USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 640 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 454 THR OG1 : rot 180:sc= 0.807 USER MOD Set 1.2: A 476 THR OG1 : rot -51:sc= 0.909 USER MOD Set 2.1: A 466 GLN : amide:sc= 0 K(o=-0.071,f=-0.82) USER MOD Set 2.2: A 468 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=-0.16) USER MOD Set 3.1: A 450 THR OG1 : rot 86:sc= 0.223 USER MOD Set 3.2: A 455 TYR OH : rot 30:sc= 0.662 USER MOD Set 4.1: A 416 THR OG1 : rot 142:sc= 1.44 USER MOD Set 4.2: A 419 TYR OH : rot 143:sc= 0.338 USER MOD Set 5.1: A 407 THR OG1 : rot 180:sc= 1.07 USER MOD Set 5.2: A 445 THR OG1 : rot -72:sc= 1.18 USER MOD Single : A 395 ASN : amide:sc= -0.56 K(o=-0.56,f=-3.3!) USER MOD Single : A 397 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 180:sc= 0 USER MOD Single : A 400 GLN : amide:sc= -4.96! C(o=-5!,f=-5.2!) USER MOD Single : A 404 SER OG : rot 160:sc= 0 USER MOD Single : A 405 GLN : amide:sc= 0.361 K(o=0.36,f=-3.8!) USER MOD Single : A 406 THR OG1 : rot -160:sc= -1.37 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= 0.143 K(o=0.14,f=-6!) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 422 SER OG : rot 180:sc= 0 USER MOD Single : A 423 CYS SG : rot 140:sc= -2.91 USER MOD Single : A 424 HIS : no HD1:sc=-0.00373 X(o=-0.0037,f=-0.21) USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 434 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.00708 USER MOD Single : A 441 SER OG : rot -160:sc= -0.128 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot -23:sc= 0.617 USER MOD Single : A 447 THR OG1 : rot 180:sc= 0.0699 USER MOD Single : A 456 ASN : amide:sc= -2.22! C(o=-2.2!,f=-4.9!) USER MOD Single : A 463 LYS NZ :NH3+ -121:sc= 0.194 (180deg=-1.59!) USER MOD Single : A 465 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 469 LYS NZ :NH3+ -173:sc= 0.554 (180deg=0.31) USER MOD Single : A 479 ASN :FLIP amide:sc= -0.191 F(o=-1.1,f=-0.19) USER MOD Single : A 480 SER OG : rot 52:sc= 0.492 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 395 20.222 12.673 7.582 1.00 7.64 N ATOM 2 CA ASN A 395 19.551 13.912 8.039 1.00 7.05 C ATOM 3 C ASN A 395 20.294 15.135 7.512 1.00 6.89 C ATOM 4 O ASN A 395 21.359 14.988 6.909 1.00 7.24 O ATOM 5 CB ASN A 395 19.455 13.935 9.577 1.00 7.73 C ATOM 6 CG ASN A 395 20.809 13.869 10.272 1.00 8.25 C ATOM 7 OD1 ASN A 395 21.821 14.341 9.758 1.00 8.44 O ATOM 8 ND2 ASN A 395 20.833 13.282 11.457 1.00 8.76 N ATOM 0 HA ASN A 395 18.536 13.935 7.642 1.00 7.05 H new ATOM 0 HB2 ASN A 395 18.940 14.844 9.887 1.00 7.73 H new ATOM 0 HB3 ASN A 395 18.845 13.095 9.908 1.00 7.73 H new ATOM 0 HD21 ASN A 395 21.710 13.211 11.973 1.00 8.76 H new ATOM 0 HD22 ASN A 395 19.975 12.901 11.855 1.00 8.76 H new ATOM 17 N ALA A 396 19.713 16.332 7.709 1.00 6.67 N ATOM 18 CA ALA A 396 20.294 17.603 7.204 1.00 6.81 C ATOM 19 C ALA A 396 20.174 17.706 5.683 1.00 6.05 C ATOM 20 O ALA A 396 20.372 18.772 5.103 1.00 6.42 O ATOM 21 CB ALA A 396 21.750 17.756 7.632 1.00 7.55 C ATOM 0 H ALA A 396 18.836 16.453 8.217 1.00 6.67 H new ATOM 0 HA ALA A 396 19.720 18.417 7.647 1.00 6.81 H new ATOM 0 HB1 ALA A 396 22.146 18.696 7.247 1.00 7.55 H new ATOM 0 HB2 ALA A 396 21.811 17.756 8.720 1.00 7.55 H new ATOM 0 HB3 ALA A 396 22.335 16.926 7.235 1.00 7.55 H new ATOM 27 N SER A 397 19.853 16.592 5.046 1.00 5.23 N ATOM 28 CA SER A 397 19.640 16.553 3.606 1.00 4.72 C ATOM 29 C SER A 397 18.136 16.824 3.327 1.00 4.61 C ATOM 30 O SER A 397 17.304 16.370 4.113 1.00 4.53 O ATOM 31 CB SER A 397 20.059 15.158 3.086 1.00 4.27 C ATOM 32 OG SER A 397 19.905 15.061 1.679 1.00 4.45 O ATOM 0 H SER A 397 19.733 15.691 5.509 1.00 5.23 H new ATOM 0 HA SER A 397 20.235 17.310 3.095 1.00 4.72 H new ATOM 0 HB2 SER A 397 21.098 14.965 3.354 1.00 4.27 H new ATOM 0 HB3 SER A 397 19.457 14.391 3.573 1.00 4.27 H new ATOM 0 HG SER A 397 20.179 14.169 1.381 1.00 4.45 H new ATOM 38 N THR A 398 17.747 17.544 2.250 1.00 5.02 N ATOM 39 CA THR A 398 16.286 17.729 2.004 1.00 5.32 C ATOM 40 C THR A 398 15.863 16.931 0.777 1.00 5.50 C ATOM 41 O THR A 398 15.057 17.384 -0.035 1.00 6.31 O ATOM 42 CB THR A 398 15.851 19.216 1.847 1.00 6.23 C ATOM 43 OG1 THR A 398 16.927 19.989 1.301 1.00 6.75 O ATOM 44 CG2 THR A 398 15.383 19.827 3.175 1.00 6.37 C ATOM 0 H THR A 398 18.371 17.983 1.574 1.00 5.02 H new ATOM 0 HA THR A 398 15.779 17.360 2.895 1.00 5.32 H new ATOM 0 HB THR A 398 15.003 19.236 1.163 1.00 6.23 H new ATOM 0 HG1 THR A 398 16.643 20.922 1.204 1.00 6.75 H new ATOM 0 HG21 THR A 398 15.090 20.865 3.015 1.00 6.37 H new ATOM 0 HG22 THR A 398 14.530 19.264 3.554 1.00 6.37 H new ATOM 0 HG23 THR A 398 16.196 19.787 3.900 1.00 6.37 H new ATOM 52 N GLY A 399 16.420 15.728 0.661 1.00 4.93 N ATOM 53 CA GLY A 399 16.082 14.840 -0.433 1.00 5.31 C ATOM 54 C GLY A 399 16.028 13.402 0.061 1.00 4.62 C ATOM 55 O GLY A 399 15.846 13.180 1.259 1.00 4.48 O ATOM 0 H GLY A 399 17.107 15.351 1.314 1.00 4.93 H new ATOM 0 HA2 GLY A 399 15.119 15.123 -0.858 1.00 5.31 H new ATOM 0 HA3 GLY A 399 16.821 14.932 -1.229 1.00 5.31 H new ATOM 59 N GLN A 400 16.169 12.418 -0.824 1.00 4.32 N ATOM 60 CA GLN A 400 16.159 11.022 -0.382 1.00 3.59 C ATOM 61 C GLN A 400 17.568 10.459 -0.362 1.00 2.81 C ATOM 62 O GLN A 400 18.102 10.063 -1.397 1.00 2.93 O ATOM 63 CB GLN A 400 15.246 10.152 -1.257 1.00 3.81 C ATOM 64 CG GLN A 400 13.770 10.472 -1.099 1.00 4.51 C ATOM 65 CD GLN A 400 13.239 10.186 0.311 1.00 4.68 C ATOM 66 OE1 GLN A 400 12.636 9.140 0.532 1.00 5.27 O ATOM 67 NE2 GLN A 400 13.523 11.042 1.305 1.00 4.54 N ATOM 0 H GLN A 400 16.289 12.553 -1.828 1.00 4.32 H new ATOM 0 HA GLN A 400 15.757 11.004 0.631 1.00 3.59 H new ATOM 0 HB2 GLN A 400 15.528 10.281 -2.302 1.00 3.81 H new ATOM 0 HB3 GLN A 400 15.411 9.103 -1.009 1.00 3.81 H new ATOM 0 HG2 GLN A 400 13.605 11.523 -1.336 1.00 4.51 H new ATOM 0 HG3 GLN A 400 13.199 9.889 -1.821 1.00 4.51 H new ATOM 0 HE21 GLN A 400 14.025 11.907 1.105 1.00 4.54 H new ATOM 0 HE22 GLN A 400 13.237 10.827 2.260 1.00 4.54 H new ATOM 76 N GLU A 401 18.165 10.434 0.828 1.00 2.28 N ATOM 77 CA GLU A 401 19.526 9.920 0.983 1.00 1.62 C ATOM 78 C GLU A 401 19.697 8.472 0.537 1.00 1.37 C ATOM 79 O GLU A 401 20.368 8.211 -0.456 1.00 1.38 O ATOM 80 CB GLU A 401 20.013 10.124 2.420 1.00 1.30 C ATOM 81 CG GLU A 401 20.538 11.521 2.707 1.00 1.92 C ATOM 82 CD GLU A 401 21.031 11.670 4.134 1.00 2.22 C ATOM 83 OE1 GLU A 401 20.245 12.109 5.000 1.00 2.91 O ATOM 84 OE2 GLU A 401 22.207 11.331 4.402 1.00 2.28 O ATOM 0 H GLU A 401 17.733 10.760 1.693 1.00 2.28 H new ATOM 0 HA GLU A 401 20.152 10.502 0.307 1.00 1.62 H new ATOM 0 HB2 GLU A 401 19.192 9.909 3.104 1.00 1.30 H new ATOM 0 HB3 GLU A 401 20.801 9.401 2.631 1.00 1.30 H new ATOM 0 HG2 GLU A 401 21.352 11.749 2.018 1.00 1.92 H new ATOM 0 HG3 GLU A 401 19.748 12.249 2.520 1.00 1.92 H new ATOM 91 N ALA A 402 19.109 7.540 1.235 1.00 1.24 N ATOM 92 CA ALA A 402 19.234 6.136 0.852 1.00 1.04 C ATOM 93 C ALA A 402 17.894 5.502 0.546 1.00 0.82 C ATOM 94 O ALA A 402 17.737 4.283 0.466 1.00 0.79 O ATOM 95 CB ALA A 402 19.994 5.398 1.923 1.00 1.18 C ATOM 0 H ALA A 402 18.542 7.711 2.065 1.00 1.24 H new ATOM 0 HA ALA A 402 19.797 6.073 -0.079 1.00 1.04 H new ATOM 0 HB1 ALA A 402 20.091 4.349 1.643 1.00 1.18 H new ATOM 0 HB2 ALA A 402 20.986 5.837 2.034 1.00 1.18 H new ATOM 0 HB3 ALA A 402 19.456 5.473 2.868 1.00 1.18 H new ATOM 101 N LEU A 403 16.959 6.372 0.379 1.00 0.75 N ATOM 102 CA LEU A 403 15.577 6.080 0.427 1.00 0.58 C ATOM 103 C LEU A 403 15.018 5.896 -0.976 1.00 0.57 C ATOM 104 O LEU A 403 15.026 6.829 -1.780 1.00 0.90 O ATOM 105 CB LEU A 403 14.960 7.237 1.173 1.00 0.59 C ATOM 106 CG LEU A 403 15.837 7.771 2.324 1.00 0.79 C ATOM 107 CD1 LEU A 403 15.186 8.967 2.996 1.00 1.70 C ATOM 108 CD2 LEU A 403 16.070 6.672 3.357 1.00 1.52 C ATOM 0 H LEU A 403 17.153 7.356 0.196 1.00 0.75 H new ATOM 0 HA LEU A 403 15.355 5.142 0.935 1.00 0.58 H new ATOM 0 HB2 LEU A 403 14.764 8.048 0.471 1.00 0.59 H new ATOM 0 HB3 LEU A 403 13.997 6.925 1.577 1.00 0.59 H new ATOM 0 HG LEU A 403 16.791 8.086 1.902 1.00 0.79 H new ATOM 0 HD11 LEU A 403 15.825 9.323 3.804 1.00 1.70 H new ATOM 0 HD12 LEU A 403 15.047 9.764 2.265 1.00 1.70 H new ATOM 0 HD13 LEU A 403 14.218 8.674 3.402 1.00 1.70 H new ATOM 0 HD21 LEU A 403 16.690 7.058 4.166 1.00 1.52 H new ATOM 0 HD22 LEU A 403 15.112 6.342 3.760 1.00 1.52 H new ATOM 0 HD23 LEU A 403 16.574 5.829 2.884 1.00 1.52 H new ATOM 120 N SER A 404 14.545 4.704 -1.272 1.00 0.30 N ATOM 121 CA SER A 404 14.021 4.410 -2.585 1.00 0.27 C ATOM 122 C SER A 404 12.544 4.741 -2.626 1.00 0.28 C ATOM 123 O SER A 404 11.842 4.607 -1.619 1.00 0.43 O ATOM 124 CB SER A 404 14.257 2.941 -2.932 1.00 0.28 C ATOM 125 OG SER A 404 13.632 2.591 -4.155 1.00 1.04 O ATOM 0 H SER A 404 14.513 3.922 -0.618 1.00 0.30 H new ATOM 0 HA SER A 404 14.539 5.020 -3.326 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.328 2.750 -3.001 1.00 0.28 H new ATOM 0 HB3 SER A 404 13.871 2.310 -2.131 1.00 0.28 H new ATOM 0 HG SER A 404 14.046 1.778 -4.513 1.00 1.04 H new ATOM 131 N GLN A 405 12.079 5.195 -3.774 1.00 0.26 N ATOM 132 CA GLN A 405 10.685 5.556 -3.925 1.00 0.26 C ATOM 133 C GLN A 405 9.979 4.564 -4.830 1.00 0.27 C ATOM 134 O GLN A 405 10.209 4.533 -6.039 1.00 0.43 O ATOM 135 CB GLN A 405 10.517 6.967 -4.494 1.00 0.30 C ATOM 136 CG GLN A 405 11.732 7.878 -4.372 1.00 0.33 C ATOM 137 CD GLN A 405 12.669 7.724 -5.557 1.00 0.58 C ATOM 138 OE1 GLN A 405 12.778 6.640 -6.133 1.00 0.99 O ATOM 139 NE2 GLN A 405 13.341 8.794 -5.947 1.00 0.91 N ATOM 0 H GLN A 405 12.645 5.322 -4.613 1.00 0.26 H new ATOM 0 HA GLN A 405 10.239 5.535 -2.931 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.252 6.885 -5.548 1.00 0.30 H new ATOM 0 HB3 GLN A 405 9.676 7.444 -3.990 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.404 8.915 -4.300 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.268 7.648 -3.451 1.00 0.33 H new ATOM 0 HE21 GLN A 405 13.228 9.677 -5.449 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.972 8.737 -6.746 1.00 0.91 H new ATOM 148 N THR A 406 9.125 3.752 -4.242 1.00 0.18 N ATOM 149 CA THR A 406 8.332 2.817 -4.997 1.00 0.19 C ATOM 150 C THR A 406 6.973 3.400 -5.290 1.00 0.17 C ATOM 151 O THR A 406 6.083 3.421 -4.445 1.00 0.16 O ATOM 152 CB THR A 406 8.172 1.495 -4.233 1.00 0.21 C ATOM 153 OG1 THR A 406 9.463 0.956 -3.925 1.00 0.27 O ATOM 154 CG2 THR A 406 7.377 0.493 -5.039 1.00 0.29 C ATOM 0 H THR A 406 8.965 3.725 -3.235 1.00 0.18 H new ATOM 0 HA THR A 406 8.848 2.618 -5.936 1.00 0.19 H new ATOM 0 HB THR A 406 7.629 1.696 -3.310 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.381 -0.002 -3.735 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.280 -0.434 -4.473 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.386 0.897 -5.247 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.891 0.292 -5.979 1.00 0.29 H new ATOM 162 N THR A 407 6.849 3.914 -6.482 1.00 0.19 N ATOM 163 CA THR A 407 5.583 4.346 -6.989 1.00 0.19 C ATOM 164 C THR A 407 4.726 3.124 -7.300 1.00 0.19 C ATOM 165 O THR A 407 5.041 2.335 -8.191 1.00 0.26 O ATOM 166 CB THR A 407 5.801 5.196 -8.238 1.00 0.24 C ATOM 167 OG1 THR A 407 6.473 6.415 -7.886 1.00 0.26 O ATOM 168 CG2 THR A 407 4.486 5.501 -8.954 1.00 0.24 C ATOM 0 H THR A 407 7.627 4.044 -7.129 1.00 0.19 H new ATOM 0 HA THR A 407 5.065 4.954 -6.247 1.00 0.19 H new ATOM 0 HB THR A 407 6.422 4.625 -8.928 1.00 0.24 H new ATOM 0 HG1 THR A 407 6.612 6.956 -8.691 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.685 6.108 -9.837 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.010 4.567 -9.255 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.823 6.046 -8.281 1.00 0.24 H new ATOM 176 N ILE A 408 3.665 2.963 -6.538 1.00 0.21 N ATOM 177 CA ILE A 408 2.806 1.796 -6.666 1.00 0.21 C ATOM 178 C ILE A 408 1.378 2.225 -6.882 1.00 0.18 C ATOM 179 O ILE A 408 0.876 3.137 -6.225 1.00 0.16 O ATOM 180 CB ILE A 408 2.924 0.801 -5.458 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.673 -0.073 -5.299 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.186 1.519 -4.147 1.00 0.25 C ATOM 183 CD1 ILE A 408 1.952 -1.435 -4.706 1.00 0.27 C ATOM 0 H ILE A 408 3.373 3.626 -5.820 1.00 0.21 H new ATOM 0 HA ILE A 408 3.151 1.242 -7.539 1.00 0.21 H new ATOM 0 HB ILE A 408 3.776 0.163 -5.693 1.00 0.23 H new ATOM 0 HG12 ILE A 408 0.955 0.448 -4.666 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.204 -0.201 -6.275 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.260 0.789 -3.341 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.120 2.077 -4.218 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.367 2.207 -3.939 1.00 0.25 H new ATOM 0 HD11 ILE A 408 1.020 -1.994 -4.625 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.645 -1.977 -5.349 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.392 -1.317 -3.716 1.00 0.27 H new ATOM 195 N SER A 409 0.751 1.593 -7.848 1.00 0.18 N ATOM 196 CA SER A 409 -0.602 1.919 -8.217 1.00 0.16 C ATOM 197 C SER A 409 -1.530 0.758 -7.927 1.00 0.13 C ATOM 198 O SER A 409 -1.109 -0.400 -7.892 1.00 0.15 O ATOM 199 CB SER A 409 -0.672 2.307 -9.690 1.00 0.21 C ATOM 200 OG SER A 409 -0.043 1.340 -10.518 1.00 0.71 O ATOM 0 H SER A 409 1.166 0.840 -8.397 1.00 0.18 H new ATOM 0 HA SER A 409 -0.926 2.771 -7.619 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.715 2.418 -9.988 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.194 3.276 -9.834 1.00 0.21 H new ATOM 0 HG SER A 409 -0.108 1.620 -11.455 1.00 0.71 H new ATOM 206 N TRP A 410 -2.783 1.081 -7.700 1.00 0.16 N ATOM 207 CA TRP A 410 -3.800 0.078 -7.445 1.00 0.17 C ATOM 208 C TRP A 410 -5.091 0.509 -8.050 1.00 0.18 C ATOM 209 O TRP A 410 -5.263 1.663 -8.449 1.00 0.19 O ATOM 210 CB TRP A 410 -3.971 -0.174 -5.942 1.00 0.16 C ATOM 211 CG TRP A 410 -4.296 1.066 -5.152 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.529 1.576 -4.809 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.332 1.964 -4.610 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.365 2.724 -4.069 1.00 0.13 N ATOM 215 CE2 TRP A 410 -4.025 2.982 -3.937 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.939 1.993 -4.630 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.366 4.021 -3.285 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.283 3.019 -3.993 1.00 0.15 C ATOM 219 CH2 TRP A 410 -1.994 4.024 -3.326 1.00 0.14 C ATOM 0 H TRP A 410 -3.128 2.041 -7.686 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.482 -0.859 -7.902 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.764 -0.907 -5.794 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -3.054 -0.614 -5.550 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.480 1.141 -5.080 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.119 3.292 -3.681 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.383 1.220 -5.139 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.913 4.795 -2.767 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.204 3.051 -4.007 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.452 4.818 -2.834 1.00 0.14 H new ATOM 230 N ALA A 411 -5.991 -0.430 -8.144 1.00 0.19 N ATOM 231 CA ALA A 411 -7.219 -0.184 -8.789 1.00 0.22 C ATOM 232 C ALA A 411 -8.212 0.426 -7.834 1.00 0.19 C ATOM 233 O ALA A 411 -8.387 -0.031 -6.704 1.00 0.19 O ATOM 234 CB ALA A 411 -7.742 -1.440 -9.409 1.00 0.26 C ATOM 0 H ALA A 411 -5.881 -1.374 -7.774 1.00 0.19 H new ATOM 0 HA ALA A 411 -7.057 0.537 -9.590 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.691 -1.234 -9.903 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -7.024 -1.811 -10.141 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.892 -2.193 -8.635 1.00 0.26 H new ATOM 240 N PRO A 412 -8.839 1.487 -8.309 1.00 0.20 N ATOM 241 CA PRO A 412 -9.741 2.316 -7.537 1.00 0.19 C ATOM 242 C PRO A 412 -10.776 1.542 -6.758 1.00 0.20 C ATOM 243 O PRO A 412 -11.575 0.784 -7.315 1.00 0.23 O ATOM 244 CB PRO A 412 -10.452 3.170 -8.573 1.00 0.24 C ATOM 245 CG PRO A 412 -9.645 3.094 -9.827 1.00 0.26 C ATOM 246 CD PRO A 412 -8.672 1.961 -9.678 1.00 0.23 C ATOM 0 HA PRO A 412 -9.175 2.874 -6.792 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.465 2.806 -8.743 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.537 4.201 -8.231 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.292 2.931 -10.689 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.116 4.032 -9.999 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.879 1.168 -10.397 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.650 2.294 -9.857 1.00 0.23 H new ATOM 254 N PHE A 413 -10.741 1.741 -5.466 1.00 0.21 N ATOM 255 CA PHE A 413 -11.799 1.308 -4.596 1.00 0.30 C ATOM 256 C PHE A 413 -12.757 2.496 -4.417 1.00 0.51 C ATOM 257 O PHE A 413 -12.570 3.528 -5.066 1.00 1.35 O ATOM 258 CB PHE A 413 -11.182 0.827 -3.276 1.00 0.30 C ATOM 259 CG PHE A 413 -12.116 0.053 -2.400 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.563 0.582 -1.201 1.00 0.36 C ATOM 261 CD2 PHE A 413 -12.545 -1.201 -2.779 1.00 0.51 C ATOM 262 CE1 PHE A 413 -13.425 -0.132 -0.393 1.00 0.45 C ATOM 263 CE2 PHE A 413 -13.406 -1.925 -1.977 1.00 0.61 C ATOM 264 CZ PHE A 413 -13.849 -1.378 -0.769 1.00 0.57 C ATOM 0 H PHE A 413 -9.973 2.211 -4.987 1.00 0.21 H new ATOM 0 HA PHE A 413 -12.366 0.471 -5.004 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -10.315 0.205 -3.500 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.819 1.693 -2.723 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.234 1.564 -0.895 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -12.204 -1.622 -3.713 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.766 0.294 0.539 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -13.735 -2.908 -2.281 1.00 0.61 H new ATOM 0 HZ PHE A 413 -14.523 -1.936 -0.135 1.00 0.57 H new ATOM 274 N GLN A 414 -13.771 2.392 -3.570 1.00 0.54 N ATOM 275 CA GLN A 414 -14.799 3.454 -3.545 1.00 0.53 C ATOM 276 C GLN A 414 -14.924 4.122 -2.207 1.00 0.44 C ATOM 277 O GLN A 414 -15.113 3.514 -1.146 1.00 0.48 O ATOM 278 CB GLN A 414 -16.163 2.994 -4.089 1.00 0.71 C ATOM 279 CG GLN A 414 -17.078 2.527 -3.009 1.00 1.28 C ATOM 280 CD GLN A 414 -16.865 1.074 -2.611 1.00 1.51 C ATOM 281 OE1 GLN A 414 -15.759 0.546 -2.698 1.00 2.11 O ATOM 282 NE2 GLN A 414 -17.931 0.418 -2.176 1.00 1.89 N ATOM 0 H GLN A 414 -13.913 1.625 -2.913 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.435 4.214 -4.237 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -16.632 3.817 -4.628 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -16.012 2.188 -4.807 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -16.941 3.158 -2.131 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -18.109 2.657 -3.338 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -18.833 0.891 -2.118 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -17.850 -0.560 -1.899 1.00 1.89 H new ATOM 291 N ASP A 415 -14.779 5.418 -2.340 1.00 0.39 N ATOM 292 CA ASP A 415 -14.798 6.383 -1.277 1.00 0.34 C ATOM 293 C ASP A 415 -14.090 5.910 -0.029 1.00 0.31 C ATOM 294 O ASP A 415 -14.663 5.907 1.061 1.00 0.35 O ATOM 295 CB ASP A 415 -16.212 6.821 -0.919 1.00 0.40 C ATOM 296 CG ASP A 415 -16.920 7.541 -2.045 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.866 6.965 -2.619 1.00 0.58 O ATOM 298 OD2 ASP A 415 -16.533 8.685 -2.366 1.00 0.59 O ATOM 0 H ASP A 415 -14.636 5.850 -3.253 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.250 7.239 -1.671 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.795 5.945 -0.634 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.173 7.475 -0.048 1.00 0.40 H new ATOM 303 N THR A 416 -12.856 5.529 -0.190 1.00 0.27 N ATOM 304 CA THR A 416 -12.035 5.116 0.911 1.00 0.23 C ATOM 305 C THR A 416 -11.672 6.323 1.767 1.00 0.24 C ATOM 306 O THR A 416 -11.517 7.429 1.255 1.00 0.25 O ATOM 307 CB THR A 416 -10.778 4.437 0.358 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.167 3.405 -0.556 1.00 0.22 O ATOM 309 CG2 THR A 416 -9.947 3.840 1.471 1.00 0.22 C ATOM 0 H THR A 416 -12.388 5.496 -1.096 1.00 0.27 H new ATOM 0 HA THR A 416 -12.575 4.409 1.540 1.00 0.23 H new ATOM 0 HB THR A 416 -10.174 5.186 -0.154 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.543 3.384 -1.311 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.061 3.365 1.049 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.643 4.628 2.160 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.537 3.097 2.007 1.00 0.22 H new ATOM 317 N SER A 417 -11.639 6.135 3.076 1.00 0.25 N ATOM 318 CA SER A 417 -11.180 7.183 3.970 1.00 0.28 C ATOM 319 C SER A 417 -9.662 7.300 3.870 1.00 0.27 C ATOM 320 O SER A 417 -9.118 8.401 3.829 1.00 0.33 O ATOM 321 CB SER A 417 -11.598 6.883 5.416 1.00 0.32 C ATOM 322 OG SER A 417 -12.987 6.607 5.502 1.00 1.14 O ATOM 0 H SER A 417 -11.923 5.272 3.540 1.00 0.25 H new ATOM 0 HA SER A 417 -11.637 8.128 3.677 1.00 0.28 H new ATOM 0 HB2 SER A 417 -11.031 6.031 5.792 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.354 7.734 6.052 1.00 0.32 H new ATOM 0 HG SER A 417 -13.226 6.418 6.433 1.00 1.14 H new ATOM 328 N GLU A 418 -8.993 6.148 3.796 1.00 0.23 N ATOM 329 CA GLU A 418 -7.532 6.094 3.669 1.00 0.25 C ATOM 330 C GLU A 418 -7.074 4.796 3.038 1.00 0.19 C ATOM 331 O GLU A 418 -7.631 3.745 3.306 1.00 0.28 O ATOM 332 CB GLU A 418 -6.848 6.212 5.032 1.00 0.36 C ATOM 333 CG GLU A 418 -6.827 7.616 5.574 1.00 0.84 C ATOM 334 CD GLU A 418 -6.095 7.726 6.887 1.00 0.86 C ATOM 335 OE1 GLU A 418 -4.866 7.917 6.866 1.00 1.31 O ATOM 336 OE2 GLU A 418 -6.742 7.627 7.953 1.00 1.37 O ATOM 0 H GLU A 418 -9.442 5.233 3.822 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.254 6.935 3.034 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.360 5.564 5.744 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -5.824 5.848 4.948 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -6.356 8.275 4.845 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -7.851 7.965 5.704 1.00 0.84 H new ATOM 343 N TYR A 419 -6.043 4.858 2.225 1.00 0.17 N ATOM 344 CA TYR A 419 -5.402 3.635 1.765 1.00 0.16 C ATOM 345 C TYR A 419 -4.096 3.485 2.514 1.00 0.19 C ATOM 346 O TYR A 419 -3.102 4.129 2.178 1.00 0.29 O ATOM 347 CB TYR A 419 -5.127 3.617 0.249 1.00 0.16 C ATOM 348 CG TYR A 419 -6.383 3.692 -0.636 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.197 2.565 -0.861 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.768 4.886 -1.253 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.331 2.645 -1.657 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.893 4.947 -2.044 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.666 3.836 -2.242 1.00 0.14 C ATOM 354 OH TYR A 419 -9.800 3.927 -3.012 1.00 0.19 O ATOM 0 H TYR A 419 -5.633 5.722 1.871 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.084 2.808 1.961 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.475 4.455 0.002 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.581 2.706 0.004 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.934 1.622 -0.406 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.173 5.775 -1.107 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.946 1.771 -1.814 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.168 5.881 -2.512 1.00 0.18 H new ATOM 0 HH TYR A 419 -10.221 4.801 -2.872 1.00 0.19 H new ATOM 364 N ILE A 420 -4.109 2.671 3.555 1.00 0.18 N ATOM 365 CA ILE A 420 -2.904 2.409 4.302 1.00 0.18 C ATOM 366 C ILE A 420 -2.130 1.302 3.622 1.00 0.17 C ATOM 367 O ILE A 420 -2.616 0.178 3.477 1.00 0.21 O ATOM 368 CB ILE A 420 -3.177 2.032 5.773 1.00 0.22 C ATOM 369 CG1 ILE A 420 -3.641 3.260 6.554 1.00 0.32 C ATOM 370 CG2 ILE A 420 -1.912 1.462 6.422 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.817 3.014 7.459 1.00 0.32 C ATOM 0 H ILE A 420 -4.938 2.185 3.896 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.323 3.331 4.319 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.960 1.274 5.794 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -2.809 3.630 7.153 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -3.901 4.048 5.847 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.121 1.201 7.459 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.595 0.571 5.880 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.118 2.208 6.389 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.079 3.938 7.974 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.667 2.675 6.867 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.558 2.251 8.193 1.00 0.32 H new ATOM 383 N ILE A 421 -0.938 1.631 3.187 1.00 0.15 N ATOM 384 CA ILE A 421 -0.086 0.663 2.547 1.00 0.18 C ATOM 385 C ILE A 421 0.887 0.138 3.572 1.00 0.19 C ATOM 386 O ILE A 421 1.506 0.909 4.304 1.00 0.30 O ATOM 387 CB ILE A 421 0.688 1.245 1.358 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.284 1.701 0.265 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.645 0.184 0.831 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.294 2.713 -0.691 1.00 0.32 C ATOM 0 H ILE A 421 -0.536 2.565 3.266 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.717 -0.133 2.152 1.00 0.18 H new ATOM 0 HB ILE A 421 1.260 2.117 1.676 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.612 0.829 -0.301 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.170 2.127 0.736 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.202 0.585 -0.016 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.340 -0.103 1.620 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.078 -0.690 0.511 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.457 2.983 -1.433 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.596 3.603 -0.140 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.162 2.285 -1.193 1.00 0.32 H new ATOM 402 N SER A 422 1.018 -1.157 3.613 1.00 0.14 N ATOM 403 CA SER A 422 1.779 -1.804 4.649 1.00 0.14 C ATOM 404 C SER A 422 2.917 -2.614 4.056 1.00 0.16 C ATOM 405 O SER A 422 2.736 -3.753 3.625 1.00 0.36 O ATOM 406 CB SER A 422 0.869 -2.698 5.483 1.00 0.18 C ATOM 407 OG SER A 422 -0.177 -1.955 6.097 1.00 0.88 O ATOM 0 H SER A 422 0.603 -1.794 2.933 1.00 0.14 H new ATOM 0 HA SER A 422 2.209 -1.037 5.293 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.441 -3.474 4.849 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.457 -3.202 6.250 1.00 0.18 H new ATOM 0 HG SER A 422 -0.742 -2.559 6.622 1.00 0.88 H new ATOM 413 N CYS A 423 4.079 -2.002 4.020 1.00 0.14 N ATOM 414 CA CYS A 423 5.275 -2.642 3.517 1.00 0.12 C ATOM 415 C CYS A 423 5.932 -3.498 4.594 1.00 0.12 C ATOM 416 O CYS A 423 6.648 -2.983 5.450 1.00 0.13 O ATOM 417 CB CYS A 423 6.247 -1.581 3.038 1.00 0.14 C ATOM 418 SG CYS A 423 5.564 -0.452 1.804 1.00 0.95 S ATOM 0 H CYS A 423 4.222 -1.044 4.339 1.00 0.14 H new ATOM 0 HA CYS A 423 5.000 -3.294 2.688 1.00 0.12 H new ATOM 0 HB2 CYS A 423 6.586 -1.001 3.896 1.00 0.14 H new ATOM 0 HB3 CYS A 423 7.125 -2.072 2.618 1.00 0.14 H new ATOM 0 HG CYS A 423 5.975 0.757 2.047 1.00 0.95 H new ATOM 424 N HIS A 424 5.692 -4.800 4.545 1.00 0.13 N ATOM 425 CA HIS A 424 6.273 -5.728 5.516 1.00 0.15 C ATOM 426 C HIS A 424 7.618 -6.244 5.021 1.00 0.15 C ATOM 427 O HIS A 424 7.690 -6.984 4.045 1.00 0.16 O ATOM 428 CB HIS A 424 5.336 -6.906 5.772 1.00 0.18 C ATOM 429 CG HIS A 424 4.099 -6.565 6.551 1.00 0.19 C ATOM 430 ND1 HIS A 424 3.989 -6.744 7.913 1.00 0.24 N ATOM 431 CD2 HIS A 424 2.907 -6.063 6.143 1.00 0.24 C ATOM 432 CE1 HIS A 424 2.787 -6.369 8.309 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.113 -5.951 7.255 1.00 0.25 N ATOM 0 H HIS A 424 5.098 -5.243 3.844 1.00 0.13 H new ATOM 0 HA HIS A 424 6.418 -5.186 6.450 1.00 0.15 H new ATOM 0 HB2 HIS A 424 5.040 -7.332 4.813 1.00 0.18 H new ATOM 0 HB3 HIS A 424 5.885 -7.680 6.308 1.00 0.18 H new ATOM 0 HD2 HIS A 424 2.634 -5.801 5.131 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.418 -6.399 9.324 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.155 -5.601 7.266 1.00 0.25 H new ATOM 442 N PRO A 425 8.695 -5.850 5.695 1.00 0.17 N ATOM 443 CA PRO A 425 10.054 -6.215 5.312 1.00 0.17 C ATOM 444 C PRO A 425 10.368 -7.680 5.524 1.00 0.18 C ATOM 445 O PRO A 425 10.118 -8.265 6.581 1.00 0.24 O ATOM 446 CB PRO A 425 10.957 -5.353 6.196 1.00 0.21 C ATOM 447 CG PRO A 425 10.057 -4.499 7.027 1.00 0.32 C ATOM 448 CD PRO A 425 8.658 -5.022 6.893 1.00 0.22 C ATOM 0 HA PRO A 425 10.200 -6.047 4.245 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.590 -5.977 6.827 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.621 -4.738 5.588 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.372 -4.518 8.070 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.108 -3.461 6.698 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.365 -5.602 7.768 1.00 0.22 H new ATOM 0 HD3 PRO A 425 7.938 -4.210 6.793 1.00 0.22 H new ATOM 456 N VAL A 426 10.925 -8.241 4.483 1.00 0.15 N ATOM 457 CA VAL A 426 11.370 -9.615 4.448 1.00 0.19 C ATOM 458 C VAL A 426 12.895 -9.638 4.545 1.00 0.20 C ATOM 459 O VAL A 426 13.564 -8.762 3.991 1.00 0.20 O ATOM 460 CB VAL A 426 10.956 -10.260 3.117 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.194 -11.761 3.096 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.521 -9.933 2.754 1.00 0.21 C ATOM 0 H VAL A 426 11.088 -7.742 3.608 1.00 0.15 H new ATOM 0 HA VAL A 426 10.923 -10.164 5.277 1.00 0.19 H new ATOM 0 HB VAL A 426 11.602 -9.823 2.356 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.884 -12.165 2.132 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.254 -11.964 3.250 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.615 -12.232 3.890 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.268 -10.408 1.806 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.855 -10.302 3.534 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.406 -8.853 2.660 1.00 0.21 H new ATOM 472 N GLY A 427 13.441 -10.599 5.266 1.00 0.26 N ATOM 473 CA GLY A 427 14.890 -10.701 5.395 1.00 0.29 C ATOM 474 C GLY A 427 15.380 -9.996 6.638 1.00 0.32 C ATOM 475 O GLY A 427 16.269 -10.481 7.338 1.00 0.38 O ATOM 0 H GLY A 427 12.914 -11.314 5.767 1.00 0.26 H new ATOM 0 HA2 GLY A 427 15.181 -11.751 5.431 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.367 -10.267 4.516 1.00 0.29 H new ATOM 479 N THR A 428 14.796 -8.844 6.903 1.00 0.31 N ATOM 480 CA THR A 428 15.073 -8.094 8.107 1.00 0.37 C ATOM 481 C THR A 428 13.991 -8.316 9.137 1.00 0.41 C ATOM 482 O THR A 428 12.969 -8.949 8.863 1.00 0.41 O ATOM 483 CB THR A 428 15.129 -6.594 7.830 1.00 0.37 C ATOM 484 OG1 THR A 428 14.119 -6.239 6.874 1.00 0.30 O ATOM 485 CG2 THR A 428 16.500 -6.173 7.324 1.00 0.42 C ATOM 0 H THR A 428 14.114 -8.402 6.286 1.00 0.31 H new ATOM 0 HA THR A 428 16.037 -8.445 8.475 1.00 0.37 H new ATOM 0 HB THR A 428 14.944 -6.068 8.767 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.157 -5.275 6.700 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.505 -5.099 7.137 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.254 -6.414 8.073 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.725 -6.704 6.399 1.00 0.42 H new ATOM 493 N ASP A 429 14.220 -7.785 10.321 1.00 0.48 N ATOM 494 CA ASP A 429 13.208 -7.781 11.348 1.00 0.54 C ATOM 495 C ASP A 429 12.638 -6.383 11.515 1.00 0.49 C ATOM 496 O ASP A 429 12.151 -6.010 12.584 1.00 0.59 O ATOM 497 CB ASP A 429 13.777 -8.275 12.667 1.00 0.69 C ATOM 498 CG ASP A 429 12.701 -8.681 13.653 1.00 1.09 C ATOM 499 OD1 ASP A 429 11.959 -9.645 13.372 1.00 1.06 O ATOM 500 OD2 ASP A 429 12.595 -8.041 14.723 1.00 1.78 O ATOM 0 H ASP A 429 15.102 -7.350 10.593 1.00 0.48 H new ATOM 0 HA ASP A 429 12.408 -8.457 11.045 1.00 0.54 H new ATOM 0 HB2 ASP A 429 14.432 -9.126 12.479 1.00 0.69 H new ATOM 0 HB3 ASP A 429 14.392 -7.491 13.109 1.00 0.69 H new ATOM 505 N GLU A 430 12.711 -5.601 10.454 1.00 0.40 N ATOM 506 CA GLU A 430 12.198 -4.252 10.479 1.00 0.38 C ATOM 507 C GLU A 430 10.698 -4.226 10.494 1.00 0.31 C ATOM 508 O GLU A 430 10.028 -5.230 10.243 1.00 0.33 O ATOM 509 CB GLU A 430 12.723 -3.457 9.299 1.00 0.38 C ATOM 510 CG GLU A 430 14.181 -3.084 9.430 1.00 0.48 C ATOM 511 CD GLU A 430 14.497 -2.418 10.754 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.943 -3.114 11.688 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.296 -1.191 10.864 1.00 1.64 O ATOM 0 H GLU A 430 13.122 -5.882 9.564 1.00 0.40 H new ATOM 0 HA GLU A 430 12.548 -3.790 11.402 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.585 -4.039 8.388 1.00 0.38 H new ATOM 0 HB3 GLU A 430 12.131 -2.548 9.190 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.792 -3.980 9.324 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.455 -2.413 8.616 1.00 0.48 H new ATOM 520 N GLU A 431 10.186 -3.057 10.797 1.00 0.29 N ATOM 521 CA GLU A 431 8.784 -2.878 10.969 1.00 0.26 C ATOM 522 C GLU A 431 8.148 -2.529 9.635 1.00 0.24 C ATOM 523 O GLU A 431 8.803 -1.994 8.737 1.00 0.26 O ATOM 524 CB GLU A 431 8.521 -1.780 11.999 1.00 0.29 C ATOM 525 CG GLU A 431 8.472 -0.396 11.393 1.00 0.63 C ATOM 526 CD GLU A 431 8.257 0.695 12.421 1.00 0.87 C ATOM 527 OE1 GLU A 431 9.250 1.328 12.835 1.00 1.11 O ATOM 528 OE2 GLU A 431 7.094 0.923 12.821 1.00 1.05 O ATOM 0 H GLU A 431 10.739 -2.210 10.929 1.00 0.29 H new ATOM 0 HA GLU A 431 8.341 -3.804 11.335 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.576 -1.983 12.504 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.301 -1.809 12.760 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.404 -0.206 10.860 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.669 -0.356 10.657 1.00 0.63 H new ATOM 535 N PRO A 432 6.869 -2.850 9.498 1.00 0.23 N ATOM 536 CA PRO A 432 6.114 -2.548 8.300 1.00 0.21 C ATOM 537 C PRO A 432 5.937 -1.054 8.129 1.00 0.20 C ATOM 538 O PRO A 432 5.317 -0.390 8.962 1.00 0.24 O ATOM 539 CB PRO A 432 4.756 -3.228 8.510 1.00 0.24 C ATOM 540 CG PRO A 432 4.699 -3.622 9.954 1.00 0.23 C ATOM 541 CD PRO A 432 6.090 -3.523 10.525 1.00 0.24 C ATOM 0 HA PRO A 432 6.621 -2.901 7.402 1.00 0.21 H new ATOM 0 HB2 PRO A 432 3.940 -2.550 8.260 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.655 -4.101 7.865 1.00 0.24 H new ATOM 0 HG2 PRO A 432 4.017 -2.970 10.499 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.318 -4.638 10.056 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.095 -2.959 11.458 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.497 -4.509 10.747 1.00 0.24 H new ATOM 549 N LEU A 433 6.490 -0.532 7.051 1.00 0.20 N ATOM 550 CA LEU A 433 6.311 0.855 6.706 1.00 0.20 C ATOM 551 C LEU A 433 4.893 1.072 6.252 1.00 0.20 C ATOM 552 O LEU A 433 4.432 0.460 5.285 1.00 0.30 O ATOM 553 CB LEU A 433 7.263 1.265 5.598 1.00 0.22 C ATOM 554 CG LEU A 433 8.643 1.727 6.055 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.507 0.546 6.457 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.319 2.556 4.975 1.00 0.73 C ATOM 0 H LEU A 433 7.071 -1.057 6.398 1.00 0.20 H new ATOM 0 HA LEU A 433 6.523 1.464 7.585 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.388 0.421 4.919 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.801 2.069 5.025 1.00 0.22 H new ATOM 0 HG LEU A 433 8.514 2.359 6.934 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.485 0.904 6.779 1.00 0.65 H new ATOM 0 HD12 LEU A 433 9.030 0.008 7.276 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.627 -0.123 5.605 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.302 2.875 5.323 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.431 1.956 4.072 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.710 3.433 4.755 1.00 0.73 H new ATOM 568 N GLN A 434 4.206 1.927 6.956 1.00 0.17 N ATOM 569 CA GLN A 434 2.818 2.175 6.675 1.00 0.17 C ATOM 570 C GLN A 434 2.609 3.559 6.123 1.00 0.20 C ATOM 571 O GLN A 434 2.848 4.570 6.785 1.00 0.27 O ATOM 572 CB GLN A 434 1.954 1.940 7.900 1.00 0.18 C ATOM 573 CG GLN A 434 1.550 0.489 8.045 1.00 0.21 C ATOM 574 CD GLN A 434 0.843 0.207 9.359 1.00 0.38 C ATOM 575 OE1 GLN A 434 0.130 1.060 9.881 1.00 1.26 O ATOM 576 NE2 GLN A 434 1.050 -0.978 9.917 1.00 0.74 N ATOM 0 H GLN A 434 4.586 2.467 7.733 1.00 0.17 H new ATOM 0 HA GLN A 434 2.509 1.462 5.910 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.497 2.255 8.791 1.00 0.18 H new ATOM 0 HB3 GLN A 434 1.060 2.560 7.836 1.00 0.18 H new ATOM 0 HG2 GLN A 434 0.895 0.214 7.218 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.437 -0.140 7.972 1.00 0.21 H new ATOM 0 HE21 GLN A 434 1.649 -1.662 9.454 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.611 -1.205 10.809 1.00 0.74 H new ATOM 585 N PHE A 435 2.144 3.573 4.907 1.00 0.20 N ATOM 586 CA PHE A 435 1.910 4.813 4.186 1.00 0.23 C ATOM 587 C PHE A 435 0.421 5.067 4.066 1.00 0.21 C ATOM 588 O PHE A 435 -0.338 4.189 3.669 1.00 0.24 O ATOM 589 CB PHE A 435 2.555 4.777 2.796 1.00 0.25 C ATOM 590 CG PHE A 435 4.058 4.834 2.813 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.812 3.671 2.871 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.718 6.051 2.762 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.193 3.723 2.878 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.098 6.110 2.771 1.00 0.46 C ATOM 595 CZ PHE A 435 6.836 4.943 2.828 1.00 0.47 C ATOM 0 H PHE A 435 1.913 2.732 4.379 1.00 0.20 H new ATOM 0 HA PHE A 435 2.370 5.626 4.748 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.243 3.866 2.286 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.177 5.615 2.210 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.314 2.714 2.911 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.146 6.966 2.715 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.768 2.810 2.923 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.599 7.066 2.734 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.915 4.986 2.833 1.00 0.47 H new ATOM 605 N ARG A 436 0.013 6.268 4.422 1.00 0.22 N ATOM 606 CA ARG A 436 -1.397 6.619 4.444 1.00 0.21 C ATOM 607 C ARG A 436 -1.689 7.699 3.414 1.00 0.19 C ATOM 608 O ARG A 436 -1.262 8.845 3.562 1.00 0.27 O ATOM 609 CB ARG A 436 -1.795 7.085 5.842 1.00 0.27 C ATOM 610 CG ARG A 436 -1.700 5.971 6.863 1.00 0.72 C ATOM 611 CD ARG A 436 -1.955 6.446 8.278 1.00 0.74 C ATOM 612 NE ARG A 436 -3.371 6.659 8.564 1.00 1.52 N ATOM 613 CZ ARG A 436 -3.933 6.424 9.750 1.00 2.15 C ATOM 614 NH1 ARG A 436 -3.192 5.994 10.767 1.00 2.32 N ATOM 615 NH2 ARG A 436 -5.229 6.634 9.924 1.00 3.14 N ATOM 0 H ARG A 436 0.640 7.023 4.702 1.00 0.22 H new ATOM 0 HA ARG A 436 -1.986 5.738 4.190 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -1.151 7.910 6.146 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.815 7.469 5.819 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -2.420 5.192 6.611 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -0.709 5.519 6.810 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -1.555 5.713 8.979 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -1.413 7.376 8.446 1.00 0.74 H new ATOM 0 HE ARG A 436 -3.965 7.008 7.812 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -2.191 5.843 10.641 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -3.624 5.815 11.673 1.00 2.32 H new ATOM 0 HH21 ARG A 436 -5.799 6.976 9.150 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -5.657 6.454 10.832 1.00 3.14 H new ATOM 629 N VAL A 437 -2.395 7.326 2.359 1.00 0.17 N ATOM 630 CA VAL A 437 -2.748 8.253 1.305 1.00 0.16 C ATOM 631 C VAL A 437 -4.249 8.453 1.254 1.00 0.16 C ATOM 632 O VAL A 437 -5.026 7.613 1.722 1.00 0.17 O ATOM 633 CB VAL A 437 -2.239 7.790 -0.081 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.724 7.675 -0.084 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.881 6.473 -0.496 1.00 0.14 C ATOM 0 H VAL A 437 -2.736 6.376 2.213 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.259 9.198 1.540 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.529 8.545 -0.812 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.386 7.348 -1.067 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.285 8.646 0.147 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.413 6.948 0.667 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.502 6.176 -1.474 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.638 5.703 0.237 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -3.963 6.596 -0.548 1.00 0.14 H new ATOM 645 N PRO A 438 -4.644 9.595 0.701 1.00 0.17 N ATOM 646 CA PRO A 438 -6.043 10.007 0.568 1.00 0.18 C ATOM 647 C PRO A 438 -6.909 8.906 -0.054 1.00 0.16 C ATOM 648 O PRO A 438 -6.473 8.198 -0.962 1.00 0.14 O ATOM 649 CB PRO A 438 -5.935 11.232 -0.367 1.00 0.19 C ATOM 650 CG PRO A 438 -4.588 11.785 -0.054 1.00 0.21 C ATOM 651 CD PRO A 438 -3.719 10.599 0.170 1.00 0.19 C ATOM 0 HA PRO A 438 -6.521 10.222 1.524 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -6.019 10.946 -1.416 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.724 11.958 -0.171 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.214 12.397 -0.874 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.620 12.422 0.830 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.250 10.264 -0.755 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -2.915 10.817 0.874 1.00 0.19 H new ATOM 659 N GLY A 439 -8.137 8.785 0.433 1.00 0.19 N ATOM 660 CA GLY A 439 -8.998 7.677 0.083 1.00 0.20 C ATOM 661 C GLY A 439 -9.473 7.670 -1.356 1.00 0.18 C ATOM 662 O GLY A 439 -10.147 6.730 -1.775 1.00 0.20 O ATOM 0 H GLY A 439 -8.558 9.453 1.079 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.466 6.746 0.280 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.869 7.691 0.738 1.00 0.20 H new ATOM 666 N THR A 440 -9.188 8.715 -2.106 1.00 0.16 N ATOM 667 CA THR A 440 -9.542 8.715 -3.509 1.00 0.18 C ATOM 668 C THR A 440 -8.316 8.424 -4.399 1.00 0.16 C ATOM 669 O THR A 440 -8.461 8.066 -5.570 1.00 0.19 O ATOM 670 CB THR A 440 -10.184 10.050 -3.923 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.473 11.142 -3.327 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.646 10.100 -3.509 1.00 0.29 C ATOM 0 H THR A 440 -8.721 9.560 -1.775 1.00 0.16 H new ATOM 0 HA THR A 440 -10.272 7.918 -3.654 1.00 0.18 H new ATOM 0 HB THR A 440 -10.130 10.133 -5.008 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.887 11.988 -3.597 1.00 0.27 H new ATOM 0 HG21 THR A 440 -12.078 11.054 -3.813 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.188 9.286 -3.990 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.721 9.996 -2.427 1.00 0.29 H new ATOM 680 N SER A 441 -7.111 8.599 -3.840 1.00 0.13 N ATOM 681 CA SER A 441 -5.866 8.303 -4.545 1.00 0.12 C ATOM 682 C SER A 441 -5.777 6.830 -4.947 1.00 0.11 C ATOM 683 O SER A 441 -6.231 5.950 -4.222 1.00 0.12 O ATOM 684 CB SER A 441 -4.685 8.650 -3.643 1.00 0.13 C ATOM 685 OG SER A 441 -4.707 10.019 -3.271 1.00 0.16 O ATOM 0 H SER A 441 -6.977 8.948 -2.891 1.00 0.13 H new ATOM 0 HA SER A 441 -5.843 8.902 -5.456 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.712 8.027 -2.749 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.752 8.426 -4.160 1.00 0.13 H new ATOM 0 HG SER A 441 -3.813 10.292 -2.976 1.00 0.16 H new ATOM 691 N THR A 442 -5.186 6.562 -6.104 1.00 0.10 N ATOM 692 CA THR A 442 -5.052 5.192 -6.578 1.00 0.12 C ATOM 693 C THR A 442 -3.600 4.846 -6.890 1.00 0.13 C ATOM 694 O THR A 442 -3.313 3.829 -7.524 1.00 0.16 O ATOM 695 CB THR A 442 -5.930 4.940 -7.815 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.736 5.989 -8.775 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.397 4.873 -7.425 1.00 0.17 C ATOM 0 H THR A 442 -4.795 7.269 -6.727 1.00 0.10 H new ATOM 0 HA THR A 442 -5.393 4.543 -5.772 1.00 0.12 H new ATOM 0 HB THR A 442 -5.639 3.986 -8.255 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.297 5.821 -9.561 1.00 0.14 H new ATOM 0 HG21 THR A 442 -8.002 4.694 -8.314 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.548 4.061 -6.714 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.695 5.816 -6.967 1.00 0.17 H new ATOM 705 N SER A 443 -2.684 5.692 -6.440 1.00 0.12 N ATOM 706 CA SER A 443 -1.258 5.469 -6.644 1.00 0.15 C ATOM 707 C SER A 443 -0.462 6.280 -5.631 1.00 0.15 C ATOM 708 O SER A 443 -0.870 7.375 -5.244 1.00 0.19 O ATOM 709 CB SER A 443 -0.832 5.851 -8.068 1.00 0.17 C ATOM 710 OG SER A 443 -1.638 5.208 -9.045 1.00 1.08 O ATOM 0 H SER A 443 -2.905 6.546 -5.927 1.00 0.12 H new ATOM 0 HA SER A 443 -1.056 4.407 -6.505 1.00 0.15 H new ATOM 0 HB2 SER A 443 -0.902 6.932 -8.192 1.00 0.17 H new ATOM 0 HB3 SER A 443 0.212 5.580 -8.221 1.00 0.17 H new ATOM 0 HG SER A 443 -2.033 4.397 -8.661 1.00 1.08 H new ATOM 716 N ALA A 444 0.658 5.734 -5.191 1.00 0.14 N ATOM 717 CA ALA A 444 1.506 6.406 -4.218 1.00 0.15 C ATOM 718 C ALA A 444 2.953 6.093 -4.437 1.00 0.16 C ATOM 719 O ALA A 444 3.348 4.947 -4.646 1.00 0.15 O ATOM 720 CB ALA A 444 1.108 6.031 -2.803 1.00 0.16 C ATOM 0 H ALA A 444 1.004 4.823 -5.493 1.00 0.14 H new ATOM 0 HA ALA A 444 1.364 7.478 -4.355 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.756 6.546 -2.094 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.073 6.323 -2.627 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.208 4.954 -2.670 1.00 0.16 H new ATOM 726 N THR A 445 3.722 7.145 -4.420 1.00 0.24 N ATOM 727 CA THR A 445 5.144 7.050 -4.423 1.00 0.25 C ATOM 728 C THR A 445 5.645 6.819 -3.018 1.00 0.26 C ATOM 729 O THR A 445 5.552 7.679 -2.144 1.00 0.33 O ATOM 730 CB THR A 445 5.739 8.324 -5.003 1.00 0.31 C ATOM 731 OG1 THR A 445 5.378 8.437 -6.390 1.00 0.34 O ATOM 732 CG2 THR A 445 7.255 8.340 -4.846 1.00 0.34 C ATOM 0 H THR A 445 3.369 8.102 -4.404 1.00 0.24 H new ATOM 0 HA THR A 445 5.452 6.207 -5.042 1.00 0.25 H new ATOM 0 HB THR A 445 5.338 9.177 -4.456 1.00 0.31 H new ATOM 0 HG1 THR A 445 5.873 7.772 -6.912 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.655 9.262 -5.269 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.512 8.285 -3.788 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.684 7.485 -5.369 1.00 0.34 H new ATOM 740 N LEU A 446 6.146 5.631 -2.810 1.00 0.22 N ATOM 741 CA LEU A 446 6.571 5.214 -1.492 1.00 0.25 C ATOM 742 C LEU A 446 8.039 5.514 -1.247 1.00 0.24 C ATOM 743 O LEU A 446 8.920 4.772 -1.671 1.00 0.23 O ATOM 744 CB LEU A 446 6.250 3.718 -1.275 1.00 0.25 C ATOM 745 CG LEU A 446 4.898 3.422 -0.581 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.780 4.238 -1.206 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.572 1.937 -0.673 1.00 0.59 C ATOM 0 H LEU A 446 6.272 4.928 -3.538 1.00 0.22 H new ATOM 0 HA LEU A 446 6.011 5.794 -0.759 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.259 3.218 -2.243 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.049 3.275 -0.680 1.00 0.25 H new ATOM 0 HG LEU A 446 4.986 3.703 0.468 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.840 4.013 -0.702 1.00 0.65 H new ATOM 0 HD12 LEU A 446 4.003 5.300 -1.102 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.694 3.987 -2.263 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.619 1.743 -0.181 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.506 1.643 -1.721 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.357 1.361 -0.183 1.00 0.59 H new ATOM 759 N THR A 447 8.274 6.613 -0.545 1.00 0.30 N ATOM 760 CA THR A 447 9.619 7.068 -0.231 1.00 0.30 C ATOM 761 C THR A 447 10.166 6.412 1.028 1.00 0.29 C ATOM 762 O THR A 447 9.588 6.524 2.108 1.00 0.36 O ATOM 763 CB THR A 447 9.644 8.587 -0.011 1.00 0.39 C ATOM 764 OG1 THR A 447 8.366 9.039 0.463 1.00 0.86 O ATOM 765 CG2 THR A 447 10.024 9.332 -1.270 1.00 0.60 C ATOM 0 H THR A 447 7.537 7.214 -0.177 1.00 0.30 H new ATOM 0 HA THR A 447 10.239 6.791 -1.084 1.00 0.30 H new ATOM 0 HB THR A 447 10.405 8.798 0.740 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.393 10.009 0.602 1.00 0.86 H new ATOM 0 HG21 THR A 447 10.030 10.404 -1.071 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.016 9.018 -1.593 1.00 0.60 H new ATOM 0 HG23 THR A 447 9.300 9.113 -2.055 1.00 0.60 H new ATOM 773 N GLY A 448 11.280 5.729 0.878 1.00 0.30 N ATOM 774 CA GLY A 448 12.031 5.293 2.037 1.00 0.38 C ATOM 775 C GLY A 448 12.056 3.794 2.259 1.00 0.30 C ATOM 776 O GLY A 448 12.390 3.342 3.355 1.00 0.38 O ATOM 0 H GLY A 448 11.682 5.466 -0.022 1.00 0.30 H new ATOM 0 HA2 GLY A 448 13.057 5.648 1.940 1.00 0.38 H new ATOM 0 HA3 GLY A 448 11.611 5.769 2.923 1.00 0.38 H new ATOM 780 N LEU A 449 11.702 3.014 1.248 1.00 0.28 N ATOM 781 CA LEU A 449 11.965 1.597 1.291 1.00 0.25 C ATOM 782 C LEU A 449 13.453 1.362 1.087 1.00 0.25 C ATOM 783 O LEU A 449 14.043 1.845 0.117 1.00 0.34 O ATOM 784 CB LEU A 449 11.156 0.867 0.225 1.00 0.24 C ATOM 785 CG LEU A 449 9.641 1.017 0.347 1.00 0.21 C ATOM 786 CD1 LEU A 449 8.948 0.431 -0.868 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.152 0.327 1.599 1.00 0.23 C ATOM 0 H LEU A 449 11.238 3.340 0.400 1.00 0.28 H new ATOM 0 HA LEU A 449 11.666 1.204 2.263 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.464 1.231 -0.755 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.405 -0.193 0.264 1.00 0.24 H new ATOM 0 HG LEU A 449 9.403 2.079 0.406 1.00 0.21 H new ATOM 0 HD11 LEU A 449 7.869 0.547 -0.763 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.283 0.952 -1.765 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.192 -0.628 -0.951 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.071 0.439 1.678 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.404 -0.732 1.553 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.628 0.776 2.471 1.00 0.23 H new ATOM 799 N THR A 450 14.058 0.655 2.023 1.00 0.22 N ATOM 800 CA THR A 450 15.484 0.391 1.985 1.00 0.23 C ATOM 801 C THR A 450 15.828 -0.544 0.855 1.00 0.22 C ATOM 802 O THR A 450 15.517 -1.735 0.870 1.00 0.38 O ATOM 803 CB THR A 450 15.954 -0.205 3.320 1.00 0.27 C ATOM 804 OG1 THR A 450 15.344 0.510 4.402 1.00 0.32 O ATOM 805 CG2 THR A 450 17.465 -0.142 3.461 1.00 0.34 C ATOM 0 H THR A 450 13.578 0.250 2.827 1.00 0.22 H new ATOM 0 HA THR A 450 15.998 1.338 1.818 1.00 0.23 H new ATOM 0 HB THR A 450 15.657 -1.253 3.344 1.00 0.27 H new ATOM 0 HG1 THR A 450 14.461 0.128 4.590 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.759 -0.573 4.418 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.930 -0.705 2.651 1.00 0.34 H new ATOM 0 HG23 THR A 450 17.792 0.897 3.415 1.00 0.34 H new ATOM 813 N ARG A 451 16.433 0.046 -0.143 1.00 0.29 N ATOM 814 CA ARG A 451 16.942 -0.671 -1.283 1.00 0.26 C ATOM 815 C ARG A 451 17.874 -1.791 -0.878 1.00 0.26 C ATOM 816 O ARG A 451 18.776 -1.627 -0.054 1.00 0.30 O ATOM 817 CB ARG A 451 17.612 0.304 -2.233 1.00 0.31 C ATOM 818 CG ARG A 451 18.754 1.042 -1.587 1.00 0.32 C ATOM 819 CD ARG A 451 19.157 2.259 -2.387 1.00 0.43 C ATOM 820 NE ARG A 451 19.752 1.908 -3.676 1.00 1.32 N ATOM 821 CZ ARG A 451 20.084 2.799 -4.611 1.00 1.75 C ATOM 822 NH1 ARG A 451 19.875 4.095 -4.406 1.00 1.39 N ATOM 823 NH2 ARG A 451 20.622 2.392 -5.753 1.00 2.70 N ATOM 0 H ARG A 451 16.588 1.053 -0.187 1.00 0.29 H new ATOM 0 HA ARG A 451 16.106 -1.146 -1.797 1.00 0.26 H new ATOM 0 HB2 ARG A 451 17.980 -0.237 -3.105 1.00 0.31 H new ATOM 0 HB3 ARG A 451 16.875 1.023 -2.591 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.467 1.347 -0.580 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.609 0.373 -1.486 1.00 0.32 H new ATOM 0 HD2 ARG A 451 18.282 2.887 -2.553 1.00 0.43 H new ATOM 0 HD3 ARG A 451 19.869 2.850 -1.810 1.00 0.43 H new ATOM 0 HE ARG A 451 19.923 0.922 -3.872 1.00 1.32 H new ATOM 0 HH11 ARG A 451 19.459 4.412 -3.530 1.00 1.39 H new ATOM 0 HH12 ARG A 451 20.131 4.773 -5.124 1.00 1.39 H new ATOM 0 HH21 ARG A 451 20.782 1.398 -5.916 1.00 2.70 H new ATOM 0 HH22 ARG A 451 20.876 3.073 -6.468 1.00 2.70 H new ATOM 837 N GLY A 452 17.607 -2.939 -1.456 1.00 0.28 N ATOM 838 CA GLY A 452 18.340 -4.129 -1.148 1.00 0.34 C ATOM 839 C GLY A 452 17.612 -4.977 -0.131 1.00 0.32 C ATOM 840 O GLY A 452 18.103 -6.023 0.298 1.00 0.41 O ATOM 0 H GLY A 452 16.873 -3.067 -2.153 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.499 -4.706 -2.059 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.325 -3.863 -0.764 1.00 0.34 H new ATOM 844 N ALA A 453 16.440 -4.505 0.259 1.00 0.32 N ATOM 845 CA ALA A 453 15.580 -5.219 1.178 1.00 0.31 C ATOM 846 C ALA A 453 14.240 -5.447 0.538 1.00 0.27 C ATOM 847 O ALA A 453 13.795 -4.692 -0.331 1.00 0.35 O ATOM 848 CB ALA A 453 15.433 -4.459 2.489 1.00 0.32 C ATOM 0 H ALA A 453 16.060 -3.612 -0.056 1.00 0.32 H new ATOM 0 HA ALA A 453 16.032 -6.184 1.407 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.782 -5.017 3.162 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.413 -4.337 2.951 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.999 -3.478 2.294 1.00 0.32 H new ATOM 854 N THR A 454 13.631 -6.509 0.967 1.00 0.23 N ATOM 855 CA THR A 454 12.402 -6.975 0.410 1.00 0.21 C ATOM 856 C THR A 454 11.222 -6.514 1.258 1.00 0.17 C ATOM 857 O THR A 454 11.282 -6.550 2.484 1.00 0.19 O ATOM 858 CB THR A 454 12.462 -8.496 0.352 1.00 0.22 C ATOM 859 OG1 THR A 454 13.453 -8.907 -0.580 1.00 0.29 O ATOM 860 CG2 THR A 454 11.128 -9.092 -0.054 1.00 0.24 C ATOM 0 H THR A 454 13.983 -7.087 1.730 1.00 0.23 H new ATOM 0 HA THR A 454 12.263 -6.568 -0.591 1.00 0.21 H new ATOM 0 HB THR A 454 12.712 -8.853 1.351 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.487 -9.886 -0.611 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.209 -10.179 -0.085 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.366 -8.805 0.671 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.849 -8.721 -1.040 1.00 0.24 H new ATOM 868 N TYR A 455 10.168 -6.061 0.604 1.00 0.16 N ATOM 869 CA TYR A 455 8.984 -5.583 1.293 1.00 0.16 C ATOM 870 C TYR A 455 7.727 -6.206 0.704 1.00 0.13 C ATOM 871 O TYR A 455 7.448 -6.047 -0.483 1.00 0.15 O ATOM 872 CB TYR A 455 8.891 -4.060 1.187 1.00 0.23 C ATOM 873 CG TYR A 455 9.965 -3.315 1.952 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.805 -3.009 3.299 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.133 -2.905 1.321 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.779 -2.315 3.993 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.112 -2.216 2.010 1.00 0.30 C ATOM 878 CZ TYR A 455 11.931 -1.921 3.344 1.00 0.26 C ATOM 879 OH TYR A 455 12.902 -1.224 4.030 1.00 0.29 O ATOM 0 H TYR A 455 10.109 -6.014 -0.413 1.00 0.16 H new ATOM 0 HA TYR A 455 9.064 -5.872 2.341 1.00 0.16 H new ATOM 0 HB2 TYR A 455 8.947 -3.777 0.136 1.00 0.23 H new ATOM 0 HB3 TYR A 455 7.914 -3.741 1.551 1.00 0.23 H new ATOM 0 HD1 TYR A 455 8.906 -3.318 3.811 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.278 -3.129 0.274 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.639 -2.082 5.038 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.016 -1.910 1.505 1.00 0.30 H new ATOM 0 HH TYR A 455 12.888 -1.487 4.974 1.00 0.29 H new ATOM 889 N ASN A 456 6.981 -6.928 1.526 1.00 0.12 N ATOM 890 CA ASN A 456 5.679 -7.425 1.118 1.00 0.12 C ATOM 891 C ASN A 456 4.682 -6.301 1.275 1.00 0.13 C ATOM 892 O ASN A 456 4.216 -6.004 2.378 1.00 0.15 O ATOM 893 CB ASN A 456 5.263 -8.662 1.932 1.00 0.14 C ATOM 894 CG ASN A 456 4.071 -9.402 1.317 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.797 -9.264 0.127 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.365 -10.229 2.103 1.00 0.20 N ATOM 0 H ASN A 456 7.255 -7.181 2.475 1.00 0.12 H new ATOM 0 HA ASN A 456 5.718 -7.746 0.077 1.00 0.12 H new ATOM 0 HB2 ASN A 456 6.110 -9.344 2.006 1.00 0.14 H new ATOM 0 HB3 ASN A 456 5.011 -8.356 2.947 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.584 -10.758 1.715 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.609 -10.329 3.088 1.00 0.20 H new ATOM 903 N ILE A 457 4.400 -5.660 0.160 1.00 0.13 N ATOM 904 CA ILE A 457 3.592 -4.465 0.134 1.00 0.14 C ATOM 905 C ILE A 457 2.118 -4.819 0.044 1.00 0.14 C ATOM 906 O ILE A 457 1.648 -5.367 -0.954 1.00 0.18 O ATOM 907 CB ILE A 457 4.005 -3.567 -1.048 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.412 -3.004 -0.816 1.00 0.19 C ATOM 909 CG2 ILE A 457 2.998 -2.432 -1.250 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.913 -2.127 -1.945 1.00 0.22 C ATOM 0 H ILE A 457 4.729 -5.958 -0.759 1.00 0.13 H new ATOM 0 HA ILE A 457 3.756 -3.916 1.061 1.00 0.14 H new ATOM 0 HB ILE A 457 4.014 -4.173 -1.954 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.414 -2.427 0.109 1.00 0.19 H new ATOM 0 HG13 ILE A 457 6.106 -3.833 -0.676 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.312 -1.812 -2.090 1.00 0.18 H new ATOM 0 HG22 ILE A 457 2.013 -2.852 -1.457 1.00 0.18 H new ATOM 0 HG23 ILE A 457 2.951 -1.823 -0.347 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.914 -1.766 -1.709 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.944 -2.705 -2.868 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.242 -1.278 -2.071 1.00 0.22 H new ATOM 922 N ILE A 458 1.405 -4.518 1.105 1.00 0.16 N ATOM 923 CA ILE A 458 -0.007 -4.811 1.194 1.00 0.18 C ATOM 924 C ILE A 458 -0.797 -3.526 1.352 1.00 0.20 C ATOM 925 O ILE A 458 -0.501 -2.719 2.220 1.00 0.29 O ATOM 926 CB ILE A 458 -0.286 -5.748 2.375 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.294 -7.124 2.070 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.771 -5.842 2.660 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.150 -8.103 3.201 1.00 0.27 C ATOM 0 H ILE A 458 1.789 -4.062 1.933 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.317 -5.307 0.275 1.00 0.18 H new ATOM 0 HB ILE A 458 0.191 -5.344 3.268 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.198 -7.529 1.186 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.351 -7.017 1.825 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -1.938 -6.513 3.502 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.158 -4.852 2.902 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.287 -6.228 1.781 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.585 -9.060 2.912 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.667 -7.721 4.081 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -0.907 -8.240 3.431 1.00 0.27 H new ATOM 941 N VAL A 459 -1.787 -3.329 0.506 1.00 0.17 N ATOM 942 CA VAL A 459 -2.581 -2.121 0.554 1.00 0.18 C ATOM 943 C VAL A 459 -3.941 -2.430 1.149 1.00 0.18 C ATOM 944 O VAL A 459 -4.679 -3.274 0.630 1.00 0.23 O ATOM 945 CB VAL A 459 -2.759 -1.495 -0.843 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.390 -0.116 -0.745 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.433 -1.436 -1.595 1.00 0.20 C ATOM 0 H VAL A 459 -2.060 -3.989 -0.222 1.00 0.17 H new ATOM 0 HA VAL A 459 -2.053 -1.400 1.178 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.435 -2.135 -1.410 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.505 0.304 -1.744 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.368 -0.196 -0.271 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.750 0.535 -0.149 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.591 -0.990 -2.577 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.722 -0.832 -1.032 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -1.037 -2.445 -1.714 1.00 0.20 H new ATOM 957 N GLU A 460 -4.260 -1.759 2.239 1.00 0.18 N ATOM 958 CA GLU A 460 -5.509 -1.983 2.934 1.00 0.22 C ATOM 959 C GLU A 460 -6.338 -0.708 2.926 1.00 0.21 C ATOM 960 O GLU A 460 -5.877 0.352 3.350 1.00 0.30 O ATOM 961 CB GLU A 460 -5.250 -2.440 4.372 1.00 0.30 C ATOM 962 CG GLU A 460 -4.484 -3.751 4.484 1.00 0.36 C ATOM 963 CD GLU A 460 -4.191 -4.139 5.920 1.00 0.60 C ATOM 964 OE1 GLU A 460 -3.063 -3.876 6.390 1.00 0.79 O ATOM 965 OE2 GLU A 460 -5.086 -4.703 6.589 1.00 0.82 O ATOM 0 H GLU A 460 -3.664 -1.048 2.664 1.00 0.18 H new ATOM 0 HA GLU A 460 -6.061 -2.770 2.420 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -4.693 -1.662 4.894 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.206 -2.546 4.885 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.060 -4.545 4.008 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.545 -3.666 3.937 1.00 0.36 H new ATOM 972 N ALA A 461 -7.558 -0.817 2.440 1.00 0.16 N ATOM 973 CA ALA A 461 -8.436 0.330 2.323 1.00 0.15 C ATOM 974 C ALA A 461 -9.183 0.572 3.608 1.00 0.14 C ATOM 975 O ALA A 461 -9.974 -0.260 4.049 1.00 0.17 O ATOM 976 CB ALA A 461 -9.418 0.137 1.179 1.00 0.16 C ATOM 0 H ALA A 461 -7.966 -1.694 2.118 1.00 0.16 H new ATOM 0 HA ALA A 461 -7.818 1.203 2.114 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.069 1.009 1.107 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -8.869 0.016 0.245 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.021 -0.752 1.363 1.00 0.16 H new ATOM 982 N LEU A 462 -8.915 1.717 4.200 1.00 0.16 N ATOM 983 CA LEU A 462 -9.594 2.137 5.394 1.00 0.20 C ATOM 984 C LEU A 462 -10.930 2.737 4.984 1.00 0.22 C ATOM 985 O LEU A 462 -11.008 3.886 4.551 1.00 0.24 O ATOM 986 CB LEU A 462 -8.759 3.156 6.168 1.00 0.25 C ATOM 987 CG LEU A 462 -8.878 3.048 7.691 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.108 4.151 8.371 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.324 3.075 8.140 1.00 0.78 C ATOM 0 H LEU A 462 -8.218 2.380 3.861 1.00 0.16 H new ATOM 0 HA LEU A 462 -9.750 1.283 6.054 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -7.712 3.037 5.889 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.058 4.159 5.863 1.00 0.25 H new ATOM 0 HG LEU A 462 -8.449 2.088 7.980 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.208 4.052 9.452 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.055 4.082 8.097 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.503 5.117 8.057 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -10.369 2.996 9.226 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -10.786 4.011 7.824 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -10.859 2.237 7.693 1.00 0.78 H new ATOM 1001 N LYS A 463 -11.964 1.939 5.102 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.283 2.297 4.646 1.00 0.30 C ATOM 1003 C LYS A 463 -14.295 1.761 5.625 1.00 0.40 C ATOM 1004 O LYS A 463 -14.233 0.579 5.979 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.525 1.695 3.263 1.00 0.31 C ATOM 1006 CG LYS A 463 -14.971 1.766 2.801 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.356 3.133 2.255 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.842 3.188 1.941 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.224 4.463 1.288 1.00 1.62 N ATOM 0 H LYS A 463 -11.911 1.011 5.523 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.376 3.381 4.580 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -12.897 2.213 2.538 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.208 0.652 3.272 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.137 1.013 2.030 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.626 1.517 3.636 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -15.104 3.905 2.983 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.781 3.345 1.354 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -17.106 2.354 1.291 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -17.412 3.067 2.862 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -17.940 4.948 1.866 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -16.385 5.070 1.195 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -17.616 4.266 0.345 1.00 1.62 H new ATOM 1023 N ASP A 464 -15.200 2.621 6.085 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.255 2.171 7.011 1.00 0.61 C ATOM 1025 C ASP A 464 -15.630 1.610 8.262 1.00 0.51 C ATOM 1026 O ASP A 464 -16.025 0.571 8.789 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.123 1.119 6.328 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.579 1.203 6.741 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -19.010 0.404 7.601 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -19.305 2.073 6.211 1.00 1.15 O ATOM 0 H ASP A 464 -15.232 3.612 5.844 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.883 3.018 7.286 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -17.049 1.239 5.247 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -16.739 0.127 6.566 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.629 2.335 8.692 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.857 2.047 9.889 1.00 0.49 C ATOM 1037 C GLN A 465 -13.055 0.746 9.784 1.00 0.44 C ATOM 1038 O GLN A 465 -12.435 0.322 10.760 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.759 2.008 11.122 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.550 3.284 11.323 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.388 3.270 12.586 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -16.037 2.630 13.577 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -17.508 3.969 12.555 1.00 1.39 N ATOM 0 H GLN A 465 -14.312 3.174 8.206 1.00 0.52 H new ATOM 0 HA GLN A 465 -13.138 2.860 9.992 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.450 1.170 11.032 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -14.148 1.824 12.006 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -14.862 4.129 11.359 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.202 3.440 10.463 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -17.763 4.486 11.714 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -18.118 3.992 13.372 1.00 1.39 H new ATOM 1052 N GLN A 466 -13.051 0.120 8.616 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.329 -1.133 8.434 1.00 0.36 C ATOM 1054 C GLN A 466 -11.233 -1.002 7.402 1.00 0.28 C ATOM 1055 O GLN A 466 -11.166 -0.024 6.671 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.286 -2.240 8.016 1.00 0.54 C ATOM 1057 CG GLN A 466 -14.231 -2.649 9.110 1.00 1.20 C ATOM 1058 CD GLN A 466 -15.196 -3.735 8.681 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -15.574 -3.826 7.512 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -15.600 -4.569 9.624 1.00 2.13 N ATOM 0 H GLN A 466 -13.536 0.456 7.784 1.00 0.36 H new ATOM 0 HA GLN A 466 -11.871 -1.384 9.391 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -13.862 -1.907 7.153 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -12.710 -3.109 7.699 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -13.656 -2.999 9.967 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -14.796 -1.777 9.439 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -15.263 -4.459 10.580 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -16.249 -5.322 9.395 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.386 -2.009 7.353 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.266 -2.031 6.426 1.00 0.30 C ATOM 1071 C ARG A 467 -9.348 -3.260 5.533 1.00 0.33 C ATOM 1072 O ARG A 467 -9.283 -4.391 6.009 1.00 0.51 O ATOM 1073 CB ARG A 467 -7.955 -2.014 7.200 1.00 0.36 C ATOM 1074 CG ARG A 467 -7.744 -0.732 7.985 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.642 -0.899 9.005 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.377 0.334 9.748 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.205 0.619 10.323 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -4.186 -0.223 10.205 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -5.055 1.747 11.007 1.00 2.58 N ATOM 0 H ARG A 467 -10.451 -2.833 7.950 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.308 -1.145 5.792 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -7.934 -2.861 7.886 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.127 -2.147 6.504 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.493 0.080 7.302 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.670 -0.452 8.487 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -6.915 -1.690 9.704 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -5.730 -1.219 8.501 1.00 0.43 H new ATOM 0 HE ARG A 467 -7.131 1.016 9.832 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -4.298 -1.088 9.675 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -3.291 -0.006 10.644 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -5.835 2.398 11.094 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -4.159 1.963 11.445 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.492 -3.027 4.238 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.758 -4.108 3.293 1.00 0.32 C ATOM 1095 C HIS A 468 -8.581 -4.303 2.317 1.00 0.24 C ATOM 1096 O HIS A 468 -8.177 -3.348 1.658 1.00 0.27 O ATOM 1097 CB HIS A 468 -11.030 -3.793 2.492 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.208 -3.415 3.341 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -12.988 -4.330 4.012 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -12.734 -2.200 3.628 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -13.940 -3.696 4.671 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -13.809 -2.400 4.455 1.00 1.25 N ATOM 0 H HIS A 468 -9.430 -2.101 3.814 1.00 0.28 H new ATOM 0 HA HIS A 468 -9.890 -5.028 3.863 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -10.818 -2.979 1.799 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -11.293 -4.663 1.890 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.372 -1.247 3.270 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -14.699 -4.160 5.284 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.408 -1.669 4.839 1.00 1.25 H new ATOM 1111 N LYS A 469 -8.013 -5.523 2.261 1.00 0.27 N ATOM 1112 CA LYS A 469 -7.004 -5.882 1.213 1.00 0.40 C ATOM 1113 C LYS A 469 -7.455 -5.404 -0.167 1.00 0.29 C ATOM 1114 O LYS A 469 -8.515 -5.803 -0.656 1.00 0.37 O ATOM 1115 CB LYS A 469 -6.751 -7.403 1.097 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.811 -7.782 -0.039 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.352 -7.455 0.248 1.00 0.70 C ATOM 1118 CE LYS A 469 -3.812 -8.245 1.436 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.084 -9.704 1.342 1.00 0.84 N ATOM 0 H LYS A 469 -8.224 -6.277 2.915 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.085 -5.389 1.531 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -6.335 -7.766 2.037 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -7.705 -7.911 0.953 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -5.904 -8.850 -0.237 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.121 -7.262 -0.946 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -3.751 -7.673 -0.635 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.252 -6.388 0.447 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -2.736 -8.087 1.510 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -4.255 -7.858 2.353 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -3.800 -10.168 2.228 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -5.100 -9.858 1.181 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -3.543 -10.108 0.551 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.651 -4.557 -0.785 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.909 -4.105 -2.148 1.00 0.18 C ATOM 1135 C VAL A 470 -5.904 -4.720 -3.101 1.00 0.18 C ATOM 1136 O VAL A 470 -6.261 -5.256 -4.150 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.819 -2.579 -2.250 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -7.180 -2.094 -3.650 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.708 -1.942 -1.209 1.00 0.59 C ATOM 0 H VAL A 470 -5.809 -4.164 -0.365 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.918 -4.420 -2.416 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.788 -2.280 -2.061 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -7.106 -1.007 -3.689 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.493 -2.530 -4.375 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -8.199 -2.397 -3.889 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.640 -0.857 -1.287 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.740 -2.253 -1.372 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.387 -2.256 -0.216 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.645 -4.652 -2.711 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.565 -5.166 -3.522 1.00 0.19 C ATOM 1151 C ARG A 471 -2.444 -5.640 -2.617 1.00 0.18 C ATOM 1152 O ARG A 471 -2.239 -5.087 -1.536 1.00 0.22 O ATOM 1153 CB ARG A 471 -3.060 -4.098 -4.493 1.00 0.28 C ATOM 1154 CG ARG A 471 -2.066 -4.653 -5.506 1.00 0.77 C ATOM 1155 CD ARG A 471 -2.211 -4.024 -6.877 1.00 0.52 C ATOM 1156 NE ARG A 471 -1.163 -4.467 -7.797 1.00 1.18 N ATOM 1157 CZ ARG A 471 -0.911 -3.893 -8.978 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -1.628 -2.852 -9.383 1.00 1.39 N ATOM 1159 NH2 ARG A 471 0.057 -4.363 -9.752 1.00 2.13 N ATOM 0 H ARG A 471 -4.346 -4.240 -1.827 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.930 -6.006 -4.114 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.908 -3.662 -5.022 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.588 -3.293 -3.929 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -1.052 -4.488 -5.141 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -2.203 -5.731 -5.590 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -3.187 -4.277 -7.291 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -2.176 -2.939 -6.783 1.00 0.52 H new ATOM 0 HE ARG A 471 -0.589 -5.263 -7.520 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -2.375 -2.486 -8.792 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -1.432 -2.418 -10.285 1.00 1.39 H new ATOM 0 HH21 ARG A 471 0.611 -5.163 -9.447 1.00 2.13 H new ATOM 0 HH22 ARG A 471 0.248 -3.924 -10.653 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.740 -6.668 -3.045 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.654 -7.230 -2.263 1.00 0.18 C ATOM 1175 C GLU A 472 0.444 -7.749 -3.170 1.00 0.18 C ATOM 1176 O GLU A 472 0.180 -8.487 -4.124 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.177 -8.346 -1.361 1.00 0.21 C ATOM 1178 CG GLU A 472 -0.129 -9.388 -1.008 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.608 -10.361 0.046 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.240 -10.957 0.741 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.838 -10.537 0.180 1.00 0.65 O ATOM 0 H GLU A 472 -1.901 -7.135 -3.937 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.234 -6.443 -1.636 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.564 -7.907 -0.442 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -2.014 -8.839 -1.856 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.147 -9.939 -1.907 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.771 -8.887 -0.652 1.00 0.21 H new ATOM 1188 N GLU A 473 1.667 -7.338 -2.887 1.00 0.16 N ATOM 1189 CA GLU A 473 2.812 -7.776 -3.664 1.00 0.17 C ATOM 1190 C GLU A 473 4.096 -7.525 -2.931 1.00 0.20 C ATOM 1191 O GLU A 473 4.349 -6.423 -2.451 1.00 0.26 O ATOM 1192 CB GLU A 473 2.839 -7.088 -5.033 1.00 0.23 C ATOM 1193 CG GLU A 473 4.008 -7.499 -5.913 1.00 0.27 C ATOM 1194 CD GLU A 473 3.903 -8.930 -6.390 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.249 -9.844 -5.607 1.00 2.26 O ATOM 1196 OE2 GLU A 473 3.483 -9.154 -7.544 1.00 1.25 O ATOM 0 H GLU A 473 1.893 -6.700 -2.123 1.00 0.16 H new ATOM 0 HA GLU A 473 2.713 -8.851 -3.817 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.909 -7.309 -5.557 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.872 -6.009 -4.884 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.059 -6.835 -6.776 1.00 0.27 H new ATOM 0 HG3 GLU A 473 4.938 -7.372 -5.358 1.00 0.27 H new ATOM 1203 N VAL A 474 4.912 -8.550 -2.851 1.00 0.24 N ATOM 1204 CA VAL A 474 6.178 -8.413 -2.206 1.00 0.28 C ATOM 1205 C VAL A 474 7.301 -8.169 -3.202 1.00 0.21 C ATOM 1206 O VAL A 474 7.500 -8.922 -4.156 1.00 0.28 O ATOM 1207 CB VAL A 474 6.483 -9.590 -1.253 1.00 0.49 C ATOM 1208 CG1 VAL A 474 6.067 -10.923 -1.828 1.00 0.80 C ATOM 1209 CG2 VAL A 474 7.945 -9.616 -0.848 1.00 1.22 C ATOM 0 H VAL A 474 4.716 -9.479 -3.225 1.00 0.24 H new ATOM 0 HA VAL A 474 6.115 -7.523 -1.580 1.00 0.28 H new ATOM 0 HB VAL A 474 5.883 -9.421 -0.359 1.00 0.49 H new ATOM 0 HG11 VAL A 474 6.304 -11.715 -1.118 1.00 0.80 H new ATOM 0 HG12 VAL A 474 4.994 -10.917 -2.021 1.00 0.80 H new ATOM 0 HG13 VAL A 474 6.602 -11.100 -2.761 1.00 0.80 H new ATOM 0 HG21 VAL A 474 8.122 -10.457 -0.178 1.00 1.22 H new ATOM 0 HG22 VAL A 474 8.567 -9.723 -1.737 1.00 1.22 H new ATOM 0 HG23 VAL A 474 8.198 -8.686 -0.338 1.00 1.22 H new ATOM 1219 N VAL A 475 8.011 -7.079 -2.963 1.00 0.19 N ATOM 1220 CA VAL A 475 9.023 -6.579 -3.867 1.00 0.19 C ATOM 1221 C VAL A 475 10.339 -6.400 -3.169 1.00 0.19 C ATOM 1222 O VAL A 475 10.417 -5.930 -2.037 1.00 0.26 O ATOM 1223 CB VAL A 475 8.634 -5.207 -4.445 1.00 0.22 C ATOM 1224 CG1 VAL A 475 9.002 -5.134 -5.909 1.00 0.41 C ATOM 1225 CG2 VAL A 475 7.155 -4.904 -4.230 1.00 0.32 C ATOM 0 H VAL A 475 7.896 -6.512 -2.123 1.00 0.19 H new ATOM 0 HA VAL A 475 9.107 -7.319 -4.663 1.00 0.19 H new ATOM 0 HB VAL A 475 9.196 -4.442 -3.909 1.00 0.22 H new ATOM 0 HG11 VAL A 475 8.722 -4.158 -6.306 1.00 0.41 H new ATOM 0 HG12 VAL A 475 10.077 -5.277 -6.022 1.00 0.41 H new ATOM 0 HG13 VAL A 475 8.473 -5.914 -6.456 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.919 -3.927 -4.652 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.552 -5.667 -4.722 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.936 -4.901 -3.162 1.00 0.32 H new ATOM 1235 N THR A 476 11.352 -6.796 -3.870 1.00 0.24 N ATOM 1236 CA THR A 476 12.701 -6.477 -3.531 1.00 0.24 C ATOM 1237 C THR A 476 13.043 -5.134 -4.142 1.00 0.26 C ATOM 1238 O THR A 476 12.904 -4.930 -5.348 1.00 0.33 O ATOM 1239 CB THR A 476 13.601 -7.560 -4.093 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.378 -8.796 -3.401 1.00 0.32 O ATOM 1241 CG2 THR A 476 15.073 -7.163 -4.028 1.00 0.38 C ATOM 0 H THR A 476 11.262 -7.363 -4.713 1.00 0.24 H new ATOM 0 HA THR A 476 12.835 -6.422 -2.451 1.00 0.24 H new ATOM 0 HB THR A 476 13.348 -7.692 -5.145 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.443 -8.646 -2.435 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.685 -7.965 -4.440 1.00 0.38 H new ATOM 0 HG22 THR A 476 15.230 -6.253 -4.607 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.357 -6.987 -2.990 1.00 0.38 H new ATOM 1249 N VAL A 477 13.463 -4.218 -3.308 1.00 0.25 N ATOM 1250 CA VAL A 477 13.659 -2.850 -3.724 1.00 0.29 C ATOM 1251 C VAL A 477 15.087 -2.598 -4.188 1.00 0.33 C ATOM 1252 O VAL A 477 16.043 -3.020 -3.544 1.00 0.37 O ATOM 1253 CB VAL A 477 13.290 -1.914 -2.565 1.00 0.28 C ATOM 1254 CG1 VAL A 477 13.673 -0.470 -2.856 1.00 0.35 C ATOM 1255 CG2 VAL A 477 11.804 -2.029 -2.284 1.00 0.31 C ATOM 0 H VAL A 477 13.678 -4.396 -2.327 1.00 0.25 H new ATOM 0 HA VAL A 477 13.010 -2.651 -4.577 1.00 0.29 H new ATOM 0 HB VAL A 477 13.855 -2.219 -1.684 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.394 0.158 -2.010 1.00 0.35 H new ATOM 0 HG12 VAL A 477 14.749 -0.404 -3.017 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.151 -0.128 -3.749 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.537 -1.366 -1.461 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.242 -1.747 -3.175 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.563 -3.057 -2.014 1.00 0.31 H new ATOM 1265 N GLY A 478 15.217 -1.925 -5.320 1.00 0.43 N ATOM 1266 CA GLY A 478 16.518 -1.543 -5.821 1.00 0.53 C ATOM 1267 C GLY A 478 16.770 -2.038 -7.238 1.00 1.15 C ATOM 1268 O GLY A 478 16.495 -1.310 -8.192 1.00 1.69 O ATOM 0 H GLY A 478 14.434 -1.634 -5.906 1.00 0.43 H new ATOM 0 HA2 GLY A 478 16.607 -0.457 -5.799 1.00 0.53 H new ATOM 0 HA3 GLY A 478 17.288 -1.939 -5.160 1.00 0.53 H new ATOM 1272 N ASN A 479 17.235 -3.288 -7.393 1.00 1.80 N ATOM 1273 CA ASN A 479 17.661 -3.800 -8.706 1.00 2.82 C ATOM 1274 C ASN A 479 18.338 -5.140 -8.539 1.00 3.58 C ATOM 1275 O ASN A 479 19.277 -5.461 -9.271 1.00 4.40 O ATOM 1276 CB ASN A 479 18.658 -2.858 -9.417 1.00 3.20 C ATOM 1277 CG ASN A 479 18.115 -2.297 -10.718 1.00 3.99 C ATOM 1278 OD1 ASN A 479 17.317 -3.083 -11.425 1.00 4.47 O flip ATOM 1279 ND2 ASN A 479 18.430 -1.168 -11.096 1.00 4.61 N flip ATOM 0 H ASN A 479 17.325 -3.959 -6.631 1.00 1.80 H new ATOM 0 HA ASN A 479 16.760 -3.879 -9.314 1.00 2.82 H new ATOM 0 HB2 ASN A 479 18.911 -2.034 -8.749 1.00 3.20 H new ATOM 0 HB3 ASN A 479 19.582 -3.400 -9.618 1.00 3.20 H new ATOM 0 HD21 ASN A 479 19.047 -0.592 -10.523 1.00 4.61 H new ATOM 0 HD22 ASN A 479 18.074 -0.809 -11.982 1.00 4.61 H new ATOM 1286 N SER A 480 17.875 -5.926 -7.587 1.00 3.56 N ATOM 1287 CA SER A 480 18.617 -7.112 -7.209 1.00 4.40 C ATOM 1288 C SER A 480 17.712 -8.142 -6.540 1.00 4.81 C ATOM 1289 O SER A 480 17.792 -8.305 -5.305 1.00 4.88 O ATOM 1290 CB SER A 480 19.754 -6.670 -6.287 1.00 4.37 C ATOM 1291 OG SER A 480 19.252 -5.997 -5.140 1.00 4.36 O ATOM 1292 OXT SER A 480 16.907 -8.773 -7.255 1.00 5.40 O ATOM 0 H SER A 480 17.009 -5.771 -7.071 1.00 3.56 H new ATOM 0 HA SER A 480 19.026 -7.601 -8.093 1.00 4.40 H new ATOM 0 HB2 SER A 480 20.334 -7.540 -5.977 1.00 4.37 H new ATOM 0 HB3 SER A 480 20.432 -6.012 -6.831 1.00 4.37 H new ATOM 0 HG SER A 480 18.559 -6.545 -4.716 1.00 4.36 H new TER 1298 SER A 480