USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 615 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 407 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 413 HIS : no HE2:sc= 0.395 K(o=0.4,f=-2.5!) USER MOD Set 2.1: A 374 TYR OH : rot -70:sc= -0.561 USER MOD Set 2.2: A 384 GLN : amide:sc= 0.0553 K(o=-0.51,f=-1.2) USER MOD Set 3.1: A 365 THR OG1 : rot 68:sc= 0.246 USER MOD Set 3.2: A 426 ASN : amide:sc= -0.1 K(o=0.15,f=-0.61) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 140:sc= -1.46 (180deg=-3.89!) USER MOD Single : A 363 MET CE :methyl -166:sc= -2.23 (180deg=-2.61!) USER MOD Single : A 366 LYS NZ :NH3+ 171:sc= 1.18 (180deg=0.982) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc=-0.000792 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 381 ASN :FLIP amide:sc= -0.862 F(o=-1.8,f=-0.86) USER MOD Single : A 386 SER OG : rot 80:sc= 1.15 USER MOD Single : A 391 ASN :FLIP amide:sc=-0.00761 F(o=-1.8!,f=-0.0076) USER MOD Single : A 394 SER OG : rot -3:sc= 0.298 USER MOD Single : A 395 GLN : amide:sc= -3.82! C(o=-3.8!,f=-6.4!) USER MOD Single : A 398 ASN : amide:sc= 0.572 K(o=0.57,f=-0.14) USER MOD Single : A 401 LYS NZ :NH3+ 163:sc= 1.13 (180deg=0.831) USER MOD Single : A 402 TYR OH : rot -130:sc= -1.77 USER MOD Single : A 404 ASN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 406 GLN : amide:sc= -0.278 K(o=-0.28,f=-1.3) USER MOD Single : A 410 ASN : amide:sc= -0.563 K(o=-0.56,f=-2.3!) USER MOD Single : A 415 SER OG : rot -26:sc= 0.715 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot -9:sc= 0.738 USER MOD Single : A 435 GLN : amide:sc= 0.728 K(o=0.73,f=-0.023) USER MOD Single : A 436 LYS NZ :NH3+ 153:sc= -0.835! (180deg=-2.27!) USER MOD Single : A 439 TYR OH : rot -75:sc= 0.0121 USER MOD Single : A 442 LYS NZ :NH3+ -137:sc= 1.24 (180deg=0.792) USER MOD Single : A 443 MET CE :methyl 156:sc= -0.708 (180deg=-2.16) USER MOD Single : A 444 LYS NZ :NH3+ 172:sc=-0.00536 (180deg=-0.0876) USER MOD Single : A 445 SER OG : rot 180:sc= -0.297 USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 8.451 13.921 4.528 1.00 20.14 N ATOM 2 CA TYR A 357 7.355 12.968 4.509 1.00 73.45 C ATOM 3 C TYR A 357 7.300 12.233 3.174 1.00 52.42 C ATOM 4 O TYR A 357 6.425 11.411 2.948 1.00 62.12 O ATOM 5 CB TYR A 357 6.017 13.671 4.784 1.00 73.22 C ATOM 6 CG TYR A 357 5.911 14.305 6.154 1.00 42.23 C ATOM 7 CD1 TYR A 357 5.513 13.558 7.256 1.00 31.50 C ATOM 8 CD2 TYR A 357 6.194 15.650 6.344 1.00 34.15 C ATOM 9 CE1 TYR A 357 5.404 14.133 8.504 1.00 74.24 C ATOM 10 CE2 TYR A 357 6.089 16.232 7.589 1.00 62.31 C ATOM 11 CZ TYR A 357 5.692 15.471 8.665 1.00 20.44 C ATOM 12 OH TYR A 357 5.586 16.048 9.911 1.00 25.24 O ATOM 0 HA TYR A 357 7.531 12.238 5.299 1.00 73.45 H new ATOM 0 HB2 TYR A 357 5.864 14.441 4.028 1.00 73.22 H new ATOM 0 HB3 TYR A 357 5.210 12.947 4.669 1.00 73.22 H new ATOM 0 HD1 TYR A 357 5.285 12.510 7.133 1.00 31.50 H new ATOM 0 HD2 TYR A 357 6.502 16.251 5.502 1.00 34.15 H new ATOM 0 HE1 TYR A 357 5.095 13.538 9.351 1.00 74.24 H new ATOM 0 HE2 TYR A 357 6.317 17.280 7.720 1.00 62.31 H new ATOM 0 HH TYR A 357 5.825 16.997 9.854 1.00 25.24 H new ATOM 24 N ARG A 358 8.258 12.513 2.300 1.00 1.42 N ATOM 25 CA ARG A 358 8.278 11.943 0.975 1.00 21.20 C ATOM 26 C ARG A 358 8.886 10.545 1.014 1.00 74.10 C ATOM 27 O ARG A 358 10.096 10.387 1.203 1.00 72.32 O ATOM 28 CB ARG A 358 9.075 12.848 0.034 1.00 0.04 C ATOM 29 CG ARG A 358 9.063 12.425 -1.424 1.00 10.25 C ATOM 30 CD ARG A 358 9.922 13.360 -2.253 1.00 30.21 C ATOM 31 NE ARG A 358 9.869 13.046 -3.685 1.00 34.01 N ATOM 32 CZ ARG A 358 10.766 13.453 -4.591 1.00 44.22 C ATOM 33 NH1 ARG A 358 11.837 14.140 -4.204 1.00 2.24 N ATOM 34 NH2 ARG A 358 10.583 13.170 -5.883 1.00 71.24 N ATOM 0 H ARG A 358 9.038 13.141 2.497 1.00 1.42 H new ATOM 0 HA ARG A 358 7.256 11.864 0.604 1.00 21.20 H new ATOM 0 HB2 ARG A 358 8.679 13.861 0.106 1.00 0.04 H new ATOM 0 HB3 ARG A 358 10.109 12.884 0.378 1.00 0.04 H new ATOM 0 HG2 ARG A 358 9.433 11.404 -1.516 1.00 10.25 H new ATOM 0 HG3 ARG A 358 8.041 12.429 -1.802 1.00 10.25 H new ATOM 0 HD2 ARG A 358 9.592 14.387 -2.097 1.00 30.21 H new ATOM 0 HD3 ARG A 358 10.955 13.301 -1.909 1.00 30.21 H new ATOM 0 HE ARG A 358 9.091 12.475 -4.015 1.00 34.01 H new ATOM 0 HH11 ARG A 358 11.975 14.357 -3.217 1.00 2.24 H new ATOM 0 HH12 ARG A 358 12.521 14.450 -4.894 1.00 2.24 H new ATOM 0 HH21 ARG A 358 9.760 12.644 -6.178 1.00 71.24 H new ATOM 0 HH22 ARG A 358 11.266 13.480 -6.575 1.00 71.24 H new ATOM 46 N ALA A 359 8.032 9.555 0.865 1.00 34.15 N ATOM 47 CA ALA A 359 8.416 8.149 0.855 1.00 10.41 C ATOM 48 C ALA A 359 9.439 7.826 -0.252 1.00 62.14 C ATOM 49 O ALA A 359 9.494 8.503 -1.292 1.00 63.53 O ATOM 50 CB ALA A 359 7.196 7.247 0.776 1.00 23.44 C ATOM 0 H ALA A 359 7.030 9.702 0.745 1.00 34.15 H new ATOM 0 HA ALA A 359 8.916 7.949 1.803 1.00 10.41 H new ATOM 0 HB1 ALA A 359 7.514 6.204 0.770 1.00 23.44 H new ATOM 0 HB2 ALA A 359 6.555 7.426 1.639 1.00 23.44 H new ATOM 0 HB3 ALA A 359 6.643 7.463 -0.138 1.00 23.44 H new ATOM 56 N ILE A 360 10.233 6.800 -0.020 1.00 74.22 N ATOM 57 CA ILE A 360 11.327 6.430 -0.911 1.00 30.41 C ATOM 58 C ILE A 360 10.776 5.648 -2.107 1.00 32.30 C ATOM 59 O ILE A 360 10.049 4.682 -1.944 1.00 72.12 O ATOM 60 CB ILE A 360 12.355 5.554 -0.140 1.00 53.44 C ATOM 61 CG1 ILE A 360 12.884 6.321 1.083 1.00 54.14 C ATOM 62 CG2 ILE A 360 13.506 5.120 -1.049 1.00 64.14 C ATOM 63 CD1 ILE A 360 13.821 5.523 1.963 1.00 23.53 C ATOM 0 H ILE A 360 10.141 6.193 0.795 1.00 74.22 H new ATOM 0 HA ILE A 360 11.821 7.333 -1.270 1.00 30.41 H new ATOM 0 HB ILE A 360 11.850 4.651 0.202 1.00 53.44 H new ATOM 0 HG12 ILE A 360 13.402 7.216 0.739 1.00 54.14 H new ATOM 0 HG13 ILE A 360 12.037 6.654 1.683 1.00 54.14 H new ATOM 0 HG21 ILE A 360 14.208 4.509 -0.481 1.00 64.14 H new ATOM 0 HG22 ILE A 360 13.112 4.539 -1.883 1.00 64.14 H new ATOM 0 HG23 ILE A 360 14.020 6.002 -1.432 1.00 64.14 H new ATOM 0 HD11 ILE A 360 14.146 6.139 2.801 1.00 23.53 H new ATOM 0 HD12 ILE A 360 13.303 4.641 2.340 1.00 23.53 H new ATOM 0 HD13 ILE A 360 14.690 5.213 1.382 1.00 23.53 H new ATOM 70 N LYS A 361 11.132 6.096 -3.299 1.00 13.31 N ATOM 71 CA LYS A 361 10.598 5.553 -4.542 1.00 22.31 C ATOM 72 C LYS A 361 11.466 4.424 -5.078 1.00 63.33 C ATOM 73 O LYS A 361 12.635 4.309 -4.720 1.00 63.14 O ATOM 74 CB LYS A 361 10.555 6.659 -5.595 1.00 74.40 C ATOM 75 CG LYS A 361 9.834 7.914 -5.149 1.00 44.20 C ATOM 76 CD LYS A 361 9.793 9.025 -6.221 1.00 70.13 C ATOM 77 CE LYS A 361 11.170 9.639 -6.584 1.00 63.11 C ATOM 78 NZ LYS A 361 12.102 8.706 -7.266 1.00 23.43 N ATOM 0 H LYS A 361 11.804 6.851 -3.435 1.00 13.31 H new ATOM 0 HA LYS A 361 9.601 5.164 -4.335 1.00 22.31 H new ATOM 0 HB2 LYS A 361 11.576 6.920 -5.874 1.00 74.40 H new ATOM 0 HB3 LYS A 361 10.069 6.273 -6.491 1.00 74.40 H new ATOM 0 HG2 LYS A 361 8.813 7.655 -4.869 1.00 44.20 H new ATOM 0 HG3 LYS A 361 10.321 8.303 -4.255 1.00 44.20 H new ATOM 0 HD2 LYS A 361 9.344 8.618 -7.127 1.00 70.13 H new ATOM 0 HD3 LYS A 361 9.138 9.823 -5.871 1.00 70.13 H new ATOM 0 HE2 LYS A 361 11.009 10.505 -7.226 1.00 63.11 H new ATOM 0 HE3 LYS A 361 11.643 10.002 -5.672 1.00 63.11 H new ATOM 0 HZ1 LYS A 361 12.610 9.212 -8.020 1.00 23.43 H new ATOM 0 HZ2 LYS A 361 12.786 8.334 -6.577 1.00 23.43 H new ATOM 0 HZ3 LYS A 361 11.564 7.918 -7.679 1.00 23.43 H new ATOM 92 N GLY A 362 10.872 3.577 -5.906 1.00 1.24 N ATOM 93 CA GLY A 362 11.620 2.545 -6.623 1.00 31.25 C ATOM 94 C GLY A 362 11.899 1.294 -5.828 1.00 72.24 C ATOM 95 O GLY A 362 11.987 0.201 -6.398 1.00 31.30 O ATOM 0 H GLY A 362 9.871 3.581 -6.101 1.00 1.24 H new ATOM 0 HA2 GLY A 362 11.064 2.271 -7.520 1.00 31.25 H new ATOM 0 HA3 GLY A 362 12.569 2.968 -6.952 1.00 31.25 H new ATOM 99 N MET A 363 12.067 1.429 -4.540 1.00 5.22 N ATOM 100 CA MET A 363 12.328 0.278 -3.713 1.00 24.44 C ATOM 101 C MET A 363 11.065 -0.521 -3.485 1.00 53.23 C ATOM 102 O MET A 363 9.938 0.005 -3.626 1.00 43.12 O ATOM 103 CB MET A 363 13.066 0.646 -2.396 1.00 2.30 C ATOM 104 CG MET A 363 12.374 1.634 -1.459 1.00 23.21 C ATOM 105 SD MET A 363 10.882 1.001 -0.675 1.00 2.22 S ATOM 106 CE MET A 363 10.442 2.415 0.319 1.00 41.00 C ATOM 0 H MET A 363 12.029 2.318 -4.041 1.00 5.22 H new ATOM 0 HA MET A 363 13.019 -0.369 -4.254 1.00 24.44 H new ATOM 0 HB2 MET A 363 13.247 -0.275 -1.842 1.00 2.30 H new ATOM 0 HB3 MET A 363 14.041 1.056 -2.659 1.00 2.30 H new ATOM 0 HG2 MET A 363 13.078 1.933 -0.683 1.00 23.21 H new ATOM 0 HG3 MET A 363 12.120 2.532 -2.022 1.00 23.21 H new ATOM 0 HE1 MET A 363 9.693 2.123 1.055 1.00 41.00 H new ATOM 0 HE2 MET A 363 11.328 2.789 0.832 1.00 41.00 H new ATOM 0 HE3 MET A 363 10.036 3.198 -0.322 1.00 41.00 H new ATOM 116 N GLU A 364 11.235 -1.773 -3.178 1.00 41.35 N ATOM 117 CA GLU A 364 10.124 -2.634 -2.967 1.00 31.15 C ATOM 118 C GLU A 364 10.100 -3.137 -1.541 1.00 54.42 C ATOM 119 O GLU A 364 11.138 -3.463 -0.952 1.00 61.30 O ATOM 120 CB GLU A 364 10.121 -3.803 -3.965 1.00 1.15 C ATOM 121 CG GLU A 364 11.350 -4.698 -3.914 1.00 24.34 C ATOM 122 CD GLU A 364 11.235 -5.872 -4.848 1.00 51.44 C ATOM 123 OE1 GLU A 364 10.571 -6.857 -4.485 1.00 3.54 O ATOM 124 OE2 GLU A 364 11.798 -5.830 -5.963 1.00 74.52 O ATOM 0 H GLU A 364 12.146 -2.219 -3.069 1.00 41.35 H new ATOM 0 HA GLU A 364 9.217 -2.055 -3.139 1.00 31.15 H new ATOM 0 HB2 GLU A 364 9.237 -4.415 -3.782 1.00 1.15 H new ATOM 0 HB3 GLU A 364 10.026 -3.400 -4.973 1.00 1.15 H new ATOM 0 HG2 GLU A 364 12.234 -4.115 -4.173 1.00 24.34 H new ATOM 0 HG3 GLU A 364 11.493 -5.058 -2.895 1.00 24.34 H new ATOM 131 N THR A 365 8.941 -3.172 -0.985 1.00 54.03 N ATOM 132 CA THR A 365 8.744 -3.670 0.346 1.00 55.21 C ATOM 133 C THR A 365 7.706 -4.778 0.306 1.00 61.11 C ATOM 134 O THR A 365 6.726 -4.688 -0.438 1.00 14.45 O ATOM 135 CB THR A 365 8.294 -2.523 1.282 1.00 71.14 C ATOM 136 OG1 THR A 365 9.300 -1.489 1.309 1.00 63.54 O ATOM 137 CG2 THR A 365 8.027 -3.017 2.694 1.00 62.15 C ATOM 0 H THR A 365 8.086 -2.853 -1.441 1.00 54.03 H new ATOM 0 HA THR A 365 9.679 -4.071 0.736 1.00 55.21 H new ATOM 0 HB THR A 365 7.361 -2.121 0.888 1.00 71.14 H new ATOM 0 HG1 THR A 365 9.342 -1.050 0.434 1.00 63.54 H new ATOM 0 HG21 THR A 365 7.714 -2.181 3.319 1.00 62.15 H new ATOM 0 HG22 THR A 365 7.239 -3.770 2.673 1.00 62.15 H new ATOM 0 HG23 THR A 365 8.937 -3.455 3.104 1.00 62.15 H new ATOM 143 N LYS A 366 7.940 -5.824 1.059 1.00 12.34 N ATOM 144 CA LYS A 366 7.042 -6.934 1.103 1.00 74.23 C ATOM 145 C LYS A 366 6.980 -7.522 2.496 1.00 41.51 C ATOM 146 O LYS A 366 7.994 -7.611 3.186 1.00 13.31 O ATOM 147 CB LYS A 366 7.449 -7.992 0.094 1.00 4.51 C ATOM 148 CG LYS A 366 8.842 -8.546 0.298 1.00 62.10 C ATOM 149 CD LYS A 366 9.136 -9.628 -0.695 1.00 42.02 C ATOM 150 CE LYS A 366 9.304 -9.099 -2.119 1.00 50.10 C ATOM 151 NZ LYS A 366 10.486 -8.216 -2.242 1.00 15.12 N ATOM 0 H LYS A 366 8.761 -5.923 1.656 1.00 12.34 H new ATOM 0 HA LYS A 366 6.047 -6.575 0.841 1.00 74.23 H new ATOM 0 HB2 LYS A 366 6.734 -8.814 0.139 1.00 4.51 H new ATOM 0 HB3 LYS A 366 7.383 -7.566 -0.907 1.00 4.51 H new ATOM 0 HG2 LYS A 366 9.575 -7.745 0.197 1.00 62.10 H new ATOM 0 HG3 LYS A 366 8.937 -8.940 1.310 1.00 62.10 H new ATOM 0 HD2 LYS A 366 10.045 -10.150 -0.397 1.00 42.02 H new ATOM 0 HD3 LYS A 366 8.328 -10.359 -0.678 1.00 42.02 H new ATOM 0 HE2 LYS A 366 9.403 -9.937 -2.809 1.00 50.10 H new ATOM 0 HE3 LYS A 366 8.409 -8.550 -2.411 1.00 50.10 H new ATOM 0 HZ1 LYS A 366 10.655 -8.000 -3.245 1.00 15.12 H new ATOM 0 HZ2 LYS A 366 10.314 -7.332 -1.722 1.00 15.12 H new ATOM 0 HZ3 LYS A 366 11.320 -8.695 -1.845 1.00 15.12 H new ATOM 165 N ARG A 367 5.802 -7.914 2.905 1.00 44.54 N ATOM 166 CA ARG A 367 5.584 -8.496 4.212 1.00 21.25 C ATOM 167 C ARG A 367 4.287 -9.299 4.189 1.00 3.05 C ATOM 168 O ARG A 367 3.286 -8.856 3.625 1.00 70.14 O ATOM 169 CB ARG A 367 5.638 -7.374 5.314 1.00 23.30 C ATOM 170 CG ARG A 367 5.381 -7.802 6.769 1.00 73.44 C ATOM 171 CD ARG A 367 3.913 -7.865 7.079 1.00 2.31 C ATOM 172 NE ARG A 367 3.614 -8.406 8.408 1.00 4.21 N ATOM 173 CZ ARG A 367 2.779 -7.837 9.288 1.00 64.51 C ATOM 174 NH1 ARG A 367 2.420 -6.563 9.145 1.00 23.41 N ATOM 175 NH2 ARG A 367 2.358 -8.522 10.338 1.00 24.22 N ATOM 0 H ARG A 367 4.957 -7.840 2.339 1.00 44.54 H new ATOM 0 HA ARG A 367 6.377 -9.198 4.472 1.00 21.25 H new ATOM 0 HB2 ARG A 367 6.620 -6.904 5.269 1.00 23.30 H new ATOM 0 HB3 ARG A 367 4.906 -6.609 5.053 1.00 23.30 H new ATOM 0 HG2 ARG A 367 5.832 -8.778 6.946 1.00 73.44 H new ATOM 0 HG3 ARG A 367 5.866 -7.099 7.446 1.00 73.44 H new ATOM 0 HD2 ARG A 367 3.491 -6.863 7.001 1.00 2.31 H new ATOM 0 HD3 ARG A 367 3.418 -8.479 6.327 1.00 2.31 H new ATOM 0 HE ARG A 367 4.073 -9.275 8.682 1.00 4.21 H new ATOM 0 HH11 ARG A 367 2.781 -6.016 8.363 1.00 23.41 H new ATOM 0 HH12 ARG A 367 1.784 -6.134 9.817 1.00 23.41 H new ATOM 0 HH21 ARG A 367 2.669 -9.483 10.478 1.00 24.22 H new ATOM 0 HH22 ARG A 367 1.722 -8.089 11.008 1.00 24.22 H new ATOM 187 N GLU A 368 4.323 -10.479 4.763 1.00 75.04 N ATOM 188 CA GLU A 368 3.188 -11.389 4.745 1.00 71.33 C ATOM 189 C GLU A 368 2.214 -11.043 5.842 1.00 32.11 C ATOM 190 O GLU A 368 2.603 -10.870 6.996 1.00 42.35 O ATOM 191 CB GLU A 368 3.670 -12.817 4.887 1.00 15.23 C ATOM 192 CG GLU A 368 4.671 -13.210 3.828 1.00 31.54 C ATOM 193 CD GLU A 368 5.145 -14.616 3.984 1.00 24.24 C ATOM 194 OE1 GLU A 368 6.039 -14.870 4.823 1.00 44.55 O ATOM 195 OE2 GLU A 368 4.637 -15.496 3.279 1.00 44.01 O ATOM 0 H GLU A 368 5.138 -10.841 5.258 1.00 75.04 H new ATOM 0 HA GLU A 368 2.671 -11.288 3.791 1.00 71.33 H new ATOM 0 HB2 GLU A 368 4.121 -12.946 5.871 1.00 15.23 H new ATOM 0 HB3 GLU A 368 2.814 -13.490 4.838 1.00 15.23 H new ATOM 0 HG2 GLU A 368 4.220 -13.089 2.843 1.00 31.54 H new ATOM 0 HG3 GLU A 368 5.526 -12.535 3.872 1.00 31.54 H new ATOM 202 N ILE A 369 0.953 -10.925 5.486 1.00 53.35 N ATOM 203 CA ILE A 369 -0.064 -10.516 6.409 1.00 1.02 C ATOM 204 C ILE A 369 -1.250 -11.388 6.153 1.00 3.02 C ATOM 205 O ILE A 369 -1.642 -11.538 5.012 1.00 44.43 O ATOM 206 CB ILE A 369 -0.474 -9.045 6.143 1.00 64.31 C ATOM 207 CG1 ILE A 369 0.765 -8.175 6.037 1.00 73.52 C ATOM 208 CG2 ILE A 369 -1.342 -8.543 7.289 1.00 31.30 C ATOM 209 CD1 ILE A 369 0.511 -6.770 5.608 1.00 50.54 C ATOM 0 H ILE A 369 0.611 -11.112 4.543 1.00 53.35 H new ATOM 0 HA ILE A 369 0.298 -10.599 7.434 1.00 1.02 H new ATOM 0 HB ILE A 369 -1.033 -8.995 5.208 1.00 64.31 H new ATOM 0 HG12 ILE A 369 1.264 -8.159 7.006 1.00 73.52 H new ATOM 0 HG13 ILE A 369 1.455 -8.636 5.331 1.00 73.52 H new ATOM 0 HG21 ILE A 369 -1.630 -7.509 7.101 1.00 31.30 H new ATOM 0 HG22 ILE A 369 -2.237 -9.161 7.365 1.00 31.30 H new ATOM 0 HG23 ILE A 369 -0.781 -8.600 8.222 1.00 31.30 H new ATOM 0 HD11 ILE A 369 1.455 -6.227 5.562 1.00 50.54 H new ATOM 0 HD12 ILE A 369 0.043 -6.769 4.624 1.00 50.54 H new ATOM 0 HD13 ILE A 369 -0.151 -6.285 6.325 1.00 50.54 H new ATOM 216 N GLY A 370 -1.780 -12.005 7.170 1.00 42.35 N ATOM 217 CA GLY A 370 -2.947 -12.857 6.987 1.00 71.20 C ATOM 218 C GLY A 370 -2.681 -14.053 6.074 1.00 24.11 C ATOM 219 O GLY A 370 -3.616 -14.691 5.587 1.00 22.34 O ATOM 0 H GLY A 370 -1.437 -11.943 8.128 1.00 42.35 H new ATOM 0 HA2 GLY A 370 -3.282 -13.218 7.960 1.00 71.20 H new ATOM 0 HA3 GLY A 370 -3.761 -12.263 6.570 1.00 71.20 H new ATOM 223 N GLY A 371 -1.409 -14.333 5.817 1.00 75.44 N ATOM 224 CA GLY A 371 -1.059 -15.444 4.996 1.00 32.53 C ATOM 225 C GLY A 371 -0.735 -15.063 3.573 1.00 22.11 C ATOM 226 O GLY A 371 -0.270 -15.897 2.792 1.00 33.25 O ATOM 0 H GLY A 371 -0.617 -13.797 6.173 1.00 75.44 H new ATOM 0 HA2 GLY A 371 -0.199 -15.951 5.433 1.00 32.53 H new ATOM 0 HA3 GLY A 371 -1.883 -16.158 4.994 1.00 32.53 H new ATOM 230 N TYR A 372 -0.999 -13.836 3.212 1.00 14.53 N ATOM 231 CA TYR A 372 -0.707 -13.371 1.893 1.00 14.25 C ATOM 232 C TYR A 372 0.421 -12.355 1.923 1.00 63.11 C ATOM 233 O TYR A 372 0.548 -11.589 2.870 1.00 43.34 O ATOM 234 CB TYR A 372 -1.981 -12.837 1.204 1.00 45.50 C ATOM 235 CG TYR A 372 -2.790 -11.862 2.031 1.00 23.10 C ATOM 236 CD1 TYR A 372 -2.346 -10.585 2.265 1.00 21.33 C ATOM 237 CD2 TYR A 372 -4.019 -12.236 2.573 1.00 41.41 C ATOM 238 CE1 TYR A 372 -3.081 -9.705 3.008 1.00 12.23 C ATOM 239 CE2 TYR A 372 -4.763 -11.352 3.322 1.00 1.31 C ATOM 240 CZ TYR A 372 -4.285 -10.084 3.534 1.00 13.20 C ATOM 241 OH TYR A 372 -5.017 -9.187 4.272 1.00 70.02 O ATOM 0 H TYR A 372 -1.420 -13.138 3.824 1.00 14.53 H new ATOM 0 HA TYR A 372 -0.358 -14.209 1.289 1.00 14.25 H new ATOM 0 HB2 TYR A 372 -1.696 -12.351 0.271 1.00 45.50 H new ATOM 0 HB3 TYR A 372 -2.616 -13.683 0.941 1.00 45.50 H new ATOM 0 HD1 TYR A 372 -1.398 -10.270 1.854 1.00 21.33 H new ATOM 0 HD2 TYR A 372 -4.393 -13.235 2.403 1.00 41.41 H new ATOM 0 HE1 TYR A 372 -2.709 -8.706 3.181 1.00 12.23 H new ATOM 0 HE2 TYR A 372 -5.713 -11.654 3.738 1.00 1.31 H new ATOM 0 HH TYR A 372 -5.847 -9.612 4.573 1.00 70.02 H new ATOM 251 N THR A 373 1.251 -12.378 0.922 1.00 54.24 N ATOM 252 CA THR A 373 2.373 -11.478 0.856 1.00 33.44 C ATOM 253 C THR A 373 1.929 -10.123 0.317 1.00 53.20 C ATOM 254 O THR A 373 1.391 -10.043 -0.783 1.00 3.23 O ATOM 255 CB THR A 373 3.468 -12.046 -0.081 1.00 42.04 C ATOM 256 OG1 THR A 373 3.828 -13.376 0.328 1.00 43.41 O ATOM 257 CG2 THR A 373 4.715 -11.163 -0.061 1.00 4.23 C ATOM 0 H THR A 373 1.173 -13.016 0.130 1.00 54.24 H new ATOM 0 HA THR A 373 2.774 -11.365 1.863 1.00 33.44 H new ATOM 0 HB THR A 373 3.065 -12.067 -1.093 1.00 42.04 H new ATOM 0 HG1 THR A 373 4.519 -13.727 -0.271 1.00 43.41 H new ATOM 0 HG21 THR A 373 5.469 -11.583 -0.727 1.00 4.23 H new ATOM 0 HG22 THR A 373 4.455 -10.159 -0.395 1.00 4.23 H new ATOM 0 HG23 THR A 373 5.112 -11.117 0.953 1.00 4.23 H new ATOM 263 N TYR A 374 2.115 -9.080 1.087 1.00 14.25 N ATOM 264 CA TYR A 374 1.849 -7.768 0.594 1.00 22.03 C ATOM 265 C TYR A 374 3.095 -7.204 -0.003 1.00 20.30 C ATOM 266 O TYR A 374 4.170 -7.342 0.569 1.00 10.54 O ATOM 267 CB TYR A 374 1.304 -6.847 1.663 1.00 23.15 C ATOM 268 CG TYR A 374 -0.132 -6.502 1.426 1.00 33.22 C ATOM 269 CD1 TYR A 374 -0.479 -5.610 0.423 1.00 72.12 C ATOM 270 CD2 TYR A 374 -1.140 -7.057 2.177 1.00 61.52 C ATOM 271 CE1 TYR A 374 -1.772 -5.285 0.180 1.00 21.34 C ATOM 272 CE2 TYR A 374 -2.463 -6.723 1.929 1.00 23.34 C ATOM 273 CZ TYR A 374 -2.768 -5.844 0.939 1.00 71.54 C ATOM 274 OH TYR A 374 -4.086 -5.525 0.703 1.00 1.40 O ATOM 0 H TYR A 374 2.448 -9.121 2.050 1.00 14.25 H new ATOM 0 HA TYR A 374 1.075 -7.847 -0.170 1.00 22.03 H new ATOM 0 HB2 TYR A 374 1.406 -7.323 2.638 1.00 23.15 H new ATOM 0 HB3 TYR A 374 1.897 -5.933 1.691 1.00 23.15 H new ATOM 0 HD1 TYR A 374 0.299 -5.164 -0.179 1.00 72.12 H new ATOM 0 HD2 TYR A 374 -0.901 -7.757 2.964 1.00 61.52 H new ATOM 0 HE1 TYR A 374 -2.017 -4.589 -0.608 1.00 21.34 H new ATOM 0 HE2 TYR A 374 -3.251 -7.162 2.523 1.00 23.34 H new ATOM 0 HH TYR A 374 -4.252 -4.598 0.976 1.00 1.40 H new ATOM 284 N LYS A 375 2.961 -6.594 -1.143 1.00 40.34 N ATOM 285 CA LYS A 375 4.092 -6.052 -1.863 1.00 42.33 C ATOM 286 C LYS A 375 3.796 -4.642 -2.298 1.00 5.41 C ATOM 287 O LYS A 375 2.779 -4.396 -2.918 1.00 72.11 O ATOM 288 CB LYS A 375 4.386 -6.904 -3.102 1.00 43.13 C ATOM 289 CG LYS A 375 5.544 -6.401 -3.931 1.00 30.11 C ATOM 290 CD LYS A 375 5.729 -7.249 -5.163 1.00 64.42 C ATOM 291 CE LYS A 375 6.782 -6.661 -6.053 1.00 45.34 C ATOM 292 NZ LYS A 375 7.029 -7.488 -7.255 1.00 41.22 N ATOM 0 H LYS A 375 2.064 -6.454 -1.608 1.00 40.34 H new ATOM 0 HA LYS A 375 4.959 -6.059 -1.202 1.00 42.33 H new ATOM 0 HB2 LYS A 375 4.595 -7.926 -2.786 1.00 43.13 H new ATOM 0 HB3 LYS A 375 3.493 -6.939 -3.727 1.00 43.13 H new ATOM 0 HG2 LYS A 375 5.367 -5.365 -4.220 1.00 30.11 H new ATOM 0 HG3 LYS A 375 6.456 -6.414 -3.335 1.00 30.11 H new ATOM 0 HD2 LYS A 375 6.012 -8.262 -4.875 1.00 64.42 H new ATOM 0 HD3 LYS A 375 4.786 -7.323 -5.705 1.00 64.42 H new ATOM 0 HE2 LYS A 375 6.478 -5.660 -6.360 1.00 45.34 H new ATOM 0 HE3 LYS A 375 7.710 -6.554 -5.492 1.00 45.34 H new ATOM 0 HZ1 LYS A 375 7.764 -7.041 -7.839 1.00 41.22 H new ATOM 0 HZ2 LYS A 375 7.345 -8.435 -6.965 1.00 41.22 H new ATOM 0 HZ3 LYS A 375 6.151 -7.570 -7.807 1.00 41.22 H new ATOM 306 N VAL A 376 4.666 -3.735 -1.979 1.00 31.42 N ATOM 307 CA VAL A 376 4.506 -2.365 -2.384 1.00 5.23 C ATOM 308 C VAL A 376 5.765 -1.866 -3.099 1.00 11.54 C ATOM 309 O VAL A 376 6.876 -1.932 -2.552 1.00 12.22 O ATOM 310 CB VAL A 376 4.138 -1.438 -1.165 1.00 60.22 C ATOM 311 CG1 VAL A 376 5.178 -1.514 -0.076 1.00 45.01 C ATOM 312 CG2 VAL A 376 3.943 0.008 -1.595 1.00 20.25 C ATOM 0 H VAL A 376 5.507 -3.918 -1.432 1.00 31.42 H new ATOM 0 HA VAL A 376 3.673 -2.319 -3.085 1.00 5.23 H new ATOM 0 HB VAL A 376 3.193 -1.808 -0.768 1.00 60.22 H new ATOM 0 HG11 VAL A 376 4.890 -0.861 0.748 1.00 45.01 H new ATOM 0 HG12 VAL A 376 5.254 -2.540 0.283 1.00 45.01 H new ATOM 0 HG13 VAL A 376 6.143 -1.195 -0.471 1.00 45.01 H new ATOM 0 HG21 VAL A 376 3.690 0.615 -0.726 1.00 20.25 H new ATOM 0 HG22 VAL A 376 4.864 0.382 -2.043 1.00 20.25 H new ATOM 0 HG23 VAL A 376 3.135 0.065 -2.324 1.00 20.25 H new ATOM 318 N VAL A 377 5.604 -1.445 -4.340 1.00 11.03 N ATOM 319 CA VAL A 377 6.687 -0.825 -5.065 1.00 33.33 C ATOM 320 C VAL A 377 6.275 0.608 -5.328 1.00 61.33 C ATOM 321 O VAL A 377 5.289 0.867 -6.042 1.00 73.45 O ATOM 322 CB VAL A 377 7.011 -1.549 -6.396 1.00 64.13 C ATOM 323 CG1 VAL A 377 8.209 -0.899 -7.086 1.00 63.21 C ATOM 324 CG2 VAL A 377 7.286 -3.023 -6.144 1.00 1.53 C ATOM 0 H VAL A 377 4.732 -1.523 -4.863 1.00 11.03 H new ATOM 0 HA VAL A 377 7.599 -0.881 -4.470 1.00 33.33 H new ATOM 0 HB VAL A 377 6.145 -1.461 -7.052 1.00 64.13 H new ATOM 0 HG11 VAL A 377 8.420 -1.422 -8.019 1.00 63.21 H new ATOM 0 HG12 VAL A 377 7.983 0.146 -7.299 1.00 63.21 H new ATOM 0 HG13 VAL A 377 9.080 -0.956 -6.433 1.00 63.21 H new ATOM 0 HG21 VAL A 377 7.512 -3.518 -7.089 1.00 1.53 H new ATOM 0 HG22 VAL A 377 8.136 -3.124 -5.469 1.00 1.53 H new ATOM 0 HG23 VAL A 377 6.408 -3.485 -5.693 1.00 1.53 H new ATOM 330 N PHE A 378 7.025 1.520 -4.770 1.00 14.25 N ATOM 331 CA PHE A 378 6.678 2.929 -4.756 1.00 50.04 C ATOM 332 C PHE A 378 6.652 3.589 -6.118 1.00 42.12 C ATOM 333 O PHE A 378 7.610 3.501 -6.895 1.00 4.53 O ATOM 334 CB PHE A 378 7.516 3.689 -3.744 1.00 12.22 C ATOM 335 CG PHE A 378 7.191 3.318 -2.319 1.00 12.25 C ATOM 336 CD1 PHE A 378 7.541 2.078 -1.801 1.00 14.51 C ATOM 337 CD2 PHE A 378 6.531 4.210 -1.499 1.00 55.42 C ATOM 338 CE1 PHE A 378 7.235 1.743 -0.500 1.00 4.11 C ATOM 339 CE2 PHE A 378 6.227 3.878 -0.195 1.00 4.33 C ATOM 340 CZ PHE A 378 6.578 2.648 0.303 1.00 51.35 C ATOM 0 H PHE A 378 7.908 1.310 -4.304 1.00 14.25 H new ATOM 0 HA PHE A 378 5.639 2.975 -4.430 1.00 50.04 H new ATOM 0 HB2 PHE A 378 8.572 3.494 -3.934 1.00 12.22 H new ATOM 0 HB3 PHE A 378 7.360 4.759 -3.881 1.00 12.22 H new ATOM 0 HD1 PHE A 378 8.060 1.367 -2.426 1.00 14.51 H new ATOM 0 HD2 PHE A 378 6.249 5.179 -1.882 1.00 55.42 H new ATOM 0 HE1 PHE A 378 7.510 0.774 -0.111 1.00 4.11 H new ATOM 0 HE2 PHE A 378 5.712 4.587 0.435 1.00 4.33 H new ATOM 0 HZ PHE A 378 6.339 2.390 1.324 1.00 51.35 H new ATOM 350 N TYR A 379 5.517 4.262 -6.374 1.00 44.03 N ATOM 351 CA TYR A 379 5.195 4.935 -7.637 1.00 51.30 C ATOM 352 C TYR A 379 4.977 3.958 -8.767 1.00 33.12 C ATOM 353 O TYR A 379 5.060 4.311 -9.941 1.00 14.32 O ATOM 354 CB TYR A 379 6.183 6.055 -7.984 1.00 61.24 C ATOM 355 CG TYR A 379 6.007 7.293 -7.121 1.00 23.41 C ATOM 356 CD1 TYR A 379 6.558 7.370 -5.855 1.00 2.21 C ATOM 357 CD2 TYR A 379 5.274 8.384 -7.585 1.00 5.24 C ATOM 358 CE1 TYR A 379 6.385 8.498 -5.068 1.00 54.22 C ATOM 359 CE2 TYR A 379 5.099 9.514 -6.807 1.00 42.21 C ATOM 360 CZ TYR A 379 5.657 9.566 -5.550 1.00 45.24 C ATOM 361 OH TYR A 379 5.481 10.686 -4.763 1.00 64.01 O ATOM 0 H TYR A 379 4.775 4.353 -5.680 1.00 44.03 H new ATOM 0 HA TYR A 379 4.238 5.434 -7.486 1.00 51.30 H new ATOM 0 HB2 TYR A 379 7.201 5.682 -7.870 1.00 61.24 H new ATOM 0 HB3 TYR A 379 6.059 6.329 -9.032 1.00 61.24 H new ATOM 0 HD1 TYR A 379 7.132 6.538 -5.474 1.00 2.21 H new ATOM 0 HD2 TYR A 379 4.834 8.346 -8.571 1.00 5.24 H new ATOM 0 HE1 TYR A 379 6.819 8.541 -4.080 1.00 54.22 H new ATOM 0 HE2 TYR A 379 4.528 10.350 -7.183 1.00 42.21 H new ATOM 0 HH TYR A 379 4.946 11.347 -5.250 1.00 64.01 H new ATOM 371 N GLU A 380 4.649 2.730 -8.401 1.00 12.53 N ATOM 372 CA GLU A 380 4.359 1.706 -9.366 1.00 34.22 C ATOM 373 C GLU A 380 3.081 0.936 -9.055 1.00 42.50 C ATOM 374 O GLU A 380 2.017 1.241 -9.608 1.00 52.24 O ATOM 375 CB GLU A 380 5.552 0.772 -9.578 1.00 73.15 C ATOM 376 CG GLU A 380 6.682 1.434 -10.333 1.00 2.32 C ATOM 377 CD GLU A 380 7.902 0.582 -10.494 1.00 71.22 C ATOM 378 OE1 GLU A 380 7.858 -0.382 -11.289 1.00 0.25 O ATOM 379 OE2 GLU A 380 8.919 0.868 -9.844 1.00 73.30 O ATOM 0 H GLU A 380 4.579 2.425 -7.430 1.00 12.53 H new ATOM 0 HA GLU A 380 4.176 2.221 -10.309 1.00 34.22 H new ATOM 0 HB2 GLU A 380 5.918 0.431 -8.610 1.00 73.15 H new ATOM 0 HB3 GLU A 380 5.224 -0.112 -10.124 1.00 73.15 H new ATOM 0 HG2 GLU A 380 6.323 1.723 -11.321 1.00 2.32 H new ATOM 0 HG3 GLU A 380 6.960 2.351 -9.815 1.00 2.32 H new ATOM 386 N ASN A 381 3.161 -0.010 -8.139 1.00 23.32 N ATOM 387 CA ASN A 381 2.038 -0.917 -7.883 1.00 33.31 C ATOM 388 C ASN A 381 2.174 -1.698 -6.578 1.00 5.22 C ATOM 389 O ASN A 381 3.288 -1.912 -6.080 1.00 54.43 O ATOM 390 CB ASN A 381 1.832 -1.877 -9.086 1.00 61.31 C ATOM 391 CG ASN A 381 3.132 -2.530 -9.611 1.00 54.31 C ATOM 392 OD1 ASN A 381 4.100 -2.760 -8.757 1.00 54.30 O flip ATOM 393 ND2 ASN A 381 3.239 -2.837 -10.795 1.00 22.53 N flip ATOM 0 H ASN A 381 3.983 -0.177 -7.558 1.00 23.32 H new ATOM 0 HA ASN A 381 1.153 -0.291 -7.767 1.00 33.31 H new ATOM 0 HB2 ASN A 381 1.137 -2.664 -8.793 1.00 61.31 H new ATOM 0 HB3 ASN A 381 1.363 -1.325 -9.900 1.00 61.31 H new ATOM 0 HD21 ASN A 381 2.473 -2.649 -11.442 1.00 22.53 H new ATOM 0 HD22 ASN A 381 4.094 -3.280 -11.132 1.00 22.53 H new ATOM 399 N VAL A 382 1.030 -2.105 -6.039 1.00 42.43 N ATOM 400 CA VAL A 382 0.935 -2.899 -4.806 1.00 23.45 C ATOM 401 C VAL A 382 0.260 -4.225 -5.121 1.00 21.40 C ATOM 402 O VAL A 382 -0.619 -4.280 -5.982 1.00 41.40 O ATOM 403 CB VAL A 382 0.116 -2.148 -3.696 1.00 15.32 C ATOM 404 CG1 VAL A 382 -0.065 -2.992 -2.438 1.00 40.42 C ATOM 405 CG2 VAL A 382 0.802 -0.870 -3.334 1.00 64.42 C ATOM 0 H VAL A 382 0.121 -1.891 -6.450 1.00 42.43 H new ATOM 0 HA VAL A 382 1.943 -3.063 -4.426 1.00 23.45 H new ATOM 0 HB VAL A 382 -0.872 -1.946 -4.109 1.00 15.32 H new ATOM 0 HG11 VAL A 382 -0.637 -2.429 -1.701 1.00 40.42 H new ATOM 0 HG12 VAL A 382 -0.599 -3.909 -2.689 1.00 40.42 H new ATOM 0 HG13 VAL A 382 0.912 -3.243 -2.024 1.00 40.42 H new ATOM 0 HG21 VAL A 382 0.228 -0.355 -2.564 1.00 64.42 H new ATOM 0 HG22 VAL A 382 1.802 -1.088 -2.957 1.00 64.42 H new ATOM 0 HG23 VAL A 382 0.877 -0.235 -4.217 1.00 64.42 H new ATOM 411 N PHE A 383 0.674 -5.279 -4.448 1.00 12.54 N ATOM 412 CA PHE A 383 0.141 -6.606 -4.672 1.00 61.05 C ATOM 413 C PHE A 383 -0.177 -7.312 -3.374 1.00 22.10 C ATOM 414 O PHE A 383 0.501 -7.119 -2.366 1.00 72.32 O ATOM 415 CB PHE A 383 1.132 -7.465 -5.479 1.00 61.33 C ATOM 416 CG PHE A 383 1.379 -6.964 -6.861 1.00 34.52 C ATOM 417 CD1 PHE A 383 2.328 -6.000 -7.097 1.00 23.44 C ATOM 418 CD2 PHE A 383 0.648 -7.452 -7.922 1.00 42.14 C ATOM 419 CE1 PHE A 383 2.546 -5.525 -8.356 1.00 52.32 C ATOM 420 CE2 PHE A 383 0.864 -6.982 -9.194 1.00 13.10 C ATOM 421 CZ PHE A 383 1.816 -6.014 -9.411 1.00 62.53 C ATOM 0 H PHE A 383 1.394 -5.238 -3.726 1.00 12.54 H new ATOM 0 HA PHE A 383 -0.783 -6.481 -5.236 1.00 61.05 H new ATOM 0 HB2 PHE A 383 2.080 -7.508 -4.944 1.00 61.33 H new ATOM 0 HB3 PHE A 383 0.752 -8.485 -5.535 1.00 61.33 H new ATOM 0 HD1 PHE A 383 2.910 -5.613 -6.274 1.00 23.44 H new ATOM 0 HD2 PHE A 383 -0.101 -8.211 -7.752 1.00 42.14 H new ATOM 0 HE1 PHE A 383 3.293 -4.764 -8.524 1.00 52.32 H new ATOM 0 HE2 PHE A 383 0.288 -7.371 -10.021 1.00 13.10 H new ATOM 0 HZ PHE A 383 1.989 -5.639 -10.409 1.00 62.53 H new ATOM 431 N GLN A 384 -1.218 -8.103 -3.407 1.00 23.41 N ATOM 432 CA GLN A 384 -1.582 -8.977 -2.328 1.00 55.31 C ATOM 433 C GLN A 384 -1.477 -10.380 -2.863 1.00 24.34 C ATOM 434 O GLN A 384 -2.287 -10.778 -3.710 1.00 30.11 O ATOM 435 CB GLN A 384 -3.011 -8.733 -1.882 1.00 23.22 C ATOM 436 CG GLN A 384 -3.456 -9.624 -0.737 1.00 54.45 C ATOM 437 CD GLN A 384 -4.943 -9.545 -0.493 1.00 12.43 C ATOM 438 OE1 GLN A 384 -5.717 -10.291 -1.080 1.00 4.34 O ATOM 439 NE2 GLN A 384 -5.349 -8.653 0.354 1.00 61.34 N ATOM 0 H GLN A 384 -1.850 -8.157 -4.206 1.00 23.41 H new ATOM 0 HA GLN A 384 -0.930 -8.806 -1.471 1.00 55.31 H new ATOM 0 HB2 GLN A 384 -3.115 -7.691 -1.580 1.00 23.22 H new ATOM 0 HB3 GLN A 384 -3.678 -8.887 -2.730 1.00 23.22 H new ATOM 0 HG2 GLN A 384 -3.180 -10.656 -0.955 1.00 54.45 H new ATOM 0 HG3 GLN A 384 -2.926 -9.337 0.171 1.00 54.45 H new ATOM 0 HE21 GLN A 384 -4.673 -8.050 0.823 1.00 61.34 H new ATOM 0 HE22 GLN A 384 -6.345 -8.554 0.552 1.00 61.34 H new ATOM 447 N ASP A 385 -0.471 -11.097 -2.415 1.00 14.41 N ATOM 448 CA ASP A 385 -0.167 -12.472 -2.858 1.00 31.14 C ATOM 449 C ASP A 385 0.372 -12.451 -4.265 1.00 75.32 C ATOM 450 O ASP A 385 1.573 -12.525 -4.478 1.00 11.42 O ATOM 451 CB ASP A 385 -1.386 -13.412 -2.784 1.00 25.21 C ATOM 452 CG ASP A 385 -1.036 -14.846 -3.146 1.00 72.10 C ATOM 453 OD1 ASP A 385 -1.071 -15.194 -4.345 1.00 63.11 O ATOM 454 OD2 ASP A 385 -0.717 -15.637 -2.238 1.00 74.55 O ATOM 0 H ASP A 385 0.184 -10.747 -1.716 1.00 14.41 H new ATOM 0 HA ASP A 385 0.583 -12.865 -2.171 1.00 31.14 H new ATOM 0 HB2 ASP A 385 -1.801 -13.386 -1.776 1.00 25.21 H new ATOM 0 HB3 ASP A 385 -2.162 -13.049 -3.458 1.00 25.21 H new ATOM 459 N SER A 386 -0.526 -12.337 -5.204 1.00 4.10 N ATOM 460 CA SER A 386 -0.208 -12.244 -6.603 1.00 35.14 C ATOM 461 C SER A 386 -1.215 -11.305 -7.270 1.00 74.41 C ATOM 462 O SER A 386 -1.110 -10.988 -8.457 1.00 52.13 O ATOM 463 CB SER A 386 -0.309 -13.629 -7.243 1.00 70.31 C ATOM 464 OG SER A 386 0.497 -14.586 -6.547 1.00 62.23 O ATOM 0 H SER A 386 -1.527 -12.305 -5.012 1.00 4.10 H new ATOM 0 HA SER A 386 0.805 -11.862 -6.730 1.00 35.14 H new ATOM 0 HB2 SER A 386 -1.348 -13.957 -7.242 1.00 70.31 H new ATOM 0 HB3 SER A 386 0.007 -13.574 -8.285 1.00 70.31 H new ATOM 0 HG SER A 386 0.025 -14.887 -5.742 1.00 62.23 H new ATOM 470 N ILE A 387 -2.183 -10.856 -6.483 1.00 2.42 N ATOM 471 CA ILE A 387 -3.244 -10.011 -6.983 1.00 20.35 C ATOM 472 C ILE A 387 -2.779 -8.569 -6.994 1.00 73.53 C ATOM 473 O ILE A 387 -2.173 -8.107 -6.022 1.00 15.42 O ATOM 474 CB ILE A 387 -4.505 -10.118 -6.070 1.00 24.40 C ATOM 475 CG1 ILE A 387 -4.981 -11.573 -5.953 1.00 71.31 C ATOM 476 CG2 ILE A 387 -5.640 -9.218 -6.557 1.00 10.41 C ATOM 477 CD1 ILE A 387 -5.350 -12.225 -7.271 1.00 11.14 C ATOM 0 H ILE A 387 -2.250 -11.069 -5.488 1.00 2.42 H new ATOM 0 HA ILE A 387 -3.498 -10.337 -7.992 1.00 20.35 H new ATOM 0 HB ILE A 387 -4.212 -9.771 -5.079 1.00 24.40 H new ATOM 0 HG12 ILE A 387 -4.195 -12.161 -5.479 1.00 71.31 H new ATOM 0 HG13 ILE A 387 -5.847 -11.606 -5.292 1.00 71.31 H new ATOM 0 HG21 ILE A 387 -6.498 -9.323 -5.893 1.00 10.41 H new ATOM 0 HG22 ILE A 387 -5.307 -8.180 -6.558 1.00 10.41 H new ATOM 0 HG23 ILE A 387 -5.926 -9.508 -7.568 1.00 10.41 H new ATOM 0 HD11 ILE A 387 -5.674 -13.250 -7.092 1.00 11.14 H new ATOM 0 HD12 ILE A 387 -6.159 -11.665 -7.740 1.00 11.14 H new ATOM 0 HD13 ILE A 387 -4.482 -12.229 -7.930 1.00 11.14 H new ATOM 484 N LEU A 388 -3.076 -7.856 -8.059 1.00 73.11 N ATOM 485 CA LEU A 388 -2.730 -6.465 -8.146 1.00 20.12 C ATOM 486 C LEU A 388 -3.701 -5.696 -7.295 1.00 32.24 C ATOM 487 O LEU A 388 -4.887 -5.629 -7.586 1.00 33.13 O ATOM 488 CB LEU A 388 -2.792 -5.986 -9.603 1.00 23.40 C ATOM 489 CG LEU A 388 -2.517 -4.496 -9.857 1.00 21.34 C ATOM 490 CD1 LEU A 388 -1.122 -4.090 -9.409 1.00 54.34 C ATOM 491 CD2 LEU A 388 -2.733 -4.156 -11.318 1.00 65.10 C ATOM 0 H LEU A 388 -3.559 -8.225 -8.878 1.00 73.11 H new ATOM 0 HA LEU A 388 -1.711 -6.306 -7.792 1.00 20.12 H new ATOM 0 HB2 LEU A 388 -2.074 -6.567 -10.182 1.00 23.40 H new ATOM 0 HB3 LEU A 388 -3.782 -6.220 -9.995 1.00 23.40 H new ATOM 0 HG LEU A 388 -3.227 -3.926 -9.257 1.00 21.34 H new ATOM 0 HD11 LEU A 388 -0.971 -3.029 -9.607 1.00 54.34 H new ATOM 0 HD12 LEU A 388 -1.014 -4.279 -8.341 1.00 54.34 H new ATOM 0 HD13 LEU A 388 -0.380 -4.671 -9.957 1.00 54.34 H new ATOM 0 HD21 LEU A 388 -2.533 -3.096 -11.478 1.00 65.10 H new ATOM 0 HD22 LEU A 388 -2.057 -4.750 -11.934 1.00 65.10 H new ATOM 0 HD23 LEU A 388 -3.764 -4.377 -11.594 1.00 65.10 H new ATOM 499 N LEU A 389 -3.211 -5.170 -6.224 1.00 72.15 N ATOM 500 CA LEU A 389 -3.996 -4.497 -5.302 1.00 64.15 C ATOM 501 C LEU A 389 -4.380 -3.160 -5.884 1.00 24.44 C ATOM 502 O LEU A 389 -5.538 -2.911 -6.133 1.00 21.24 O ATOM 503 CB LEU A 389 -3.161 -4.338 -4.069 1.00 44.23 C ATOM 504 CG LEU A 389 -3.854 -4.132 -2.760 1.00 21.32 C ATOM 505 CD1 LEU A 389 -4.730 -2.900 -2.720 1.00 1.11 C ATOM 506 CD2 LEU A 389 -4.596 -5.373 -2.338 1.00 2.12 C ATOM 0 H LEU A 389 -2.222 -5.209 -5.978 1.00 72.15 H new ATOM 0 HA LEU A 389 -4.914 -5.032 -5.061 1.00 64.15 H new ATOM 0 HB2 LEU A 389 -2.534 -5.225 -3.976 1.00 44.23 H new ATOM 0 HB3 LEU A 389 -2.493 -3.491 -4.228 1.00 44.23 H new ATOM 0 HG LEU A 389 -3.070 -3.943 -2.027 1.00 21.32 H new ATOM 0 HD11 LEU A 389 -5.199 -2.818 -1.739 1.00 1.11 H new ATOM 0 HD12 LEU A 389 -4.122 -2.015 -2.906 1.00 1.11 H new ATOM 0 HD13 LEU A 389 -5.502 -2.977 -3.486 1.00 1.11 H new ATOM 0 HD21 LEU A 389 -5.090 -5.194 -1.383 1.00 2.12 H new ATOM 0 HD22 LEU A 389 -5.342 -5.625 -3.091 1.00 2.12 H new ATOM 0 HD23 LEU A 389 -3.893 -6.199 -2.234 1.00 2.12 H new ATOM 514 N GLY A 390 -3.412 -2.328 -6.134 1.00 13.45 N ATOM 515 CA GLY A 390 -3.723 -1.044 -6.647 1.00 62.21 C ATOM 516 C GLY A 390 -2.552 -0.423 -7.309 1.00 51.14 C ATOM 517 O GLY A 390 -1.398 -0.815 -7.050 1.00 75.21 O ATOM 0 H GLY A 390 -2.420 -2.518 -5.991 1.00 13.45 H new ATOM 0 HA2 GLY A 390 -4.544 -1.125 -7.360 1.00 62.21 H new ATOM 0 HA3 GLY A 390 -4.067 -0.401 -5.837 1.00 62.21 H new ATOM 521 N ASN A 391 -2.819 0.518 -8.161 1.00 21.52 N ATOM 522 CA ASN A 391 -1.789 1.243 -8.845 1.00 60.01 C ATOM 523 C ASN A 391 -1.716 2.606 -8.258 1.00 73.32 C ATOM 524 O ASN A 391 -2.745 3.187 -7.910 1.00 70.52 O ATOM 525 CB ASN A 391 -2.064 1.335 -10.345 1.00 42.30 C ATOM 526 CG ASN A 391 -2.022 -0.007 -11.046 1.00 54.30 C ATOM 527 OD1 ASN A 391 -3.155 -0.651 -11.152 1.00 22.22 O flip ATOM 528 ND2 ASN A 391 -0.973 -0.449 -11.498 1.00 33.03 N flip ATOM 0 H ASN A 391 -3.766 0.808 -8.405 1.00 21.52 H new ATOM 0 HA ASN A 391 -0.842 0.717 -8.723 1.00 60.01 H new ATOM 0 HB2 ASN A 391 -3.043 1.788 -10.501 1.00 42.30 H new ATOM 0 HB3 ASN A 391 -1.330 1.999 -10.802 1.00 42.30 H new ATOM 0 HD21 ASN A 391 -0.109 0.083 -11.395 1.00 33.03 H new ATOM 0 HD22 ASN A 391 -0.963 -1.349 -11.977 1.00 33.03 H new ATOM 534 N PHE A 392 -0.536 3.114 -8.136 1.00 54.52 N ATOM 535 CA PHE A 392 -0.323 4.406 -7.511 1.00 44.01 C ATOM 536 C PHE A 392 -0.944 5.510 -8.346 1.00 33.32 C ATOM 537 O PHE A 392 -0.535 5.749 -9.485 1.00 14.34 O ATOM 538 CB PHE A 392 1.174 4.645 -7.298 1.00 64.34 C ATOM 539 CG PHE A 392 1.835 3.756 -6.258 1.00 63.33 C ATOM 540 CD1 PHE A 392 1.669 2.381 -6.265 1.00 23.43 C ATOM 541 CD2 PHE A 392 2.629 4.312 -5.280 1.00 54.22 C ATOM 542 CE1 PHE A 392 2.283 1.593 -5.327 1.00 3.21 C ATOM 543 CE2 PHE A 392 3.257 3.524 -4.340 1.00 52.32 C ATOM 544 CZ PHE A 392 3.082 2.163 -4.365 1.00 75.23 C ATOM 0 H PHE A 392 0.316 2.658 -8.461 1.00 54.52 H new ATOM 0 HA PHE A 392 -0.811 4.414 -6.536 1.00 44.01 H new ATOM 0 HB2 PHE A 392 1.686 4.504 -8.250 1.00 64.34 H new ATOM 0 HB3 PHE A 392 1.321 5.685 -7.008 1.00 64.34 H new ATOM 0 HD1 PHE A 392 1.047 1.924 -7.020 1.00 23.43 H new ATOM 0 HD2 PHE A 392 2.762 5.383 -5.249 1.00 54.22 H new ATOM 0 HE1 PHE A 392 2.139 0.523 -5.344 1.00 3.21 H new ATOM 0 HE2 PHE A 392 3.885 3.976 -3.586 1.00 52.32 H new ATOM 0 HZ PHE A 392 3.571 1.541 -3.630 1.00 75.23 H new ATOM 554 N ALA A 393 -1.930 6.172 -7.786 1.00 3.12 N ATOM 555 CA ALA A 393 -2.642 7.193 -8.511 1.00 64.25 C ATOM 556 C ALA A 393 -2.254 8.575 -8.036 1.00 73.53 C ATOM 557 O ALA A 393 -1.940 9.458 -8.840 1.00 61.24 O ATOM 558 CB ALA A 393 -4.145 6.979 -8.378 1.00 53.41 C ATOM 0 H ALA A 393 -2.255 6.020 -6.831 1.00 3.12 H new ATOM 0 HA ALA A 393 -2.368 7.118 -9.563 1.00 64.25 H new ATOM 0 HB1 ALA A 393 -4.673 7.756 -8.930 1.00 53.41 H new ATOM 0 HB2 ALA A 393 -4.411 6.002 -8.783 1.00 53.41 H new ATOM 0 HB3 ALA A 393 -4.427 7.025 -7.326 1.00 53.41 H new ATOM 564 N SER A 394 -2.256 8.773 -6.745 1.00 31.13 N ATOM 565 CA SER A 394 -1.883 10.043 -6.172 1.00 70.55 C ATOM 566 C SER A 394 -1.391 9.839 -4.765 1.00 31.34 C ATOM 567 O SER A 394 -1.925 9.017 -4.028 1.00 50.21 O ATOM 568 CB SER A 394 -3.078 11.004 -6.165 1.00 14.11 C ATOM 569 OG SER A 394 -3.555 11.253 -7.487 1.00 44.01 O ATOM 0 H SER A 394 -2.515 8.062 -6.061 1.00 31.13 H new ATOM 0 HA SER A 394 -1.089 10.478 -6.778 1.00 70.55 H new ATOM 0 HB2 SER A 394 -3.881 10.583 -5.560 1.00 14.11 H new ATOM 0 HB3 SER A 394 -2.787 11.945 -5.698 1.00 14.11 H new ATOM 0 HG SER A 394 -2.981 10.793 -8.134 1.00 44.01 H new ATOM 575 N GLN A 395 -0.363 10.546 -4.403 1.00 50.44 N ATOM 576 CA GLN A 395 0.173 10.472 -3.082 1.00 50.21 C ATOM 577 C GLN A 395 0.416 11.877 -2.622 1.00 43.22 C ATOM 578 O GLN A 395 0.908 12.698 -3.392 1.00 0.25 O ATOM 579 CB GLN A 395 1.497 9.766 -3.139 1.00 1.24 C ATOM 580 CG GLN A 395 1.464 8.499 -3.965 1.00 75.10 C ATOM 581 CD GLN A 395 2.812 7.929 -4.208 1.00 44.12 C ATOM 582 OE1 GLN A 395 3.713 8.040 -3.395 1.00 73.43 O ATOM 583 NE2 GLN A 395 2.983 7.374 -5.358 1.00 53.03 N ATOM 0 H GLN A 395 0.128 11.193 -5.020 1.00 50.44 H new ATOM 0 HA GLN A 395 -0.507 9.943 -2.414 1.00 50.21 H new ATOM 0 HB2 GLN A 395 2.244 10.443 -3.554 1.00 1.24 H new ATOM 0 HB3 GLN A 395 1.815 9.523 -2.125 1.00 1.24 H new ATOM 0 HG2 GLN A 395 0.848 7.757 -3.457 1.00 75.10 H new ATOM 0 HG3 GLN A 395 0.986 8.708 -4.922 1.00 75.10 H new ATOM 0 HE21 GLN A 395 2.202 7.301 -6.010 1.00 53.03 H new ATOM 0 HE22 GLN A 395 3.899 7.008 -5.616 1.00 53.03 H new ATOM 591 N GLU A 396 0.066 12.172 -1.417 1.00 1.12 N ATOM 592 CA GLU A 396 0.305 13.482 -0.893 1.00 0.25 C ATOM 593 C GLU A 396 1.009 13.372 0.425 1.00 65.03 C ATOM 594 O GLU A 396 0.435 12.891 1.417 1.00 34.12 O ATOM 595 CB GLU A 396 -0.986 14.290 -0.786 1.00 14.52 C ATOM 596 CG GLU A 396 -0.774 15.707 -0.287 1.00 32.15 C ATOM 597 CD GLU A 396 -2.027 16.533 -0.334 1.00 44.41 C ATOM 598 OE1 GLU A 396 -2.273 17.182 -1.364 1.00 71.11 O ATOM 599 OE2 GLU A 396 -2.773 16.558 0.645 1.00 71.21 O ATOM 0 H GLU A 396 -0.388 11.526 -0.771 1.00 1.12 H new ATOM 0 HA GLU A 396 0.948 14.027 -1.584 1.00 0.25 H new ATOM 0 HB2 GLU A 396 -1.465 14.326 -1.764 1.00 14.52 H new ATOM 0 HB3 GLU A 396 -1.673 13.775 -0.114 1.00 14.52 H new ATOM 0 HG2 GLU A 396 -0.403 15.675 0.738 1.00 32.15 H new ATOM 0 HG3 GLU A 396 -0.004 16.188 -0.890 1.00 32.15 H new ATOM 606 N GLY A 397 2.251 13.777 0.434 1.00 40.41 N ATOM 607 CA GLY A 397 3.046 13.699 1.613 1.00 70.21 C ATOM 608 C GLY A 397 3.384 12.270 1.931 1.00 50.55 C ATOM 609 O GLY A 397 3.992 11.572 1.118 1.00 5.11 O ATOM 0 H GLY A 397 2.731 14.168 -0.377 1.00 40.41 H new ATOM 0 HA2 GLY A 397 3.962 14.274 1.478 1.00 70.21 H new ATOM 0 HA3 GLY A 397 2.509 14.146 2.450 1.00 70.21 H new ATOM 613 N ASN A 398 2.947 11.818 3.073 1.00 74.15 N ATOM 614 CA ASN A 398 3.234 10.469 3.516 1.00 4.11 C ATOM 615 C ASN A 398 1.976 9.604 3.423 1.00 44.12 C ATOM 616 O ASN A 398 1.870 8.550 4.059 1.00 40.52 O ATOM 617 CB ASN A 398 3.783 10.494 4.960 1.00 73.22 C ATOM 618 CG ASN A 398 2.774 10.959 6.003 1.00 60.43 C ATOM 619 OD1 ASN A 398 2.624 12.151 6.255 1.00 54.12 O ATOM 620 ND2 ASN A 398 2.140 10.024 6.651 1.00 3.12 N ATOM 0 H ASN A 398 2.384 12.365 3.725 1.00 74.15 H new ATOM 0 HA ASN A 398 3.994 10.033 2.867 1.00 4.11 H new ATOM 0 HB2 ASN A 398 4.127 9.494 5.224 1.00 73.22 H new ATOM 0 HB3 ASN A 398 4.653 11.149 4.995 1.00 73.22 H new ATOM 0 HD21 ASN A 398 1.491 10.271 7.398 1.00 3.12 H new ATOM 0 HD22 ASN A 398 2.292 9.044 6.411 1.00 3.12 H new ATOM 626 N VAL A 399 1.040 10.022 2.595 1.00 41.24 N ATOM 627 CA VAL A 399 -0.206 9.295 2.449 1.00 53.23 C ATOM 628 C VAL A 399 -0.377 8.963 0.989 1.00 5.11 C ATOM 629 O VAL A 399 -0.500 9.861 0.142 1.00 42.41 O ATOM 630 CB VAL A 399 -1.412 10.111 2.956 1.00 32.23 C ATOM 631 CG1 VAL A 399 -2.672 9.277 2.899 1.00 32.30 C ATOM 632 CG2 VAL A 399 -1.169 10.619 4.369 1.00 25.24 C ATOM 0 H VAL A 399 1.117 10.858 2.015 1.00 41.24 H new ATOM 0 HA VAL A 399 -0.165 8.388 3.052 1.00 53.23 H new ATOM 0 HB VAL A 399 -1.538 10.976 2.305 1.00 32.23 H new ATOM 0 HG11 VAL A 399 -3.515 9.866 3.260 1.00 32.30 H new ATOM 0 HG12 VAL A 399 -2.858 8.969 1.870 1.00 32.30 H new ATOM 0 HG13 VAL A 399 -2.552 8.393 3.526 1.00 32.30 H new ATOM 0 HG21 VAL A 399 -2.034 11.191 4.704 1.00 25.24 H new ATOM 0 HG22 VAL A 399 -1.013 9.773 5.038 1.00 25.24 H new ATOM 0 HG23 VAL A 399 -0.286 11.257 4.379 1.00 25.24 H new ATOM 638 N LEU A 400 -0.392 7.698 0.693 1.00 32.42 N ATOM 639 CA LEU A 400 -0.315 7.246 -0.663 1.00 3.22 C ATOM 640 C LEU A 400 -1.596 6.505 -1.067 1.00 72.44 C ATOM 641 O LEU A 400 -2.053 5.602 -0.361 1.00 21.31 O ATOM 642 CB LEU A 400 0.896 6.306 -0.780 1.00 21.11 C ATOM 643 CG LEU A 400 2.191 6.719 -0.007 1.00 50.13 C ATOM 644 CD1 LEU A 400 3.289 5.712 -0.216 1.00 54.22 C ATOM 645 CD2 LEU A 400 2.684 8.102 -0.377 1.00 34.34 C ATOM 0 H LEU A 400 -0.458 6.951 1.384 1.00 32.42 H new ATOM 0 HA LEU A 400 -0.204 8.101 -1.330 1.00 3.22 H new ATOM 0 HB2 LEU A 400 0.594 5.319 -0.431 1.00 21.11 H new ATOM 0 HB3 LEU A 400 1.148 6.208 -1.836 1.00 21.11 H new ATOM 0 HG LEU A 400 1.918 6.743 1.048 1.00 50.13 H new ATOM 0 HD11 LEU A 400 4.178 6.024 0.333 1.00 54.22 H new ATOM 0 HD12 LEU A 400 2.962 4.737 0.146 1.00 54.22 H new ATOM 0 HD13 LEU A 400 3.523 5.644 -1.278 1.00 54.22 H new ATOM 0 HD21 LEU A 400 3.585 8.331 0.192 1.00 34.34 H new ATOM 0 HD22 LEU A 400 2.910 8.135 -1.443 1.00 34.34 H new ATOM 0 HD23 LEU A 400 1.913 8.837 -0.147 1.00 34.34 H new ATOM 653 N LYS A 401 -2.166 6.894 -2.191 1.00 25.11 N ATOM 654 CA LYS A 401 -3.363 6.259 -2.722 1.00 62.24 C ATOM 655 C LYS A 401 -3.061 5.373 -3.896 1.00 50.42 C ATOM 656 O LYS A 401 -2.512 5.826 -4.919 1.00 61.14 O ATOM 657 CB LYS A 401 -4.424 7.277 -3.138 1.00 34.43 C ATOM 658 CG LYS A 401 -5.547 7.484 -2.148 1.00 64.44 C ATOM 659 CD LYS A 401 -6.257 6.167 -1.885 1.00 24.22 C ATOM 660 CE LYS A 401 -7.604 6.361 -1.205 1.00 42.14 C ATOM 661 NZ LYS A 401 -8.557 7.110 -2.073 1.00 72.32 N ATOM 0 H LYS A 401 -1.814 7.660 -2.765 1.00 25.11 H new ATOM 0 HA LYS A 401 -3.753 5.652 -1.905 1.00 62.24 H new ATOM 0 HB2 LYS A 401 -3.935 8.235 -3.313 1.00 34.43 H new ATOM 0 HB3 LYS A 401 -4.854 6.961 -4.088 1.00 34.43 H new ATOM 0 HG2 LYS A 401 -5.151 7.886 -1.215 1.00 64.44 H new ATOM 0 HG3 LYS A 401 -6.254 8.217 -2.536 1.00 64.44 H new ATOM 0 HD2 LYS A 401 -6.402 5.640 -2.828 1.00 24.22 H new ATOM 0 HD3 LYS A 401 -5.625 5.535 -1.261 1.00 24.22 H new ATOM 0 HE2 LYS A 401 -8.028 5.389 -0.953 1.00 42.14 H new ATOM 0 HE3 LYS A 401 -7.464 6.900 -0.268 1.00 42.14 H new ATOM 0 HZ1 LYS A 401 -9.526 6.978 -1.719 1.00 72.32 H new ATOM 0 HZ2 LYS A 401 -8.318 8.122 -2.059 1.00 72.32 H new ATOM 0 HZ3 LYS A 401 -8.493 6.753 -3.048 1.00 72.32 H new ATOM 675 N TYR A 402 -3.417 4.121 -3.769 1.00 43.42 N ATOM 676 CA TYR A 402 -3.253 3.183 -4.848 1.00 13.04 C ATOM 677 C TYR A 402 -4.631 2.733 -5.209 1.00 2.41 C ATOM 678 O TYR A 402 -5.324 2.173 -4.373 1.00 43.52 O ATOM 679 CB TYR A 402 -2.445 1.967 -4.405 1.00 12.31 C ATOM 680 CG TYR A 402 -1.355 2.271 -3.428 1.00 22.44 C ATOM 681 CD1 TYR A 402 -0.436 3.257 -3.669 1.00 72.11 C ATOM 682 CD2 TYR A 402 -1.262 1.570 -2.247 1.00 11.31 C ATOM 683 CE1 TYR A 402 0.546 3.535 -2.770 1.00 43.45 C ATOM 684 CE2 TYR A 402 -0.272 1.846 -1.350 1.00 11.33 C ATOM 685 CZ TYR A 402 0.627 2.828 -1.618 1.00 50.44 C ATOM 686 OH TYR A 402 1.626 3.096 -0.734 1.00 43.23 O ATOM 0 H TYR A 402 -3.825 3.726 -2.922 1.00 43.42 H new ATOM 0 HA TYR A 402 -2.725 3.648 -5.680 1.00 13.04 H new ATOM 0 HB2 TYR A 402 -3.123 1.239 -3.959 1.00 12.31 H new ATOM 0 HB3 TYR A 402 -2.006 1.497 -5.285 1.00 12.31 H new ATOM 0 HD1 TYR A 402 -0.492 3.823 -4.587 1.00 72.11 H new ATOM 0 HD2 TYR A 402 -1.980 0.794 -2.028 1.00 11.31 H new ATOM 0 HE1 TYR A 402 1.260 4.319 -2.975 1.00 43.45 H new ATOM 0 HE2 TYR A 402 -0.203 1.285 -0.430 1.00 11.33 H new ATOM 0 HH TYR A 402 2.071 2.261 -0.480 1.00 43.23 H new ATOM 696 N GLU A 403 -5.042 2.971 -6.415 1.00 4.35 N ATOM 697 CA GLU A 403 -6.391 2.671 -6.804 1.00 51.01 C ATOM 698 C GLU A 403 -6.383 1.997 -8.160 1.00 72.43 C ATOM 699 O GLU A 403 -5.315 1.866 -8.785 1.00 64.13 O ATOM 700 CB GLU A 403 -7.247 3.969 -6.849 1.00 21.43 C ATOM 701 CG GLU A 403 -7.212 4.795 -5.552 1.00 2.43 C ATOM 702 CD GLU A 403 -8.112 6.015 -5.576 1.00 0.14 C ATOM 703 OE1 GLU A 403 -7.977 6.859 -6.491 1.00 63.33 O ATOM 704 OE2 GLU A 403 -8.942 6.170 -4.647 1.00 3.12 O ATOM 0 H GLU A 403 -4.463 3.374 -7.152 1.00 4.35 H new ATOM 0 HA GLU A 403 -6.834 1.999 -6.070 1.00 51.01 H new ATOM 0 HB2 GLU A 403 -6.898 4.592 -7.672 1.00 21.43 H new ATOM 0 HB3 GLU A 403 -8.281 3.701 -7.068 1.00 21.43 H new ATOM 0 HG2 GLU A 403 -7.504 4.157 -4.718 1.00 2.43 H new ATOM 0 HG3 GLU A 403 -6.187 5.115 -5.364 1.00 2.43 H new ATOM 711 N ASN A 404 -7.551 1.548 -8.590 1.00 52.50 N ATOM 712 CA ASN A 404 -7.754 0.951 -9.918 1.00 31.34 C ATOM 713 C ASN A 404 -6.913 -0.310 -10.128 1.00 23.32 C ATOM 714 O ASN A 404 -6.426 -0.568 -11.227 1.00 62.02 O ATOM 715 CB ASN A 404 -7.495 1.981 -11.041 1.00 23.23 C ATOM 716 CG ASN A 404 -8.429 3.192 -10.991 1.00 53.25 C ATOM 717 OD1 ASN A 404 -9.627 3.015 -10.468 1.00 41.13 O flip ATOM 718 ND2 ASN A 404 -8.063 4.289 -11.415 1.00 61.25 N flip ATOM 0 H ASN A 404 -8.401 1.584 -8.027 1.00 52.50 H new ATOM 0 HA ASN A 404 -8.800 0.647 -9.966 1.00 31.34 H new ATOM 0 HB2 ASN A 404 -6.463 2.326 -10.975 1.00 23.23 H new ATOM 0 HB3 ASN A 404 -7.605 1.488 -12.007 1.00 23.23 H new ATOM 0 HD21 ASN A 404 -7.131 4.396 -11.814 1.00 61.25 H new ATOM 0 HD22 ASN A 404 -8.692 5.090 -11.367 1.00 61.25 H new ATOM 724 N GLY A 405 -6.773 -1.106 -9.076 1.00 72.03 N ATOM 725 CA GLY A 405 -6.065 -2.363 -9.177 1.00 1.43 C ATOM 726 C GLY A 405 -6.893 -3.453 -9.860 1.00 53.24 C ATOM 727 O GLY A 405 -7.655 -3.183 -10.797 1.00 52.10 O ATOM 0 H GLY A 405 -7.141 -0.899 -8.148 1.00 72.03 H new ATOM 0 HA2 GLY A 405 -5.141 -2.211 -9.735 1.00 1.43 H new ATOM 0 HA3 GLY A 405 -5.783 -2.698 -8.179 1.00 1.43 H new ATOM 731 N GLN A 406 -6.775 -4.665 -9.372 1.00 44.53 N ATOM 732 CA GLN A 406 -7.433 -5.809 -9.974 1.00 2.14 C ATOM 733 C GLN A 406 -8.951 -5.680 -9.735 1.00 34.13 C ATOM 734 O GLN A 406 -9.389 -5.262 -8.646 1.00 73.44 O ATOM 735 CB GLN A 406 -6.833 -7.096 -9.349 1.00 50.54 C ATOM 736 CG GLN A 406 -6.949 -8.407 -10.148 1.00 42.32 C ATOM 737 CD GLN A 406 -8.337 -8.937 -10.322 1.00 33.23 C ATOM 738 OE1 GLN A 406 -9.018 -8.630 -11.296 1.00 54.14 O ATOM 739 NE2 GLN A 406 -8.765 -9.733 -9.385 1.00 23.31 N ATOM 0 H GLN A 406 -6.221 -4.890 -8.546 1.00 44.53 H new ATOM 0 HA GLN A 406 -7.274 -5.856 -11.051 1.00 2.14 H new ATOM 0 HB2 GLN A 406 -5.776 -6.913 -9.158 1.00 50.54 H new ATOM 0 HB3 GLN A 406 -7.310 -7.251 -8.381 1.00 50.54 H new ATOM 0 HG2 GLN A 406 -6.513 -8.250 -11.135 1.00 42.32 H new ATOM 0 HG3 GLN A 406 -6.348 -9.169 -9.651 1.00 42.32 H new ATOM 0 HE21 GLN A 406 -8.163 -9.960 -8.594 1.00 23.31 H new ATOM 0 HE22 GLN A 406 -9.703 -10.130 -9.442 1.00 23.31 H new ATOM 747 N SER A 407 -9.715 -5.980 -10.759 1.00 70.15 N ATOM 748 CA SER A 407 -11.155 -5.860 -10.746 1.00 10.14 C ATOM 749 C SER A 407 -11.811 -6.815 -9.748 1.00 54.31 C ATOM 750 O SER A 407 -11.668 -8.030 -9.838 1.00 25.31 O ATOM 751 CB SER A 407 -11.692 -6.114 -12.152 1.00 24.30 C ATOM 752 OG SER A 407 -11.149 -5.180 -13.080 1.00 64.20 O ATOM 0 H SER A 407 -9.344 -6.322 -11.645 1.00 70.15 H new ATOM 0 HA SER A 407 -11.405 -4.849 -10.425 1.00 10.14 H new ATOM 0 HB2 SER A 407 -11.443 -7.129 -12.463 1.00 24.30 H new ATOM 0 HB3 SER A 407 -12.779 -6.040 -12.149 1.00 24.30 H new ATOM 0 HG SER A 407 -11.506 -5.362 -13.974 1.00 64.20 H new ATOM 758 N CYS A 408 -12.501 -6.251 -8.804 1.00 51.31 N ATOM 759 CA CYS A 408 -13.240 -7.012 -7.834 1.00 34.30 C ATOM 760 C CYS A 408 -14.710 -7.013 -8.246 1.00 1.34 C ATOM 761 O CYS A 408 -15.126 -6.142 -9.010 1.00 21.40 O ATOM 762 CB CYS A 408 -13.027 -6.410 -6.440 1.00 60.30 C ATOM 763 SG CYS A 408 -13.365 -4.622 -6.329 1.00 63.21 S ATOM 0 H CYS A 408 -12.570 -5.241 -8.681 1.00 51.31 H new ATOM 0 HA CYS A 408 -12.893 -8.044 -7.794 1.00 34.30 H new ATOM 0 HB2 CYS A 408 -13.668 -6.933 -5.730 1.00 60.30 H new ATOM 0 HB3 CYS A 408 -11.997 -6.592 -6.133 1.00 60.30 H new ATOM 768 N TRP A 409 -15.488 -7.979 -7.780 1.00 11.24 N ATOM 769 CA TRP A 409 -16.885 -8.074 -8.197 1.00 4.24 C ATOM 770 C TRP A 409 -17.747 -7.203 -7.302 1.00 43.53 C ATOM 771 O TRP A 409 -18.795 -6.688 -7.721 1.00 31.33 O ATOM 772 CB TRP A 409 -17.392 -9.556 -8.142 1.00 61.00 C ATOM 773 CG TRP A 409 -17.920 -10.021 -6.809 1.00 62.34 C ATOM 774 CD1 TRP A 409 -17.241 -10.599 -5.807 1.00 43.31 C ATOM 775 CD2 TRP A 409 -19.277 -9.935 -6.377 1.00 51.24 C ATOM 776 NE1 TRP A 409 -18.084 -10.870 -4.755 1.00 12.14 N ATOM 777 CE2 TRP A 409 -19.345 -10.472 -5.091 1.00 40.53 C ATOM 778 CE3 TRP A 409 -20.428 -9.445 -6.966 1.00 71.23 C ATOM 779 CZ2 TRP A 409 -20.534 -10.534 -4.376 1.00 15.03 C ATOM 780 CZ3 TRP A 409 -21.614 -9.505 -6.265 1.00 73.34 C ATOM 781 CH2 TRP A 409 -21.659 -10.046 -4.977 1.00 31.42 C ATOM 0 H TRP A 409 -15.185 -8.699 -7.124 1.00 11.24 H new ATOM 0 HA TRP A 409 -16.958 -7.727 -9.228 1.00 4.24 H new ATOM 0 HB2 TRP A 409 -18.179 -9.678 -8.886 1.00 61.00 H new ATOM 0 HB3 TRP A 409 -16.572 -10.212 -8.435 1.00 61.00 H new ATOM 0 HD1 TRP A 409 -16.184 -10.820 -5.824 1.00 43.31 H new ATOM 0 HE1 TRP A 409 -17.812 -11.298 -3.870 1.00 12.14 H new ATOM 0 HE3 TRP A 409 -20.399 -9.022 -7.959 1.00 71.23 H new ATOM 0 HZ2 TRP A 409 -20.568 -10.953 -3.381 1.00 15.03 H new ATOM 0 HZ3 TRP A 409 -22.520 -9.129 -6.717 1.00 73.34 H new ATOM 0 HH2 TRP A 409 -22.600 -10.079 -4.448 1.00 31.42 H new ATOM 792 N ASN A 410 -17.287 -7.020 -6.079 1.00 11.04 N ATOM 793 CA ASN A 410 -18.069 -6.361 -5.060 1.00 42.13 C ATOM 794 C ASN A 410 -17.819 -4.847 -5.085 1.00 64.45 C ATOM 795 O ASN A 410 -18.400 -4.078 -4.307 1.00 13.35 O ATOM 796 CB ASN A 410 -17.699 -6.943 -3.697 1.00 45.34 C ATOM 797 CG ASN A 410 -18.776 -6.741 -2.671 1.00 72.31 C ATOM 798 OD1 ASN A 410 -18.829 -5.740 -1.978 1.00 21.33 O ATOM 799 ND2 ASN A 410 -19.636 -7.710 -2.560 1.00 33.04 N ATOM 0 H ASN A 410 -16.364 -7.324 -5.768 1.00 11.04 H new ATOM 0 HA ASN A 410 -19.129 -6.528 -5.251 1.00 42.13 H new ATOM 0 HB2 ASN A 410 -17.499 -8.009 -3.804 1.00 45.34 H new ATOM 0 HB3 ASN A 410 -16.777 -6.479 -3.346 1.00 45.34 H new ATOM 0 HD21 ASN A 410 -20.389 -7.648 -1.874 1.00 33.04 H new ATOM 0 HD22 ASN A 410 -19.558 -8.532 -3.159 1.00 33.04 H new ATOM 805 N GLY A 411 -16.966 -4.440 -5.981 1.00 23.30 N ATOM 806 CA GLY A 411 -16.616 -3.054 -6.158 1.00 54.31 C ATOM 807 C GLY A 411 -16.130 -2.858 -7.563 1.00 60.40 C ATOM 808 O GLY A 411 -16.441 -3.686 -8.421 1.00 10.31 O ATOM 0 H GLY A 411 -16.484 -5.071 -6.622 1.00 23.30 H new ATOM 0 HA2 GLY A 411 -17.480 -2.418 -5.965 1.00 54.31 H new ATOM 0 HA3 GLY A 411 -15.842 -2.766 -5.447 1.00 54.31 H new ATOM 812 N PRO A 412 -15.379 -1.800 -7.872 1.00 15.44 N ATOM 813 CA PRO A 412 -14.885 -1.619 -9.221 1.00 23.32 C ATOM 814 C PRO A 412 -13.477 -2.208 -9.442 1.00 5.31 C ATOM 815 O PRO A 412 -13.230 -2.889 -10.429 1.00 73.33 O ATOM 816 CB PRO A 412 -14.838 -0.093 -9.342 1.00 11.21 C ATOM 817 CG PRO A 412 -14.631 0.424 -7.935 1.00 1.23 C ATOM 818 CD PRO A 412 -15.012 -0.691 -6.977 1.00 72.10 C ATOM 0 HA PRO A 412 -15.510 -2.126 -9.956 1.00 23.32 H new ATOM 0 HB2 PRO A 412 -14.027 0.223 -9.998 1.00 11.21 H new ATOM 0 HB3 PRO A 412 -15.763 0.294 -9.769 1.00 11.21 H new ATOM 0 HG2 PRO A 412 -13.593 0.720 -7.785 1.00 1.23 H new ATOM 0 HG3 PRO A 412 -15.244 1.308 -7.757 1.00 1.23 H new ATOM 0 HD2 PRO A 412 -14.182 -0.960 -6.323 1.00 72.10 H new ATOM 0 HD3 PRO A 412 -15.843 -0.402 -6.334 1.00 72.10 H new ATOM 826 N HIS A 413 -12.597 -2.008 -8.486 1.00 72.32 N ATOM 827 CA HIS A 413 -11.199 -2.420 -8.543 1.00 52.40 C ATOM 828 C HIS A 413 -10.670 -2.317 -7.151 1.00 72.44 C ATOM 829 O HIS A 413 -11.207 -1.541 -6.360 1.00 21.43 O ATOM 830 CB HIS A 413 -10.329 -1.466 -9.425 1.00 44.52 C ATOM 831 CG HIS A 413 -10.641 -1.428 -10.887 1.00 72.13 C ATOM 832 ND1 HIS A 413 -10.104 -2.304 -11.785 1.00 21.12 N ATOM 833 CD2 HIS A 413 -11.457 -0.618 -11.600 1.00 62.21 C ATOM 834 CE1 HIS A 413 -10.576 -2.048 -12.976 1.00 51.23 C ATOM 835 NE2 HIS A 413 -11.393 -1.030 -12.894 1.00 2.55 N ATOM 0 H HIS A 413 -12.837 -1.538 -7.613 1.00 72.32 H new ATOM 0 HA HIS A 413 -11.149 -3.423 -8.968 1.00 52.40 H new ATOM 0 HB2 HIS A 413 -10.427 -0.455 -9.030 1.00 44.52 H new ATOM 0 HB3 HIS A 413 -9.284 -1.754 -9.308 1.00 44.52 H new ATOM 0 HD1 HIS A 413 -9.438 -3.043 -11.561 1.00 21.12 H new ATOM 0 HD2 HIS A 413 -12.047 0.200 -11.215 1.00 62.21 H new ATOM 0 HE1 HIS A 413 -10.332 -2.588 -13.879 1.00 51.23 H new ATOM 844 N ARG A 414 -9.655 -3.070 -6.833 1.00 3.32 N ATOM 845 CA ARG A 414 -9.031 -2.936 -5.548 1.00 73.11 C ATOM 846 C ARG A 414 -8.234 -1.663 -5.438 1.00 71.20 C ATOM 847 O ARG A 414 -7.781 -1.093 -6.448 1.00 43.21 O ATOM 848 CB ARG A 414 -8.203 -4.151 -5.159 1.00 31.35 C ATOM 849 CG ARG A 414 -9.033 -5.333 -4.716 1.00 62.14 C ATOM 850 CD ARG A 414 -8.169 -6.537 -4.405 1.00 0.10 C ATOM 851 NE ARG A 414 -8.965 -7.663 -3.906 1.00 63.41 N ATOM 852 CZ ARG A 414 -8.468 -8.824 -3.445 1.00 71.03 C ATOM 853 NH1 ARG A 414 -7.149 -9.029 -3.405 1.00 23.22 N ATOM 854 NH2 ARG A 414 -9.287 -9.760 -3.013 1.00 62.42 N ATOM 0 H ARG A 414 -9.245 -3.778 -7.441 1.00 3.32 H new ATOM 0 HA ARG A 414 -9.845 -2.876 -4.826 1.00 73.11 H new ATOM 0 HB2 ARG A 414 -7.588 -4.448 -6.008 1.00 31.35 H new ATOM 0 HB3 ARG A 414 -7.522 -3.874 -4.354 1.00 31.35 H new ATOM 0 HG2 ARG A 414 -9.611 -5.062 -3.833 1.00 62.14 H new ATOM 0 HG3 ARG A 414 -9.748 -5.590 -5.498 1.00 62.14 H new ATOM 0 HD2 ARG A 414 -7.632 -6.841 -5.304 1.00 0.10 H new ATOM 0 HD3 ARG A 414 -7.419 -6.264 -3.662 1.00 0.10 H new ATOM 0 HE ARG A 414 -9.979 -7.557 -3.909 1.00 63.41 H new ATOM 0 HH11 ARG A 414 -6.510 -8.302 -3.726 1.00 23.22 H new ATOM 0 HH12 ARG A 414 -6.781 -9.913 -3.054 1.00 23.22 H new ATOM 0 HH21 ARG A 414 -10.295 -9.603 -3.029 1.00 62.42 H new ATOM 0 HH22 ARG A 414 -8.914 -10.642 -2.663 1.00 62.42 H new ATOM 866 N SER A 415 -8.107 -1.208 -4.236 1.00 52.41 N ATOM 867 CA SER A 415 -7.419 -0.025 -3.923 1.00 44.22 C ATOM 868 C SER A 415 -7.020 -0.060 -2.452 1.00 44.21 C ATOM 869 O SER A 415 -7.585 -0.845 -1.671 1.00 23.22 O ATOM 870 CB SER A 415 -8.334 1.170 -4.213 1.00 2.32 C ATOM 871 OG SER A 415 -9.592 1.015 -3.557 1.00 64.03 O ATOM 0 H SER A 415 -8.500 -1.678 -3.420 1.00 52.41 H new ATOM 0 HA SER A 415 -6.517 0.069 -4.527 1.00 44.22 H new ATOM 0 HB2 SER A 415 -7.855 2.090 -3.878 1.00 2.32 H new ATOM 0 HB3 SER A 415 -8.488 1.263 -5.288 1.00 2.32 H new ATOM 0 HG SER A 415 -9.776 0.062 -3.424 1.00 64.03 H new ATOM 877 N ALA A 416 -6.065 0.746 -2.081 1.00 20.04 N ATOM 878 CA ALA A 416 -5.615 0.823 -0.726 1.00 75.42 C ATOM 879 C ALA A 416 -4.999 2.157 -0.475 1.00 2.01 C ATOM 880 O ALA A 416 -4.436 2.776 -1.388 1.00 21.31 O ATOM 881 CB ALA A 416 -4.602 -0.269 -0.423 1.00 0.55 C ATOM 0 H ALA A 416 -5.575 1.373 -2.719 1.00 20.04 H new ATOM 0 HA ALA A 416 -6.477 0.685 -0.073 1.00 75.42 H new ATOM 0 HB1 ALA A 416 -4.277 -0.186 0.614 1.00 0.55 H new ATOM 0 HB2 ALA A 416 -5.060 -1.245 -0.583 1.00 0.55 H new ATOM 0 HB3 ALA A 416 -3.741 -0.160 -1.083 1.00 0.55 H new ATOM 887 N ILE A 417 -5.132 2.620 0.719 1.00 54.25 N ATOM 888 CA ILE A 417 -4.488 3.820 1.112 1.00 41.11 C ATOM 889 C ILE A 417 -3.395 3.477 2.111 1.00 60.31 C ATOM 890 O ILE A 417 -3.648 2.890 3.165 1.00 50.54 O ATOM 891 CB ILE A 417 -5.479 4.905 1.689 1.00 21.02 C ATOM 892 CG1 ILE A 417 -4.735 6.226 1.921 1.00 52.15 C ATOM 893 CG2 ILE A 417 -6.143 4.447 2.996 1.00 2.34 C ATOM 894 CD1 ILE A 417 -5.620 7.344 2.431 1.00 60.21 C ATOM 0 H ILE A 417 -5.690 2.177 1.449 1.00 54.25 H new ATOM 0 HA ILE A 417 -4.055 4.279 0.223 1.00 41.11 H new ATOM 0 HB ILE A 417 -6.268 5.049 0.951 1.00 21.02 H new ATOM 0 HG12 ILE A 417 -3.929 6.058 2.636 1.00 52.15 H new ATOM 0 HG13 ILE A 417 -4.271 6.540 0.986 1.00 52.15 H new ATOM 0 HG21 ILE A 417 -6.816 5.226 3.355 1.00 2.34 H new ATOM 0 HG22 ILE A 417 -6.709 3.533 2.816 1.00 2.34 H new ATOM 0 HG23 ILE A 417 -5.376 4.256 3.746 1.00 2.34 H new ATOM 0 HD11 ILE A 417 -5.023 8.245 2.571 1.00 60.21 H new ATOM 0 HD12 ILE A 417 -6.411 7.541 1.707 1.00 60.21 H new ATOM 0 HD13 ILE A 417 -6.064 7.051 3.383 1.00 60.21 H new ATOM 901 N VAL A 418 -2.201 3.777 1.760 1.00 62.30 N ATOM 902 CA VAL A 418 -1.103 3.561 2.635 1.00 0.35 C ATOM 903 C VAL A 418 -0.763 4.816 3.333 1.00 54.53 C ATOM 904 O VAL A 418 -0.566 5.863 2.714 1.00 4.41 O ATOM 905 CB VAL A 418 0.149 2.954 1.925 1.00 74.32 C ATOM 906 CG1 VAL A 418 1.432 3.285 2.670 1.00 33.14 C ATOM 907 CG2 VAL A 418 0.024 1.452 1.875 1.00 31.51 C ATOM 0 H VAL A 418 -1.953 4.180 0.857 1.00 62.30 H new ATOM 0 HA VAL A 418 -1.418 2.813 3.363 1.00 0.35 H new ATOM 0 HB VAL A 418 0.193 3.382 0.924 1.00 74.32 H new ATOM 0 HG11 VAL A 418 2.281 2.846 2.146 1.00 33.14 H new ATOM 0 HG12 VAL A 418 1.556 4.367 2.718 1.00 33.14 H new ATOM 0 HG13 VAL A 418 1.381 2.880 3.681 1.00 33.14 H new ATOM 0 HG21 VAL A 418 0.898 1.030 1.379 1.00 31.51 H new ATOM 0 HG22 VAL A 418 -0.043 1.059 2.889 1.00 31.51 H new ATOM 0 HG23 VAL A 418 -0.874 1.180 1.320 1.00 31.51 H new ATOM 913 N THR A 419 -0.739 4.743 4.605 1.00 44.41 N ATOM 914 CA THR A 419 -0.322 5.832 5.352 1.00 15.44 C ATOM 915 C THR A 419 1.029 5.426 5.895 1.00 64.12 C ATOM 916 O THR A 419 1.126 4.496 6.706 1.00 34.12 O ATOM 917 CB THR A 419 -1.293 6.057 6.512 1.00 30.42 C ATOM 918 OG1 THR A 419 -2.635 5.808 6.041 1.00 54.03 O ATOM 919 CG2 THR A 419 -1.239 7.494 6.955 1.00 44.22 C ATOM 0 H THR A 419 -1.010 3.922 5.147 1.00 44.41 H new ATOM 0 HA THR A 419 -0.279 6.751 4.767 1.00 15.44 H new ATOM 0 HB THR A 419 -1.024 5.395 7.335 1.00 30.42 H new ATOM 0 HG1 THR A 419 -3.270 5.947 6.774 1.00 54.03 H new ATOM 0 HG21 THR A 419 -1.933 7.646 7.781 1.00 44.22 H new ATOM 0 HG22 THR A 419 -0.228 7.736 7.281 1.00 44.22 H new ATOM 0 HG23 THR A 419 -1.517 8.142 6.124 1.00 44.22 H new ATOM 925 N VAL A 420 2.055 6.066 5.443 1.00 31.30 N ATOM 926 CA VAL A 420 3.363 5.728 5.879 1.00 63.20 C ATOM 927 C VAL A 420 3.806 6.738 6.894 1.00 12.53 C ATOM 928 O VAL A 420 3.802 7.917 6.637 1.00 71.33 O ATOM 929 CB VAL A 420 4.376 5.560 4.689 1.00 70.43 C ATOM 930 CG1 VAL A 420 4.519 6.816 3.846 1.00 5.12 C ATOM 931 CG2 VAL A 420 5.726 5.086 5.182 1.00 12.44 C ATOM 0 H VAL A 420 2.010 6.830 4.768 1.00 31.30 H new ATOM 0 HA VAL A 420 3.340 4.746 6.351 1.00 63.20 H new ATOM 0 HB VAL A 420 3.954 4.795 4.037 1.00 70.43 H new ATOM 0 HG11 VAL A 420 5.232 6.635 3.042 1.00 5.12 H new ATOM 0 HG12 VAL A 420 3.551 7.081 3.420 1.00 5.12 H new ATOM 0 HG13 VAL A 420 4.877 7.635 4.471 1.00 5.12 H new ATOM 0 HG21 VAL A 420 6.405 4.979 4.336 1.00 12.44 H new ATOM 0 HG22 VAL A 420 6.133 5.814 5.884 1.00 12.44 H new ATOM 0 HG23 VAL A 420 5.614 4.123 5.681 1.00 12.44 H new ATOM 937 N GLU A 421 4.112 6.280 8.059 1.00 43.41 N ATOM 938 CA GLU A 421 4.450 7.155 9.141 1.00 20.34 C ATOM 939 C GLU A 421 5.903 6.951 9.554 1.00 44.41 C ATOM 940 O GLU A 421 6.638 6.206 8.907 1.00 24.23 O ATOM 941 CB GLU A 421 3.478 6.907 10.296 1.00 11.32 C ATOM 942 CG GLU A 421 2.020 7.077 9.873 1.00 24.42 C ATOM 943 CD GLU A 421 1.027 6.753 10.952 1.00 53.54 C ATOM 944 OE1 GLU A 421 0.711 5.583 11.143 1.00 51.44 O ATOM 945 OE2 GLU A 421 0.521 7.683 11.613 1.00 44.15 O ATOM 0 H GLU A 421 4.137 5.288 8.294 1.00 43.41 H new ATOM 0 HA GLU A 421 4.356 8.196 8.831 1.00 20.34 H new ATOM 0 HB2 GLU A 421 3.627 5.899 10.683 1.00 11.32 H new ATOM 0 HB3 GLU A 421 3.701 7.597 11.110 1.00 11.32 H new ATOM 0 HG2 GLU A 421 1.865 8.106 9.548 1.00 24.42 H new ATOM 0 HG3 GLU A 421 1.826 6.438 9.012 1.00 24.42 H new ATOM 952 N CYS A 422 6.300 7.607 10.601 1.00 64.12 N ATOM 953 CA CYS A 422 7.664 7.584 11.085 1.00 45.12 C ATOM 954 C CYS A 422 8.123 6.187 11.470 1.00 42.31 C ATOM 955 O CYS A 422 7.476 5.505 12.250 1.00 11.41 O ATOM 956 CB CYS A 422 7.781 8.515 12.288 1.00 51.03 C ATOM 957 SG CYS A 422 9.392 8.434 13.185 1.00 25.33 S ATOM 0 H CYS A 422 5.678 8.189 11.162 1.00 64.12 H new ATOM 0 HA CYS A 422 8.310 7.920 10.274 1.00 45.12 H new ATOM 0 HB2 CYS A 422 7.621 9.540 11.952 1.00 51.03 H new ATOM 0 HB3 CYS A 422 6.980 8.280 12.989 1.00 51.03 H new ATOM 962 N GLY A 423 9.250 5.784 10.941 1.00 12.53 N ATOM 963 CA GLY A 423 9.791 4.500 11.269 1.00 63.30 C ATOM 964 C GLY A 423 11.270 4.459 11.055 1.00 13.33 C ATOM 965 O GLY A 423 11.874 5.472 10.692 1.00 43.15 O ATOM 0 H GLY A 423 9.807 6.329 10.283 1.00 12.53 H new ATOM 0 HA2 GLY A 423 9.566 4.264 12.309 1.00 63.30 H new ATOM 0 HA3 GLY A 423 9.312 3.735 10.658 1.00 63.30 H new ATOM 969 N VAL A 424 11.852 3.319 11.282 1.00 62.04 N ATOM 970 CA VAL A 424 13.271 3.119 11.078 1.00 73.25 C ATOM 971 C VAL A 424 13.498 2.608 9.657 1.00 54.12 C ATOM 972 O VAL A 424 14.476 2.953 9.001 1.00 72.41 O ATOM 973 CB VAL A 424 13.851 2.096 12.101 1.00 44.33 C ATOM 974 CG1 VAL A 424 15.356 1.914 11.916 1.00 23.03 C ATOM 975 CG2 VAL A 424 13.539 2.523 13.527 1.00 40.24 C ATOM 0 H VAL A 424 11.359 2.491 11.616 1.00 62.04 H new ATOM 0 HA VAL A 424 13.783 4.070 11.227 1.00 73.25 H new ATOM 0 HB VAL A 424 13.372 1.135 11.913 1.00 44.33 H new ATOM 0 HG11 VAL A 424 15.728 1.194 12.645 1.00 23.03 H new ATOM 0 HG12 VAL A 424 15.557 1.548 10.909 1.00 23.03 H new ATOM 0 HG13 VAL A 424 15.859 2.870 12.061 1.00 23.03 H new ATOM 0 HG21 VAL A 424 13.953 1.794 14.224 1.00 40.24 H new ATOM 0 HG22 VAL A 424 13.981 3.501 13.719 1.00 40.24 H new ATOM 0 HG23 VAL A 424 12.459 2.580 13.662 1.00 40.24 H new ATOM 981 N GLU A 425 12.561 1.822 9.178 1.00 23.31 N ATOM 982 CA GLU A 425 12.644 1.226 7.862 1.00 41.35 C ATOM 983 C GLU A 425 11.261 1.062 7.307 1.00 23.10 C ATOM 984 O GLU A 425 10.302 0.879 8.054 1.00 52.34 O ATOM 985 CB GLU A 425 13.353 -0.137 7.931 1.00 52.12 C ATOM 986 CG GLU A 425 13.584 -0.790 6.572 1.00 72.31 C ATOM 987 CD GLU A 425 14.275 -2.126 6.669 1.00 62.52 C ATOM 988 OE1 GLU A 425 15.530 -2.154 6.763 1.00 33.11 O ATOM 989 OE2 GLU A 425 13.589 -3.167 6.643 1.00 73.54 O ATOM 0 H GLU A 425 11.715 1.576 9.692 1.00 23.31 H new ATOM 0 HA GLU A 425 13.224 1.878 7.209 1.00 41.35 H new ATOM 0 HB2 GLU A 425 14.314 -0.009 8.429 1.00 52.12 H new ATOM 0 HB3 GLU A 425 12.761 -0.811 8.550 1.00 52.12 H new ATOM 0 HG2 GLU A 425 12.625 -0.919 6.070 1.00 72.31 H new ATOM 0 HG3 GLU A 425 14.182 -0.122 5.951 1.00 72.31 H new ATOM 996 N ASN A 426 11.171 1.172 6.012 1.00 35.11 N ATOM 997 CA ASN A 426 9.947 0.983 5.280 1.00 64.15 C ATOM 998 C ASN A 426 9.415 -0.438 5.436 1.00 33.21 C ATOM 999 O ASN A 426 9.899 -1.369 4.815 1.00 23.51 O ATOM 1000 CB ASN A 426 10.139 1.379 3.810 1.00 25.21 C ATOM 1001 CG ASN A 426 11.476 0.912 3.252 1.00 23.55 C ATOM 1002 OD1 ASN A 426 12.457 1.655 3.296 1.00 21.24 O ATOM 1003 ND2 ASN A 426 11.543 -0.286 2.794 1.00 11.51 N ATOM 0 H ASN A 426 11.968 1.402 5.418 1.00 35.11 H new ATOM 0 HA ASN A 426 9.186 1.641 5.701 1.00 64.15 H new ATOM 0 HB2 ASN A 426 9.331 0.954 3.214 1.00 25.21 H new ATOM 0 HB3 ASN A 426 10.068 2.463 3.716 1.00 25.21 H new ATOM 0 HD21 ASN A 426 12.431 -0.652 2.451 1.00 11.51 H new ATOM 0 HD22 ASN A 426 10.708 -0.872 2.774 1.00 11.51 H new ATOM 1009 N GLU A 427 8.457 -0.583 6.311 1.00 1.14 N ATOM 1010 CA GLU A 427 7.867 -1.865 6.617 1.00 44.10 C ATOM 1011 C GLU A 427 6.343 -1.763 6.590 1.00 33.13 C ATOM 1012 O GLU A 427 5.782 -0.689 6.886 1.00 41.12 O ATOM 1013 CB GLU A 427 8.357 -2.342 7.995 1.00 5.55 C ATOM 1014 CG GLU A 427 7.827 -3.701 8.410 1.00 0.45 C ATOM 1015 CD GLU A 427 8.199 -4.775 7.425 1.00 45.52 C ATOM 1016 OE1 GLU A 427 7.456 -4.972 6.447 1.00 63.32 O ATOM 1017 OE2 GLU A 427 9.247 -5.426 7.615 1.00 75.24 O ATOM 0 H GLU A 427 8.057 0.192 6.839 1.00 1.14 H new ATOM 0 HA GLU A 427 8.172 -2.593 5.865 1.00 44.10 H new ATOM 0 HB2 GLU A 427 9.446 -2.377 7.988 1.00 5.55 H new ATOM 0 HB3 GLU A 427 8.066 -1.607 8.745 1.00 5.55 H new ATOM 0 HG2 GLU A 427 8.220 -3.959 9.393 1.00 0.45 H new ATOM 0 HG3 GLU A 427 6.742 -3.654 8.503 1.00 0.45 H new ATOM 1024 N ILE A 428 5.678 -2.855 6.222 1.00 43.22 N ATOM 1025 CA ILE A 428 4.229 -2.894 6.198 1.00 0.34 C ATOM 1026 C ILE A 428 3.765 -3.169 7.613 1.00 22.40 C ATOM 1027 O ILE A 428 4.093 -4.210 8.196 1.00 41.34 O ATOM 1028 CB ILE A 428 3.667 -4.032 5.303 1.00 63.43 C ATOM 1029 CG1 ILE A 428 4.314 -4.045 3.910 1.00 73.00 C ATOM 1030 CG2 ILE A 428 2.151 -3.866 5.172 1.00 52.14 C ATOM 1031 CD1 ILE A 428 4.045 -2.811 3.091 1.00 61.14 C ATOM 0 H ILE A 428 6.127 -3.725 5.936 1.00 43.22 H new ATOM 0 HA ILE A 428 3.875 -1.944 5.797 1.00 0.34 H new ATOM 0 HB ILE A 428 3.904 -4.984 5.779 1.00 63.43 H new ATOM 0 HG12 ILE A 428 5.392 -4.164 4.024 1.00 73.00 H new ATOM 0 HG13 ILE A 428 3.953 -4.916 3.363 1.00 73.00 H new ATOM 0 HG21 ILE A 428 1.751 -4.662 4.545 1.00 52.14 H new ATOM 0 HG22 ILE A 428 1.693 -3.917 6.160 1.00 52.14 H new ATOM 0 HG23 ILE A 428 1.929 -2.900 4.718 1.00 52.14 H new ATOM 0 HD11 ILE A 428 4.538 -2.902 2.123 1.00 61.14 H new ATOM 0 HD12 ILE A 428 2.971 -2.700 2.942 1.00 61.14 H new ATOM 0 HD13 ILE A 428 4.431 -1.936 3.614 1.00 61.14 H new ATOM 1038 N VAL A 429 3.021 -2.274 8.156 1.00 74.03 N ATOM 1039 CA VAL A 429 2.570 -2.400 9.514 1.00 13.34 C ATOM 1040 C VAL A 429 1.332 -3.261 9.619 1.00 72.12 C ATOM 1041 O VAL A 429 1.304 -4.224 10.381 1.00 70.43 O ATOM 1042 CB VAL A 429 2.292 -1.011 10.121 1.00 45.14 C ATOM 1043 CG1 VAL A 429 1.622 -1.119 11.471 1.00 72.04 C ATOM 1044 CG2 VAL A 429 3.577 -0.223 10.230 1.00 12.13 C ATOM 0 H VAL A 429 2.702 -1.430 7.680 1.00 74.03 H new ATOM 0 HA VAL A 429 3.367 -2.888 10.075 1.00 13.34 H new ATOM 0 HB VAL A 429 1.608 -0.485 9.455 1.00 45.14 H new ATOM 0 HG11 VAL A 429 1.441 -0.120 11.869 1.00 72.04 H new ATOM 0 HG12 VAL A 429 0.673 -1.645 11.365 1.00 72.04 H new ATOM 0 HG13 VAL A 429 2.268 -1.670 12.155 1.00 72.04 H new ATOM 0 HG21 VAL A 429 3.368 0.756 10.660 1.00 12.13 H new ATOM 0 HG22 VAL A 429 4.279 -0.758 10.870 1.00 12.13 H new ATOM 0 HG23 VAL A 429 4.013 -0.098 9.239 1.00 12.13 H new ATOM 1050 N SER A 430 0.340 -2.950 8.832 1.00 31.00 N ATOM 1051 CA SER A 430 -0.942 -3.621 8.898 1.00 24.41 C ATOM 1052 C SER A 430 -1.740 -3.292 7.675 1.00 4.34 C ATOM 1053 O SER A 430 -1.424 -2.334 6.971 1.00 53.22 O ATOM 1054 CB SER A 430 -1.738 -3.163 10.140 1.00 70.33 C ATOM 1055 OG SER A 430 -1.064 -3.456 11.359 1.00 23.22 O ATOM 0 H SER A 430 0.392 -2.221 8.121 1.00 31.00 H new ATOM 0 HA SER A 430 -0.763 -4.694 8.962 1.00 24.41 H new ATOM 0 HB2 SER A 430 -1.917 -2.090 10.077 1.00 70.33 H new ATOM 0 HB3 SER A 430 -2.713 -3.650 10.142 1.00 70.33 H new ATOM 0 HG SER A 430 -0.284 -4.020 11.174 1.00 23.22 H new ATOM 1061 N VAL A 431 -2.756 -4.071 7.435 1.00 32.25 N ATOM 1062 CA VAL A 431 -3.663 -3.857 6.361 1.00 74.00 C ATOM 1063 C VAL A 431 -5.031 -4.200 6.840 1.00 51.35 C ATOM 1064 O VAL A 431 -5.302 -5.333 7.237 1.00 15.10 O ATOM 1065 CB VAL A 431 -3.298 -4.641 5.058 1.00 53.12 C ATOM 1066 CG1 VAL A 431 -3.090 -6.099 5.329 1.00 74.41 C ATOM 1067 CG2 VAL A 431 -4.385 -4.471 4.009 1.00 72.11 C ATOM 0 H VAL A 431 -2.976 -4.892 8.000 1.00 32.25 H new ATOM 0 HA VAL A 431 -3.607 -2.808 6.071 1.00 74.00 H new ATOM 0 HB VAL A 431 -2.363 -4.225 4.684 1.00 53.12 H new ATOM 0 HG11 VAL A 431 -2.838 -6.610 4.399 1.00 74.41 H new ATOM 0 HG12 VAL A 431 -2.276 -6.224 6.044 1.00 74.41 H new ATOM 0 HG13 VAL A 431 -4.004 -6.526 5.742 1.00 74.41 H new ATOM 0 HG21 VAL A 431 -4.113 -5.024 3.110 1.00 72.11 H new ATOM 0 HG22 VAL A 431 -5.329 -4.853 4.398 1.00 72.11 H new ATOM 0 HG23 VAL A 431 -4.494 -3.414 3.766 1.00 72.11 H new ATOM 1073 N LEU A 432 -5.859 -3.246 6.862 1.00 42.43 N ATOM 1074 CA LEU A 432 -7.167 -3.444 7.320 1.00 23.41 C ATOM 1075 C LEU A 432 -8.097 -3.297 6.154 1.00 13.52 C ATOM 1076 O LEU A 432 -7.959 -2.365 5.354 1.00 43.34 O ATOM 1077 CB LEU A 432 -7.471 -2.428 8.412 1.00 34.33 C ATOM 1078 CG LEU A 432 -8.776 -2.599 9.163 1.00 0.02 C ATOM 1079 CD1 LEU A 432 -8.800 -3.946 9.857 1.00 44.24 C ATOM 1080 CD2 LEU A 432 -8.936 -1.485 10.173 1.00 61.03 C ATOM 0 H LEU A 432 -5.650 -2.294 6.560 1.00 42.43 H new ATOM 0 HA LEU A 432 -7.292 -4.440 7.746 1.00 23.41 H new ATOM 0 HB2 LEU A 432 -6.657 -2.454 9.136 1.00 34.33 H new ATOM 0 HB3 LEU A 432 -7.466 -1.435 7.963 1.00 34.33 H new ATOM 0 HG LEU A 432 -9.605 -2.555 8.457 1.00 0.02 H new ATOM 0 HD11 LEU A 432 -9.741 -4.062 10.395 1.00 44.24 H new ATOM 0 HD12 LEU A 432 -8.706 -4.739 9.115 1.00 44.24 H new ATOM 0 HD13 LEU A 432 -7.970 -4.007 10.561 1.00 44.24 H new ATOM 0 HD21 LEU A 432 -9.876 -1.613 10.710 1.00 61.03 H new ATOM 0 HD22 LEU A 432 -8.107 -1.513 10.880 1.00 61.03 H new ATOM 0 HD23 LEU A 432 -8.940 -0.525 9.658 1.00 61.03 H new ATOM 1088 N GLU A 433 -9.007 -4.208 6.013 1.00 40.31 N ATOM 1089 CA GLU A 433 -9.941 -4.135 4.939 1.00 15.15 C ATOM 1090 C GLU A 433 -11.048 -3.182 5.357 1.00 4.12 C ATOM 1091 O GLU A 433 -11.836 -3.486 6.251 1.00 42.40 O ATOM 1092 CB GLU A 433 -10.497 -5.527 4.618 1.00 1.35 C ATOM 1093 CG GLU A 433 -11.362 -5.571 3.376 1.00 74.42 C ATOM 1094 CD GLU A 433 -11.959 -6.940 3.117 1.00 70.14 C ATOM 1095 OE1 GLU A 433 -13.043 -7.230 3.637 1.00 52.34 O ATOM 1096 OE2 GLU A 433 -11.353 -7.737 2.375 1.00 13.03 O ATOM 0 H GLU A 433 -9.122 -5.012 6.630 1.00 40.31 H new ATOM 0 HA GLU A 433 -9.459 -3.768 4.033 1.00 15.15 H new ATOM 0 HB2 GLU A 433 -9.665 -6.220 4.494 1.00 1.35 H new ATOM 0 HB3 GLU A 433 -11.081 -5.879 5.468 1.00 1.35 H new ATOM 0 HG2 GLU A 433 -12.167 -4.843 3.475 1.00 74.42 H new ATOM 0 HG3 GLU A 433 -10.766 -5.272 2.514 1.00 74.42 H new ATOM 1103 N ALA A 434 -11.065 -2.014 4.743 1.00 0.04 N ATOM 1104 CA ALA A 434 -12.027 -0.983 5.079 1.00 75.54 C ATOM 1105 C ALA A 434 -13.395 -1.409 4.629 1.00 34.14 C ATOM 1106 O ALA A 434 -14.358 -1.441 5.406 1.00 13.35 O ATOM 1107 CB ALA A 434 -11.632 0.327 4.415 1.00 4.24 C ATOM 0 H ALA A 434 -10.415 -1.754 4.001 1.00 0.04 H new ATOM 0 HA ALA A 434 -12.041 -0.834 6.159 1.00 75.54 H new ATOM 0 HB1 ALA A 434 -12.359 1.098 4.671 1.00 4.24 H new ATOM 0 HB2 ALA A 434 -10.644 0.629 4.764 1.00 4.24 H new ATOM 0 HB3 ALA A 434 -11.610 0.194 3.333 1.00 4.24 H new ATOM 1113 N GLN A 435 -13.468 -1.754 3.380 1.00 74.24 N ATOM 1114 CA GLN A 435 -14.674 -2.235 2.789 1.00 3.40 C ATOM 1115 C GLN A 435 -14.428 -3.634 2.260 1.00 71.40 C ATOM 1116 O GLN A 435 -14.822 -4.618 2.875 1.00 11.20 O ATOM 1117 CB GLN A 435 -15.141 -1.291 1.674 1.00 14.32 C ATOM 1118 CG GLN A 435 -15.556 0.092 2.153 1.00 33.21 C ATOM 1119 CD GLN A 435 -15.929 1.009 1.011 1.00 63.22 C ATOM 1120 OE1 GLN A 435 -17.071 1.037 0.576 1.00 11.13 O ATOM 1121 NE2 GLN A 435 -15.003 1.803 0.561 1.00 4.14 N ATOM 0 H GLN A 435 -12.679 -1.708 2.735 1.00 74.24 H new ATOM 0 HA GLN A 435 -15.467 -2.268 3.536 1.00 3.40 H new ATOM 0 HB2 GLN A 435 -14.337 -1.184 0.945 1.00 14.32 H new ATOM 0 HB3 GLN A 435 -15.983 -1.750 1.155 1.00 14.32 H new ATOM 0 HG2 GLN A 435 -16.403 -0.001 2.832 1.00 33.21 H new ATOM 0 HG3 GLN A 435 -14.739 0.537 2.721 1.00 33.21 H new ATOM 0 HE21 GLN A 435 -14.059 1.755 0.945 1.00 4.14 H new ATOM 0 HE22 GLN A 435 -15.220 2.474 -0.176 1.00 4.14 H new ATOM 1129 N LYS A 436 -13.773 -3.702 1.118 1.00 45.02 N ATOM 1130 CA LYS A 436 -13.328 -4.941 0.496 1.00 45.12 C ATOM 1131 C LYS A 436 -12.408 -4.647 -0.659 1.00 61.13 C ATOM 1132 O LYS A 436 -11.337 -5.198 -0.763 1.00 50.34 O ATOM 1133 CB LYS A 436 -14.467 -5.909 0.085 1.00 74.41 C ATOM 1134 CG LYS A 436 -15.577 -5.352 -0.826 1.00 4.43 C ATOM 1135 CD LYS A 436 -16.605 -4.476 -0.080 1.00 52.45 C ATOM 1136 CE LYS A 436 -17.591 -5.286 0.818 1.00 65.33 C ATOM 1137 NZ LYS A 436 -16.957 -6.060 1.922 1.00 71.30 N ATOM 0 H LYS A 436 -13.526 -2.873 0.578 1.00 45.02 H new ATOM 0 HA LYS A 436 -12.780 -5.480 1.269 1.00 45.12 H new ATOM 0 HB2 LYS A 436 -14.017 -6.765 -0.418 1.00 74.41 H new ATOM 0 HB3 LYS A 436 -14.935 -6.284 0.995 1.00 74.41 H new ATOM 0 HG2 LYS A 436 -15.121 -4.764 -1.623 1.00 4.43 H new ATOM 0 HG3 LYS A 436 -16.097 -6.184 -1.301 1.00 4.43 H new ATOM 0 HD2 LYS A 436 -16.072 -3.756 0.540 1.00 52.45 H new ATOM 0 HD3 LYS A 436 -17.179 -3.905 -0.810 1.00 52.45 H new ATOM 0 HE2 LYS A 436 -18.315 -4.595 1.250 1.00 65.33 H new ATOM 0 HE3 LYS A 436 -18.149 -5.977 0.186 1.00 65.33 H new ATOM 0 HZ1 LYS A 436 -17.638 -6.176 2.700 1.00 71.30 H new ATOM 0 HZ2 LYS A 436 -16.670 -6.996 1.570 1.00 71.30 H new ATOM 0 HZ3 LYS A 436 -16.120 -5.549 2.268 1.00 71.30 H new ATOM 1151 N CYS A 437 -12.809 -3.737 -1.494 1.00 11.34 N ATOM 1152 CA CYS A 437 -11.989 -3.329 -2.621 1.00 21.32 C ATOM 1153 C CYS A 437 -11.133 -2.150 -2.223 1.00 10.51 C ATOM 1154 O CYS A 437 -10.428 -1.583 -3.017 1.00 12.24 O ATOM 1155 CB CYS A 437 -12.868 -2.972 -3.809 1.00 22.35 C ATOM 1156 SG CYS A 437 -13.915 -4.353 -4.392 1.00 52.21 S ATOM 0 H CYS A 437 -13.704 -3.253 -1.425 1.00 11.34 H new ATOM 0 HA CYS A 437 -11.341 -4.156 -2.912 1.00 21.32 H new ATOM 0 HB2 CYS A 437 -13.508 -2.133 -3.537 1.00 22.35 H new ATOM 0 HB3 CYS A 437 -12.235 -2.636 -4.630 1.00 22.35 H new ATOM 1161 N GLU A 438 -11.208 -1.813 -0.975 1.00 53.32 N ATOM 1162 CA GLU A 438 -10.496 -0.711 -0.409 1.00 4.35 C ATOM 1163 C GLU A 438 -9.907 -1.133 0.923 1.00 74.52 C ATOM 1164 O GLU A 438 -10.632 -1.627 1.808 1.00 60.02 O ATOM 1165 CB GLU A 438 -11.436 0.464 -0.231 1.00 73.31 C ATOM 1166 CG GLU A 438 -10.852 1.623 0.560 1.00 22.54 C ATOM 1167 CD GLU A 438 -11.862 2.689 0.859 1.00 43.14 C ATOM 1168 OE1 GLU A 438 -12.648 2.508 1.797 1.00 20.22 O ATOM 1169 OE2 GLU A 438 -11.878 3.734 0.184 1.00 14.24 O ATOM 0 H GLU A 438 -11.785 -2.314 -0.299 1.00 53.32 H new ATOM 0 HA GLU A 438 -9.687 -0.407 -1.073 1.00 4.35 H new ATOM 0 HB2 GLU A 438 -11.735 0.826 -1.215 1.00 73.31 H new ATOM 0 HB3 GLU A 438 -12.340 0.117 0.270 1.00 73.31 H new ATOM 0 HG2 GLU A 438 -10.440 1.247 1.496 1.00 22.54 H new ATOM 0 HG3 GLU A 438 -10.025 2.059 -0.000 1.00 22.54 H new ATOM 1176 N TYR A 439 -8.623 -0.979 1.053 1.00 73.31 N ATOM 1177 CA TYR A 439 -7.918 -1.329 2.266 1.00 54.25 C ATOM 1178 C TYR A 439 -7.178 -0.117 2.809 1.00 23.25 C ATOM 1179 O TYR A 439 -6.808 0.779 2.052 1.00 65.50 O ATOM 1180 CB TYR A 439 -6.878 -2.411 1.971 1.00 31.44 C ATOM 1181 CG TYR A 439 -7.412 -3.645 1.293 1.00 75.04 C ATOM 1182 CD1 TYR A 439 -7.539 -3.689 -0.087 1.00 71.11 C ATOM 1183 CD2 TYR A 439 -7.773 -4.766 2.018 1.00 63.42 C ATOM 1184 CE1 TYR A 439 -7.999 -4.799 -0.722 1.00 3.41 C ATOM 1185 CE2 TYR A 439 -8.244 -5.893 1.383 1.00 0.50 C ATOM 1186 CZ TYR A 439 -8.351 -5.905 0.012 1.00 43.40 C ATOM 1187 OH TYR A 439 -8.803 -7.030 -0.627 1.00 70.23 O ATOM 0 H TYR A 439 -8.023 -0.604 0.318 1.00 73.31 H new ATOM 0 HA TYR A 439 -8.649 -1.686 2.992 1.00 54.25 H new ATOM 0 HB2 TYR A 439 -6.097 -1.981 1.344 1.00 31.44 H new ATOM 0 HB3 TYR A 439 -6.408 -2.706 2.909 1.00 31.44 H new ATOM 0 HD1 TYR A 439 -7.266 -2.822 -0.670 1.00 71.11 H new ATOM 0 HD2 TYR A 439 -7.684 -4.757 3.094 1.00 63.42 H new ATOM 0 HE1 TYR A 439 -8.087 -4.811 -1.798 1.00 3.41 H new ATOM 0 HE2 TYR A 439 -8.528 -6.762 1.958 1.00 0.50 H new ATOM 0 HH TYR A 439 -9.723 -6.885 -0.933 1.00 70.23 H new ATOM 1197 N LEU A 440 -6.997 -0.073 4.096 1.00 21.24 N ATOM 1198 CA LEU A 440 -6.145 0.917 4.694 1.00 21.21 C ATOM 1199 C LEU A 440 -4.928 0.203 5.217 1.00 44.51 C ATOM 1200 O LEU A 440 -5.040 -0.790 5.949 1.00 21.11 O ATOM 1201 CB LEU A 440 -6.817 1.798 5.795 1.00 62.10 C ATOM 1202 CG LEU A 440 -7.414 1.108 7.037 1.00 13.24 C ATOM 1203 CD1 LEU A 440 -7.664 2.139 8.123 1.00 3.02 C ATOM 1204 CD2 LEU A 440 -8.732 0.440 6.698 1.00 25.24 C ATOM 0 H LEU A 440 -7.431 -0.716 4.758 1.00 21.24 H new ATOM 0 HA LEU A 440 -5.885 1.643 3.924 1.00 21.21 H new ATOM 0 HB2 LEU A 440 -6.074 2.516 6.142 1.00 62.10 H new ATOM 0 HB3 LEU A 440 -7.615 2.369 5.319 1.00 62.10 H new ATOM 0 HG LEU A 440 -6.705 0.355 7.382 1.00 13.24 H new ATOM 0 HD11 LEU A 440 -8.086 1.649 9.000 1.00 3.02 H new ATOM 0 HD12 LEU A 440 -6.723 2.618 8.393 1.00 3.02 H new ATOM 0 HD13 LEU A 440 -8.363 2.891 7.757 1.00 3.02 H new ATOM 0 HD21 LEU A 440 -9.136 -0.041 7.589 1.00 25.24 H new ATOM 0 HD22 LEU A 440 -9.438 1.189 6.338 1.00 25.24 H new ATOM 0 HD23 LEU A 440 -8.571 -0.309 5.923 1.00 25.24 H new ATOM 1212 N ILE A 441 -3.795 0.644 4.795 1.00 23.55 N ATOM 1213 CA ILE A 441 -2.549 0.018 5.133 1.00 32.41 C ATOM 1214 C ILE A 441 -1.634 1.020 5.807 1.00 54.22 C ATOM 1215 O ILE A 441 -1.510 2.169 5.363 1.00 40.23 O ATOM 1216 CB ILE A 441 -1.864 -0.547 3.848 1.00 44.33 C ATOM 1217 CG1 ILE A 441 -2.728 -1.639 3.217 1.00 75.35 C ATOM 1218 CG2 ILE A 441 -0.462 -1.087 4.147 1.00 1.22 C ATOM 1219 CD1 ILE A 441 -2.260 -2.115 1.860 1.00 24.24 C ATOM 0 H ILE A 441 -3.698 1.463 4.195 1.00 23.55 H new ATOM 0 HA ILE A 441 -2.744 -0.806 5.820 1.00 32.41 H new ATOM 0 HB ILE A 441 -1.761 0.276 3.141 1.00 44.33 H new ATOM 0 HG12 ILE A 441 -2.761 -2.493 3.894 1.00 75.35 H new ATOM 0 HG13 ILE A 441 -3.748 -1.267 3.124 1.00 75.35 H new ATOM 0 HG21 ILE A 441 -0.017 -1.472 3.229 1.00 1.22 H new ATOM 0 HG22 ILE A 441 0.160 -0.285 4.543 1.00 1.22 H new ATOM 0 HG23 ILE A 441 -0.530 -1.890 4.881 1.00 1.22 H new ATOM 0 HD11 ILE A 441 -2.935 -2.889 1.493 1.00 24.24 H new ATOM 0 HD12 ILE A 441 -2.255 -1.277 1.162 1.00 24.24 H new ATOM 0 HD13 ILE A 441 -1.253 -2.523 1.945 1.00 24.24 H new ATOM 1226 N LYS A 442 -1.014 0.610 6.869 1.00 31.51 N ATOM 1227 CA LYS A 442 -0.106 1.448 7.548 1.00 23.24 C ATOM 1228 C LYS A 442 1.295 0.963 7.280 1.00 14.22 C ATOM 1229 O LYS A 442 1.533 -0.243 7.200 1.00 41.04 O ATOM 1230 CB LYS A 442 -0.401 1.457 9.044 1.00 60.22 C ATOM 1231 CG LYS A 442 0.497 2.388 9.845 1.00 3.41 C ATOM 1232 CD LYS A 442 0.150 2.378 11.324 1.00 11.11 C ATOM 1233 CE LYS A 442 -1.277 2.832 11.577 1.00 44.45 C ATOM 1234 NZ LYS A 442 -1.533 4.177 11.017 1.00 2.32 N ATOM 0 H LYS A 442 -1.130 -0.316 7.281 1.00 31.51 H new ATOM 0 HA LYS A 442 -0.210 2.471 7.187 1.00 23.24 H new ATOM 0 HB2 LYS A 442 -1.440 1.749 9.198 1.00 60.22 H new ATOM 0 HB3 LYS A 442 -0.295 0.444 9.431 1.00 60.22 H new ATOM 0 HG2 LYS A 442 1.537 2.090 9.714 1.00 3.41 H new ATOM 0 HG3 LYS A 442 0.405 3.403 9.458 1.00 3.41 H new ATOM 0 HD2 LYS A 442 0.286 1.372 11.721 1.00 11.11 H new ATOM 0 HD3 LYS A 442 0.838 3.029 11.862 1.00 11.11 H new ATOM 0 HE2 LYS A 442 -1.970 2.116 11.135 1.00 44.45 H new ATOM 0 HE3 LYS A 442 -1.470 2.842 12.650 1.00 44.45 H new ATOM 0 HZ1 LYS A 442 -2.078 4.740 11.701 1.00 2.32 H new ATOM 0 HZ2 LYS A 442 -0.628 4.650 10.823 1.00 2.32 H new ATOM 0 HZ3 LYS A 442 -2.073 4.088 10.133 1.00 2.32 H new ATOM 1248 N MET A 443 2.195 1.877 7.101 1.00 54.42 N ATOM 1249 CA MET A 443 3.580 1.576 6.888 1.00 45.50 C ATOM 1250 C MET A 443 4.385 2.537 7.678 1.00 33.32 C ATOM 1251 O MET A 443 3.866 3.553 8.133 1.00 63.24 O ATOM 1252 CB MET A 443 3.995 1.692 5.411 1.00 13.20 C ATOM 1253 CG MET A 443 3.366 0.693 4.467 1.00 4.33 C ATOM 1254 SD MET A 443 4.016 0.835 2.786 1.00 14.32 S ATOM 1255 CE MET A 443 5.765 0.509 3.068 1.00 33.53 C ATOM 0 H MET A 443 1.986 2.875 7.098 1.00 54.42 H new ATOM 0 HA MET A 443 3.749 0.544 7.195 1.00 45.50 H new ATOM 0 HB2 MET A 443 3.750 2.695 5.063 1.00 13.20 H new ATOM 0 HB3 MET A 443 5.078 1.589 5.349 1.00 13.20 H new ATOM 0 HG2 MET A 443 3.543 -0.316 4.839 1.00 4.33 H new ATOM 0 HG3 MET A 443 2.286 0.842 4.451 1.00 4.33 H new ATOM 0 HE1 MET A 443 6.220 0.143 2.148 1.00 33.53 H new ATOM 0 HE2 MET A 443 6.261 1.429 3.377 1.00 33.53 H new ATOM 0 HE3 MET A 443 5.874 -0.242 3.850 1.00 33.53 H new ATOM 1265 N LYS A 444 5.618 2.239 7.866 1.00 61.10 N ATOM 1266 CA LYS A 444 6.512 3.144 8.528 1.00 44.43 C ATOM 1267 C LYS A 444 7.735 3.292 7.679 1.00 65.44 C ATOM 1268 O LYS A 444 8.057 2.394 6.920 1.00 11.22 O ATOM 1269 CB LYS A 444 6.893 2.662 9.925 1.00 63.44 C ATOM 1270 CG LYS A 444 5.741 2.479 10.870 1.00 22.13 C ATOM 1271 CD LYS A 444 5.205 3.821 11.247 1.00 30.42 C ATOM 1272 CE LYS A 444 4.026 3.745 12.172 1.00 2.52 C ATOM 1273 NZ LYS A 444 4.379 3.130 13.479 1.00 11.20 N ATOM 0 H LYS A 444 6.046 1.362 7.569 1.00 61.10 H new ATOM 0 HA LYS A 444 6.010 4.103 8.657 1.00 44.43 H new ATOM 0 HB2 LYS A 444 7.422 1.714 9.834 1.00 63.44 H new ATOM 0 HB3 LYS A 444 7.591 3.376 10.361 1.00 63.44 H new ATOM 0 HG2 LYS A 444 4.961 1.880 10.401 1.00 22.13 H new ATOM 0 HG3 LYS A 444 6.066 1.939 11.760 1.00 22.13 H new ATOM 0 HD2 LYS A 444 5.996 4.401 11.723 1.00 30.42 H new ATOM 0 HD3 LYS A 444 4.916 4.357 10.343 1.00 30.42 H new ATOM 0 HE2 LYS A 444 3.631 4.747 12.338 1.00 2.52 H new ATOM 0 HE3 LYS A 444 3.233 3.164 11.701 1.00 2.52 H new ATOM 0 HZ1 LYS A 444 3.575 3.220 14.133 1.00 11.20 H new ATOM 0 HZ2 LYS A 444 4.602 2.124 13.340 1.00 11.20 H new ATOM 0 HZ3 LYS A 444 5.207 3.616 13.879 1.00 11.20 H new ATOM 1287 N SER A 445 8.375 4.420 7.769 1.00 43.35 N ATOM 1288 CA SER A 445 9.572 4.704 7.003 1.00 42.32 C ATOM 1289 C SER A 445 10.268 5.919 7.611 1.00 4.04 C ATOM 1290 O SER A 445 9.602 6.800 8.167 1.00 0.03 O ATOM 1291 CB SER A 445 9.202 4.989 5.510 1.00 61.53 C ATOM 1292 OG SER A 445 10.355 5.252 4.714 1.00 54.44 O ATOM 0 H SER A 445 8.085 5.183 8.380 1.00 43.35 H new ATOM 0 HA SER A 445 10.240 3.843 7.033 1.00 42.32 H new ATOM 0 HB2 SER A 445 8.666 4.133 5.100 1.00 61.53 H new ATOM 0 HB3 SER A 445 8.525 5.842 5.461 1.00 61.53 H new ATOM 0 HG SER A 445 10.082 5.423 3.789 1.00 54.44 H new ATOM 1298 N PRO A 446 11.614 5.988 7.550 1.00 20.42 N ATOM 1299 CA PRO A 446 12.356 7.157 8.031 1.00 24.33 C ATOM 1300 C PRO A 446 12.002 8.388 7.197 1.00 23.51 C ATOM 1301 O PRO A 446 12.022 9.520 7.680 1.00 15.31 O ATOM 1302 CB PRO A 446 13.833 6.771 7.822 1.00 55.02 C ATOM 1303 CG PRO A 446 13.807 5.669 6.817 1.00 21.51 C ATOM 1304 CD PRO A 446 12.517 4.936 7.036 1.00 73.52 C ATOM 0 HA PRO A 446 12.129 7.406 9.068 1.00 24.33 H new ATOM 0 HB2 PRO A 446 14.415 7.619 7.462 1.00 55.02 H new ATOM 0 HB3 PRO A 446 14.291 6.443 8.755 1.00 55.02 H new ATOM 0 HG2 PRO A 446 13.863 6.065 5.803 1.00 21.51 H new ATOM 0 HG3 PRO A 446 14.660 5.003 6.947 1.00 21.51 H new ATOM 0 HD2 PRO A 446 12.140 4.499 6.111 1.00 73.52 H new ATOM 0 HD3 PRO A 446 12.633 4.121 7.750 1.00 73.52 H new ATOM 1312 N ALA A 447 11.613 8.136 5.953 1.00 42.35 N ATOM 1313 CA ALA A 447 11.238 9.174 5.016 1.00 61.43 C ATOM 1314 C ALA A 447 9.922 9.828 5.427 1.00 60.31 C ATOM 1315 O ALA A 447 9.643 10.967 5.068 1.00 13.12 O ATOM 1316 CB ALA A 447 11.133 8.591 3.622 1.00 22.33 C ATOM 0 H ALA A 447 11.550 7.194 5.568 1.00 42.35 H new ATOM 0 HA ALA A 447 12.008 9.945 5.020 1.00 61.43 H new ATOM 0 HB1 ALA A 447 10.851 9.375 2.920 1.00 22.33 H new ATOM 0 HB2 ALA A 447 12.096 8.172 3.330 1.00 22.33 H new ATOM 0 HB3 ALA A 447 10.377 7.806 3.612 1.00 22.33 H new ATOM 1322 N ALA A 448 9.133 9.111 6.216 1.00 31.01 N ATOM 1323 CA ALA A 448 7.854 9.614 6.672 1.00 72.35 C ATOM 1324 C ALA A 448 7.968 10.092 8.090 1.00 33.43 C ATOM 1325 O ALA A 448 6.981 10.435 8.728 1.00 33.11 O ATOM 1326 CB ALA A 448 6.811 8.540 6.593 1.00 44.32 C ATOM 0 H ALA A 448 9.362 8.176 6.552 1.00 31.01 H new ATOM 0 HA ALA A 448 7.561 10.444 6.029 1.00 72.35 H new ATOM 0 HB1 ALA A 448 5.856 8.934 6.939 1.00 44.32 H new ATOM 0 HB2 ALA A 448 6.712 8.204 5.561 1.00 44.32 H new ATOM 0 HB3 ALA A 448 7.106 7.700 7.221 1.00 44.32 H new ATOM 1332 N CYS A 449 9.169 10.132 8.577 1.00 71.32 N ATOM 1333 CA CYS A 449 9.399 10.526 9.916 1.00 71.15 C ATOM 1334 C CYS A 449 9.899 11.932 9.938 1.00 42.44 C ATOM 1335 O CYS A 449 10.749 12.317 9.123 1.00 54.02 O ATOM 1336 CB CYS A 449 10.407 9.606 10.591 1.00 12.52 C ATOM 1337 SG CYS A 449 10.555 9.888 12.375 1.00 64.35 S ATOM 0 H CYS A 449 10.010 9.892 8.052 1.00 71.32 H new ATOM 0 HA CYS A 449 8.460 10.459 10.466 1.00 71.15 H new ATOM 0 HB2 CYS A 449 10.116 8.570 10.417 1.00 12.52 H new ATOM 0 HB3 CYS A 449 11.383 9.745 10.126 1.00 12.52 H new ATOM 1342 N SER A 450 9.369 12.695 10.825 1.00 53.10 N ATOM 1343 CA SER A 450 9.720 14.050 10.976 1.00 1.15 C ATOM 1344 C SER A 450 9.520 14.394 12.436 1.00 62.43 C ATOM 1345 O SER A 450 8.353 14.455 12.874 1.00 38.58 O ATOM 1346 CB SER A 450 8.844 14.921 10.062 1.00 34.41 C ATOM 1347 OG SER A 450 9.247 16.271 10.056 1.00 30.12 O ATOM 1348 OXT SER A 450 10.519 14.509 13.165 1.00 38.58 O ATOM 0 H SER A 450 8.657 12.378 11.483 1.00 53.10 H new ATOM 0 HA SER A 450 10.756 14.233 10.690 1.00 1.15 H new ATOM 0 HB2 SER A 450 8.883 14.529 9.046 1.00 34.41 H new ATOM 0 HB3 SER A 450 7.806 14.856 10.389 1.00 34.41 H new ATOM 0 HG SER A 450 8.662 16.784 9.460 1.00 30.12 H new TER 1354 SER A 450