USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 Single : A 416 SER OG : rot 180:sc= 0.0445 USER MOD Single : A 417 SER OG : rot 98:sc= 1.06 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.00397 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 ASN : amide:sc= -0.082 X(o=-0.082,f=-0.14) USER MOD Single : A 435 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0542) USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 441 LYS NZ :NH3+ 158:sc= -0.0497 (180deg=-0.277) USER MOD Single : A 443 THR OG1 : rot -22:sc= 0.105 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 GLN : amide:sc= -0.739 K(o=-0.74,f=-1.9) USER MOD Single : A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 86:sc= 0.238 USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 SER OG : rot 180:sc= 0 USER MOD Single : A 466 SER OG : rot -3:sc= 0.635 USER MOD Single : A 470 SER OG : rot -53:sc= 0.00145 USER MOD Single : A 471 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 472 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 474 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.191) USER MOD Single : A 475 GLN : amide:sc= -0.0213 X(o=-0.021,f=-0.11) USER MOD Single : A 479 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 480 SER OG : rot 180:sc= 0 USER MOD Single : A 481 SER OG : rot 180:sc= 0 USER MOD Single : A 482 SER OG : rot 180:sc= 0 USER MOD Single : A 485 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-9.8e-05) USER MOD Single : A 493 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 494 HIS : no HD1:sc=-0.00618 X(o=-0.0062,f=0) USER MOD Single : A 495 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.042) USER MOD Single : A 496 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.011) USER MOD Single : A 497 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -18.846 -0.188 -6.025 1.00 42.24 N ATOM 2 CA GLU A 414 -17.526 -0.264 -5.410 1.00 44.52 C ATOM 3 C GLU A 414 -16.850 1.104 -5.402 1.00 13.31 C ATOM 4 O GLU A 414 -15.843 1.315 -6.077 1.00 52.21 O ATOM 5 CB GLU A 414 -16.649 -1.273 -6.155 1.00 54.24 C ATOM 6 CG GLU A 414 -17.338 -2.602 -6.413 1.00 63.20 C ATOM 7 CD GLU A 414 -17.800 -2.751 -7.850 1.00 25.23 C ATOM 8 OE1 GLU A 414 -18.718 -2.011 -8.257 1.00 14.20 O ATOM 9 OE2 GLU A 414 -17.241 -3.608 -8.567 1.00 71.31 O ATOM 0 HA GLU A 414 -17.653 -0.594 -4.379 1.00 44.52 H new ATOM 0 HB2 GLU A 414 -16.342 -0.841 -7.108 1.00 54.24 H new ATOM 0 HB3 GLU A 414 -15.742 -1.450 -5.577 1.00 54.24 H new ATOM 0 HG2 GLU A 414 -16.654 -3.415 -6.169 1.00 63.20 H new ATOM 0 HG3 GLU A 414 -18.196 -2.697 -5.748 1.00 63.20 H new ATOM 16 N ALA A 415 -17.412 2.031 -4.633 1.00 60.11 N ATOM 17 CA ALA A 415 -16.864 3.378 -4.535 1.00 31.35 C ATOM 18 C ALA A 415 -15.634 3.406 -3.634 1.00 30.51 C ATOM 19 O ALA A 415 -14.970 4.434 -3.505 1.00 12.10 O ATOM 20 CB ALA A 415 -17.922 4.342 -4.017 1.00 23.25 C ATOM 0 H ALA A 415 -18.247 1.873 -4.069 1.00 60.11 H new ATOM 0 HA ALA A 415 -16.559 3.693 -5.533 1.00 31.35 H new ATOM 0 HB1 ALA A 415 -17.499 5.344 -3.949 1.00 23.25 H new ATOM 0 HB2 ALA A 415 -18.771 4.352 -4.701 1.00 23.25 H new ATOM 0 HB3 ALA A 415 -18.255 4.021 -3.030 1.00 23.25 H new ATOM 26 N SER A 416 -15.336 2.270 -3.011 1.00 61.14 N ATOM 27 CA SER A 416 -14.188 2.165 -2.119 1.00 24.05 C ATOM 28 C SER A 416 -12.913 1.876 -2.905 1.00 20.01 C ATOM 29 O SER A 416 -11.807 2.143 -2.435 1.00 62.33 O ATOM 30 CB SER A 416 -14.421 1.066 -1.080 1.00 62.52 C ATOM 31 OG SER A 416 -15.755 0.593 -1.129 1.00 10.12 O ATOM 0 H SER A 416 -15.874 1.409 -3.108 1.00 61.14 H new ATOM 0 HA SER A 416 -14.069 3.120 -1.607 1.00 24.05 H new ATOM 0 HB2 SER A 416 -13.732 0.240 -1.259 1.00 62.52 H new ATOM 0 HB3 SER A 416 -14.205 1.451 -0.084 1.00 62.52 H new ATOM 0 HG SER A 416 -15.878 -0.110 -0.457 1.00 10.12 H new ATOM 37 N SER A 417 -13.076 1.330 -4.106 1.00 32.42 N ATOM 38 CA SER A 417 -11.939 1.001 -4.957 1.00 60.51 C ATOM 39 C SER A 417 -11.151 2.256 -5.320 1.00 33.42 C ATOM 40 O SER A 417 -9.925 2.222 -5.436 1.00 12.12 O ATOM 41 CB SER A 417 -12.415 0.297 -6.230 1.00 1.31 C ATOM 42 OG SER A 417 -13.705 -0.262 -6.052 1.00 53.42 O ATOM 0 H SER A 417 -13.985 1.106 -4.511 1.00 32.42 H new ATOM 0 HA SER A 417 -11.283 0.330 -4.402 1.00 60.51 H new ATOM 0 HB2 SER A 417 -12.434 1.007 -7.057 1.00 1.31 H new ATOM 0 HB3 SER A 417 -11.709 -0.488 -6.501 1.00 1.31 H new ATOM 0 HG SER A 417 -14.379 0.346 -6.422 1.00 53.42 H new ATOM 48 N THR A 418 -11.864 3.363 -5.499 1.00 61.14 N ATOM 49 CA THR A 418 -11.233 4.629 -5.851 1.00 15.15 C ATOM 50 C THR A 418 -10.526 5.243 -4.648 1.00 10.43 C ATOM 51 O THR A 418 -9.570 6.003 -4.799 1.00 42.21 O ATOM 52 CB THR A 418 -12.262 5.637 -6.396 1.00 13.22 C ATOM 53 OG1 THR A 418 -13.308 4.944 -7.085 1.00 62.35 O ATOM 54 CG2 THR A 418 -11.599 6.631 -7.337 1.00 63.24 C ATOM 0 H THR A 418 -12.879 3.409 -5.406 1.00 61.14 H new ATOM 0 HA THR A 418 -10.501 4.412 -6.629 1.00 15.15 H new ATOM 0 HB THR A 418 -12.684 6.185 -5.553 1.00 13.22 H new ATOM 0 HG1 THR A 418 -13.959 5.591 -7.427 1.00 62.35 H new ATOM 0 HG21 THR A 418 -12.345 7.333 -7.709 1.00 63.24 H new ATOM 0 HG22 THR A 418 -10.823 7.177 -6.801 1.00 63.24 H new ATOM 0 HG23 THR A 418 -11.153 6.096 -8.176 1.00 63.24 H new ATOM 62 N ALA A 419 -11.002 4.908 -3.452 1.00 23.41 N ATOM 63 CA ALA A 419 -10.412 5.424 -2.223 1.00 52.25 C ATOM 64 C ALA A 419 -9.022 4.841 -1.993 1.00 72.32 C ATOM 65 O ALA A 419 -8.200 5.432 -1.292 1.00 70.31 O ATOM 66 CB ALA A 419 -11.317 5.124 -1.037 1.00 61.45 C ATOM 0 H ALA A 419 -11.794 4.282 -3.309 1.00 23.41 H new ATOM 0 HA ALA A 419 -10.310 6.505 -2.324 1.00 52.25 H new ATOM 0 HB1 ALA A 419 -10.864 5.515 -0.126 1.00 61.45 H new ATOM 0 HB2 ALA A 419 -12.287 5.596 -1.191 1.00 61.45 H new ATOM 0 HB3 ALA A 419 -11.449 4.046 -0.943 1.00 61.45 H new ATOM 72 N ILE A 420 -8.768 3.679 -2.586 1.00 43.33 N ATOM 73 CA ILE A 420 -7.478 3.016 -2.445 1.00 44.54 C ATOM 74 C ILE A 420 -6.391 3.759 -3.215 1.00 51.42 C ATOM 75 O ILE A 420 -5.204 3.624 -2.921 1.00 60.42 O ATOM 76 CB ILE A 420 -7.536 1.559 -2.939 1.00 41.10 C ATOM 77 CG1 ILE A 420 -8.761 0.850 -2.359 1.00 32.13 C ATOM 78 CG2 ILE A 420 -6.261 0.821 -2.561 1.00 33.12 C ATOM 79 CD1 ILE A 420 -8.761 0.782 -0.848 1.00 62.00 C ATOM 0 H ILE A 420 -9.439 3.178 -3.168 1.00 43.33 H new ATOM 0 HA ILE A 420 -7.236 3.021 -1.382 1.00 44.54 H new ATOM 0 HB ILE A 420 -7.622 1.562 -4.026 1.00 41.10 H new ATOM 0 HG12 ILE A 420 -9.661 1.367 -2.691 1.00 32.13 H new ATOM 0 HG13 ILE A 420 -8.809 -0.162 -2.760 1.00 32.13 H new ATOM 0 HG21 ILE A 420 -6.317 -0.208 -2.917 1.00 33.12 H new ATOM 0 HG22 ILE A 420 -5.405 1.317 -3.018 1.00 33.12 H new ATOM 0 HG23 ILE A 420 -6.147 0.824 -1.477 1.00 33.12 H new ATOM 0 HD11 ILE A 420 -9.659 0.266 -0.507 1.00 62.00 H new ATOM 0 HD12 ILE A 420 -7.879 0.239 -0.508 1.00 62.00 H new ATOM 0 HD13 ILE A 420 -8.745 1.792 -0.438 1.00 62.00 H new ATOM 91 N ARG A 421 -6.807 4.547 -4.202 1.00 24.03 N ATOM 92 CA ARG A 421 -5.869 5.313 -5.015 1.00 21.35 C ATOM 93 C ARG A 421 -4.927 6.129 -4.135 1.00 22.44 C ATOM 94 O ARG A 421 -3.713 6.121 -4.335 1.00 2.53 O ATOM 95 CB ARG A 421 -6.626 6.240 -5.967 1.00 13.20 C ATOM 96 CG ARG A 421 -5.775 6.764 -7.113 1.00 23.22 C ATOM 97 CD ARG A 421 -5.190 8.130 -6.793 1.00 1.44 C ATOM 98 NE ARG A 421 -4.531 8.728 -7.951 1.00 43.25 N ATOM 99 CZ ARG A 421 -5.184 9.326 -8.941 1.00 43.12 C ATOM 100 NH1 ARG A 421 -6.507 9.407 -8.914 1.00 24.42 N ATOM 101 NH2 ARG A 421 -4.513 9.846 -9.961 1.00 62.21 N ATOM 0 H ARG A 421 -7.787 4.672 -4.458 1.00 24.03 H new ATOM 0 HA ARG A 421 -5.275 4.610 -5.599 1.00 21.35 H new ATOM 0 HB2 ARG A 421 -7.482 5.705 -6.377 1.00 13.20 H new ATOM 0 HB3 ARG A 421 -7.019 7.085 -5.402 1.00 13.20 H new ATOM 0 HG2 ARG A 421 -4.968 6.061 -7.320 1.00 23.22 H new ATOM 0 HG3 ARG A 421 -6.380 6.829 -8.017 1.00 23.22 H new ATOM 0 HD2 ARG A 421 -5.983 8.792 -6.446 1.00 1.44 H new ATOM 0 HD3 ARG A 421 -4.474 8.035 -5.977 1.00 1.44 H new ATOM 0 HE ARG A 421 -3.513 8.684 -8.002 1.00 43.25 H new ATOM 0 HH11 ARG A 421 -7.026 9.009 -8.131 1.00 24.42 H new ATOM 0 HH12 ARG A 421 -7.005 9.867 -9.676 1.00 24.42 H new ATOM 0 HH21 ARG A 421 -3.495 9.787 -9.985 1.00 62.21 H new ATOM 0 HH22 ARG A 421 -5.015 10.305 -10.721 1.00 62.21 H new ATOM 115 N ALA A 422 -5.496 6.831 -3.160 1.00 45.14 N ATOM 116 CA ALA A 422 -4.707 7.652 -2.249 1.00 74.50 C ATOM 117 C ALA A 422 -4.049 6.796 -1.170 1.00 74.34 C ATOM 118 O ALA A 422 -3.002 7.155 -0.633 1.00 3.43 O ATOM 119 CB ALA A 422 -5.579 8.725 -1.616 1.00 34.53 C ATOM 0 H ALA A 422 -6.500 6.848 -2.981 1.00 45.14 H new ATOM 0 HA ALA A 422 -3.918 8.135 -2.825 1.00 74.50 H new ATOM 0 HB1 ALA A 422 -4.977 9.330 -0.938 1.00 34.53 H new ATOM 0 HB2 ALA A 422 -5.997 9.361 -2.396 1.00 34.53 H new ATOM 0 HB3 ALA A 422 -6.389 8.254 -1.059 1.00 34.53 H new ATOM 125 N LEU A 423 -4.672 5.665 -0.860 1.00 22.21 N ATOM 126 CA LEU A 423 -4.147 4.758 0.156 1.00 75.55 C ATOM 127 C LEU A 423 -2.742 4.287 -0.208 1.00 15.55 C ATOM 128 O LEU A 423 -1.831 4.323 0.619 1.00 32.42 O ATOM 129 CB LEU A 423 -5.075 3.553 0.320 1.00 64.43 C ATOM 130 CG LEU A 423 -6.387 3.812 1.060 1.00 71.44 C ATOM 131 CD1 LEU A 423 -7.134 2.509 1.296 1.00 71.50 C ATOM 132 CD2 LEU A 423 -6.125 4.524 2.379 1.00 44.11 C ATOM 0 H LEU A 423 -5.540 5.354 -1.296 1.00 22.21 H new ATOM 0 HA LEU A 423 -4.095 5.300 1.100 1.00 75.55 H new ATOM 0 HB2 LEU A 423 -5.311 3.164 -0.671 1.00 64.43 H new ATOM 0 HB3 LEU A 423 -4.531 2.770 0.849 1.00 64.43 H new ATOM 0 HG LEU A 423 -7.009 4.457 0.439 1.00 71.44 H new ATOM 0 HD11 LEU A 423 -8.065 2.714 1.824 1.00 71.50 H new ATOM 0 HD12 LEU A 423 -7.356 2.038 0.338 1.00 71.50 H new ATOM 0 HD13 LEU A 423 -6.517 1.839 1.895 1.00 71.50 H new ATOM 0 HD21 LEU A 423 -7.071 4.700 2.892 1.00 44.11 H new ATOM 0 HD22 LEU A 423 -5.482 3.905 3.005 1.00 44.11 H new ATOM 0 HD23 LEU A 423 -5.634 5.478 2.186 1.00 44.11 H new ATOM 144 N VAL A 424 -2.575 3.847 -1.451 1.00 61.41 N ATOM 145 CA VAL A 424 -1.280 3.372 -1.925 1.00 53.32 C ATOM 146 C VAL A 424 -0.238 4.483 -1.884 1.00 1.50 C ATOM 147 O VAL A 424 0.964 4.226 -1.949 1.00 61.34 O ATOM 148 CB VAL A 424 -1.376 2.826 -3.363 1.00 45.51 C ATOM 149 CG1 VAL A 424 -0.032 2.274 -3.814 1.00 72.40 C ATOM 150 CG2 VAL A 424 -2.458 1.762 -3.457 1.00 40.23 C ATOM 0 H VAL A 424 -3.319 3.809 -2.148 1.00 61.41 H new ATOM 0 HA VAL A 424 -0.974 2.567 -1.257 1.00 53.32 H new ATOM 0 HB VAL A 424 -1.647 3.646 -4.028 1.00 45.51 H new ATOM 0 HG11 VAL A 424 -0.118 1.893 -4.831 1.00 72.40 H new ATOM 0 HG12 VAL A 424 0.715 3.067 -3.786 1.00 72.40 H new ATOM 0 HG13 VAL A 424 0.271 1.466 -3.148 1.00 72.40 H new ATOM 0 HG21 VAL A 424 -2.512 1.387 -4.479 1.00 40.23 H new ATOM 0 HG22 VAL A 424 -2.220 0.940 -2.782 1.00 40.23 H new ATOM 0 HG23 VAL A 424 -3.419 2.194 -3.178 1.00 40.23 H new ATOM 160 N LYS A 425 -0.706 5.722 -1.772 1.00 20.33 N ATOM 161 CA LYS A 425 0.184 6.875 -1.719 1.00 61.03 C ATOM 162 C LYS A 425 0.767 7.050 -0.320 1.00 33.40 C ATOM 163 O LYS A 425 1.821 7.661 -0.147 1.00 12.33 O ATOM 164 CB LYS A 425 -0.566 8.144 -2.133 1.00 4.10 C ATOM 165 CG LYS A 425 0.147 8.949 -3.206 1.00 74.51 C ATOM 166 CD LYS A 425 -0.105 8.376 -4.591 1.00 51.23 C ATOM 167 CE LYS A 425 0.078 9.431 -5.671 1.00 55.15 C ATOM 168 NZ LYS A 425 1.411 9.331 -6.326 1.00 61.40 N ATOM 0 H LYS A 425 -1.698 5.953 -1.716 1.00 20.33 H new ATOM 0 HA LYS A 425 1.004 6.701 -2.416 1.00 61.03 H new ATOM 0 HB2 LYS A 425 -1.557 7.869 -2.495 1.00 4.10 H new ATOM 0 HB3 LYS A 425 -0.711 8.773 -1.255 1.00 4.10 H new ATOM 0 HG2 LYS A 425 -0.193 9.984 -3.172 1.00 74.51 H new ATOM 0 HG3 LYS A 425 1.218 8.958 -3.004 1.00 74.51 H new ATOM 0 HD2 LYS A 425 0.577 7.546 -4.772 1.00 51.23 H new ATOM 0 HD3 LYS A 425 -1.117 7.974 -4.641 1.00 51.23 H new ATOM 0 HE2 LYS A 425 -0.704 9.321 -6.422 1.00 55.15 H new ATOM 0 HE3 LYS A 425 -0.038 10.422 -5.233 1.00 55.15 H new ATOM 0 HZ1 LYS A 425 1.495 10.067 -7.056 1.00 61.40 H new ATOM 0 HZ2 LYS A 425 2.158 9.461 -5.614 1.00 61.40 H new ATOM 0 HZ3 LYS A 425 1.512 8.394 -6.766 1.00 61.40 H new ATOM 182 N LYS A 426 0.074 6.506 0.675 1.00 4.04 N ATOM 183 CA LYS A 426 0.524 6.598 2.060 1.00 61.22 C ATOM 184 C LYS A 426 1.651 5.607 2.333 1.00 11.10 C ATOM 185 O LYS A 426 2.574 5.897 3.095 1.00 64.33 O ATOM 186 CB LYS A 426 -0.643 6.335 3.015 1.00 63.20 C ATOM 187 CG LYS A 426 -0.708 7.310 4.177 1.00 51.21 C ATOM 188 CD LYS A 426 -0.450 6.615 5.504 1.00 75.25 C ATOM 189 CE LYS A 426 -0.839 7.497 6.680 1.00 35.13 C ATOM 190 NZ LYS A 426 -1.418 6.705 7.800 1.00 62.23 N ATOM 0 H LYS A 426 -0.801 5.997 0.549 1.00 4.04 H new ATOM 0 HA LYS A 426 0.902 7.606 2.227 1.00 61.22 H new ATOM 0 HB2 LYS A 426 -1.578 6.386 2.456 1.00 63.20 H new ATOM 0 HB3 LYS A 426 -0.560 5.321 3.406 1.00 63.20 H new ATOM 0 HG2 LYS A 426 0.027 8.101 4.031 1.00 51.21 H new ATOM 0 HG3 LYS A 426 -1.688 7.786 4.199 1.00 51.21 H new ATOM 0 HD2 LYS A 426 -1.015 5.684 5.544 1.00 75.25 H new ATOM 0 HD3 LYS A 426 0.605 6.351 5.579 1.00 75.25 H new ATOM 0 HE2 LYS A 426 0.038 8.038 7.034 1.00 35.13 H new ATOM 0 HE3 LYS A 426 -1.562 8.243 6.351 1.00 35.13 H new ATOM 0 HZ1 LYS A 426 -1.670 7.343 8.582 1.00 62.23 H new ATOM 0 HZ2 LYS A 426 -2.270 6.208 7.470 1.00 62.23 H new ATOM 0 HZ3 LYS A 426 -0.719 6.010 8.132 1.00 62.23 H new ATOM 204 N LEU A 427 1.571 4.439 1.706 1.00 43.12 N ATOM 205 CA LEU A 427 2.586 3.406 1.880 1.00 75.41 C ATOM 206 C LEU A 427 3.951 3.899 1.410 1.00 23.24 C ATOM 207 O LEU A 427 4.985 3.351 1.794 1.00 54.43 O ATOM 208 CB LEU A 427 2.194 2.144 1.111 1.00 61.54 C ATOM 209 CG LEU A 427 1.043 1.328 1.701 1.00 24.23 C ATOM 210 CD1 LEU A 427 1.271 1.077 3.183 1.00 42.20 C ATOM 211 CD2 LEU A 427 -0.284 2.038 1.477 1.00 64.44 C ATOM 0 H LEU A 427 0.814 4.183 1.072 1.00 43.12 H new ATOM 0 HA LEU A 427 2.652 3.171 2.942 1.00 75.41 H new ATOM 0 HB2 LEU A 427 1.925 2.431 0.094 1.00 61.54 H new ATOM 0 HB3 LEU A 427 3.070 1.500 1.039 1.00 61.54 H new ATOM 0 HG LEU A 427 1.008 0.365 1.192 1.00 24.23 H new ATOM 0 HD11 LEU A 427 0.442 0.495 3.585 1.00 42.20 H new ATOM 0 HD12 LEU A 427 2.201 0.526 3.320 1.00 42.20 H new ATOM 0 HD13 LEU A 427 1.334 2.030 3.708 1.00 42.20 H new ATOM 0 HD21 LEU A 427 -1.092 1.443 1.903 1.00 64.44 H new ATOM 0 HD22 LEU A 427 -0.260 3.015 1.959 1.00 64.44 H new ATOM 0 HD23 LEU A 427 -0.453 2.165 0.408 1.00 64.44 H new ATOM 223 N ILE A 428 3.946 4.935 0.579 1.00 60.23 N ATOM 224 CA ILE A 428 5.183 5.503 0.060 1.00 43.13 C ATOM 225 C ILE A 428 5.457 6.874 0.669 1.00 65.53 C ATOM 226 O ILE A 428 6.581 7.170 1.076 1.00 70.33 O ATOM 227 CB ILE A 428 5.143 5.635 -1.475 1.00 71.40 C ATOM 228 CG1 ILE A 428 4.716 4.311 -2.111 1.00 74.33 C ATOM 229 CG2 ILE A 428 6.501 6.070 -2.006 1.00 13.43 C ATOM 230 CD1 ILE A 428 4.543 4.389 -3.611 1.00 72.15 C ATOM 0 H ILE A 428 3.099 5.398 0.251 1.00 60.23 H new ATOM 0 HA ILE A 428 5.984 4.818 0.337 1.00 43.13 H new ATOM 0 HB ILE A 428 4.410 6.397 -1.740 1.00 71.40 H new ATOM 0 HG12 ILE A 428 5.460 3.549 -1.878 1.00 74.33 H new ATOM 0 HG13 ILE A 428 3.777 3.988 -1.662 1.00 74.33 H new ATOM 0 HG21 ILE A 428 6.456 6.159 -3.091 1.00 13.43 H new ATOM 0 HG22 ILE A 428 6.769 7.034 -1.574 1.00 13.43 H new ATOM 0 HG23 ILE A 428 7.253 5.329 -1.733 1.00 13.43 H new ATOM 0 HD11 ILE A 428 4.240 3.414 -3.993 1.00 72.15 H new ATOM 0 HD12 ILE A 428 3.778 5.127 -3.851 1.00 72.15 H new ATOM 0 HD13 ILE A 428 5.487 4.682 -4.071 1.00 72.15 H new ATOM 242 N ALA A 429 4.423 7.706 0.730 1.00 14.13 N ATOM 243 CA ALA A 429 4.551 9.044 1.294 1.00 61.22 C ATOM 244 C ALA A 429 5.192 8.998 2.676 1.00 5.44 C ATOM 245 O ALA A 429 6.058 9.813 2.997 1.00 71.32 O ATOM 246 CB ALA A 429 3.190 9.720 1.364 1.00 71.32 C ATOM 0 H ALA A 429 3.487 7.477 0.396 1.00 14.13 H new ATOM 0 HA ALA A 429 5.200 9.626 0.640 1.00 61.22 H new ATOM 0 HB1 ALA A 429 3.301 10.718 1.787 1.00 71.32 H new ATOM 0 HB2 ALA A 429 2.769 9.796 0.361 1.00 71.32 H new ATOM 0 HB3 ALA A 429 2.523 9.131 1.994 1.00 71.32 H new ATOM 252 N ALA A 430 4.763 8.041 3.492 1.00 52.14 N ATOM 253 CA ALA A 430 5.296 7.888 4.840 1.00 43.02 C ATOM 254 C ALA A 430 6.451 6.893 4.864 1.00 42.12 C ATOM 255 O ALA A 430 6.555 6.070 5.773 1.00 55.43 O ATOM 256 CB ALA A 430 4.197 7.448 5.796 1.00 63.20 C ATOM 0 H ALA A 430 4.047 7.359 3.242 1.00 52.14 H new ATOM 0 HA ALA A 430 5.678 8.856 5.165 1.00 43.02 H new ATOM 0 HB1 ALA A 430 4.610 7.338 6.799 1.00 63.20 H new ATOM 0 HB2 ALA A 430 3.405 8.197 5.810 1.00 63.20 H new ATOM 0 HB3 ALA A 430 3.788 6.493 5.465 1.00 63.20 H new ATOM 262 N GLU A 431 7.318 6.974 3.859 1.00 54.24 N ATOM 263 CA GLU A 431 8.464 6.079 3.764 1.00 33.34 C ATOM 264 C GLU A 431 9.611 6.742 3.007 1.00 72.52 C ATOM 265 O GLU A 431 9.426 7.766 2.352 1.00 2.33 O ATOM 266 CB GLU A 431 8.065 4.775 3.071 1.00 62.02 C ATOM 267 CG GLU A 431 7.045 3.960 3.847 1.00 71.45 C ATOM 268 CD GLU A 431 7.564 3.508 5.198 1.00 13.22 C ATOM 269 OE1 GLU A 431 8.792 3.569 5.414 1.00 41.15 O ATOM 270 OE2 GLU A 431 6.740 3.094 6.041 1.00 65.12 O ATOM 0 H GLU A 431 7.248 7.651 3.099 1.00 54.24 H new ATOM 0 HA GLU A 431 8.802 5.854 4.776 1.00 33.34 H new ATOM 0 HB2 GLU A 431 7.659 5.006 2.086 1.00 62.02 H new ATOM 0 HB3 GLU A 431 8.957 4.169 2.914 1.00 62.02 H new ATOM 0 HG2 GLU A 431 6.143 4.555 3.989 1.00 71.45 H new ATOM 0 HG3 GLU A 431 6.762 3.086 3.260 1.00 71.45 H new ATOM 277 N ASN A 432 10.796 6.148 3.102 1.00 61.41 N ATOM 278 CA ASN A 432 11.974 6.680 2.427 1.00 70.23 C ATOM 279 C ASN A 432 12.454 5.726 1.336 1.00 31.31 C ATOM 280 O ASN A 432 13.470 5.045 1.475 1.00 2.21 O ATOM 281 CB ASN A 432 13.098 6.926 3.434 1.00 23.15 C ATOM 282 CG ASN A 432 14.326 7.542 2.793 1.00 50.33 C ATOM 283 OD1 ASN A 432 15.353 6.883 2.631 1.00 1.15 O ATOM 284 ND2 ASN A 432 14.224 8.813 2.424 1.00 44.54 N ATOM 0 H ASN A 432 10.966 5.298 3.640 1.00 61.41 H new ATOM 0 HA ASN A 432 11.698 7.627 1.962 1.00 70.23 H new ATOM 0 HB2 ASN A 432 12.736 7.583 4.224 1.00 23.15 H new ATOM 0 HB3 ASN A 432 13.373 5.982 3.905 1.00 23.15 H new ATOM 0 HD21 ASN A 432 15.017 9.282 1.986 1.00 44.54 H new ATOM 0 HD22 ASN A 432 13.353 9.320 2.578 1.00 44.54 H new ATOM 291 N PRO A 433 11.706 5.674 0.224 1.00 52.01 N ATOM 292 CA PRO A 433 12.035 4.809 -0.913 1.00 14.03 C ATOM 293 C PRO A 433 13.282 5.277 -1.655 1.00 75.01 C ATOM 294 O PRO A 433 13.695 4.666 -2.640 1.00 31.32 O ATOM 295 CB PRO A 433 10.802 4.921 -1.813 1.00 1.21 C ATOM 296 CG PRO A 433 10.203 6.242 -1.472 1.00 5.13 C ATOM 297 CD PRO A 433 10.481 6.458 -0.010 1.00 31.13 C ATOM 0 HA PRO A 433 12.258 3.789 -0.599 1.00 14.03 H new ATOM 0 HB2 PRO A 433 11.075 4.870 -2.867 1.00 1.21 H new ATOM 0 HB3 PRO A 433 10.100 4.108 -1.626 1.00 1.21 H new ATOM 0 HG2 PRO A 433 10.643 7.037 -2.074 1.00 5.13 H new ATOM 0 HG3 PRO A 433 9.131 6.247 -1.670 1.00 5.13 H new ATOM 0 HD2 PRO A 433 10.629 7.513 0.219 1.00 31.13 H new ATOM 0 HD3 PRO A 433 9.656 6.110 0.612 1.00 31.13 H new ATOM 305 N ALA A 434 13.877 6.364 -1.176 1.00 4.11 N ATOM 306 CA ALA A 434 15.079 6.912 -1.793 1.00 62.41 C ATOM 307 C ALA A 434 16.163 5.847 -1.926 1.00 32.14 C ATOM 308 O ALA A 434 16.504 5.428 -3.031 1.00 60.24 O ATOM 309 CB ALA A 434 15.594 8.095 -0.987 1.00 34.41 C ATOM 0 H ALA A 434 13.546 6.883 -0.362 1.00 4.11 H new ATOM 0 HA ALA A 434 14.819 7.255 -2.794 1.00 62.41 H new ATOM 0 HB1 ALA A 434 16.492 8.494 -1.459 1.00 34.41 H new ATOM 0 HB2 ALA A 434 14.829 8.870 -0.949 1.00 34.41 H new ATOM 0 HB3 ALA A 434 15.831 7.770 0.026 1.00 34.41 H new ATOM 315 N LYS A 435 16.701 5.413 -0.790 1.00 55.54 N ATOM 316 CA LYS A 435 17.745 4.397 -0.778 1.00 2.14 C ATOM 317 C LYS A 435 17.180 3.030 -1.153 1.00 40.41 C ATOM 318 O LYS A 435 17.575 2.420 -2.146 1.00 70.31 O ATOM 319 CB LYS A 435 18.402 4.328 0.603 1.00 61.52 C ATOM 320 CG LYS A 435 19.768 4.991 0.660 1.00 32.45 C ATOM 321 CD LYS A 435 20.501 4.644 1.945 1.00 5.24 C ATOM 322 CE LYS A 435 20.778 5.884 2.781 1.00 52.21 C ATOM 323 NZ LYS A 435 21.741 6.802 2.111 1.00 64.31 N ATOM 0 H LYS A 435 16.430 5.750 0.134 1.00 55.54 H new ATOM 0 HA LYS A 435 18.496 4.675 -1.518 1.00 2.14 H new ATOM 0 HB2 LYS A 435 17.746 4.803 1.332 1.00 61.52 H new ATOM 0 HB3 LYS A 435 18.502 3.283 0.897 1.00 61.52 H new ATOM 0 HG2 LYS A 435 20.363 4.675 -0.197 1.00 32.45 H new ATOM 0 HG3 LYS A 435 19.652 6.072 0.586 1.00 32.45 H new ATOM 0 HD2 LYS A 435 19.906 3.938 2.525 1.00 5.24 H new ATOM 0 HD3 LYS A 435 21.441 4.148 1.706 1.00 5.24 H new ATOM 0 HE2 LYS A 435 19.843 6.412 2.968 1.00 52.21 H new ATOM 0 HE3 LYS A 435 21.175 5.586 3.751 1.00 52.21 H new ATOM 0 HZ1 LYS A 435 22.098 7.494 2.800 1.00 64.31 H new ATOM 0 HZ2 LYS A 435 22.536 6.252 1.729 1.00 64.31 H new ATOM 0 HZ3 LYS A 435 21.262 7.302 1.335 1.00 64.31 H new ATOM 337 N PRO A 436 16.234 2.538 -0.341 1.00 54.40 N ATOM 338 CA PRO A 436 15.592 1.240 -0.568 1.00 31.25 C ATOM 339 C PRO A 436 14.679 1.251 -1.788 1.00 75.32 C ATOM 340 O PRO A 436 14.501 2.283 -2.435 1.00 51.33 O ATOM 341 CB PRO A 436 14.777 1.018 0.708 1.00 20.23 C ATOM 342 CG PRO A 436 14.512 2.388 1.232 1.00 25.51 C ATOM 343 CD PRO A 436 15.715 3.212 0.863 1.00 73.24 C ATOM 0 HA PRO A 436 16.321 0.454 -0.766 1.00 31.25 H new ATOM 0 HB2 PRO A 436 13.848 0.488 0.497 1.00 20.23 H new ATOM 0 HB3 PRO A 436 15.329 0.418 1.431 1.00 20.23 H new ATOM 0 HG2 PRO A 436 13.605 2.804 0.795 1.00 25.51 H new ATOM 0 HG3 PRO A 436 14.367 2.371 2.312 1.00 25.51 H new ATOM 0 HD2 PRO A 436 15.445 4.248 0.659 1.00 73.24 H new ATOM 0 HD3 PRO A 436 16.453 3.227 1.665 1.00 73.24 H new ATOM 351 N LEU A 437 14.099 0.096 -2.098 1.00 60.12 N ATOM 352 CA LEU A 437 13.202 -0.028 -3.242 1.00 20.30 C ATOM 353 C LEU A 437 12.288 -1.239 -3.090 1.00 32.13 C ATOM 354 O LEU A 437 11.861 -1.836 -4.078 1.00 1.13 O ATOM 355 CB LEU A 437 14.008 -0.143 -4.538 1.00 30.23 C ATOM 356 CG LEU A 437 15.173 -1.134 -4.517 1.00 53.12 C ATOM 357 CD1 LEU A 437 14.659 -2.563 -4.598 1.00 15.24 C ATOM 358 CD2 LEU A 437 16.136 -0.847 -5.659 1.00 61.41 C ATOM 0 H LEU A 437 14.234 -0.768 -1.573 1.00 60.12 H new ATOM 0 HA LEU A 437 12.583 0.868 -3.284 1.00 20.30 H new ATOM 0 HB2 LEU A 437 13.329 -0.428 -5.341 1.00 30.23 H new ATOM 0 HB3 LEU A 437 14.400 0.843 -4.788 1.00 30.23 H new ATOM 0 HG LEU A 437 15.710 -1.015 -3.576 1.00 53.12 H new ATOM 0 HD11 LEU A 437 15.502 -3.254 -4.582 1.00 15.24 H new ATOM 0 HD12 LEU A 437 14.008 -2.764 -3.747 1.00 15.24 H new ATOM 0 HD13 LEU A 437 14.098 -2.696 -5.523 1.00 15.24 H new ATOM 0 HD21 LEU A 437 16.959 -1.561 -5.629 1.00 61.41 H new ATOM 0 HD22 LEU A 437 15.611 -0.938 -6.610 1.00 61.41 H new ATOM 0 HD23 LEU A 437 16.530 0.164 -5.558 1.00 61.41 H new ATOM 370 N SER A 438 11.991 -1.596 -1.844 1.00 71.42 N ATOM 371 CA SER A 438 11.129 -2.737 -1.561 1.00 72.23 C ATOM 372 C SER A 438 9.893 -2.304 -0.779 1.00 14.00 C ATOM 373 O SER A 438 9.829 -1.186 -0.265 1.00 61.52 O ATOM 374 CB SER A 438 11.897 -3.801 -0.774 1.00 34.54 C ATOM 375 OG SER A 438 13.274 -3.783 -1.103 1.00 4.44 O ATOM 0 H SER A 438 12.335 -1.111 -1.015 1.00 71.42 H new ATOM 0 HA SER A 438 10.806 -3.161 -2.512 1.00 72.23 H new ATOM 0 HB2 SER A 438 11.773 -3.627 0.295 1.00 34.54 H new ATOM 0 HB3 SER A 438 11.482 -4.786 -0.987 1.00 34.54 H new ATOM 0 HG SER A 438 13.743 -4.471 -0.586 1.00 4.44 H new ATOM 381 N ASP A 439 8.912 -3.195 -0.693 1.00 32.50 N ATOM 382 CA ASP A 439 7.676 -2.907 0.027 1.00 31.23 C ATOM 383 C ASP A 439 7.747 -3.431 1.457 1.00 12.42 C ATOM 384 O ASP A 439 6.719 -3.677 2.090 1.00 25.54 O ATOM 385 CB ASP A 439 6.481 -3.527 -0.699 1.00 4.44 C ATOM 386 CG ASP A 439 6.740 -4.959 -1.123 1.00 3.50 C ATOM 387 OD1 ASP A 439 7.047 -5.791 -0.244 1.00 74.33 O ATOM 388 OD2 ASP A 439 6.639 -5.247 -2.334 1.00 35.13 O ATOM 0 H ASP A 439 8.948 -4.124 -1.113 1.00 32.50 H new ATOM 0 HA ASP A 439 7.548 -1.825 0.061 1.00 31.23 H new ATOM 0 HB2 ASP A 439 5.608 -3.497 -0.047 1.00 4.44 H new ATOM 0 HB3 ASP A 439 6.243 -2.928 -1.578 1.00 4.44 H new ATOM 393 N SER A 440 8.965 -3.601 1.962 1.00 52.13 N ATOM 394 CA SER A 440 9.169 -4.101 3.316 1.00 12.32 C ATOM 395 C SER A 440 8.884 -3.011 4.346 1.00 64.51 C ATOM 396 O SER A 440 8.481 -3.296 5.473 1.00 33.44 O ATOM 397 CB SER A 440 10.600 -4.614 3.483 1.00 43.32 C ATOM 398 OG SER A 440 10.861 -5.694 2.604 1.00 60.33 O ATOM 0 H SER A 440 9.826 -3.400 1.453 1.00 52.13 H new ATOM 0 HA SER A 440 8.474 -4.924 3.481 1.00 12.32 H new ATOM 0 HB2 SER A 440 11.304 -3.805 3.289 1.00 43.32 H new ATOM 0 HB3 SER A 440 10.757 -4.934 4.513 1.00 43.32 H new ATOM 0 HG SER A 440 11.783 -6.002 2.729 1.00 60.33 H new ATOM 404 N LYS A 441 9.096 -1.761 3.949 1.00 23.34 N ATOM 405 CA LYS A 441 8.862 -0.627 4.835 1.00 42.10 C ATOM 406 C LYS A 441 7.368 -0.369 5.005 1.00 4.21 C ATOM 407 O LYS A 441 6.865 -0.291 6.127 1.00 43.41 O ATOM 408 CB LYS A 441 9.547 0.626 4.285 1.00 42.23 C ATOM 409 CG LYS A 441 10.657 1.154 5.178 1.00 61.25 C ATOM 410 CD LYS A 441 11.551 2.133 4.435 1.00 12.55 C ATOM 411 CE LYS A 441 12.927 2.229 5.077 1.00 33.05 C ATOM 412 NZ LYS A 441 13.419 3.633 5.130 1.00 44.12 N ATOM 0 H LYS A 441 9.430 -1.508 3.019 1.00 23.34 H new ATOM 0 HA LYS A 441 9.285 -0.867 5.811 1.00 42.10 H new ATOM 0 HB2 LYS A 441 9.959 0.402 3.301 1.00 42.23 H new ATOM 0 HB3 LYS A 441 8.800 1.408 4.148 1.00 42.23 H new ATOM 0 HG2 LYS A 441 10.222 1.645 6.049 1.00 61.25 H new ATOM 0 HG3 LYS A 441 11.255 0.321 5.547 1.00 61.25 H new ATOM 0 HD2 LYS A 441 11.654 1.817 3.397 1.00 12.55 H new ATOM 0 HD3 LYS A 441 11.084 3.118 4.424 1.00 12.55 H new ATOM 0 HE2 LYS A 441 12.886 1.821 6.087 1.00 33.05 H new ATOM 0 HE3 LYS A 441 13.633 1.618 4.515 1.00 33.05 H new ATOM 0 HZ1 LYS A 441 14.142 3.720 5.872 1.00 44.12 H new ATOM 0 HZ2 LYS A 441 13.833 3.891 4.211 1.00 44.12 H new ATOM 0 HZ3 LYS A 441 12.626 4.271 5.343 1.00 44.12 H new ATOM 426 N LEU A 442 6.664 -0.238 3.886 1.00 1.02 N ATOM 427 CA LEU A 442 5.226 0.009 3.912 1.00 43.22 C ATOM 428 C LEU A 442 4.503 -1.061 4.722 1.00 24.51 C ATOM 429 O LEU A 442 3.586 -0.764 5.487 1.00 54.53 O ATOM 430 CB LEU A 442 4.671 0.049 2.487 1.00 1.44 C ATOM 431 CG LEU A 442 5.101 -1.094 1.567 1.00 40.32 C ATOM 432 CD1 LEU A 442 4.094 -2.230 1.620 1.00 73.21 C ATOM 433 CD2 LEU A 442 5.269 -0.593 0.139 1.00 24.54 C ATOM 0 H LEU A 442 7.065 -0.299 2.950 1.00 1.02 H new ATOM 0 HA LEU A 442 5.057 0.974 4.389 1.00 43.22 H new ATOM 0 HB2 LEU A 442 3.582 0.054 2.542 1.00 1.44 H new ATOM 0 HB3 LEU A 442 4.971 0.991 2.028 1.00 1.44 H new ATOM 0 HG LEU A 442 6.062 -1.473 1.914 1.00 40.32 H new ATOM 0 HD11 LEU A 442 4.417 -3.034 0.959 1.00 73.21 H new ATOM 0 HD12 LEU A 442 4.023 -2.606 2.641 1.00 73.21 H new ATOM 0 HD13 LEU A 442 3.118 -1.866 1.299 1.00 73.21 H new ATOM 0 HD21 LEU A 442 5.575 -1.419 -0.503 1.00 24.54 H new ATOM 0 HD22 LEU A 442 4.322 -0.188 -0.218 1.00 24.54 H new ATOM 0 HD23 LEU A 442 6.030 0.187 0.114 1.00 24.54 H new ATOM 445 N THR A 443 4.925 -2.311 4.551 1.00 11.15 N ATOM 446 CA THR A 443 4.319 -3.427 5.267 1.00 22.22 C ATOM 447 C THR A 443 4.911 -3.571 6.664 1.00 43.31 C ATOM 448 O THR A 443 4.353 -4.259 7.518 1.00 14.11 O ATOM 449 CB THR A 443 4.506 -4.752 4.504 1.00 1.12 C ATOM 450 OG1 THR A 443 3.736 -5.787 5.124 1.00 43.02 O ATOM 451 CG2 THR A 443 5.973 -5.154 4.471 1.00 63.41 C ATOM 0 H THR A 443 5.684 -2.575 3.923 1.00 11.15 H new ATOM 0 HA THR A 443 3.254 -3.209 5.347 1.00 22.22 H new ATOM 0 HB THR A 443 4.162 -4.608 3.480 1.00 1.12 H new ATOM 0 HG1 THR A 443 3.555 -5.546 6.057 1.00 43.02 H new ATOM 0 HG21 THR A 443 6.081 -6.092 3.927 1.00 63.41 H new ATOM 0 HG22 THR A 443 6.552 -4.377 3.972 1.00 63.41 H new ATOM 0 HG23 THR A 443 6.338 -5.281 5.490 1.00 63.41 H new ATOM 459 N SER A 444 6.046 -2.916 6.891 1.00 2.24 N ATOM 460 CA SER A 444 6.715 -2.974 8.185 1.00 43.52 C ATOM 461 C SER A 444 5.748 -2.630 9.313 1.00 13.11 C ATOM 462 O SER A 444 5.699 -3.317 10.335 1.00 12.52 O ATOM 463 CB SER A 444 7.907 -2.013 8.209 1.00 14.33 C ATOM 464 OG SER A 444 8.998 -2.572 8.921 1.00 72.24 O ATOM 0 H SER A 444 6.521 -2.340 6.196 1.00 2.24 H new ATOM 0 HA SER A 444 7.074 -3.992 8.336 1.00 43.52 H new ATOM 0 HB2 SER A 444 8.214 -1.783 7.189 1.00 14.33 H new ATOM 0 HB3 SER A 444 7.610 -1.072 8.672 1.00 14.33 H new ATOM 0 HG SER A 444 9.747 -1.940 8.921 1.00 72.24 H new ATOM 470 N LEU A 445 4.979 -1.564 9.122 1.00 45.34 N ATOM 471 CA LEU A 445 4.013 -1.127 10.123 1.00 75.43 C ATOM 472 C LEU A 445 3.091 -2.275 10.527 1.00 62.14 C ATOM 473 O LEU A 445 2.654 -2.360 11.674 1.00 31.01 O ATOM 474 CB LEU A 445 3.184 0.041 9.585 1.00 24.02 C ATOM 475 CG LEU A 445 3.501 1.416 10.174 1.00 10.31 C ATOM 476 CD1 LEU A 445 3.165 2.514 9.178 1.00 4.03 C ATOM 477 CD2 LEU A 445 2.744 1.625 11.477 1.00 11.10 C ATOM 0 H LEU A 445 5.006 -0.986 8.282 1.00 45.34 H new ATOM 0 HA LEU A 445 4.564 -0.799 11.004 1.00 75.43 H new ATOM 0 HB2 LEU A 445 3.321 0.090 8.505 1.00 24.02 H new ATOM 0 HB3 LEU A 445 2.131 -0.175 9.764 1.00 24.02 H new ATOM 0 HG LEU A 445 4.569 1.462 10.386 1.00 10.31 H new ATOM 0 HD11 LEU A 445 3.397 3.485 9.615 1.00 4.03 H new ATOM 0 HD12 LEU A 445 3.753 2.374 8.271 1.00 4.03 H new ATOM 0 HD13 LEU A 445 2.104 2.471 8.933 1.00 4.03 H new ATOM 0 HD21 LEU A 445 2.982 2.609 11.882 1.00 11.10 H new ATOM 0 HD22 LEU A 445 1.672 1.559 11.290 1.00 11.10 H new ATOM 0 HD23 LEU A 445 3.035 0.857 12.194 1.00 11.10 H new ATOM 489 N LEU A 446 2.803 -3.156 9.576 1.00 71.12 N ATOM 490 CA LEU A 446 1.936 -4.301 9.831 1.00 15.25 C ATOM 491 C LEU A 446 2.736 -5.479 10.379 1.00 13.35 C ATOM 492 O LEU A 446 2.190 -6.356 11.049 1.00 1.00 O ATOM 493 CB LEU A 446 1.210 -4.714 8.550 1.00 64.01 C ATOM 494 CG LEU A 446 -0.226 -4.211 8.399 1.00 41.32 C ATOM 495 CD1 LEU A 446 -0.820 -4.681 7.080 1.00 20.35 C ATOM 496 CD2 LEU A 446 -1.080 -4.678 9.568 1.00 31.22 C ATOM 0 H LEU A 446 3.157 -3.100 8.621 1.00 71.12 H new ATOM 0 HA LEU A 446 1.199 -4.007 10.578 1.00 15.25 H new ATOM 0 HB2 LEU A 446 1.789 -4.359 7.698 1.00 64.01 H new ATOM 0 HB3 LEU A 446 1.200 -5.803 8.497 1.00 64.01 H new ATOM 0 HG LEU A 446 -0.211 -3.121 8.399 1.00 41.32 H new ATOM 0 HD11 LEU A 446 -1.842 -4.314 6.990 1.00 20.35 H new ATOM 0 HD12 LEU A 446 -0.222 -4.296 6.254 1.00 20.35 H new ATOM 0 HD13 LEU A 446 -0.822 -5.771 7.050 1.00 20.35 H new ATOM 0 HD21 LEU A 446 -2.099 -4.311 9.444 1.00 31.22 H new ATOM 0 HD22 LEU A 446 -1.088 -5.767 9.600 1.00 31.22 H new ATOM 0 HD23 LEU A 446 -0.666 -4.291 10.499 1.00 31.22 H new ATOM 508 N SER A 447 4.033 -5.491 10.092 1.00 60.25 N ATOM 509 CA SER A 447 4.909 -6.562 10.553 1.00 43.40 C ATOM 510 C SER A 447 5.303 -6.349 12.012 1.00 71.41 C ATOM 511 O SER A 447 5.916 -7.217 12.632 1.00 73.31 O ATOM 512 CB SER A 447 6.163 -6.635 9.680 1.00 63.23 C ATOM 513 OG SER A 447 6.623 -7.971 9.560 1.00 2.24 O ATOM 0 H SER A 447 4.501 -4.771 9.542 1.00 60.25 H new ATOM 0 HA SER A 447 4.365 -7.503 10.474 1.00 43.40 H new ATOM 0 HB2 SER A 447 5.946 -6.231 8.691 1.00 63.23 H new ATOM 0 HB3 SER A 447 6.948 -6.014 10.112 1.00 63.23 H new ATOM 0 HG SER A 447 7.424 -7.992 8.996 1.00 2.24 H new ATOM 519 N GLU A 448 4.946 -5.188 12.552 1.00 70.45 N ATOM 520 CA GLU A 448 5.263 -4.862 13.937 1.00 24.02 C ATOM 521 C GLU A 448 4.714 -5.924 14.885 1.00 2.53 C ATOM 522 O GLU A 448 5.268 -6.156 15.960 1.00 31.02 O ATOM 523 CB GLU A 448 4.694 -3.490 14.304 1.00 34.34 C ATOM 524 CG GLU A 448 5.660 -2.344 14.058 1.00 52.25 C ATOM 525 CD GLU A 448 6.646 -2.157 15.195 1.00 53.24 C ATOM 526 OE1 GLU A 448 6.209 -2.163 16.365 1.00 53.55 O ATOM 527 OE2 GLU A 448 7.852 -2.004 14.915 1.00 65.00 O ATOM 0 H GLU A 448 4.438 -4.459 12.052 1.00 70.45 H new ATOM 0 HA GLU A 448 6.348 -4.836 14.039 1.00 24.02 H new ATOM 0 HB2 GLU A 448 3.785 -3.317 13.728 1.00 34.34 H new ATOM 0 HB3 GLU A 448 4.409 -3.494 15.356 1.00 34.34 H new ATOM 0 HG2 GLU A 448 6.208 -2.528 13.134 1.00 52.25 H new ATOM 0 HG3 GLU A 448 5.096 -1.422 13.916 1.00 52.25 H new ATOM 534 N GLN A 449 3.623 -6.563 14.481 1.00 73.14 N ATOM 535 CA GLN A 449 2.998 -7.600 15.295 1.00 53.43 C ATOM 536 C GLN A 449 3.161 -8.971 14.649 1.00 1.15 C ATOM 537 O GLN A 449 3.422 -9.961 15.331 1.00 32.43 O ATOM 538 CB GLN A 449 1.512 -7.292 15.497 1.00 2.31 C ATOM 539 CG GLN A 449 1.071 -5.980 14.867 1.00 25.51 C ATOM 540 CD GLN A 449 1.642 -4.770 15.579 1.00 74.13 C ATOM 541 OE1 GLN A 449 2.235 -4.889 16.651 1.00 43.44 O ATOM 542 NE2 GLN A 449 1.465 -3.596 14.985 1.00 53.13 N ATOM 0 H GLN A 449 3.152 -6.382 13.595 1.00 73.14 H new ATOM 0 HA GLN A 449 3.495 -7.614 16.265 1.00 53.43 H new ATOM 0 HB2 GLN A 449 0.921 -8.105 15.075 1.00 2.31 H new ATOM 0 HB3 GLN A 449 1.298 -7.263 16.565 1.00 2.31 H new ATOM 0 HG2 GLN A 449 1.380 -5.961 13.822 1.00 25.51 H new ATOM 0 HG3 GLN A 449 -0.017 -5.924 14.879 1.00 25.51 H new ATOM 0 HE21 GLN A 449 0.967 -3.544 14.096 1.00 53.13 H new ATOM 0 HE22 GLN A 449 1.827 -2.746 15.417 1.00 53.13 H new ATOM 551 N GLY A 450 3.007 -9.022 13.330 1.00 72.00 N ATOM 552 CA GLY A 450 3.141 -10.278 12.615 1.00 42.20 C ATOM 553 C GLY A 450 2.511 -10.231 11.237 1.00 10.31 C ATOM 554 O GLY A 450 2.871 -11.012 10.356 1.00 22.33 O ATOM 0 H GLY A 450 2.792 -8.216 12.743 1.00 72.00 H new ATOM 0 HA2 GLY A 450 4.198 -10.527 12.520 1.00 42.20 H new ATOM 0 HA3 GLY A 450 2.677 -11.075 13.196 1.00 42.20 H new ATOM 558 N ILE A 451 1.569 -9.313 11.049 1.00 13.35 N ATOM 559 CA ILE A 451 0.888 -9.168 9.769 1.00 12.20 C ATOM 560 C ILE A 451 1.871 -8.806 8.662 1.00 24.13 C ATOM 561 O ILE A 451 2.804 -8.032 8.875 1.00 1.00 O ATOM 562 CB ILE A 451 -0.213 -8.093 9.835 1.00 1.44 C ATOM 563 CG1 ILE A 451 -1.280 -8.485 10.859 1.00 11.04 C ATOM 564 CG2 ILE A 451 -0.837 -7.888 8.463 1.00 31.34 C ATOM 565 CD1 ILE A 451 -2.551 -7.673 10.750 1.00 45.35 C ATOM 0 H ILE A 451 1.260 -8.658 11.768 1.00 13.35 H new ATOM 0 HA ILE A 451 0.430 -10.131 9.544 1.00 12.20 H new ATOM 0 HB ILE A 451 0.238 -7.152 10.151 1.00 1.44 H new ATOM 0 HG12 ILE A 451 -1.521 -9.541 10.734 1.00 11.04 H new ATOM 0 HG13 ILE A 451 -0.869 -8.369 11.862 1.00 11.04 H new ATOM 0 HG21 ILE A 451 -1.613 -7.125 8.527 1.00 31.34 H new ATOM 0 HG22 ILE A 451 -0.070 -7.567 7.759 1.00 31.34 H new ATOM 0 HG23 ILE A 451 -1.276 -8.825 8.119 1.00 31.34 H new ATOM 0 HD11 ILE A 451 -3.261 -8.006 11.507 1.00 45.35 H new ATOM 0 HD12 ILE A 451 -2.323 -6.618 10.905 1.00 45.35 H new ATOM 0 HD13 ILE A 451 -2.986 -7.809 9.760 1.00 45.35 H new ATOM 577 N MET A 452 1.654 -9.370 7.478 1.00 54.40 N ATOM 578 CA MET A 452 2.520 -9.103 6.336 1.00 62.45 C ATOM 579 C MET A 452 1.782 -9.355 5.024 1.00 61.14 C ATOM 580 O MET A 452 1.978 -10.385 4.378 1.00 53.32 O ATOM 581 CB MET A 452 3.774 -9.978 6.404 1.00 42.33 C ATOM 582 CG MET A 452 3.478 -11.446 6.661 1.00 13.21 C ATOM 583 SD MET A 452 4.442 -12.544 5.604 1.00 32.31 S ATOM 584 CE MET A 452 4.765 -13.899 6.729 1.00 32.25 C ATOM 0 H MET A 452 0.887 -10.014 7.285 1.00 54.40 H new ATOM 0 HA MET A 452 2.814 -8.054 6.372 1.00 62.45 H new ATOM 0 HB2 MET A 452 4.323 -9.885 5.467 1.00 42.33 H new ATOM 0 HB3 MET A 452 4.426 -9.604 7.193 1.00 42.33 H new ATOM 0 HG2 MET A 452 3.687 -11.677 7.705 1.00 13.21 H new ATOM 0 HG3 MET A 452 2.416 -11.632 6.500 1.00 13.21 H new ATOM 0 HE1 MET A 452 5.354 -14.662 6.220 1.00 32.25 H new ATOM 0 HE2 MET A 452 5.317 -13.530 7.593 1.00 32.25 H new ATOM 0 HE3 MET A 452 3.820 -14.331 7.059 1.00 32.25 H new ATOM 594 N VAL A 453 0.933 -8.408 4.636 1.00 24.05 N ATOM 595 CA VAL A 453 0.167 -8.527 3.402 1.00 63.24 C ATOM 596 C VAL A 453 0.489 -7.385 2.444 1.00 30.41 C ATOM 597 O VAL A 453 0.643 -7.596 1.241 1.00 11.33 O ATOM 598 CB VAL A 453 -1.348 -8.538 3.681 1.00 43.15 C ATOM 599 CG1 VAL A 453 -1.821 -9.946 4.005 1.00 63.33 C ATOM 600 CG2 VAL A 453 -1.688 -7.579 4.811 1.00 12.23 C ATOM 0 H VAL A 453 0.759 -7.550 5.159 1.00 24.05 H new ATOM 0 HA VAL A 453 0.451 -9.474 2.942 1.00 63.24 H new ATOM 0 HB VAL A 453 -1.868 -8.204 2.783 1.00 43.15 H new ATOM 0 HG11 VAL A 453 -2.893 -9.934 4.199 1.00 63.33 H new ATOM 0 HG12 VAL A 453 -1.612 -10.603 3.161 1.00 63.33 H new ATOM 0 HG13 VAL A 453 -1.297 -10.312 4.888 1.00 63.33 H new ATOM 0 HG21 VAL A 453 -2.762 -7.599 4.995 1.00 12.23 H new ATOM 0 HG22 VAL A 453 -1.159 -7.880 5.715 1.00 12.23 H new ATOM 0 HG23 VAL A 453 -1.386 -6.569 4.534 1.00 12.23 H new ATOM 610 N ALA A 454 0.588 -6.176 2.985 1.00 51.30 N ATOM 611 CA ALA A 454 0.894 -5.001 2.179 1.00 53.43 C ATOM 612 C ALA A 454 2.091 -5.254 1.270 1.00 61.51 C ATOM 613 O ALA A 454 2.192 -4.681 0.185 1.00 1.41 O ATOM 614 CB ALA A 454 1.155 -3.799 3.075 1.00 23.24 C ATOM 0 H ALA A 454 0.461 -5.984 3.979 1.00 51.30 H new ATOM 0 HA ALA A 454 0.030 -4.790 1.548 1.00 53.43 H new ATOM 0 HB1 ALA A 454 1.382 -2.929 2.459 1.00 23.24 H new ATOM 0 HB2 ALA A 454 0.270 -3.596 3.678 1.00 23.24 H new ATOM 0 HB3 ALA A 454 2.000 -4.010 3.730 1.00 23.24 H new ATOM 620 N ARG A 455 2.997 -6.118 1.719 1.00 41.34 N ATOM 621 CA ARG A 455 4.189 -6.446 0.945 1.00 52.40 C ATOM 622 C ARG A 455 3.824 -6.788 -0.496 1.00 72.35 C ATOM 623 O ARG A 455 4.194 -6.073 -1.427 1.00 11.41 O ATOM 624 CB ARG A 455 4.932 -7.619 1.587 1.00 54.32 C ATOM 625 CG ARG A 455 4.019 -8.596 2.311 1.00 12.20 C ATOM 626 CD ARG A 455 4.434 -10.037 2.060 1.00 41.13 C ATOM 627 NE ARG A 455 3.283 -10.933 1.988 1.00 3.31 N ATOM 628 CZ ARG A 455 3.385 -12.246 1.815 1.00 33.12 C ATOM 629 NH1 ARG A 455 4.577 -12.813 1.696 1.00 5.24 N ATOM 630 NH2 ARG A 455 2.290 -12.996 1.760 1.00 63.23 N ATOM 0 H ARG A 455 2.928 -6.603 2.614 1.00 41.34 H new ATOM 0 HA ARG A 455 4.840 -5.572 0.939 1.00 52.40 H new ATOM 0 HB2 ARG A 455 5.484 -8.155 0.815 1.00 54.32 H new ATOM 0 HB3 ARG A 455 5.667 -7.230 2.292 1.00 54.32 H new ATOM 0 HG2 ARG A 455 4.041 -8.391 3.381 1.00 12.20 H new ATOM 0 HG3 ARG A 455 2.991 -8.449 1.979 1.00 12.20 H new ATOM 0 HD2 ARG A 455 4.997 -10.095 1.129 1.00 41.13 H new ATOM 0 HD3 ARG A 455 5.101 -10.366 2.857 1.00 41.13 H new ATOM 0 HE ARG A 455 2.351 -10.529 2.075 1.00 3.31 H new ATOM 0 HH11 ARG A 455 5.420 -12.241 1.737 1.00 5.24 H new ATOM 0 HH12 ARG A 455 4.651 -13.822 1.563 1.00 5.24 H new ATOM 0 HH21 ARG A 455 1.371 -12.564 1.851 1.00 63.23 H new ATOM 0 HH22 ARG A 455 2.369 -14.004 1.627 1.00 63.23 H new ATOM 644 N ARG A 456 3.097 -7.887 -0.673 1.00 24.24 N ATOM 645 CA ARG A 456 2.685 -8.325 -2.000 1.00 74.53 C ATOM 646 C ARG A 456 1.387 -7.639 -2.421 1.00 3.22 C ATOM 647 O ARG A 456 1.144 -7.421 -3.607 1.00 71.54 O ATOM 648 CB ARG A 456 2.502 -9.844 -2.026 1.00 14.03 C ATOM 649 CG ARG A 456 1.162 -10.305 -1.477 1.00 53.30 C ATOM 650 CD ARG A 456 0.109 -10.387 -2.572 1.00 64.10 C ATOM 651 NE ARG A 456 -0.122 -11.761 -3.007 1.00 21.51 N ATOM 652 CZ ARG A 456 -1.016 -12.100 -3.929 1.00 11.01 C ATOM 653 NH1 ARG A 456 -1.760 -11.168 -4.510 1.00 11.30 N ATOM 654 NH2 ARG A 456 -1.168 -13.373 -4.272 1.00 40.21 N ATOM 0 H ARG A 456 2.782 -8.490 0.087 1.00 24.24 H new ATOM 0 HA ARG A 456 3.468 -8.048 -2.705 1.00 74.53 H new ATOM 0 HB2 ARG A 456 2.605 -10.196 -3.052 1.00 14.03 H new ATOM 0 HB3 ARG A 456 3.301 -10.308 -1.448 1.00 14.03 H new ATOM 0 HG2 ARG A 456 1.277 -11.282 -1.007 1.00 53.30 H new ATOM 0 HG3 ARG A 456 0.829 -9.616 -0.701 1.00 53.30 H new ATOM 0 HD2 ARG A 456 -0.826 -9.960 -2.209 1.00 64.10 H new ATOM 0 HD3 ARG A 456 0.425 -9.785 -3.424 1.00 64.10 H new ATOM 0 HE ARG A 456 0.434 -12.502 -2.579 1.00 21.51 H new ATOM 0 HH11 ARG A 456 -1.646 -10.189 -4.249 1.00 11.30 H new ATOM 0 HH12 ARG A 456 -2.446 -11.431 -5.218 1.00 11.30 H new ATOM 0 HH21 ARG A 456 -0.598 -14.093 -3.827 1.00 40.21 H new ATOM 0 HH22 ARG A 456 -1.855 -13.632 -4.980 1.00 40.21 H new ATOM 668 N THR A 457 0.558 -7.299 -1.439 1.00 22.44 N ATOM 669 CA THR A 457 -0.713 -6.641 -1.705 1.00 52.33 C ATOM 670 C THR A 457 -0.501 -5.276 -2.350 1.00 0.45 C ATOM 671 O THR A 457 -0.912 -5.043 -3.487 1.00 32.13 O ATOM 672 CB THR A 457 -1.536 -6.463 -0.415 1.00 75.42 C ATOM 673 OG1 THR A 457 -2.002 -7.737 0.047 1.00 55.22 O ATOM 674 CG2 THR A 457 -2.722 -5.541 -0.652 1.00 50.52 C ATOM 0 H THR A 457 0.746 -7.469 -0.451 1.00 22.44 H new ATOM 0 HA THR A 457 -1.263 -7.284 -2.392 1.00 52.33 H new ATOM 0 HB THR A 457 -0.892 -6.014 0.341 1.00 75.42 H new ATOM 0 HG1 THR A 457 -1.312 -8.156 0.602 1.00 55.22 H new ATOM 0 HG21 THR A 457 -3.288 -5.431 0.273 1.00 50.52 H new ATOM 0 HG22 THR A 457 -2.364 -4.564 -0.977 1.00 50.52 H new ATOM 0 HG23 THR A 457 -3.365 -5.966 -1.422 1.00 50.52 H new ATOM 682 N VAL A 458 0.146 -4.374 -1.617 1.00 21.20 N ATOM 683 CA VAL A 458 0.415 -3.032 -2.118 1.00 40.24 C ATOM 684 C VAL A 458 1.028 -3.079 -3.513 1.00 21.14 C ATOM 685 O VAL A 458 0.659 -2.300 -4.391 1.00 42.42 O ATOM 686 CB VAL A 458 1.362 -2.262 -1.179 1.00 4.31 C ATOM 687 CG1 VAL A 458 1.689 -0.893 -1.755 1.00 13.42 C ATOM 688 CG2 VAL A 458 0.749 -2.134 0.208 1.00 23.31 C ATOM 0 H VAL A 458 0.493 -4.549 -0.674 1.00 21.20 H new ATOM 0 HA VAL A 458 -0.542 -2.513 -2.162 1.00 40.24 H new ATOM 0 HB VAL A 458 2.292 -2.823 -1.090 1.00 4.31 H new ATOM 0 HG11 VAL A 458 2.359 -0.364 -1.078 1.00 13.42 H new ATOM 0 HG12 VAL A 458 2.173 -1.012 -2.724 1.00 13.42 H new ATOM 0 HG13 VAL A 458 0.770 -0.320 -1.876 1.00 13.42 H new ATOM 0 HG21 VAL A 458 1.432 -1.587 0.858 1.00 23.31 H new ATOM 0 HG22 VAL A 458 -0.196 -1.596 0.140 1.00 23.31 H new ATOM 0 HG23 VAL A 458 0.572 -3.127 0.621 1.00 23.31 H new ATOM 698 N ALA A 459 1.967 -3.999 -3.710 1.00 62.53 N ATOM 699 CA ALA A 459 2.630 -4.150 -5.000 1.00 33.34 C ATOM 700 C ALA A 459 1.629 -4.508 -6.093 1.00 72.32 C ATOM 701 O ALA A 459 1.627 -3.908 -7.168 1.00 21.31 O ATOM 702 CB ALA A 459 3.720 -5.208 -4.911 1.00 61.22 C ATOM 0 H ALA A 459 2.286 -4.651 -2.993 1.00 62.53 H new ATOM 0 HA ALA A 459 3.086 -3.195 -5.261 1.00 33.34 H new ATOM 0 HB1 ALA A 459 4.207 -5.311 -5.881 1.00 61.22 H new ATOM 0 HB2 ALA A 459 4.456 -4.910 -4.165 1.00 61.22 H new ATOM 0 HB3 ALA A 459 3.278 -6.162 -4.624 1.00 61.22 H new ATOM 708 N LYS A 460 0.779 -5.490 -5.811 1.00 53.23 N ATOM 709 CA LYS A 460 -0.228 -5.929 -6.771 1.00 15.50 C ATOM 710 C LYS A 460 -1.118 -4.765 -7.196 1.00 40.13 C ATOM 711 O LYS A 460 -1.704 -4.783 -8.279 1.00 21.04 O ATOM 712 CB LYS A 460 -1.084 -7.045 -6.167 1.00 44.13 C ATOM 713 CG LYS A 460 -2.410 -6.560 -5.607 1.00 42.43 C ATOM 714 CD LYS A 460 -3.495 -6.552 -6.671 1.00 51.25 C ATOM 715 CE LYS A 460 -4.600 -7.546 -6.347 1.00 64.21 C ATOM 716 NZ LYS A 460 -4.231 -8.933 -6.744 1.00 74.12 N ATOM 0 H LYS A 460 0.767 -5.997 -4.926 1.00 53.23 H new ATOM 0 HA LYS A 460 0.287 -6.310 -7.653 1.00 15.50 H new ATOM 0 HB2 LYS A 460 -1.276 -7.798 -6.931 1.00 44.13 H new ATOM 0 HB3 LYS A 460 -0.521 -7.534 -5.372 1.00 44.13 H new ATOM 0 HG2 LYS A 460 -2.714 -7.203 -4.781 1.00 42.43 H new ATOM 0 HG3 LYS A 460 -2.289 -5.555 -5.202 1.00 42.43 H new ATOM 0 HD2 LYS A 460 -3.918 -5.551 -6.754 1.00 51.25 H new ATOM 0 HD3 LYS A 460 -3.058 -6.795 -7.640 1.00 51.25 H new ATOM 0 HE2 LYS A 460 -4.812 -7.518 -5.278 1.00 64.21 H new ATOM 0 HE3 LYS A 460 -5.515 -7.252 -6.861 1.00 64.21 H new ATOM 0 HZ1 LYS A 460 -5.009 -9.581 -6.507 1.00 74.12 H new ATOM 0 HZ2 LYS A 460 -4.053 -8.965 -7.768 1.00 74.12 H new ATOM 0 HZ3 LYS A 460 -3.372 -9.223 -6.234 1.00 74.12 H new ATOM 730 N TYR A 461 -1.212 -3.755 -6.339 1.00 54.03 N ATOM 731 CA TYR A 461 -2.031 -2.582 -6.626 1.00 33.50 C ATOM 732 C TYR A 461 -1.317 -1.643 -7.593 1.00 73.31 C ATOM 733 O TYR A 461 -1.952 -0.841 -8.278 1.00 40.22 O ATOM 734 CB TYR A 461 -2.368 -1.841 -5.332 1.00 13.31 C ATOM 735 CG TYR A 461 -3.694 -2.246 -4.728 1.00 22.54 C ATOM 736 CD1 TYR A 461 -3.813 -3.418 -3.989 1.00 53.12 C ATOM 737 CD2 TYR A 461 -4.826 -1.459 -4.896 1.00 32.35 C ATOM 738 CE1 TYR A 461 -5.022 -3.793 -3.436 1.00 63.34 C ATOM 739 CE2 TYR A 461 -6.039 -1.826 -4.344 1.00 62.05 C ATOM 740 CZ TYR A 461 -6.131 -2.994 -3.616 1.00 75.43 C ATOM 741 OH TYR A 461 -7.338 -3.364 -3.067 1.00 12.03 O ATOM 0 H TYR A 461 -0.732 -3.724 -5.440 1.00 54.03 H new ATOM 0 HA TYR A 461 -2.955 -2.921 -7.094 1.00 33.50 H new ATOM 0 HB2 TYR A 461 -1.577 -2.021 -4.604 1.00 13.31 H new ATOM 0 HB3 TYR A 461 -2.381 -0.769 -5.530 1.00 13.31 H new ATOM 0 HD1 TYR A 461 -2.946 -4.045 -3.845 1.00 53.12 H new ATOM 0 HD2 TYR A 461 -4.757 -0.545 -5.467 1.00 32.35 H new ATOM 0 HE1 TYR A 461 -5.098 -4.707 -2.866 1.00 63.34 H new ATOM 0 HE2 TYR A 461 -6.910 -1.202 -4.482 1.00 62.05 H new ATOM 0 HH TYR A 461 -8.017 -2.692 -3.286 1.00 12.03 H new ATOM 751 N ARG A 462 0.006 -1.751 -7.644 1.00 44.43 N ATOM 752 CA ARG A 462 0.807 -0.911 -8.526 1.00 63.42 C ATOM 753 C ARG A 462 0.268 -0.952 -9.954 1.00 32.03 C ATOM 754 O ARG A 462 0.387 0.019 -10.700 1.00 14.25 O ATOM 755 CB ARG A 462 2.268 -1.364 -8.509 1.00 22.50 C ATOM 756 CG ARG A 462 2.567 -2.495 -9.481 1.00 51.24 C ATOM 757 CD ARG A 462 3.877 -3.189 -9.142 1.00 33.11 C ATOM 758 NE ARG A 462 3.935 -4.542 -9.688 1.00 22.44 N ATOM 759 CZ ARG A 462 5.054 -5.253 -9.772 1.00 23.22 C ATOM 760 NH1 ARG A 462 6.201 -4.741 -9.348 1.00 21.30 N ATOM 761 NH2 ARG A 462 5.027 -6.478 -10.281 1.00 64.15 N ATOM 0 H ARG A 462 0.546 -2.412 -7.085 1.00 44.43 H new ATOM 0 HA ARG A 462 0.747 0.115 -8.162 1.00 63.42 H new ATOM 0 HB2 ARG A 462 2.906 -0.513 -8.748 1.00 22.50 H new ATOM 0 HB3 ARG A 462 2.528 -1.685 -7.500 1.00 22.50 H new ATOM 0 HG2 ARG A 462 1.753 -3.220 -9.459 1.00 51.24 H new ATOM 0 HG3 ARG A 462 2.615 -2.101 -10.496 1.00 51.24 H new ATOM 0 HD2 ARG A 462 4.709 -2.604 -9.533 1.00 33.11 H new ATOM 0 HD3 ARG A 462 3.997 -3.229 -8.059 1.00 33.11 H new ATOM 0 HE ARG A 462 3.069 -4.964 -10.023 1.00 22.44 H new ATOM 0 HH11 ARG A 462 6.225 -3.799 -8.956 1.00 21.30 H new ATOM 0 HH12 ARG A 462 7.059 -5.289 -9.413 1.00 21.30 H new ATOM 0 HH21 ARG A 462 4.146 -6.875 -10.608 1.00 64.15 H new ATOM 0 HH22 ARG A 462 5.887 -7.023 -10.345 1.00 64.15 H new ATOM 775 N GLU A 463 -0.324 -2.083 -10.325 1.00 53.41 N ATOM 776 CA GLU A 463 -0.881 -2.249 -11.662 1.00 22.35 C ATOM 777 C GLU A 463 -2.099 -1.352 -11.861 1.00 62.23 C ATOM 778 O GLU A 463 -2.289 -0.775 -12.931 1.00 74.21 O ATOM 779 CB GLU A 463 -1.266 -3.712 -11.900 1.00 2.32 C ATOM 780 CG GLU A 463 -0.102 -4.678 -11.764 1.00 64.12 C ATOM 781 CD GLU A 463 -0.414 -6.050 -12.327 1.00 64.02 C ATOM 782 OE1 GLU A 463 -1.486 -6.598 -11.999 1.00 10.33 O ATOM 783 OE2 GLU A 463 0.416 -6.577 -13.099 1.00 42.24 O ATOM 0 H GLU A 463 -0.430 -2.897 -9.719 1.00 53.41 H new ATOM 0 HA GLU A 463 -0.117 -1.959 -12.384 1.00 22.35 H new ATOM 0 HB2 GLU A 463 -2.045 -3.994 -11.192 1.00 2.32 H new ATOM 0 HB3 GLU A 463 -1.693 -3.809 -12.898 1.00 2.32 H new ATOM 0 HG2 GLU A 463 0.768 -4.268 -12.278 1.00 64.12 H new ATOM 0 HG3 GLU A 463 0.165 -4.773 -10.712 1.00 64.12 H new ATOM 790 N SER A 464 -2.921 -1.241 -10.822 1.00 23.24 N ATOM 791 CA SER A 464 -4.122 -0.418 -10.883 1.00 33.15 C ATOM 792 C SER A 464 -3.768 1.044 -11.137 1.00 52.20 C ATOM 793 O SER A 464 -4.197 1.637 -12.128 1.00 23.41 O ATOM 794 CB SER A 464 -4.918 -0.543 -9.582 1.00 44.33 C ATOM 795 OG SER A 464 -6.291 -0.266 -9.795 1.00 75.41 O ATOM 0 H SER A 464 -2.777 -1.711 -9.928 1.00 23.24 H new ATOM 0 HA SER A 464 -4.734 -0.774 -11.712 1.00 33.15 H new ATOM 0 HB2 SER A 464 -4.805 -1.549 -9.178 1.00 44.33 H new ATOM 0 HB3 SER A 464 -4.516 0.145 -8.839 1.00 44.33 H new ATOM 0 HG SER A 464 -6.778 -0.354 -8.949 1.00 75.41 H new ATOM 801 N LEU A 465 -2.981 1.621 -10.234 1.00 71.22 N ATOM 802 CA LEU A 465 -2.567 3.014 -10.359 1.00 34.45 C ATOM 803 C LEU A 465 -1.932 3.274 -11.721 1.00 34.41 C ATOM 804 O LEU A 465 -2.190 4.298 -12.352 1.00 63.35 O ATOM 805 CB LEU A 465 -1.582 3.375 -9.246 1.00 51.33 C ATOM 806 CG LEU A 465 -2.013 3.013 -7.825 1.00 24.53 C ATOM 807 CD1 LEU A 465 -1.237 1.804 -7.325 1.00 30.53 C ATOM 808 CD2 LEU A 465 -1.818 4.196 -6.889 1.00 42.30 C ATOM 0 H LEU A 465 -2.617 1.145 -9.408 1.00 71.22 H new ATOM 0 HA LEU A 465 -3.454 3.641 -10.268 1.00 34.45 H new ATOM 0 HB2 LEU A 465 -0.633 2.880 -9.454 1.00 51.33 H new ATOM 0 HB3 LEU A 465 -1.397 4.448 -9.286 1.00 51.33 H new ATOM 0 HG LEU A 465 -3.073 2.760 -7.842 1.00 24.53 H new ATOM 0 HD11 LEU A 465 -1.557 1.560 -6.312 1.00 30.53 H new ATOM 0 HD12 LEU A 465 -1.427 0.954 -7.980 1.00 30.53 H new ATOM 0 HD13 LEU A 465 -0.171 2.031 -7.325 1.00 30.53 H new ATOM 0 HD21 LEU A 465 -2.130 3.919 -5.882 1.00 42.30 H new ATOM 0 HD22 LEU A 465 -0.766 4.481 -6.877 1.00 42.30 H new ATOM 0 HD23 LEU A 465 -2.418 5.037 -7.236 1.00 42.30 H new ATOM 820 N SER A 466 -1.101 2.338 -12.168 1.00 60.32 N ATOM 821 CA SER A 466 -0.427 2.466 -13.455 1.00 21.22 C ATOM 822 C SER A 466 0.224 3.838 -13.593 1.00 65.22 C ATOM 823 O SER A 466 -0.021 4.560 -14.560 1.00 34.42 O ATOM 824 CB SER A 466 -1.419 2.242 -14.599 1.00 52.42 C ATOM 825 OG SER A 466 -2.295 3.347 -14.737 1.00 11.53 O ATOM 0 H SER A 466 -0.878 1.483 -11.658 1.00 60.32 H new ATOM 0 HA SER A 466 0.353 1.706 -13.506 1.00 21.22 H new ATOM 0 HB2 SER A 466 -0.875 2.086 -15.531 1.00 52.42 H new ATOM 0 HB3 SER A 466 -1.997 1.337 -14.412 1.00 52.42 H new ATOM 0 HG SER A 466 -2.113 3.999 -14.028 1.00 11.53 H new ATOM 831 N ILE A 467 1.056 4.191 -12.619 1.00 2.44 N ATOM 832 CA ILE A 467 1.745 5.475 -12.631 1.00 54.31 C ATOM 833 C ILE A 467 3.171 5.330 -13.151 1.00 72.01 C ATOM 834 O ILE A 467 3.742 4.240 -13.174 1.00 71.35 O ATOM 835 CB ILE A 467 1.785 6.107 -11.226 1.00 75.34 C ATOM 836 CG1 ILE A 467 3.152 5.878 -10.580 1.00 52.41 C ATOM 837 CG2 ILE A 467 0.678 5.531 -10.356 1.00 61.42 C ATOM 838 CD1 ILE A 467 3.463 4.420 -10.323 1.00 34.34 C ATOM 0 H ILE A 467 1.269 3.605 -11.811 1.00 2.44 H new ATOM 0 HA ILE A 467 1.182 6.128 -13.298 1.00 54.31 H new ATOM 0 HB ILE A 467 1.624 7.181 -11.321 1.00 75.34 H new ATOM 0 HG12 ILE A 467 3.924 6.298 -11.225 1.00 52.41 H new ATOM 0 HG13 ILE A 467 3.194 6.422 -9.636 1.00 52.41 H new ATOM 0 HG21 ILE A 467 0.719 5.987 -9.367 1.00 61.42 H new ATOM 0 HG22 ILE A 467 -0.289 5.740 -10.812 1.00 61.42 H new ATOM 0 HG23 ILE A 467 0.811 4.453 -10.265 1.00 61.42 H new ATOM 0 HD11 ILE A 467 4.448 4.333 -9.864 1.00 34.34 H new ATOM 0 HD12 ILE A 467 2.712 4.000 -9.653 1.00 34.34 H new ATOM 0 HD13 ILE A 467 3.453 3.874 -11.266 1.00 34.34 H new ATOM 850 N PRO A 468 3.763 6.456 -13.578 1.00 11.31 N ATOM 851 CA PRO A 468 5.131 6.480 -14.104 1.00 14.52 C ATOM 852 C PRO A 468 6.173 6.228 -13.020 1.00 33.41 C ATOM 853 O PRO A 468 6.374 7.039 -12.117 1.00 11.53 O ATOM 854 CB PRO A 468 5.271 7.900 -14.660 1.00 2.04 C ATOM 855 CG PRO A 468 4.293 8.710 -13.882 1.00 21.25 C ATOM 856 CD PRO A 468 3.142 7.791 -13.580 1.00 23.40 C ATOM 0 HA PRO A 468 5.297 5.698 -14.845 1.00 14.52 H new ATOM 0 HB2 PRO A 468 6.286 8.276 -14.533 1.00 2.04 H new ATOM 0 HB3 PRO A 468 5.050 7.931 -15.727 1.00 2.04 H new ATOM 0 HG2 PRO A 468 4.742 9.088 -12.964 1.00 21.25 H new ATOM 0 HG3 PRO A 468 3.961 9.576 -14.454 1.00 21.25 H new ATOM 0 HD2 PRO A 468 2.684 8.023 -12.618 1.00 23.40 H new ATOM 0 HD3 PRO A 468 2.358 7.868 -14.333 1.00 23.40 H new ATOM 864 N PRO A 469 6.853 5.075 -13.109 1.00 33.44 N ATOM 865 CA PRO A 469 7.887 4.689 -12.144 1.00 20.43 C ATOM 866 C PRO A 469 9.140 5.550 -12.261 1.00 61.22 C ATOM 867 O PRO A 469 9.283 6.330 -13.202 1.00 70.44 O ATOM 868 CB PRO A 469 8.199 3.238 -12.520 1.00 35.42 C ATOM 869 CG PRO A 469 7.832 3.132 -13.960 1.00 65.10 C ATOM 870 CD PRO A 469 6.665 4.060 -14.159 1.00 64.23 C ATOM 0 HA PRO A 469 7.551 4.815 -11.115 1.00 20.43 H new ATOM 0 HB2 PRO A 469 9.252 3.006 -12.362 1.00 35.42 H new ATOM 0 HB3 PRO A 469 7.624 2.539 -11.912 1.00 35.42 H new ATOM 0 HG2 PRO A 469 8.669 3.415 -14.598 1.00 65.10 H new ATOM 0 HG3 PRO A 469 7.565 2.108 -14.220 1.00 65.10 H new ATOM 0 HD2 PRO A 469 6.671 4.505 -15.154 1.00 64.23 H new ATOM 0 HD3 PRO A 469 5.714 3.539 -14.049 1.00 64.23 H new ATOM 878 N SER A 470 10.045 5.403 -11.300 1.00 1.45 N ATOM 879 CA SER A 470 11.284 6.171 -11.293 1.00 4.23 C ATOM 880 C SER A 470 12.413 5.386 -11.954 1.00 41.34 C ATOM 881 O SER A 470 13.589 5.702 -11.780 1.00 42.40 O ATOM 882 CB SER A 470 11.675 6.538 -9.860 1.00 1.14 C ATOM 883 OG SER A 470 12.449 7.724 -9.830 1.00 4.15 O ATOM 0 H SER A 470 9.944 4.759 -10.516 1.00 1.45 H new ATOM 0 HA SER A 470 11.118 7.086 -11.862 1.00 4.23 H new ATOM 0 HB2 SER A 470 10.776 6.671 -9.257 1.00 1.14 H new ATOM 0 HB3 SER A 470 12.240 5.720 -9.413 1.00 1.14 H new ATOM 0 HG SER A 470 13.210 7.634 -10.441 1.00 4.15 H new ATOM 889 N ASN A 471 12.046 4.359 -12.714 1.00 54.51 N ATOM 890 CA ASN A 471 13.026 3.528 -13.402 1.00 73.14 C ATOM 891 C ASN A 471 13.776 2.641 -12.414 1.00 34.44 C ATOM 892 O ASN A 471 13.613 1.421 -12.413 1.00 25.30 O ATOM 893 CB ASN A 471 14.016 4.403 -14.173 1.00 64.52 C ATOM 894 CG ASN A 471 14.685 3.655 -15.310 1.00 60.32 C ATOM 895 OD1 ASN A 471 15.803 3.158 -15.170 1.00 73.42 O ATOM 896 ND2 ASN A 471 14.001 3.572 -16.446 1.00 72.40 N ATOM 0 H ASN A 471 11.076 4.083 -12.869 1.00 54.51 H new ATOM 0 HA ASN A 471 12.493 2.888 -14.105 1.00 73.14 H new ATOM 0 HB2 ASN A 471 13.494 5.273 -14.571 1.00 64.52 H new ATOM 0 HB3 ASN A 471 14.778 4.775 -13.488 1.00 64.52 H new ATOM 0 HD21 ASN A 471 14.400 3.081 -17.247 1.00 72.40 H new ATOM 0 HD22 ASN A 471 13.077 3.999 -16.518 1.00 72.40 H new ATOM 903 N GLN A 472 14.596 3.262 -11.572 1.00 51.21 N ATOM 904 CA GLN A 472 15.370 2.529 -10.579 1.00 3.13 C ATOM 905 C GLN A 472 14.512 2.184 -9.366 1.00 5.13 C ATOM 906 O GLN A 472 14.982 1.549 -8.422 1.00 10.44 O ATOM 907 CB GLN A 472 16.586 3.349 -10.142 1.00 62.43 C ATOM 908 CG GLN A 472 16.231 4.551 -9.281 1.00 65.43 C ATOM 909 CD GLN A 472 17.457 5.269 -8.749 1.00 72.23 C ATOM 910 OE1 GLN A 472 18.407 5.529 -9.487 1.00 23.00 O ATOM 911 NE2 GLN A 472 17.440 5.592 -7.461 1.00 71.41 N ATOM 0 H GLN A 472 14.741 4.272 -11.558 1.00 51.21 H new ATOM 0 HA GLN A 472 15.712 1.600 -11.035 1.00 3.13 H new ATOM 0 HB2 GLN A 472 17.269 2.704 -9.588 1.00 62.43 H new ATOM 0 HB3 GLN A 472 17.120 3.692 -11.028 1.00 62.43 H new ATOM 0 HG2 GLN A 472 15.631 5.248 -9.866 1.00 65.43 H new ATOM 0 HG3 GLN A 472 15.614 4.224 -8.444 1.00 65.43 H new ATOM 0 HE21 GLN A 472 16.631 5.356 -6.887 1.00 71.41 H new ATOM 0 HE22 GLN A 472 18.236 6.076 -7.046 1.00 71.41 H new ATOM 920 N ARG A 473 13.253 2.608 -9.398 1.00 21.13 N ATOM 921 CA ARG A 473 12.330 2.345 -8.300 1.00 64.05 C ATOM 922 C ARG A 473 12.257 0.851 -7.998 1.00 55.43 C ATOM 923 O ARG A 473 11.903 0.448 -6.890 1.00 23.23 O ATOM 924 CB ARG A 473 10.936 2.877 -8.639 1.00 24.12 C ATOM 925 CG ARG A 473 10.607 4.196 -7.960 1.00 1.35 C ATOM 926 CD ARG A 473 9.865 3.978 -6.650 1.00 62.42 C ATOM 927 NE ARG A 473 8.570 3.336 -6.855 1.00 54.22 N ATOM 928 CZ ARG A 473 7.885 2.739 -5.887 1.00 31.32 C ATOM 929 NH1 ARG A 473 8.370 2.700 -4.653 1.00 74.11 N ATOM 930 NH2 ARG A 473 6.711 2.177 -6.151 1.00 23.03 N ATOM 0 H ARG A 473 12.849 3.135 -10.172 1.00 21.13 H new ATOM 0 HA ARG A 473 12.702 2.860 -7.414 1.00 64.05 H new ATOM 0 HB2 ARG A 473 10.857 3.004 -9.719 1.00 24.12 H new ATOM 0 HB3 ARG A 473 10.193 2.134 -8.351 1.00 24.12 H new ATOM 0 HG2 ARG A 473 11.527 4.749 -7.771 1.00 1.35 H new ATOM 0 HG3 ARG A 473 9.999 4.808 -8.626 1.00 1.35 H new ATOM 0 HD2 ARG A 473 10.473 3.363 -5.987 1.00 62.42 H new ATOM 0 HD3 ARG A 473 9.720 4.937 -6.152 1.00 62.42 H new ATOM 0 HE ARG A 473 8.170 3.347 -7.793 1.00 54.22 H new ATOM 0 HH11 ARG A 473 9.272 3.129 -4.446 1.00 74.11 H new ATOM 0 HH12 ARG A 473 7.841 2.241 -3.912 1.00 74.11 H new ATOM 0 HH21 ARG A 473 6.334 2.204 -7.099 1.00 23.03 H new ATOM 0 HH22 ARG A 473 6.186 1.719 -5.406 1.00 23.03 H new ATOM 944 N LYS A 474 12.591 0.034 -8.991 1.00 43.15 N ATOM 945 CA LYS A 474 12.564 -1.415 -8.833 1.00 11.10 C ATOM 946 C LYS A 474 13.804 -2.053 -9.451 1.00 60.01 C ATOM 947 O LYS A 474 13.700 -2.885 -10.352 1.00 32.11 O ATOM 948 CB LYS A 474 11.304 -1.995 -9.477 1.00 14.25 C ATOM 949 CG LYS A 474 10.868 -3.320 -8.876 1.00 65.50 C ATOM 950 CD LYS A 474 10.193 -4.206 -9.910 1.00 23.43 C ATOM 951 CE LYS A 474 10.231 -5.670 -9.499 1.00 72.42 C ATOM 952 NZ LYS A 474 9.508 -5.906 -8.218 1.00 40.25 N ATOM 0 H LYS A 474 12.884 0.351 -9.915 1.00 43.15 H new ATOM 0 HA LYS A 474 12.555 -1.639 -7.766 1.00 11.10 H new ATOM 0 HB2 LYS A 474 10.491 -1.276 -9.377 1.00 14.25 H new ATOM 0 HB3 LYS A 474 11.481 -2.130 -10.544 1.00 14.25 H new ATOM 0 HG2 LYS A 474 11.735 -3.836 -8.463 1.00 65.50 H new ATOM 0 HG3 LYS A 474 10.182 -3.137 -8.049 1.00 65.50 H new ATOM 0 HD2 LYS A 474 9.158 -3.890 -10.041 1.00 23.43 H new ATOM 0 HD3 LYS A 474 10.688 -4.084 -10.874 1.00 23.43 H new ATOM 0 HE2 LYS A 474 9.785 -6.279 -10.285 1.00 72.42 H new ATOM 0 HE3 LYS A 474 11.267 -5.991 -9.396 1.00 72.42 H new ATOM 0 HZ1 LYS A 474 9.290 -6.919 -8.124 1.00 40.25 H new ATOM 0 HZ2 LYS A 474 10.105 -5.605 -7.422 1.00 40.25 H new ATOM 0 HZ3 LYS A 474 8.623 -5.360 -8.213 1.00 40.25 H new ATOM 966 N GLN A 475 14.974 -1.658 -8.962 1.00 0.23 N ATOM 967 CA GLN A 475 16.233 -2.193 -9.467 1.00 14.14 C ATOM 968 C GLN A 475 16.447 -3.626 -8.990 1.00 15.44 C ATOM 969 O GLN A 475 15.923 -4.030 -7.951 1.00 53.42 O ATOM 970 CB GLN A 475 17.402 -1.314 -9.018 1.00 73.11 C ATOM 971 CG GLN A 475 17.697 -0.163 -9.966 1.00 11.12 C ATOM 972 CD GLN A 475 19.028 -0.315 -10.673 1.00 21.41 C ATOM 973 OE1 GLN A 475 20.051 -0.586 -10.043 1.00 42.24 O ATOM 974 NE2 GLN A 475 19.023 -0.143 -11.990 1.00 51.31 N ATOM 0 H GLN A 475 15.077 -0.969 -8.217 1.00 0.23 H new ATOM 0 HA GLN A 475 16.186 -2.195 -10.556 1.00 14.14 H new ATOM 0 HB2 GLN A 475 17.184 -0.912 -8.028 1.00 73.11 H new ATOM 0 HB3 GLN A 475 18.295 -1.932 -8.922 1.00 73.11 H new ATOM 0 HG2 GLN A 475 16.902 -0.096 -10.708 1.00 11.12 H new ATOM 0 HG3 GLN A 475 17.692 0.773 -9.407 1.00 11.12 H new ATOM 0 HE21 GLN A 475 18.152 0.081 -12.472 1.00 51.31 H new ATOM 0 HE22 GLN A 475 19.890 -0.235 -12.520 1.00 51.31 H new ATOM 983 N LEU A 476 17.217 -4.390 -9.755 1.00 24.42 N ATOM 984 CA LEU A 476 17.500 -5.780 -9.411 1.00 53.22 C ATOM 985 C LEU A 476 18.150 -5.878 -8.034 1.00 54.02 C ATOM 986 O LEU A 476 18.846 -4.961 -7.597 1.00 20.02 O ATOM 987 CB LEU A 476 18.413 -6.411 -10.463 1.00 72.34 C ATOM 988 CG LEU A 476 17.731 -7.333 -11.477 1.00 4.44 C ATOM 989 CD1 LEU A 476 18.462 -7.293 -12.809 1.00 75.31 C ATOM 990 CD2 LEU A 476 17.668 -8.756 -10.942 1.00 74.14 C ATOM 0 H LEU A 476 17.657 -4.071 -10.618 1.00 24.42 H new ATOM 0 HA LEU A 476 16.555 -6.322 -9.387 1.00 53.22 H new ATOM 0 HB2 LEU A 476 18.913 -5.611 -11.008 1.00 72.34 H new ATOM 0 HB3 LEU A 476 19.188 -6.979 -9.949 1.00 72.34 H new ATOM 0 HG LEU A 476 16.712 -6.980 -11.635 1.00 4.44 H new ATOM 0 HD11 LEU A 476 17.963 -7.954 -13.518 1.00 75.31 H new ATOM 0 HD12 LEU A 476 18.456 -6.274 -13.197 1.00 75.31 H new ATOM 0 HD13 LEU A 476 19.492 -7.622 -12.669 1.00 75.31 H new ATOM 0 HD21 LEU A 476 17.180 -9.399 -11.675 1.00 74.14 H new ATOM 0 HD22 LEU A 476 18.678 -9.120 -10.756 1.00 74.14 H new ATOM 0 HD23 LEU A 476 17.100 -8.770 -10.012 1.00 74.14 H new ATOM 1002 N VAL A 477 17.917 -6.997 -7.355 1.00 24.35 N ATOM 1003 CA VAL A 477 18.482 -7.218 -6.029 1.00 42.13 C ATOM 1004 C VAL A 477 18.712 -8.703 -5.770 1.00 12.52 C ATOM 1005 O VAL A 477 18.229 -9.555 -6.514 1.00 71.12 O ATOM 1006 CB VAL A 477 17.567 -6.650 -4.928 1.00 3.25 C ATOM 1007 CG1 VAL A 477 17.536 -5.131 -4.990 1.00 11.30 C ATOM 1008 CG2 VAL A 477 16.165 -7.227 -5.052 1.00 52.11 C ATOM 0 H VAL A 477 17.341 -7.764 -7.701 1.00 24.35 H new ATOM 0 HA VAL A 477 19.438 -6.696 -6.001 1.00 42.13 H new ATOM 0 HB VAL A 477 17.970 -6.941 -3.958 1.00 3.25 H new ATOM 0 HG11 VAL A 477 16.884 -4.748 -4.205 1.00 11.30 H new ATOM 0 HG12 VAL A 477 18.544 -4.740 -4.848 1.00 11.30 H new ATOM 0 HG13 VAL A 477 17.158 -4.814 -5.962 1.00 11.30 H new ATOM 0 HG21 VAL A 477 15.531 -6.815 -4.266 1.00 52.11 H new ATOM 0 HG22 VAL A 477 15.750 -6.968 -6.026 1.00 52.11 H new ATOM 0 HG23 VAL A 477 16.208 -8.312 -4.952 1.00 52.11 H new ATOM 1018 N ALA A 478 19.452 -9.004 -4.708 1.00 11.44 N ATOM 1019 CA ALA A 478 19.743 -10.386 -4.347 1.00 61.13 C ATOM 1020 C ALA A 478 19.762 -10.567 -2.833 1.00 11.02 C ATOM 1021 O ALA A 478 20.635 -11.241 -2.290 1.00 63.23 O ATOM 1022 CB ALA A 478 21.072 -10.819 -4.948 1.00 72.13 C ATOM 0 H ALA A 478 19.861 -8.310 -4.083 1.00 11.44 H new ATOM 0 HA ALA A 478 18.950 -11.015 -4.752 1.00 61.13 H new ATOM 0 HB1 ALA A 478 21.277 -11.853 -4.671 1.00 72.13 H new ATOM 0 HB2 ALA A 478 21.024 -10.737 -6.034 1.00 72.13 H new ATOM 0 HB3 ALA A 478 21.868 -10.177 -4.571 1.00 72.13 H new ATOM 1028 N ASN A 479 18.792 -9.959 -2.158 1.00 10.20 N ATOM 1029 CA ASN A 479 18.698 -10.052 -0.705 1.00 0.02 C ATOM 1030 C ASN A 479 17.705 -11.134 -0.292 1.00 73.15 C ATOM 1031 O ASN A 479 17.841 -11.745 0.767 1.00 73.41 O ATOM 1032 CB ASN A 479 18.277 -8.705 -0.113 1.00 31.21 C ATOM 1033 CG ASN A 479 19.436 -7.971 0.533 1.00 30.41 C ATOM 1034 OD1 ASN A 479 20.432 -7.662 -0.121 1.00 12.42 O ATOM 1035 ND2 ASN A 479 19.310 -7.690 1.825 1.00 41.53 N ATOM 0 H ASN A 479 18.060 -9.397 -2.593 1.00 10.20 H new ATOM 0 HA ASN A 479 19.681 -10.320 -0.319 1.00 0.02 H new ATOM 0 HB2 ASN A 479 17.849 -8.083 -0.899 1.00 31.21 H new ATOM 0 HB3 ASN A 479 17.494 -8.865 0.628 1.00 31.21 H new ATOM 0 HD21 ASN A 479 20.057 -7.198 2.315 1.00 41.53 H new ATOM 0 HD22 ASN A 479 18.466 -7.966 2.327 1.00 41.53 H new ATOM 1042 N SER A 480 16.705 -11.366 -1.138 1.00 3.02 N ATOM 1043 CA SER A 480 15.686 -12.372 -0.861 1.00 1.31 C ATOM 1044 C SER A 480 16.163 -13.758 -1.283 1.00 21.25 C ATOM 1045 O SER A 480 15.751 -14.769 -0.714 1.00 14.14 O ATOM 1046 CB SER A 480 14.385 -12.024 -1.586 1.00 62.41 C ATOM 1047 OG SER A 480 14.500 -12.256 -2.979 1.00 2.11 O ATOM 0 H SER A 480 16.579 -10.871 -2.021 1.00 3.02 H new ATOM 0 HA SER A 480 15.502 -12.382 0.213 1.00 1.31 H new ATOM 0 HB2 SER A 480 13.568 -12.621 -1.181 1.00 62.41 H new ATOM 0 HB3 SER A 480 14.134 -10.978 -1.408 1.00 62.41 H new ATOM 0 HG SER A 480 13.655 -12.028 -3.420 1.00 2.11 H new ATOM 1053 N SER A 481 17.034 -13.797 -2.286 1.00 20.45 N ATOM 1054 CA SER A 481 17.564 -15.059 -2.789 1.00 61.00 C ATOM 1055 C SER A 481 18.163 -15.887 -1.655 1.00 52.44 C ATOM 1056 O SER A 481 17.906 -17.085 -1.545 1.00 35.05 O ATOM 1057 CB SER A 481 18.624 -14.800 -3.861 1.00 31.40 C ATOM 1058 OG SER A 481 19.563 -15.860 -3.917 1.00 11.40 O ATOM 0 H SER A 481 17.388 -12.970 -2.766 1.00 20.45 H new ATOM 0 HA SER A 481 16.741 -15.621 -3.230 1.00 61.00 H new ATOM 0 HB2 SER A 481 18.143 -14.685 -4.832 1.00 31.40 H new ATOM 0 HB3 SER A 481 19.140 -13.864 -3.648 1.00 31.40 H new ATOM 0 HG SER A 481 20.229 -15.671 -4.611 1.00 11.40 H new ATOM 1064 N SER A 482 18.964 -15.237 -0.816 1.00 34.40 N ATOM 1065 CA SER A 482 19.603 -15.913 0.307 1.00 24.13 C ATOM 1066 C SER A 482 18.560 -16.489 1.259 1.00 31.13 C ATOM 1067 O SER A 482 18.775 -17.532 1.877 1.00 32.14 O ATOM 1068 CB SER A 482 20.518 -14.944 1.059 1.00 73.43 C ATOM 1069 OG SER A 482 21.402 -15.641 1.920 1.00 72.04 O ATOM 0 H SER A 482 19.186 -14.244 -0.893 1.00 34.40 H new ATOM 0 HA SER A 482 20.201 -16.734 -0.088 1.00 24.13 H new ATOM 0 HB2 SER A 482 21.092 -14.353 0.345 1.00 73.43 H new ATOM 0 HB3 SER A 482 19.915 -14.246 1.640 1.00 73.43 H new ATOM 0 HG SER A 482 21.977 -15.000 2.388 1.00 72.04 H new ATOM 1075 N VAL A 483 17.428 -15.801 1.374 1.00 64.21 N ATOM 1076 CA VAL A 483 16.350 -16.244 2.250 1.00 43.53 C ATOM 1077 C VAL A 483 15.571 -17.395 1.624 1.00 2.13 C ATOM 1078 O VAL A 483 15.314 -17.402 0.420 1.00 74.11 O ATOM 1079 CB VAL A 483 15.377 -15.092 2.567 1.00 63.44 C ATOM 1080 CG1 VAL A 483 14.315 -15.547 3.557 1.00 22.43 C ATOM 1081 CG2 VAL A 483 16.135 -13.887 3.102 1.00 34.12 C ATOM 0 H VAL A 483 17.234 -14.935 0.871 1.00 64.21 H new ATOM 0 HA VAL A 483 16.813 -16.585 3.176 1.00 43.53 H new ATOM 0 HB VAL A 483 14.877 -14.797 1.644 1.00 63.44 H new ATOM 0 HG11 VAL A 483 13.637 -14.720 3.769 1.00 22.43 H new ATOM 0 HG12 VAL A 483 13.752 -16.378 3.131 1.00 22.43 H new ATOM 0 HG13 VAL A 483 14.794 -15.870 4.482 1.00 22.43 H new ATOM 0 HG21 VAL A 483 15.432 -13.083 3.321 1.00 34.12 H new ATOM 0 HG22 VAL A 483 16.663 -14.165 4.014 1.00 34.12 H new ATOM 0 HG23 VAL A 483 16.853 -13.548 2.355 1.00 34.12 H new ATOM 1091 N ASP A 484 15.198 -18.367 2.450 1.00 44.03 N ATOM 1092 CA ASP A 484 14.446 -19.524 1.978 1.00 2.21 C ATOM 1093 C ASP A 484 15.220 -20.271 0.897 1.00 25.41 C ATOM 1094 O ASP A 484 14.761 -20.395 -0.239 1.00 11.42 O ATOM 1095 CB ASP A 484 13.084 -19.088 1.437 1.00 33.00 C ATOM 1096 CG ASP A 484 12.147 -20.259 1.216 1.00 62.43 C ATOM 1097 OD1 ASP A 484 12.025 -21.103 2.129 1.00 70.41 O ATOM 1098 OD2 ASP A 484 11.534 -20.332 0.130 1.00 63.11 O ATOM 0 H ASP A 484 15.404 -18.377 3.449 1.00 44.03 H new ATOM 0 HA ASP A 484 14.295 -20.197 2.822 1.00 2.21 H new ATOM 0 HB2 ASP A 484 12.626 -18.387 2.135 1.00 33.00 H new ATOM 0 HB3 ASP A 484 13.224 -18.555 0.496 1.00 33.00 H new ATOM 1103 N LYS A 485 16.399 -20.769 1.257 1.00 13.52 N ATOM 1104 CA LYS A 485 17.238 -21.504 0.320 1.00 65.52 C ATOM 1105 C LYS A 485 17.713 -22.819 0.929 1.00 24.35 C ATOM 1106 O LYS A 485 18.741 -22.867 1.607 1.00 54.42 O ATOM 1107 CB LYS A 485 18.444 -20.656 -0.091 1.00 44.20 C ATOM 1108 CG LYS A 485 19.280 -21.281 -1.195 1.00 74.32 C ATOM 1109 CD LYS A 485 20.767 -21.088 -0.946 1.00 73.42 C ATOM 1110 CE LYS A 485 21.448 -20.423 -2.132 1.00 3.43 C ATOM 1111 NZ LYS A 485 22.009 -21.422 -3.083 1.00 14.11 N ATOM 0 H LYS A 485 16.794 -20.676 2.193 1.00 13.52 H new ATOM 0 HA LYS A 485 16.640 -21.728 -0.564 1.00 65.52 H new ATOM 0 HB2 LYS A 485 18.094 -19.678 -0.421 1.00 44.20 H new ATOM 0 HB3 LYS A 485 19.075 -20.491 0.782 1.00 44.20 H new ATOM 0 HG2 LYS A 485 19.057 -22.346 -1.263 1.00 74.32 H new ATOM 0 HG3 LYS A 485 19.010 -20.837 -2.153 1.00 74.32 H new ATOM 0 HD2 LYS A 485 20.912 -20.479 -0.053 1.00 73.42 H new ATOM 0 HD3 LYS A 485 21.233 -22.054 -0.752 1.00 73.42 H new ATOM 0 HE2 LYS A 485 20.731 -19.789 -2.653 1.00 3.43 H new ATOM 0 HE3 LYS A 485 22.247 -19.774 -1.774 1.00 3.43 H new ATOM 0 HZ1 LYS A 485 22.464 -20.928 -3.877 1.00 14.11 H new ATOM 0 HZ2 LYS A 485 22.712 -22.011 -2.593 1.00 14.11 H new ATOM 0 HZ3 LYS A 485 21.243 -22.026 -3.444 1.00 14.11 H new ATOM 1125 N LEU A 486 16.959 -23.886 0.685 1.00 63.12 N ATOM 1126 CA LEU A 486 17.304 -25.203 1.209 1.00 23.14 C ATOM 1127 C LEU A 486 17.425 -26.223 0.082 1.00 5.43 C ATOM 1128 O LEU A 486 17.306 -27.427 0.306 1.00 42.23 O ATOM 1129 CB LEU A 486 16.251 -25.664 2.218 1.00 10.44 C ATOM 1130 CG LEU A 486 14.794 -25.405 1.832 1.00 71.21 C ATOM 1131 CD1 LEU A 486 14.449 -23.934 2.001 1.00 33.10 C ATOM 1132 CD2 LEU A 486 14.534 -25.855 0.402 1.00 34.12 C ATOM 0 H LEU A 486 16.105 -23.865 0.128 1.00 63.12 H new ATOM 0 HA LEU A 486 18.269 -25.126 1.710 1.00 23.14 H new ATOM 0 HB2 LEU A 486 16.378 -26.734 2.382 1.00 10.44 H new ATOM 0 HB3 LEU A 486 16.447 -25.170 3.170 1.00 10.44 H new ATOM 0 HG LEU A 486 14.154 -25.985 2.497 1.00 71.21 H new ATOM 0 HD11 LEU A 486 13.408 -23.770 1.721 1.00 33.10 H new ATOM 0 HD12 LEU A 486 14.595 -23.643 3.041 1.00 33.10 H new ATOM 0 HD13 LEU A 486 15.096 -23.333 1.362 1.00 33.10 H new ATOM 0 HD21 LEU A 486 13.492 -25.663 0.144 1.00 34.12 H new ATOM 0 HD22 LEU A 486 15.184 -25.303 -0.277 1.00 34.12 H new ATOM 0 HD23 LEU A 486 14.739 -26.922 0.313 1.00 34.12 H new ATOM 1144 N ALA A 487 17.666 -25.733 -1.129 1.00 64.24 N ATOM 1145 CA ALA A 487 17.809 -26.602 -2.291 1.00 42.33 C ATOM 1146 C ALA A 487 19.023 -27.514 -2.149 1.00 31.02 C ATOM 1147 O ALA A 487 19.105 -28.558 -2.795 1.00 15.45 O ATOM 1148 CB ALA A 487 17.916 -25.771 -3.561 1.00 62.43 C ATOM 0 H ALA A 487 17.766 -24.738 -1.331 1.00 64.24 H new ATOM 0 HA ALA A 487 16.921 -27.231 -2.355 1.00 42.33 H new ATOM 0 HB1 ALA A 487 18.022 -26.433 -4.421 1.00 62.43 H new ATOM 0 HB2 ALA A 487 17.016 -25.167 -3.677 1.00 62.43 H new ATOM 0 HB3 ALA A 487 18.786 -25.118 -3.496 1.00 62.43 H new ATOM 1154 N ALA A 488 19.962 -27.112 -1.300 1.00 24.01 N ATOM 1155 CA ALA A 488 21.171 -27.894 -1.072 1.00 23.30 C ATOM 1156 C ALA A 488 20.855 -29.191 -0.335 1.00 21.24 C ATOM 1157 O ALA A 488 21.404 -30.246 -0.653 1.00 12.24 O ATOM 1158 CB ALA A 488 22.190 -27.076 -0.292 1.00 61.54 C ATOM 0 H ALA A 488 19.909 -26.249 -0.758 1.00 24.01 H new ATOM 0 HA ALA A 488 21.595 -28.152 -2.042 1.00 23.30 H new ATOM 0 HB1 ALA A 488 23.088 -27.673 -0.129 1.00 61.54 H new ATOM 0 HB2 ALA A 488 22.447 -26.180 -0.857 1.00 61.54 H new ATOM 0 HB3 ALA A 488 21.766 -26.788 0.670 1.00 61.54 H new ATOM 1164 N ALA A 489 19.969 -29.104 0.652 1.00 71.34 N ATOM 1165 CA ALA A 489 19.580 -30.271 1.433 1.00 34.53 C ATOM 1166 C ALA A 489 18.810 -31.273 0.578 1.00 33.13 C ATOM 1167 O ALA A 489 18.854 -32.479 0.826 1.00 34.30 O ATOM 1168 CB ALA A 489 18.745 -29.849 2.633 1.00 3.15 C ATOM 0 H ALA A 489 19.508 -28.238 0.929 1.00 71.34 H new ATOM 0 HA ALA A 489 20.488 -30.758 1.788 1.00 34.53 H new ATOM 0 HB1 ALA A 489 18.462 -30.731 3.207 1.00 3.15 H new ATOM 0 HB2 ALA A 489 19.328 -29.177 3.263 1.00 3.15 H new ATOM 0 HB3 ALA A 489 17.847 -29.336 2.289 1.00 3.15 H new ATOM 1174 N LEU A 490 18.106 -30.766 -0.428 1.00 21.43 N ATOM 1175 CA LEU A 490 17.326 -31.617 -1.320 1.00 32.11 C ATOM 1176 C LEU A 490 18.235 -32.372 -2.285 1.00 32.40 C ATOM 1177 O LEU A 490 17.912 -33.477 -2.720 1.00 24.11 O ATOM 1178 CB LEU A 490 16.316 -30.778 -2.104 1.00 0.43 C ATOM 1179 CG LEU A 490 14.892 -30.746 -1.547 1.00 23.45 C ATOM 1180 CD1 LEU A 490 14.261 -32.128 -1.616 1.00 1.31 C ATOM 1181 CD2 LEU A 490 14.892 -30.229 -0.115 1.00 5.41 C ATOM 0 H LEU A 490 18.059 -29.771 -0.646 1.00 21.43 H new ATOM 0 HA LEU A 490 16.789 -32.344 -0.711 1.00 32.11 H new ATOM 0 HB2 LEU A 490 16.687 -29.754 -2.156 1.00 0.43 H new ATOM 0 HB3 LEU A 490 16.276 -31.155 -3.126 1.00 0.43 H new ATOM 0 HG LEU A 490 14.298 -30.067 -2.158 1.00 23.45 H new ATOM 0 HD11 LEU A 490 13.248 -32.086 -1.215 1.00 1.31 H new ATOM 0 HD12 LEU A 490 14.227 -32.461 -2.653 1.00 1.31 H new ATOM 0 HD13 LEU A 490 14.855 -32.829 -1.029 1.00 1.31 H new ATOM 0 HD21 LEU A 490 13.871 -30.213 0.266 1.00 5.41 H new ATOM 0 HD22 LEU A 490 15.501 -30.884 0.508 1.00 5.41 H new ATOM 0 HD23 LEU A 490 15.304 -29.220 -0.092 1.00 5.41 H new ATOM 1193 N GLU A 491 19.373 -31.768 -2.614 1.00 35.12 N ATOM 1194 CA GLU A 491 20.328 -32.386 -3.527 1.00 10.33 C ATOM 1195 C GLU A 491 21.424 -33.114 -2.755 1.00 31.02 C ATOM 1196 O GLU A 491 22.528 -33.316 -3.264 1.00 2.24 O ATOM 1197 CB GLU A 491 20.949 -31.328 -4.441 1.00 3.34 C ATOM 1198 CG GLU A 491 19.944 -30.646 -5.355 1.00 4.25 C ATOM 1199 CD GLU A 491 20.421 -30.570 -6.792 1.00 23.33 C ATOM 1200 OE1 GLU A 491 20.807 -31.620 -7.346 1.00 61.42 O ATOM 1201 OE2 GLU A 491 20.407 -29.460 -7.363 1.00 64.23 O ATOM 0 H GLU A 491 19.656 -30.853 -2.263 1.00 35.12 H new ATOM 0 HA GLU A 491 19.792 -33.114 -4.137 1.00 10.33 H new ATOM 0 HB2 GLU A 491 21.440 -30.573 -3.827 1.00 3.34 H new ATOM 0 HB3 GLU A 491 21.723 -31.795 -5.050 1.00 3.34 H new ATOM 0 HG2 GLU A 491 18.999 -31.188 -5.318 1.00 4.25 H new ATOM 0 HG3 GLU A 491 19.749 -29.639 -4.987 1.00 4.25 H new ATOM 1208 N HIS A 492 21.112 -33.508 -1.524 1.00 42.34 N ATOM 1209 CA HIS A 492 22.070 -34.215 -0.682 1.00 3.21 C ATOM 1210 C HIS A 492 21.743 -35.704 -0.619 1.00 65.51 C ATOM 1211 O HIS A 492 20.575 -36.092 -0.564 1.00 62.33 O ATOM 1212 CB HIS A 492 22.076 -33.622 0.727 1.00 20.13 C ATOM 1213 CG HIS A 492 23.162 -32.614 0.949 1.00 61.22 C ATOM 1214 ND1 HIS A 492 23.659 -32.306 2.197 1.00 52.02 N ATOM 1215 CD2 HIS A 492 23.847 -31.845 0.072 1.00 61.13 C ATOM 1216 CE1 HIS A 492 24.603 -31.388 2.078 1.00 14.34 C ATOM 1217 NE2 HIS A 492 24.736 -31.091 0.798 1.00 10.04 N ATOM 0 H HIS A 492 20.204 -33.350 -1.088 1.00 42.34 H new ATOM 0 HA HIS A 492 23.060 -34.097 -1.122 1.00 3.21 H new ATOM 0 HB2 HIS A 492 21.111 -33.152 0.919 1.00 20.13 H new ATOM 0 HB3 HIS A 492 22.187 -34.429 1.451 1.00 20.13 H new ATOM 0 HD2 HIS A 492 23.719 -31.827 -1.000 1.00 61.13 H new ATOM 0 HE1 HIS A 492 25.169 -30.955 2.889 1.00 14.34 H new ATOM 0 HE2 HIS A 492 25.392 -30.412 0.412 1.00 10.04 H new ATOM 1225 N HIS A 493 22.781 -36.534 -0.627 1.00 70.32 N ATOM 1226 CA HIS A 493 22.604 -37.981 -0.571 1.00 70.05 C ATOM 1227 C HIS A 493 23.896 -38.670 -0.141 1.00 73.44 C ATOM 1228 O HIS A 493 24.916 -38.581 -0.825 1.00 20.12 O ATOM 1229 CB HIS A 493 22.157 -38.514 -1.933 1.00 0.41 C ATOM 1230 CG HIS A 493 21.725 -39.948 -1.902 1.00 43.11 C ATOM 1231 ND1 HIS A 493 22.568 -40.994 -2.211 1.00 65.43 N ATOM 1232 CD2 HIS A 493 20.532 -40.507 -1.594 1.00 13.21 C ATOM 1233 CE1 HIS A 493 21.912 -42.134 -2.098 1.00 33.34 C ATOM 1234 NE2 HIS A 493 20.674 -41.867 -1.723 1.00 52.54 N ATOM 0 H HIS A 493 23.753 -36.230 -0.672 1.00 70.32 H new ATOM 0 HA HIS A 493 21.833 -38.200 0.168 1.00 70.05 H new ATOM 0 HB2 HIS A 493 21.333 -37.903 -2.301 1.00 0.41 H new ATOM 0 HB3 HIS A 493 22.976 -38.405 -2.643 1.00 0.41 H new ATOM 0 HD2 HIS A 493 19.635 -39.982 -1.301 1.00 13.21 H new ATOM 0 HE1 HIS A 493 22.318 -43.118 -2.281 1.00 33.34 H new ATOM 0 HE2 HIS A 493 19.943 -42.558 -1.556 1.00 52.54 H new ATOM 1242 N HIS A 494 23.844 -39.357 0.995 1.00 10.32 N ATOM 1243 CA HIS A 494 25.010 -40.061 1.517 1.00 74.01 C ATOM 1244 C HIS A 494 24.706 -41.543 1.714 1.00 14.34 C ATOM 1245 O HIS A 494 23.553 -41.930 1.909 1.00 30.40 O ATOM 1246 CB HIS A 494 25.458 -39.439 2.840 1.00 33.42 C ATOM 1247 CG HIS A 494 26.916 -39.626 3.126 1.00 64.12 C ATOM 1248 ND1 HIS A 494 27.871 -38.680 2.817 1.00 51.43 N ATOM 1249 CD2 HIS A 494 27.582 -40.657 3.696 1.00 4.42 C ATOM 1250 CE1 HIS A 494 29.060 -39.121 3.185 1.00 64.15 C ATOM 1251 NE2 HIS A 494 28.913 -40.319 3.721 1.00 13.42 N ATOM 0 H HIS A 494 23.007 -39.441 1.572 1.00 10.32 H new ATOM 0 HA HIS A 494 25.816 -39.967 0.790 1.00 74.01 H new ATOM 0 HB2 HIS A 494 25.233 -38.373 2.825 1.00 33.42 H new ATOM 0 HB3 HIS A 494 24.878 -39.876 3.653 1.00 33.42 H new ATOM 0 HD2 HIS A 494 27.148 -41.575 4.063 1.00 4.42 H new ATOM 0 HE1 HIS A 494 29.994 -38.592 3.068 1.00 64.15 H new ATOM 0 HE2 HIS A 494 29.665 -40.899 4.093 1.00 13.42 H new ATOM 1259 N HIS A 495 25.747 -42.368 1.663 1.00 72.14 N ATOM 1260 CA HIS A 495 25.591 -43.808 1.836 1.00 21.31 C ATOM 1261 C HIS A 495 24.723 -44.397 0.729 1.00 74.21 C ATOM 1262 O HIS A 495 24.322 -43.695 -0.200 1.00 34.52 O ATOM 1263 CB HIS A 495 24.974 -44.114 3.201 1.00 34.34 C ATOM 1264 CG HIS A 495 25.602 -45.285 3.893 1.00 21.24 C ATOM 1265 ND1 HIS A 495 24.869 -46.276 4.512 1.00 2.12 N ATOM 1266 CD2 HIS A 495 26.903 -45.621 4.060 1.00 62.43 C ATOM 1267 CE1 HIS A 495 25.692 -47.170 5.031 1.00 4.31 C ATOM 1268 NE2 HIS A 495 26.932 -46.796 4.771 1.00 54.01 N ATOM 0 H HIS A 495 26.707 -42.064 1.503 1.00 72.14 H new ATOM 0 HA HIS A 495 26.579 -44.265 1.781 1.00 21.31 H new ATOM 0 HB2 HIS A 495 25.066 -43.234 3.838 1.00 34.34 H new ATOM 0 HB3 HIS A 495 23.909 -44.306 3.074 1.00 34.34 H new ATOM 0 HD2 HIS A 495 27.759 -45.068 3.701 1.00 62.43 H new ATOM 0 HE1 HIS A 495 25.400 -48.056 5.575 1.00 4.31 H new ATOM 0 HE2 HIS A 495 27.774 -47.298 5.052 1.00 54.01 H new ATOM 1276 N HIS A 496 24.438 -45.691 0.832 1.00 71.31 N ATOM 1277 CA HIS A 496 23.618 -46.376 -0.162 1.00 13.42 C ATOM 1278 C HIS A 496 23.278 -47.791 0.297 1.00 73.01 C ATOM 1279 O HIS A 496 23.667 -48.213 1.386 1.00 64.13 O ATOM 1280 CB HIS A 496 24.343 -46.423 -1.507 1.00 32.14 C ATOM 1281 CG HIS A 496 25.738 -46.959 -1.417 1.00 4.43 C ATOM 1282 ND1 HIS A 496 26.851 -46.221 -1.761 1.00 24.33 N ATOM 1283 CD2 HIS A 496 26.199 -48.167 -1.017 1.00 31.03 C ATOM 1284 CE1 HIS A 496 27.936 -46.953 -1.578 1.00 43.45 C ATOM 1285 NE2 HIS A 496 27.568 -48.138 -1.127 1.00 12.24 N ATOM 0 H HIS A 496 24.763 -46.287 1.594 1.00 71.31 H new ATOM 0 HA HIS A 496 22.689 -45.818 -0.279 1.00 13.42 H new ATOM 0 HB2 HIS A 496 23.769 -47.040 -2.198 1.00 32.14 H new ATOM 0 HB3 HIS A 496 24.375 -45.418 -1.928 1.00 32.14 H new ATOM 0 HD2 HIS A 496 25.602 -48.999 -0.675 1.00 31.03 H new ATOM 0 HE1 HIS A 496 28.951 -46.636 -1.766 1.00 43.45 H new ATOM 0 HE2 HIS A 496 28.198 -48.907 -0.898 1.00 12.24 H new ATOM 1293 N HIS A 497 22.547 -48.519 -0.542 1.00 35.04 N ATOM 1294 CA HIS A 497 22.154 -49.887 -0.223 1.00 13.00 C ATOM 1295 C HIS A 497 22.918 -50.887 -1.084 1.00 32.23 C ATOM 1296 O HIS A 497 24.147 -50.958 -1.027 1.00 73.22 O ATOM 1297 CB HIS A 497 20.649 -50.068 -0.426 1.00 32.13 C ATOM 1298 CG HIS A 497 20.228 -50.019 -1.862 1.00 31.32 C ATOM 1299 ND1 HIS A 497 20.343 -51.095 -2.717 1.00 45.01 N ATOM 1300 CD2 HIS A 497 19.686 -49.016 -2.592 1.00 25.13 C ATOM 1301 CE1 HIS A 497 19.893 -50.754 -3.912 1.00 22.34 C ATOM 1302 NE2 HIS A 497 19.489 -49.498 -3.862 1.00 61.24 N ATOM 0 H HIS A 497 22.215 -48.185 -1.447 1.00 35.04 H new ATOM 0 HA HIS A 497 22.398 -50.074 0.823 1.00 13.00 H new ATOM 0 HB2 HIS A 497 20.346 -51.024 0.000 1.00 32.13 H new ATOM 0 HB3 HIS A 497 20.120 -49.291 0.126 1.00 32.13 H new ATOM 0 HD2 HIS A 497 19.452 -48.022 -2.241 1.00 25.13 H new ATOM 0 HE1 HIS A 497 19.861 -51.394 -4.781 1.00 22.34 H new ATOM 0 HE2 HIS A 497 19.094 -48.971 -4.641 1.00 61.24 H new TER 1310 HIS A 497