASP A 404 1.505 -1.584 20.605 1.00 62.03 H new ATOM 908 N GLY A 405 2.371 -1.743 18.335 1.00 63.31 N ATOM 909 CA GLY A 405 1.893 -1.922 16.975 1.00 72.23 C ATOM 910 C GLY A 405 0.707 -2.888 16.933 1.00 31.12 C ATOM 911 O GLY A 405 0.495 -3.574 15.935 1.00 63.44 O ATOM 0 H GLY A 405 2.140 -0.842 18.753 1.00 63.31 H new ATOM 0 HA2 GLY A 405 1.597 -0.959 16.560 1.00 72.23 H new ATOM 0 HA3 GLY A 405 2.700 -2.304 16.349 1.00 72.23 H new ATOM 915 N GLN A 406 -0.036 -2.911 18.030 1.00 4.53 N ATOM 916 CA GLN A 406 -1.195 -3.781 18.132 1.00 43.11 C ATOM 917 C GLN A 406 -2.451 -3.051 17.651 1.00 5.34 C ATOM 918 O GLN A 406 -3.322 -2.715 18.452 1.00 41.41 O ATOM 919 CB GLN A 406 -1.372 -4.293 19.563 1.00 60.25 C ATOM 920 CG GLN A 406 -2.094 -5.642 19.576 1.00 32.04 C ATOM 921 CD GLN A 406 -1.094 -6.800 19.583 1.00 4.42 C ATOM 922 OE1 GLN A 406 -0.221 -6.905 18.737 1.00 10.10 O ATOM 923 NE2 GLN A 406 -1.268 -7.659 20.583 1.00 70.53 N ATOM 0 H GLN A 406 0.143 -2.340 18.856 1.00 4.53 H new ATOM 0 HA GLN A 406 -1.033 -4.646 17.489 1.00 43.11 H new ATOM 0 HB2 GLN A 406 -0.397 -4.393 20.041 1.00 60.25 H new ATOM 0 HB3 GLN A 406 -1.939 -3.567 20.146 1.00 60.25 H new ATOM 0 HG2 GLN A 406 -2.736 -5.706 20.454 1.00 32.04 H new ATOM 0 HG3 GLN A 406 -2.741 -5.721 18.702 1.00 32.04 H new ATOM 0 HE21 GLN A 406 -2.019 -7.512 21.257 1.00 70.53 H new ATOM 0 HE22 GLN A 406 -0.650 -8.465 20.676 1.00 70.53 H new ATOM 932 N GLY A 407 -2.503 -2.827 16.347 1.00 54.33 N ATOM 933 CA GLY A 407 -3.638 -2.143 15.750 1.00 10.52 C ATOM 934 C GLY A 407 -3.704 -0.685 16.211 1.00 22.13 C ATOM 935 O GLY A 407 -2.763 -0.180 16.821 1.00 24.22 O ATOM 0 H GLY A 407 -1.778 -3.107 15.686 1.00 54.33 H new ATOM 0 HA2 GLY A 407 -3.560 -2.181 14.663 1.00 10.52 H new ATOM 0 HA3 GLY A 407 -4.560 -2.656 16.022 1.00 10.52 H new ATOM 939 N CYS A 408 -4.825 -0.050 15.902 1.00 22.10 N ATOM 940 CA CYS A 408 -5.026 1.339 16.277 1.00 3.30 C ATOM 941 C CYS A 408 -4.859 1.457 17.793 1.00 21.54 C ATOM 942 O CYS A 408 -5.438 0.676 18.547 1.00 11.13 O ATOM 943 CB CYS A 408 -6.387 1.860 15.811 1.00 63.14 C ATOM 944 SG CYS A 408 -6.514 3.682 15.697 1.00 4.04 S ATOM 0 H CYS A 408 -5.604 -0.472 15.396 1.00 22.10 H new ATOM 0 HA CYS A 408 -4.282 1.963 15.781 1.00 3.30 H new ATOM 0 HB2 CYS A 408 -6.608 1.433 14.833 1.00 63.14 H new ATOM 0 HB3 CYS A 408 -7.153 1.499 16.497 1.00 63.14 H new ATOM 0 HG CYS A 408 -6.071 4.217 16.796 1.00 4.04 H new ATOM 949 N PRO A 409 -4.044 2.464 18.206 1.00 64.12 N ATOM 950 CA PRO A 409 -3.793 2.693 19.619 1.00 53.35 C ATOM 951 C PRO A 409 -5.001 3.350 20.290 1.00 74.31 C ATOM 952 O PRO A 409 -4.976 3.627 21.488 1.00 24.20 O ATOM 953 CB PRO A 409 -2.546 3.561 19.661 1.00 21.33 C ATOM 954 CG PRO A 409 -2.413 4.168 18.274 1.00 1.22 C ATOM 955 CD PRO A 409 -3.341 3.408 17.341 1.00 21.43 C ATOM 0 HA PRO A 409 -3.637 1.768 20.174 1.00 53.35 H new ATOM 0 HB2 PRO A 409 -2.636 4.338 20.420 1.00 21.33 H new ATOM 0 HB3 PRO A 409 -1.667 2.969 19.914 1.00 21.33 H new ATOM 0 HG2 PRO A 409 -2.675 5.226 18.294 1.00 1.22 H new ATOM 0 HG3 PRO A 409 -1.382 4.101 17.925 1.00 1.22 H new ATOM 0 HD2 PRO A 409 -4.037 4.081 16.840 1.00 21.43 H new ATOM 0 HD3 PRO A 409 -2.782 2.890 16.562 1.00 21.43 H new ATOM 963 N PHE A 410 -6.031 3.579 19.489 1.00 51.25 N ATOM 964 CA PHE A 410 -7.247 4.198 19.990 1.00 24.32 C ATOM 965 C PHE A 410 -8.270 3.138 20.406 1.00 44.54 C ATOM 966 O PHE A 410 -8.738 3.135 21.543 1.00 51.31 O ATOM 967 CB PHE A 410 -7.829 5.031 18.847 1.00 2.31 C ATOM 968 CG PHE A 410 -7.312 6.471 18.800 1.00 24.54 C ATOM 969 CD1 PHE A 410 -7.543 7.310 19.845 1.00 43.43 C ATOM 970 CD2 PHE A 410 -6.621 6.910 17.714 1.00 24.24 C ATOM 971 CE1 PHE A 410 -7.063 8.646 19.801 1.00 4.14 C ATOM 972 CE2 PHE A 410 -6.141 8.245 17.671 1.00 5.51 C ATOM 973 CZ PHE A 410 -6.372 9.085 18.715 1.00 4.45 C ATOM 0 H PHE A 410 -6.049 3.347 18.496 1.00 51.25 H new ATOM 0 HA PHE A 410 -7.021 4.809 20.864 1.00 24.32 H new ATOM 0 HB2 PHE A 410 -7.598 4.542 17.901 1.00 2.31 H new ATOM 0 HB3 PHE A 410 -8.915 5.049 18.940 1.00 2.31 H new ATOM 0 HD1 PHE A 410 -8.091 6.961 20.708 1.00 43.43 H new ATOM 0 HD2 PHE A 410 -6.438 6.243 16.885 1.00 24.24 H new ATOM 0 HE1 PHE A 410 -7.247 9.313 20.630 1.00 4.14 H new ATOM 0 HE2 PHE A 410 -5.592 8.594 16.809 1.00 5.51 H new ATOM 0 HZ PHE A 410 -6.007 10.101 18.682 1.00 4.45 H new ATOM 983 N CYS A 411 -8.586 2.265 19.461 1.00 30.22 N ATOM 984 CA CYS A 411 -9.545 1.203 19.715 1.00 61.01 C ATOM 985 C CYS A 411 -8.771 -0.078 20.033 1.00 45.35 C ATOM 986 O CYS A 411 -9.353 -1.159 20.102 1.00 14.42 O ATOM 987 CB CYS A 411 -10.503 1.013 18.537 1.00 14.24 C ATOM 988 SG CYS A 411 -9.710 1.051 16.889 1.00 54.34 S ATOM 0 H CYS A 411 -8.195 2.271 18.519 1.00 30.22 H new ATOM 0 HA CYS A 411 -10.170 1.470 20.568 1.00 61.01 H new ATOM 0 HB2 CYS A 411 -11.017 0.059 18.655 1.00 14.24 H new ATOM 0 HB3 CYS A 411 -11.264 1.792 18.576 1.00 14.24 H new ATOM 0 HG CYS A 411 -10.574 1.444 16.001 1.00 54.34 H new ATOM 993 N ARG A 412 -7.469 0.086 20.217 1.00 42.12 N ATOM 994 CA ARG A 412 -6.609 -1.044 20.525 1.00 4.54 C ATOM 995 C ARG A 412 -7.041 -2.274 19.725 1.00 5.11 C ATOM 996 O ARG A 412 -6.871 -3.405 20.178 1.00 2.34 O ATOM 997 CB ARG A 412 -6.649 -1.375 22.019 1.00 52.15 C ATOM 998 CG ARG A 412 -5.411 -2.171 22.437 1.00 14.14 C ATOM 999 CD ARG A 412 -4.194 -1.256 22.582 1.00 41.42 C ATOM 1000 NE ARG A 412 -3.307 -1.759 23.655 1.00 51.54 N ATOM 1001 CZ ARG A 412 -2.610 -2.912 23.582 1.00 62.25 C ATOM 1002 NH1 ARG A 412 -2.691 -3.693 22.484 1.00 60.45 N ATOM 1003 NH2 ARG A 412 -1.848 -3.265 24.600 1.00 63.01 N ATOM 0 H ARG A 412 -6.989 0.984 20.159 1.00 42.12 H new ATOM 0 HA ARG A 412 -5.590 -0.769 20.252 1.00 4.54 H new ATOM 0 HB2 ARG A 412 -6.706 -0.453 22.598 1.00 52.15 H new ATOM 0 HB3 ARG A 412 -7.548 -1.949 22.244 1.00 52.15 H new ATOM 0 HG2 ARG A 412 -5.603 -2.679 23.382 1.00 14.14 H new ATOM 0 HG3 ARG A 412 -5.204 -2.943 21.696 1.00 14.14 H new ATOM 0 HD2 ARG A 412 -3.649 -1.211 21.639 1.00 41.42 H new ATOM 0 HD3 ARG A 412 -4.517 -0.241 22.812 1.00 41.42 H new ATOM 0 HE ARG A 412 -3.217 -1.199 24.503 1.00 51.54 H new ATOM 0 HH11 ARG A 412 -3.282 -3.413 21.701 1.00 60.45 H new ATOM 0 HH12 ARG A 412 -2.161 -4.563 22.437 1.00 60.45 H new ATOM 0 HH21 ARG A 412 -1.792 -2.669 25.426 1.00 63.01 H new ATOM 0 HH22 ARG A 412 -1.315 -4.134 24.561 1.00 63.01 H new ATOM 1016 N CYS A 413 -7.591 -2.012 18.549 1.00 45.24 N ATOM 1017 CA CYS A 413 -8.048 -3.084 17.681 1.00 51.21 C ATOM 1018 C CYS A 413 -7.201 -3.065 16.407 1.00 54.13 C ATOM 1019 O CYS A 413 -6.667 -2.024 16.028 1.00 41.13 O ATOM 1020 CB CYS A 413 -9.542 -2.965 17.375 1.00 35.10 C ATOM 1021 SG CYS A 413 -10.508 -3.940 18.586 1.00 54.41 S ATOM 0 H CYS A 413 -7.731 -1.073 18.177 1.00 45.24 H new ATOM 0 HA CYS A 413 -7.922 -4.042 18.185 1.00 51.21 H new ATOM 0 HB2 CYS A 413 -9.847 -1.919 17.412 1.00 35.10 H new ATOM 0 HB3 CYS A 413 -9.744 -3.321 16.365 1.00 35.10 H new ATOM 0 HG CYS A 413 -11.776 -3.831 18.319 1.00 54.41 H new ATOM 1027 N GLU A 414 -7.106 -4.229 15.781 1.00 42.33 N ATOM 1028 CA GLU A 414 -6.333 -4.359 14.557 1.00 52.11 C ATOM 1029 C GLU A 414 -6.883 -3.421 13.480 1.00 25.00 C ATOM 1030 O GLU A 414 -8.047 -3.029 13.529 1.00 12.51 O ATOM 1031 CB GLU A 414 -6.321 -5.808 14.068 1.00 75.45 C ATOM 1032 CG GLU A 414 -5.150 -6.056 13.115 1.00 71.02 C ATOM 1033 CD GLU A 414 -4.757 -7.535 13.103 1.00 45.54 C ATOM 1034 OE1 GLU A 414 -3.833 -7.936 13.826 1.00 63.13 O ATOM 1035 OE2 GLU A 414 -5.449 -8.277 12.307 1.00 51.44 O ATOM 0 H GLU A 414 -7.551 -5.090 16.098 1.00 42.33 H new ATOM 0 HA GLU A 414 -5.303 -4.073 14.769 1.00 52.11 H new ATOM 0 HB2 GLU A 414 -6.249 -6.483 14.921 1.00 75.45 H new ATOM 0 HB3 GLU A 414 -7.260 -6.033 13.562 1.00 75.45 H new ATOM 0 HG2 GLU A 414 -5.423 -5.740 12.108 1.00 71.02 H new ATOM 0 HG3 GLU A 414 -4.295 -5.451 13.418 1.00 71.02 H new ATOM 1043 N ILE A 415 -6.018 -3.089 12.533 1.00 60.04 N ATOM 1044 CA ILE A 415 -6.402 -2.205 11.445 1.00 11.45 C ATOM 1045 C ILE A 415 -6.340 -2.972 10.123 1.00 33.24 C ATOM 1046 O ILE A 415 -5.634 -3.973 10.015 1.00 32.52 O ATOM 1047 CB ILE A 415 -5.548 -0.935 11.460 1.00 21.32 C ATOM 1048 CG1 ILE A 415 -5.283 -0.469 12.893 1.00 21.43 C ATOM 1049 CG2 ILE A 415 -6.185 0.164 10.609 1.00 54.35 C ATOM 1050 CD1 ILE A 415 -4.250 0.659 12.921 1.00 61.03 C ATOM 0 H ILE A 415 -5.053 -3.416 12.496 1.00 60.04 H new ATOM 0 HA ILE A 415 -7.432 -1.871 11.571 1.00 11.45 H new ATOM 0 HB ILE A 415 -4.581 -1.168 11.013 1.00 21.32 H new ATOM 0 HG12 ILE A 415 -6.213 -0.126 13.345 1.00 21.43 H new ATOM 0 HG13 ILE A 415 -4.927 -1.307 13.492 1.00 21.43 H new ATOM 0 HG21 ILE A 415 -5.558 1.055 10.637 1.00 54.35 H new ATOM 0 HG22 ILE A 415 -6.279 -0.181 9.579 1.00 54.35 H new ATOM 0 HG23 ILE A 415 -7.173 0.403 11.003 1.00 54.35 H new ATOM 0 HD11 ILE A 415 -4.080 0.971 13.951 1.00 61.03 H new ATOM 0 HD12 ILE A 415 -3.313 0.305 12.490 1.00 61.03 H new ATOM 0 HD13 ILE A 415 -4.619 1.505 12.341 1.00 61.03 H new ATOM 1062 N LYS A 416 -7.089 -2.473 9.151 1.00 73.41 N ATOM 1063 CA LYS A 416 -7.129 -3.100 7.840 1.00 3.34 C ATOM 1064 C LYS A 416 -6.656 -2.097 6.786 1.00 3.32 C ATOM 1065 O LYS A 416 -5.867 -2.440 5.907 1.00 31.30 O ATOM 1066 CB LYS A 416 -8.519 -3.674 7.563 1.00 73.15 C ATOM 1067 CG LYS A 416 -9.184 -4.151 8.856 1.00 63.35 C ATOM 1068 CD LYS A 416 -8.449 -5.361 9.436 1.00 65.35 C ATOM 1069 CE LYS A 416 -9.398 -6.240 10.253 1.00 40.41 C ATOM 1070 NZ LYS A 416 -10.038 -7.255 9.388 1.00 75.24 N ATOM 0 H LYS A 416 -7.673 -1.642 9.244 1.00 73.41 H new ATOM 0 HA LYS A 416 -6.446 -3.949 7.802 1.00 3.34 H new ATOM 0 HB2 LYS A 416 -9.141 -2.915 7.088 1.00 73.15 H new ATOM 0 HB3 LYS A 416 -8.440 -4.505 6.863 1.00 73.15 H new ATOM 0 HG2 LYS A 416 -9.191 -3.341 9.586 1.00 63.35 H new ATOM 0 HG3 LYS A 416 -10.224 -4.412 8.660 1.00 63.35 H new ATOM 0 HD2 LYS A 416 -8.011 -5.946 8.628 1.00 65.35 H new ATOM 0 HD3 LYS A 416 -7.627 -5.023 10.067 1.00 65.35 H new ATOM 0 HE2 LYS A 416 -8.848 -6.732 11.055 1.00 40.41 H new ATOM 0 HE3 LYS A 416 -10.162 -5.621 10.724 1.00 40.41 H new ATOM 0 HZ1 LYS A 416 -10.679 -7.843 9.958 1.00 75.24 H new ATOM 0 HZ2 LYS A 416 -10.580 -6.780 8.638 1.00 75.24 H new ATOM 0 HZ3 LYS A 416 -9.306 -7.857 8.959 1.00 75.24 H new ATOM 1083 N GLY A 417 -7.157 -0.877 6.909 1.00 14.33 N ATOM 1084 CA GLY A 417 -6.796 0.179 5.978 1.00 31.50 C ATOM 1085 C GLY A 417 -5.969 1.263 6.672 1.00 63.42 C ATOM 1086 O GLY A 417 -6.372 1.788 7.708 1.00 22.14 O ATOM 0 H GLY A 417 -7.811 -0.596 7.640 1.00 14.33 H new ATOM 0 HA2 GLY A 417 -6.228 -0.241 5.148 1.00 31.50 H new ATOM 0 HA3 GLY A 417 -7.699 0.620 5.555 1.00 31.50 H new ATOM 1090 N THR A 418 -4.827 1.565 6.072 1.00 42.20 N ATOM 1091 CA THR A 418 -3.939 2.577 6.619 1.00 12.13 C ATOM 1092 C THR A 418 -3.040 3.148 5.521 1.00 24.31 C ATOM 1093 O THR A 418 -2.350 2.401 4.828 1.00 0.14 O ATOM 1094 CB THR A 418 -3.161 1.948 7.776 1.00 20.43 C ATOM 1095 OG1 THR A 418 -2.604 0.762 7.216 1.00 71.13 O ATOM 1096 CG2 THR A 418 -4.078 1.438 8.890 1.00 1.01 C ATOM 0 H THR A 418 -4.496 1.127 5.212 1.00 42.20 H new ATOM 0 HA THR A 418 -4.500 3.426 7.010 1.00 12.13 H new ATOM 0 HB THR A 418 -2.465 2.680 8.185 1.00 20.43 H new ATOM 0 HG1 THR A 418 -2.254 0.956 6.321 1.00 71.13 H new ATOM 0 HG21 THR A 418 -3.475 1.001 9.686 1.00 1.01 H new ATOM 0 HG22 THR A 418 -4.661 2.268 9.290 1.00 1.01 H new ATOM 0 HG23 THR A 418 -4.752 0.681 8.489 1.00 1.01 H new ATOM 1104 N GLU A 419 -3.076 4.466 5.396 1.00 1.25 N ATOM 1105 CA GLU A 419 -2.272 5.146 4.394 1.00 35.43 C ATOM 1106 C GLU A 419 -2.062 6.610 4.786 1.00 60.41 C ATOM 1107 O GLU A 419 -2.899 7.200 5.467 1.00 3.10 O ATOM 1108 CB GLU A 419 -2.914 5.035 3.010 1.00 53.21 C ATOM 1109 CG GLU A 419 -4.321 5.637 3.008 1.00 2.40 C ATOM 1110 CD GLU A 419 -4.717 6.100 1.605 1.00 51.54 C ATOM 1111 OE1 GLU A 419 -5.728 5.633 1.060 1.00 61.42 O ATOM 1112 OE2 GLU A 419 -3.933 6.980 1.079 1.00 32.01 O ATOM 0 H GLU A 419 -3.650 5.082 5.972 1.00 1.25 H new ATOM 0 HA GLU A 419 -1.297 4.660 4.346 1.00 35.43 H new ATOM 0 HB2 GLU A 419 -2.294 5.549 2.275 1.00 53.21 H new ATOM 0 HB3 GLU A 419 -2.962 3.988 2.710 1.00 53.21 H new ATOM 0 HG2 GLU A 419 -5.037 4.898 3.367 1.00 2.40 H new ATOM 0 HG3 GLU A 419 -4.361 6.480 3.698 1.00 2.40 H new ATOM 1120 N PRO A 420 -0.910 7.167 4.327 1.00 42.53 N ATOM 1121 CA PRO A 420 -0.579 8.551 4.622 1.00 43.12 C ATOM 1122 C PRO A 420 -1.420 9.509 3.776 1.00 73.32 C ATOM 1123 O PRO A 420 -1.109 9.751 2.611 1.00 44.11 O ATOM 1124 CB PRO A 420 0.911 8.667 4.345 1.00 63.22 C ATOM 1125 CG PRO A 420 1.265 7.478 3.466 1.00 4.02 C ATOM 1126 CD PRO A 420 0.105 6.498 3.517 1.00 15.34 C ATOM 0 HA PRO A 420 -0.802 8.826 5.653 1.00 43.12 H new ATOM 0 HB2 PRO A 420 1.143 9.606 3.843 1.00 63.22 H new ATOM 0 HB3 PRO A 420 1.483 8.651 5.273 1.00 63.22 H new ATOM 0 HG2 PRO A 420 1.446 7.802 2.441 1.00 4.02 H new ATOM 0 HG3 PRO A 420 2.181 7.003 3.817 1.00 4.02 H new ATOM 0 HD2 PRO A 420 -0.269 6.275 2.518 1.00 15.34 H new ATOM 0 HD3 PRO A 420 0.406 5.550 3.963 1.00 15.34 H new ATOM 1134 N ILE A 421 -2.471 10.027 4.395 1.00 5.41 N ATOM 1135 CA ILE A 421 -3.359 10.953 3.714 1.00 52.33 C ATOM 1136 C ILE A 421 -3.084 12.375 4.208 1.00 64.13 C ATOM 1137 O ILE A 421 -2.446 12.564 5.243 1.00 71.45 O ATOM 1138 CB ILE A 421 -4.816 10.517 3.878 1.00 33.33 C ATOM 1139 CG1 ILE A 421 -5.409 11.063 5.179 1.00 40.43 C ATOM 1140 CG2 ILE A 421 -4.947 8.995 3.784 1.00 3.11 C ATOM 1141 CD1 ILE A 421 -5.956 12.478 4.980 1.00 42.54 C ATOM 0 H ILE A 421 -2.727 9.823 5.361 1.00 5.41 H new ATOM 0 HA ILE A 421 -3.166 10.945 2.641 1.00 52.33 H new ATOM 0 HB ILE A 421 -5.394 10.942 3.057 1.00 33.33 H new ATOM 0 HG12 ILE A 421 -6.207 10.406 5.523 1.00 40.43 H new ATOM 0 HG13 ILE A 421 -4.645 11.070 5.956 1.00 40.43 H new ATOM 0 HG21 ILE A 421 -5.993 8.712 3.904 1.00 3.11 H new ATOM 0 HG22 ILE A 421 -4.589 8.658 2.811 1.00 3.11 H new ATOM 0 HG23 ILE A 421 -4.353 8.529 4.570 1.00 3.11 H new ATOM 0 HD11 ILE A 421 -6.372 12.843 5.919 1.00 42.54 H new ATOM 0 HD12 ILE A 421 -5.150 13.138 4.659 1.00 42.54 H new ATOM 0 HD13 ILE A 421 -6.737 12.463 4.219 1.00 42.54 H new ATOM 1153 N ILE A 422 -3.578 13.339 3.444 1.00 23.53 N ATOM 1154 CA ILE A 422 -3.393 14.737 3.791 1.00 3.34 C ATOM 1155 C ILE A 422 -4.747 15.353 4.147 1.00 12.44 C ATOM 1156 O ILE A 422 -5.564 15.618 3.266 1.00 22.43 O ATOM 1157 CB ILE A 422 -2.657 15.475 2.671 1.00 72.34 C ATOM 1158 CG1 ILE A 422 -1.182 15.071 2.625 1.00 50.22 C ATOM 1159 CG2 ILE A 422 -2.833 16.989 2.803 1.00 74.23 C ATOM 1160 CD1 ILE A 422 -0.993 13.772 1.838 1.00 10.53 C ATOM 0 H ILE A 422 -4.106 13.179 2.586 1.00 23.53 H new ATOM 0 HA ILE A 422 -2.758 14.830 4.672 1.00 3.34 H new ATOM 0 HB ILE A 422 -3.101 15.182 1.720 1.00 72.34 H new ATOM 0 HG12 ILE A 422 -0.597 15.868 2.165 1.00 50.22 H new ATOM 0 HG13 ILE A 422 -0.804 14.944 3.640 1.00 50.22 H new ATOM 0 HG21 ILE A 422 -2.300 17.489 1.994 1.00 74.23 H new ATOM 0 HG22 ILE A 422 -3.893 17.238 2.748 1.00 74.23 H new ATOM 0 HG23 ILE A 422 -2.432 17.320 3.761 1.00 74.23 H new ATOM 0 HD11 ILE A 422 0.064 13.508 1.821 1.00 10.53 H new ATOM 0 HD12 ILE A 422 -1.559 12.972 2.315 1.00 10.53 H new ATOM 0 HD13 ILE A 422 -1.349 13.910 0.817 1.00 10.53 H new ATOM 1172 N VAL A 423 -4.944 15.564 5.441 1.00 41.35 N ATOM 1173 CA VAL A 423 -6.185 16.144 5.924 1.00 54.41 C ATOM 1174 C VAL A 423 -6.162 17.656 5.689 1.00 55.13 C ATOM 1175 O VAL A 423 -5.131 18.301 5.873 1.00 15.01 O ATOM 1176 CB VAL A 423 -6.401 15.771 7.392 1.00 42.01 C ATOM 1177 CG1 VAL A 423 -7.818 16.127 7.846 1.00 62.21 C ATOM 1178 CG2 VAL A 423 -6.105 14.289 7.630 1.00 65.12 C ATOM 0 H VAL A 423 -4.265 15.343 6.169 1.00 41.35 H new ATOM 0 HA VAL A 423 -7.034 15.742 5.372 1.00 54.41 H new ATOM 0 HB VAL A 423 -5.701 16.353 7.992 1.00 42.01 H new ATOM 0 HG11 VAL A 423 -7.945 15.851 8.893 1.00 62.21 H new ATOM 0 HG12 VAL A 423 -7.978 17.199 7.731 1.00 62.21 H new ATOM 0 HG13 VAL A 423 -8.542 15.585 7.238 1.00 62.21 H new ATOM 0 HG21 VAL A 423 -6.266 14.050 8.681 1.00 65.12 H new ATOM 0 HG22 VAL A 423 -6.768 13.682 7.014 1.00 65.12 H new ATOM 0 HG23 VAL A 423 -5.069 14.078 7.365 1.00 65.12 H new ATOM 1188 N ASP A 424 -7.312 18.177 5.285 1.00 43.31 N ATOM 1189 CA ASP A 424 -7.437 19.601 5.023 1.00 45.04 C ATOM 1190 C ASP A 424 -8.668 20.143 5.751 1.00 41.41 C ATOM 1191 O ASP A 424 -9.686 19.460 5.850 1.00 50.32 O ATOM 1192 CB ASP A 424 -7.614 19.872 3.527 1.00 12.04 C ATOM 1193 CG ASP A 424 -6.333 19.779 2.697 1.00 62.05 C ATOM 1194 OD1 ASP A 424 -5.354 20.497 2.950 1.00 70.14 O ATOM 1195 OD2 ASP A 424 -6.365 18.913 1.741 1.00 44.45 O ATOM 0 H ASP A 424 -8.165 17.639 5.133 1.00 43.31 H new ATOM 0 HA ASP A 424 -6.528 20.090 5.373 1.00 45.04 H new ATOM 0 HB2 ASP A 424 -8.340 19.163 3.128 1.00 12.04 H new ATOM 0 HB3 ASP A 424 -8.039 20.868 3.401 1.00 12.04 H new ATOM 1201 N PRO A 425 -8.531 21.399 6.255 1.00 23.13 N ATOM 1202 CA PRO A 425 -9.620 22.041 6.972 1.00 63.24 C ATOM 1203 C PRO A 425 -10.710 22.510 6.006 1.00 3.41 C ATOM 1204 O PRO A 425 -10.462 22.663 4.811 1.00 4.41 O ATOM 1205 CB PRO A 425 -8.969 23.183 7.734 1.00 14.44 C ATOM 1206 CG PRO A 425 -7.630 23.427 7.058 1.00 22.34 C ATOM 1207 CD PRO A 425 -7.340 22.238 6.157 1.00 23.43 C ATOM 0 HA PRO A 425 -10.131 21.364 7.656 1.00 63.24 H new ATOM 0 HB2 PRO A 425 -9.591 24.078 7.703 1.00 14.44 H new ATOM 0 HB3 PRO A 425 -8.835 22.925 8.784 1.00 14.44 H new ATOM 0 HG2 PRO A 425 -7.658 24.349 6.477 1.00 22.34 H new ATOM 0 HG3 PRO A 425 -6.842 23.543 7.802 1.00 22.34 H new ATOM 0 HD2 PRO A 425 -7.162 22.554 5.129 1.00 23.43 H new ATOM 0 HD3 PRO A 425 -6.450 21.701 6.484 1.00 23.43 H new ATOM 1215 N PHE A 426 -11.894 22.726 6.560 1.00 3.13 N ATOM 1216 CA PHE A 426 -13.022 23.175 5.763 1.00 15.32 C ATOM 1217 C PHE A 426 -12.682 24.460 5.005 1.00 21.03 C ATOM 1218 O PHE A 426 -13.122 24.652 3.873 1.00 63.12 O ATOM 1219 CB PHE A 426 -14.171 23.459 6.734 1.00 44.02 C ATOM 1220 CG PHE A 426 -15.331 24.239 6.113 1.00 14.34 C ATOM 1221 CD1 PHE A 426 -16.023 23.712 5.068 1.00 41.45 C ATOM 1222 CD2 PHE A 426 -15.672 25.460 6.608 1.00 64.32 C ATOM 1223 CE1 PHE A 426 -17.100 24.436 4.492 1.00 51.52 C ATOM 1224 CE2 PHE A 426 -16.749 26.184 6.032 1.00 61.20 C ATOM 1225 CZ PHE A 426 -17.440 25.657 4.986 1.00 34.11 C ATOM 0 H PHE A 426 -12.096 22.598 7.552 1.00 3.13 H new ATOM 0 HA PHE A 426 -13.287 22.412 5.031 1.00 15.32 H new ATOM 0 HB2 PHE A 426 -14.549 22.513 7.121 1.00 44.02 H new ATOM 0 HB3 PHE A 426 -13.784 24.019 7.585 1.00 44.02 H new ATOM 0 HD1 PHE A 426 -15.753 22.742 4.676 1.00 41.45 H new ATOM 0 HD2 PHE A 426 -15.123 25.878 7.439 1.00 64.32 H new ATOM 0 HE1 PHE A 426 -17.649 24.017 3.662 1.00 51.52 H new ATOM 0 HE2 PHE A 426 -17.019 27.153 6.425 1.00 61.20 H new ATOM 0 HZ PHE A 426 -18.259 26.208 4.547 1.00 34.11 H new