USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 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 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 2.02 (180deg=1.95) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.145 (180deg=-0.66) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0.805 K(o=0.81,f=-5.7!) USER MOD Single : A 33 ASN : amide:sc= -0.65 K(o=-0.65,f=0) USER MOD Single : A 40 GLN : amide:sc=-0.00773 K(o=-0.0077,f=-0.96) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.464 K(o=-0.46,f=0.11) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0541) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0644 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -141:sc= -0.0723 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 73:sc= 0.279 USER MOD Single : A 75 TYR OH : rot 48:sc= 1.24 USER MOD Single : A 76 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 19 -0.148 -0.552 1.191 1.00 12.24 N ATOM 2 CA LYS A 19 0.292 -0.839 -0.194 1.00 15.13 C ATOM 3 C LYS A 19 -0.585 -0.073 -1.180 1.00 25.33 C ATOM 4 O LYS A 19 -0.971 -0.602 -2.220 1.00 75.14 O ATOM 5 CB LYS A 19 0.178 -2.343 -0.471 1.00 74.24 C ATOM 6 CG LYS A 19 1.154 -2.850 -1.521 1.00 71.22 C ATOM 7 CD LYS A 19 2.571 -2.851 -0.977 1.00 53.04 C ATOM 8 CE LYS A 19 2.728 -3.878 0.136 1.00 51.35 C ATOM 9 NZ LYS A 19 3.975 -3.674 0.914 1.00 12.34 N ATOM 0 HA LYS A 19 1.329 -0.527 -0.313 1.00 15.13 H new ATOM 0 HB2 LYS A 19 0.344 -2.888 0.459 1.00 74.24 H new ATOM 0 HB3 LYS A 19 -0.838 -2.567 -0.795 1.00 74.24 H new ATOM 0 HG2 LYS A 19 0.876 -3.858 -1.827 1.00 71.22 H new ATOM 0 HG3 LYS A 19 1.100 -2.221 -2.409 1.00 71.22 H new ATOM 0 HD2 LYS A 19 3.273 -3.071 -1.781 1.00 53.04 H new ATOM 0 HD3 LYS A 19 2.820 -1.859 -0.599 1.00 53.04 H new ATOM 0 HE2 LYS A 19 1.870 -3.820 0.806 1.00 51.35 H new ATOM 0 HE3 LYS A 19 2.729 -4.880 -0.294 1.00 51.35 H new ATOM 0 HZ1 LYS A 19 4.040 -4.395 1.660 1.00 12.34 H new ATOM 0 HZ2 LYS A 19 4.796 -3.755 0.281 1.00 12.34 H new ATOM 0 HZ3 LYS A 19 3.964 -2.728 1.346 1.00 12.34 H new ATOM 25 N ASP A 20 -0.883 1.183 -0.865 1.00 11.43 N ATOM 26 CA ASP A 20 -1.908 1.916 -1.603 1.00 70.33 C ATOM 27 C ASP A 20 -1.611 3.410 -1.681 1.00 75.52 C ATOM 28 O ASP A 20 -2.527 4.234 -1.687 1.00 74.55 O ATOM 29 CB ASP A 20 -3.265 1.704 -0.932 1.00 14.21 C ATOM 30 CG ASP A 20 -3.216 1.990 0.558 1.00 63.41 C ATOM 31 OD1 ASP A 20 -3.239 3.172 0.948 1.00 73.31 O ATOM 32 OD2 ASP A 20 -3.120 1.029 1.349 1.00 14.31 O ATOM 0 H ASP A 20 -0.437 1.710 -0.114 1.00 11.43 H new ATOM 0 HA ASP A 20 -1.918 1.529 -2.622 1.00 70.33 H new ATOM 0 HB2 ASP A 20 -4.006 2.352 -1.401 1.00 14.21 H new ATOM 0 HB3 ASP A 20 -3.592 0.677 -1.093 1.00 14.21 H new ATOM 37 N LYS A 21 -0.343 3.766 -1.765 1.00 42.03 N ATOM 38 CA LYS A 21 0.026 5.170 -1.862 1.00 63.22 C ATOM 39 C LYS A 21 -0.021 5.628 -3.318 1.00 5.33 C ATOM 40 O LYS A 21 0.733 5.133 -4.157 1.00 50.51 O ATOM 41 CB LYS A 21 1.415 5.409 -1.263 1.00 60.13 C ATOM 42 CG LYS A 21 1.531 5.074 0.224 1.00 44.54 C ATOM 43 CD LYS A 21 0.678 5.988 1.103 1.00 22.53 C ATOM 44 CE LYS A 21 -0.775 5.532 1.167 1.00 14.13 C ATOM 45 NZ LYS A 21 -0.929 4.227 1.868 1.00 72.23 N ATOM 0 H LYS A 21 0.441 3.114 -1.768 1.00 42.03 H new ATOM 0 HA LYS A 21 -0.692 5.757 -1.290 1.00 63.22 H new ATOM 0 HB2 LYS A 21 2.142 4.813 -1.814 1.00 60.13 H new ATOM 0 HB3 LYS A 21 1.684 6.455 -1.409 1.00 60.13 H new ATOM 0 HG2 LYS A 21 1.230 4.039 0.384 1.00 44.54 H new ATOM 0 HG3 LYS A 21 2.574 5.153 0.530 1.00 44.54 H new ATOM 0 HD2 LYS A 21 1.094 6.013 2.110 1.00 22.53 H new ATOM 0 HD3 LYS A 21 0.721 7.006 0.715 1.00 22.53 H new ATOM 0 HE2 LYS A 21 -1.369 6.289 1.679 1.00 14.13 H new ATOM 0 HE3 LYS A 21 -1.171 5.447 0.155 1.00 14.13 H new ATOM 0 HZ1 LYS A 21 -1.929 3.943 1.856 1.00 72.23 H new ATOM 0 HZ2 LYS A 21 -0.358 3.504 1.385 1.00 72.23 H new ATOM 0 HZ3 LYS A 21 -0.608 4.322 2.853 1.00 72.23 H new ATOM 59 N ASP A 22 -0.918 6.565 -3.608 1.00 3.34 N ATOM 60 CA ASP A 22 -1.119 7.045 -4.973 1.00 44.21 C ATOM 61 C ASP A 22 0.073 7.859 -5.440 1.00 71.44 C ATOM 62 O ASP A 22 0.467 8.828 -4.793 1.00 10.15 O ATOM 63 CB ASP A 22 -2.375 7.916 -5.075 1.00 0.24 C ATOM 64 CG ASP A 22 -3.605 7.260 -4.492 1.00 2.42 C ATOM 65 OD1 ASP A 22 -4.170 6.358 -5.136 1.00 2.42 O ATOM 66 OD2 ASP A 22 -4.021 7.667 -3.385 1.00 1.03 O ATOM 0 H ASP A 22 -1.520 7.009 -2.914 1.00 3.34 H new ATOM 0 HA ASP A 22 -1.236 6.166 -5.607 1.00 44.21 H new ATOM 0 HB2 ASP A 22 -2.197 8.860 -4.561 1.00 0.24 H new ATOM 0 HB3 ASP A 22 -2.560 8.154 -6.123 1.00 0.24 H new ATOM 71 N LEU A 23 0.644 7.462 -6.562 1.00 34.42 N ATOM 72 CA LEU A 23 1.751 8.197 -7.153 1.00 31.12 C ATOM 73 C LEU A 23 1.282 8.954 -8.393 1.00 15.34 C ATOM 74 O LEU A 23 1.884 9.952 -8.789 1.00 51.24 O ATOM 75 CB LEU A 23 2.884 7.235 -7.520 1.00 45.25 C ATOM 76 CG LEU A 23 4.168 7.890 -8.035 1.00 2.32 C ATOM 77 CD1 LEU A 23 4.767 8.797 -6.971 1.00 24.44 C ATOM 78 CD2 LEU A 23 5.172 6.827 -8.462 1.00 41.23 C ATOM 0 H LEU A 23 0.360 6.633 -7.085 1.00 34.42 H new ATOM 0 HA LEU A 23 2.122 8.917 -6.424 1.00 31.12 H new ATOM 0 HB2 LEU A 23 3.129 6.639 -6.641 1.00 45.25 H new ATOM 0 HB3 LEU A 23 2.519 6.546 -8.281 1.00 45.25 H new ATOM 0 HG LEU A 23 3.922 8.499 -8.905 1.00 2.32 H new ATOM 0 HD11 LEU A 23 5.679 9.254 -7.354 1.00 24.44 H new ATOM 0 HD12 LEU A 23 4.051 9.577 -6.713 1.00 24.44 H new ATOM 0 HD13 LEU A 23 5.001 8.210 -6.083 1.00 24.44 H new ATOM 0 HD21 LEU A 23 6.080 7.309 -8.826 1.00 41.23 H new ATOM 0 HD22 LEU A 23 5.415 6.192 -7.610 1.00 41.23 H new ATOM 0 HD23 LEU A 23 4.741 6.218 -9.257 1.00 41.23 H new ATOM 90 N LEU A 24 0.195 8.479 -8.989 1.00 12.11 N ATOM 91 CA LEU A 24 -0.322 9.047 -10.227 1.00 71.51 C ATOM 92 C LEU A 24 -1.846 9.099 -10.181 1.00 25.43 C ATOM 93 O LEU A 24 -2.463 8.410 -9.373 1.00 73.12 O ATOM 94 CB LEU A 24 0.125 8.194 -11.422 1.00 74.34 C ATOM 95 CG LEU A 24 1.638 8.031 -11.591 1.00 53.22 C ATOM 96 CD1 LEU A 24 1.942 6.929 -12.594 1.00 21.32 C ATOM 97 CD2 LEU A 24 2.274 9.342 -12.031 1.00 34.32 C ATOM 0 H LEU A 24 -0.349 7.695 -8.630 1.00 12.11 H new ATOM 0 HA LEU A 24 0.069 10.058 -10.339 1.00 71.51 H new ATOM 0 HB2 LEU A 24 -0.320 7.204 -11.325 1.00 74.34 H new ATOM 0 HB3 LEU A 24 -0.278 8.637 -12.333 1.00 74.34 H new ATOM 0 HG LEU A 24 2.064 7.751 -10.627 1.00 53.22 H new ATOM 0 HD11 LEU A 24 3.021 6.825 -12.704 1.00 21.32 H new ATOM 0 HD12 LEU A 24 1.521 5.988 -12.240 1.00 21.32 H new ATOM 0 HD13 LEU A 24 1.502 7.183 -13.558 1.00 21.32 H new ATOM 0 HD21 LEU A 24 3.349 9.204 -12.145 1.00 34.32 H new ATOM 0 HD22 LEU A 24 1.845 9.653 -12.983 1.00 34.32 H new ATOM 0 HD23 LEU A 24 2.084 10.109 -11.280 1.00 34.32 H new ATOM 109 N LYS A 25 -2.444 9.931 -11.024 1.00 0.41 N ATOM 110 CA LYS A 25 -3.897 9.965 -11.161 1.00 62.30 C ATOM 111 C LYS A 25 -4.307 9.864 -12.624 1.00 13.11 C ATOM 112 O LYS A 25 -4.020 10.760 -13.422 1.00 1.41 O ATOM 113 CB LYS A 25 -4.495 11.251 -10.573 1.00 4.32 C ATOM 114 CG LYS A 25 -4.722 11.220 -9.070 1.00 52.43 C ATOM 115 CD LYS A 25 -3.446 11.476 -8.292 1.00 0.24 C ATOM 116 CE LYS A 25 -3.720 11.545 -6.800 1.00 2.20 C ATOM 117 NZ LYS A 25 -4.778 12.538 -6.477 1.00 31.05 N ATOM 0 H LYS A 25 -1.948 10.591 -11.623 1.00 0.41 H new ATOM 0 HA LYS A 25 -4.282 9.109 -10.607 1.00 62.30 H new ATOM 0 HB2 LYS A 25 -3.833 12.084 -10.809 1.00 4.32 H new ATOM 0 HB3 LYS A 25 -5.446 11.451 -11.066 1.00 4.32 H new ATOM 0 HG2 LYS A 25 -5.466 11.970 -8.801 1.00 52.43 H new ATOM 0 HG3 LYS A 25 -5.130 10.250 -8.786 1.00 52.43 H new ATOM 0 HD2 LYS A 25 -2.726 10.683 -8.496 1.00 0.24 H new ATOM 0 HD3 LYS A 25 -2.994 12.410 -8.626 1.00 0.24 H new ATOM 0 HE2 LYS A 25 -4.023 10.562 -6.440 1.00 2.20 H new ATOM 0 HE3 LYS A 25 -2.802 11.808 -6.274 1.00 2.20 H new ATOM 0 HZ1 LYS A 25 -4.718 12.794 -5.471 1.00 31.05 H new ATOM 0 HZ2 LYS A 25 -4.645 13.389 -7.059 1.00 31.05 H new ATOM 0 HZ3 LYS A 25 -5.712 12.126 -6.675 1.00 31.05 H new ATOM 131 N GLY A 26 -4.993 8.783 -12.964 1.00 33.34 N ATOM 132 CA GLY A 26 -5.551 8.637 -14.295 1.00 23.01 C ATOM 133 C GLY A 26 -4.503 8.588 -15.389 1.00 64.35 C ATOM 134 O GLY A 26 -4.578 9.341 -16.363 1.00 22.45 O ATOM 0 H GLY A 26 -5.175 7.999 -12.338 1.00 33.34 H new ATOM 0 HA2 GLY A 26 -6.147 7.725 -14.332 1.00 23.01 H new ATOM 0 HA3 GLY A 26 -6.229 9.468 -14.489 1.00 23.01 H new ATOM 138 N LEU A 27 -3.520 7.717 -15.235 1.00 55.23 N ATOM 139 CA LEU A 27 -2.524 7.519 -16.276 1.00 24.32 C ATOM 140 C LEU A 27 -2.707 6.159 -16.924 1.00 14.34 C ATOM 141 O LEU A 27 -3.182 5.217 -16.293 1.00 70.10 O ATOM 142 CB LEU A 27 -1.094 7.656 -15.737 1.00 4.33 C ATOM 143 CG LEU A 27 -0.516 9.077 -15.755 1.00 63.13 C ATOM 144 CD1 LEU A 27 -1.183 9.952 -14.709 1.00 63.43 C ATOM 145 CD2 LEU A 27 0.990 9.043 -15.543 1.00 63.04 C ATOM 0 H LEU A 27 -3.390 7.139 -14.405 1.00 55.23 H new ATOM 0 HA LEU A 27 -2.671 8.300 -17.022 1.00 24.32 H new ATOM 0 HB2 LEU A 27 -1.074 7.287 -14.712 1.00 4.33 H new ATOM 0 HB3 LEU A 27 -0.440 7.009 -16.322 1.00 4.33 H new ATOM 0 HG LEU A 27 -0.719 9.511 -16.734 1.00 63.13 H new ATOM 0 HD11 LEU A 27 -0.754 10.953 -14.745 1.00 63.43 H new ATOM 0 HD12 LEU A 27 -2.253 10.009 -14.910 1.00 63.43 H new ATOM 0 HD13 LEU A 27 -1.022 9.523 -13.720 1.00 63.43 H new ATOM 0 HD21 LEU A 27 1.383 10.060 -15.559 1.00 63.04 H new ATOM 0 HD22 LEU A 27 1.212 8.583 -14.580 1.00 63.04 H new ATOM 0 HD23 LEU A 27 1.456 8.462 -16.338 1.00 63.04 H new ATOM 157 N ASP A 28 -2.353 6.071 -18.192 1.00 25.34 N ATOM 158 CA ASP A 28 -2.468 4.827 -18.930 1.00 73.54 C ATOM 159 C ASP A 28 -1.136 4.079 -18.906 1.00 72.14 C ATOM 160 O ASP A 28 -0.128 4.612 -18.438 1.00 73.12 O ATOM 161 CB ASP A 28 -2.909 5.108 -20.369 1.00 52.12 C ATOM 162 CG ASP A 28 -3.244 3.844 -21.134 1.00 43.40 C ATOM 163 OD1 ASP A 28 -4.289 3.232 -20.844 1.00 44.00 O ATOM 164 OD2 ASP A 28 -2.450 3.451 -22.013 1.00 4.41 O ATOM 0 H ASP A 28 -1.981 6.850 -18.735 1.00 25.34 H new ATOM 0 HA ASP A 28 -3.223 4.199 -18.457 1.00 73.54 H new ATOM 0 HB2 ASP A 28 -3.781 5.762 -20.357 1.00 52.12 H new ATOM 0 HB3 ASP A 28 -2.116 5.644 -20.890 1.00 52.12 H new ATOM 169 N GLN A 29 -1.138 2.855 -19.417 1.00 13.44 N ATOM 170 CA GLN A 29 0.038 1.995 -19.396 1.00 4.40 C ATOM 171 C GLN A 29 1.215 2.645 -20.123 1.00 34.01 C ATOM 172 O GLN A 29 2.356 2.560 -19.669 1.00 43.13 O ATOM 173 CB GLN A 29 -0.293 0.645 -20.036 1.00 43.44 C ATOM 174 CG GLN A 29 0.832 -0.374 -19.948 1.00 24.51 C ATOM 175 CD GLN A 29 0.505 -1.663 -20.674 1.00 44.12 C ATOM 176 OE1 GLN A 29 0.794 -1.809 -21.861 1.00 33.41 O ATOM 177 NE2 GLN A 29 -0.103 -2.606 -19.970 1.00 63.54 N ATOM 0 H GLN A 29 -1.954 2.430 -19.857 1.00 13.44 H new ATOM 0 HA GLN A 29 0.328 1.842 -18.356 1.00 4.40 H new ATOM 0 HB2 GLN A 29 -1.180 0.234 -19.554 1.00 43.44 H new ATOM 0 HB3 GLN A 29 -0.544 0.804 -21.085 1.00 43.44 H new ATOM 0 HG2 GLN A 29 1.741 0.056 -20.369 1.00 24.51 H new ATOM 0 HG3 GLN A 29 1.038 -0.593 -18.900 1.00 24.51 H new ATOM 0 HE21 GLN A 29 -0.325 -2.446 -18.988 1.00 63.54 H new ATOM 0 HE22 GLN A 29 -0.349 -3.493 -20.410 1.00 63.54 H new ATOM 186 N GLU A 30 0.930 3.312 -21.239 1.00 13.04 N ATOM 187 CA GLU A 30 1.976 3.954 -22.030 1.00 12.22 C ATOM 188 C GLU A 30 2.625 5.099 -21.256 1.00 44.12 C ATOM 189 O GLU A 30 3.811 5.375 -21.418 1.00 50.04 O ATOM 190 CB GLU A 30 1.411 4.461 -23.361 1.00 14.54 C ATOM 191 CG GLU A 30 0.260 5.443 -23.213 1.00 43.40 C ATOM 192 CD GLU A 30 -0.185 6.015 -24.539 1.00 63.13 C ATOM 193 OE1 GLU A 30 -1.047 5.399 -25.198 1.00 62.45 O ATOM 194 OE2 GLU A 30 0.327 7.087 -24.928 1.00 24.04 O ATOM 0 H GLU A 30 -0.012 3.422 -21.614 1.00 13.04 H new ATOM 0 HA GLU A 30 2.743 3.209 -22.239 1.00 12.22 H new ATOM 0 HB2 GLU A 30 2.212 4.939 -23.925 1.00 14.54 H new ATOM 0 HB3 GLU A 30 1.073 3.607 -23.949 1.00 14.54 H new ATOM 0 HG2 GLU A 30 -0.582 4.942 -22.736 1.00 43.40 H new ATOM 0 HG3 GLU A 30 0.563 6.256 -22.553 1.00 43.40 H new ATOM 201 N GLN A 31 1.847 5.743 -20.395 1.00 20.30 N ATOM 202 CA GLN A 31 2.354 6.844 -19.588 1.00 3.15 C ATOM 203 C GLN A 31 3.161 6.302 -18.418 1.00 71.33 C ATOM 204 O GLN A 31 4.237 6.809 -18.096 1.00 25.12 O ATOM 205 CB GLN A 31 1.201 7.697 -19.062 1.00 64.55 C ATOM 206 CG GLN A 31 0.317 8.279 -20.150 1.00 70.24 C ATOM 207 CD GLN A 31 -0.828 9.092 -19.582 1.00 55.11 C ATOM 208 OE1 GLN A 31 -1.906 8.563 -19.315 1.00 52.11 O ATOM 209 NE2 GLN A 31 -0.603 10.380 -19.395 1.00 2.12 N ATOM 0 H GLN A 31 0.864 5.522 -20.238 1.00 20.30 H new ATOM 0 HA GLN A 31 2.995 7.464 -20.214 1.00 3.15 H new ATOM 0 HB2 GLN A 31 0.588 7.090 -18.396 1.00 64.55 H new ATOM 0 HB3 GLN A 31 1.609 8.512 -18.465 1.00 64.55 H new ATOM 0 HG2 GLN A 31 0.918 8.909 -20.806 1.00 70.24 H new ATOM 0 HG3 GLN A 31 -0.082 7.471 -20.763 1.00 70.24 H new ATOM 0 HE21 GLN A 31 0.306 10.778 -19.630 1.00 2.12 H new ATOM 0 HE22 GLN A 31 -1.338 10.976 -19.016 1.00 2.12 H new ATOM 218 N ALA A 32 2.635 5.252 -17.796 1.00 32.12 N ATOM 219 CA ALA A 32 3.282 4.629 -16.647 1.00 21.45 C ATOM 220 C ALA A 32 4.611 3.992 -17.035 1.00 43.00 C ATOM 221 O ALA A 32 5.465 3.756 -16.182 1.00 21.55 O ATOM 222 CB ALA A 32 2.362 3.592 -16.022 1.00 21.15 C ATOM 0 H ALA A 32 1.757 4.812 -18.071 1.00 32.12 H new ATOM 0 HA ALA A 32 3.487 5.410 -15.914 1.00 21.45 H new ATOM 0 HB1 ALA A 32 2.858 3.135 -15.166 1.00 21.15 H new ATOM 0 HB2 ALA A 32 1.441 4.074 -15.694 1.00 21.15 H new ATOM 0 HB3 ALA A 32 2.127 2.823 -16.758 1.00 21.15 H new ATOM 228 N ASN A 33 4.777 3.726 -18.325 1.00 50.15 N ATOM 229 CA ASN A 33 6.002 3.127 -18.846 1.00 32.22 C ATOM 230 C ASN A 33 7.220 3.982 -18.499 1.00 70.25 C ATOM 231 O ASN A 33 8.243 3.464 -18.055 1.00 43.54 O ATOM 232 CB ASN A 33 5.890 2.947 -20.365 1.00 64.32 C ATOM 233 CG ASN A 33 7.120 2.309 -20.993 1.00 24.43 C ATOM 234 OD1 ASN A 33 7.453 2.593 -22.142 1.00 61.01 O ATOM 235 ND2 ASN A 33 7.795 1.432 -20.260 1.00 43.40 N ATOM 0 H ASN A 33 4.072 3.918 -19.036 1.00 50.15 H new ATOM 0 HA ASN A 33 6.134 2.150 -18.380 1.00 32.22 H new ATOM 0 HB2 ASN A 33 5.018 2.332 -20.587 1.00 64.32 H new ATOM 0 HB3 ASN A 33 5.719 3.920 -20.827 1.00 64.32 H new ATOM 0 HD21 ASN A 33 8.618 0.970 -20.647 1.00 43.40 H new ATOM 0 HD22 ASN A 33 7.491 1.220 -19.310 1.00 43.40 H new ATOM 242 N GLU A 34 7.099 5.292 -18.681 1.00 22.24 N ATOM 243 CA GLU A 34 8.192 6.206 -18.368 1.00 54.51 C ATOM 244 C GLU A 34 8.320 6.377 -16.859 1.00 43.21 C ATOM 245 O GLU A 34 9.418 6.534 -16.326 1.00 4.04 O ATOM 246 CB GLU A 34 7.958 7.567 -19.025 1.00 25.24 C ATOM 247 CG GLU A 34 7.712 7.491 -20.521 1.00 4.33 C ATOM 248 CD GLU A 34 7.535 8.858 -21.146 1.00 31.20 C ATOM 249 OE1 GLU A 34 6.592 9.577 -20.752 1.00 24.44 O ATOM 250 OE2 GLU A 34 8.333 9.219 -22.038 1.00 13.33 O ATOM 0 H GLU A 34 6.259 5.744 -19.042 1.00 22.24 H new ATOM 0 HA GLU A 34 9.117 5.782 -18.759 1.00 54.51 H new ATOM 0 HB2 GLU A 34 7.103 8.047 -18.550 1.00 25.24 H new ATOM 0 HB3 GLU A 34 8.824 8.203 -18.840 1.00 25.24 H new ATOM 0 HG2 GLU A 34 8.549 6.981 -20.999 1.00 4.33 H new ATOM 0 HG3 GLU A 34 6.823 6.890 -20.710 1.00 4.33 H new ATOM 257 N VAL A 35 7.185 6.322 -16.180 1.00 61.24 N ATOM 258 CA VAL A 35 7.137 6.500 -14.737 1.00 30.54 C ATOM 259 C VAL A 35 7.841 5.354 -14.008 1.00 52.21 C ATOM 260 O VAL A 35 8.703 5.587 -13.167 1.00 42.00 O ATOM 261 CB VAL A 35 5.678 6.619 -14.247 1.00 71.32 C ATOM 262 CG1 VAL A 35 5.609 6.662 -12.730 1.00 33.12 C ATOM 263 CG2 VAL A 35 5.022 7.856 -14.842 1.00 32.13 C ATOM 0 H VAL A 35 6.276 6.154 -16.611 1.00 61.24 H new ATOM 0 HA VAL A 35 7.664 7.426 -14.506 1.00 30.54 H new ATOM 0 HB VAL A 35 5.136 5.735 -14.583 1.00 71.32 H new ATOM 0 HG11 VAL A 35 4.569 6.746 -12.415 1.00 33.12 H new ATOM 0 HG12 VAL A 35 6.039 5.748 -12.320 1.00 33.12 H new ATOM 0 HG13 VAL A 35 6.169 7.523 -12.365 1.00 33.12 H new ATOM 0 HG21 VAL A 35 3.993 7.928 -14.488 1.00 32.13 H new ATOM 0 HG22 VAL A 35 5.574 8.744 -14.535 1.00 32.13 H new ATOM 0 HG23 VAL A 35 5.028 7.783 -15.930 1.00 32.13 H new ATOM 273 N ILE A 36 7.491 4.119 -14.349 1.00 10.22 N ATOM 274 CA ILE A 36 8.083 2.954 -13.695 1.00 20.13 C ATOM 275 C ILE A 36 9.569 2.836 -14.044 1.00 60.32 C ATOM 276 O ILE A 36 10.354 2.258 -13.289 1.00 32.13 O ATOM 277 CB ILE A 36 7.345 1.645 -14.077 1.00 22.15 C ATOM 278 CG1 ILE A 36 7.857 0.472 -13.234 1.00 11.50 C ATOM 279 CG2 ILE A 36 7.499 1.342 -15.563 1.00 71.21 C ATOM 280 CD1 ILE A 36 7.137 -0.833 -13.502 1.00 44.31 C ATOM 0 H ILE A 36 6.804 3.897 -15.070 1.00 10.22 H new ATOM 0 HA ILE A 36 7.979 3.099 -12.620 1.00 20.13 H new ATOM 0 HB ILE A 36 6.284 1.785 -13.869 1.00 22.15 H new ATOM 0 HG12 ILE A 36 8.921 0.335 -13.427 1.00 11.50 H new ATOM 0 HG13 ILE A 36 7.754 0.723 -12.178 1.00 11.50 H new ATOM 0 HG21 ILE A 36 6.972 0.419 -15.803 1.00 71.21 H new ATOM 0 HG22 ILE A 36 7.080 2.161 -16.147 1.00 71.21 H new ATOM 0 HG23 ILE A 36 8.556 1.229 -15.804 1.00 71.21 H new ATOM 0 HD11 ILE A 36 7.555 -1.616 -12.869 1.00 44.31 H new ATOM 0 HD12 ILE A 36 6.076 -0.715 -13.281 1.00 44.31 H new ATOM 0 HD13 ILE A 36 7.261 -1.109 -14.549 1.00 44.31 H new ATOM 292 N ALA A 37 9.947 3.421 -15.178 1.00 31.42 N ATOM 293 CA ALA A 37 11.321 3.363 -15.655 1.00 74.32 C ATOM 294 C ALA A 37 12.280 4.041 -14.682 1.00 42.14 C ATOM 295 O ALA A 37 13.353 3.512 -14.399 1.00 20.42 O ATOM 296 CB ALA A 37 11.433 3.994 -17.033 1.00 45.31 C ATOM 0 H ALA A 37 9.315 3.943 -15.785 1.00 31.42 H new ATOM 0 HA ALA A 37 11.603 2.312 -15.724 1.00 74.32 H new ATOM 0 HB1 ALA A 37 12.467 3.942 -17.374 1.00 45.31 H new ATOM 0 HB2 ALA A 37 10.793 3.457 -17.732 1.00 45.31 H new ATOM 0 HB3 ALA A 37 11.120 5.037 -16.982 1.00 45.31 H new ATOM 302 N VAL A 38 11.887 5.198 -14.154 1.00 64.14 N ATOM 303 CA VAL A 38 12.755 5.949 -13.251 1.00 62.10 C ATOM 304 C VAL A 38 12.874 5.242 -11.896 1.00 74.32 C ATOM 305 O VAL A 38 13.909 5.326 -11.228 1.00 32.31 O ATOM 306 CB VAL A 38 12.276 7.413 -13.065 1.00 31.21 C ATOM 307 CG1 VAL A 38 10.966 7.483 -12.298 1.00 41.23 C ATOM 308 CG2 VAL A 38 13.349 8.248 -12.381 1.00 4.42 C ATOM 0 H VAL A 38 10.982 5.633 -14.334 1.00 64.14 H new ATOM 0 HA VAL A 38 13.742 5.987 -13.712 1.00 62.10 H new ATOM 0 HB VAL A 38 12.096 7.828 -14.057 1.00 31.21 H new ATOM 0 HG11 VAL A 38 10.664 8.525 -12.188 1.00 41.23 H new ATOM 0 HG12 VAL A 38 10.196 6.937 -12.843 1.00 41.23 H new ATOM 0 HG13 VAL A 38 11.098 7.038 -11.312 1.00 41.23 H new ATOM 0 HG21 VAL A 38 12.992 9.271 -12.261 1.00 4.42 H new ATOM 0 HG22 VAL A 38 13.571 7.824 -11.402 1.00 4.42 H new ATOM 0 HG23 VAL A 38 14.253 8.248 -12.990 1.00 4.42 H new ATOM 318 N LEU A 39 11.830 4.517 -11.506 1.00 0.43 N ATOM 319 CA LEU A 39 11.876 3.737 -10.275 1.00 60.13 C ATOM 320 C LEU A 39 12.801 2.539 -10.450 1.00 1.14 C ATOM 321 O LEU A 39 13.723 2.332 -9.660 1.00 11.44 O ATOM 322 CB LEU A 39 10.480 3.258 -9.851 1.00 14.31 C ATOM 323 CG LEU A 39 9.600 4.290 -9.131 1.00 35.12 C ATOM 324 CD1 LEU A 39 10.363 4.946 -7.989 1.00 32.34 C ATOM 325 CD2 LEU A 39 9.070 5.338 -10.097 1.00 44.54 C ATOM 0 H LEU A 39 10.951 4.454 -12.019 1.00 0.43 H new ATOM 0 HA LEU A 39 12.260 4.386 -9.488 1.00 60.13 H new ATOM 0 HB2 LEU A 39 9.950 2.916 -10.740 1.00 14.31 H new ATOM 0 HB3 LEU A 39 10.598 2.393 -9.198 1.00 14.31 H new ATOM 0 HG LEU A 39 8.743 3.761 -8.713 1.00 35.12 H new ATOM 0 HD11 LEU A 39 9.721 5.674 -7.493 1.00 32.34 H new ATOM 0 HD12 LEU A 39 10.670 4.185 -7.272 1.00 32.34 H new ATOM 0 HD13 LEU A 39 11.245 5.450 -8.383 1.00 32.34 H new ATOM 0 HD21 LEU A 39 8.451 6.053 -9.555 1.00 44.54 H new ATOM 0 HD22 LEU A 39 9.906 5.861 -10.561 1.00 44.54 H new ATOM 0 HD23 LEU A 39 8.472 4.853 -10.868 1.00 44.54 H new ATOM 337 N GLN A 40 12.568 1.776 -11.512 1.00 3.13 N ATOM 338 CA GLN A 40 13.364 0.587 -11.795 1.00 45.30 C ATOM 339 C GLN A 40 14.825 0.964 -12.045 1.00 54.41 C ATOM 340 O GLN A 40 15.736 0.201 -11.729 1.00 13.44 O ATOM 341 CB GLN A 40 12.779 -0.160 -12.997 1.00 51.34 C ATOM 342 CG GLN A 40 13.445 -1.498 -13.274 1.00 74.44 C ATOM 343 CD GLN A 40 12.724 -2.297 -14.342 1.00 3.21 C ATOM 344 OE1 GLN A 40 11.504 -2.201 -14.491 1.00 32.30 O ATOM 345 NE2 GLN A 40 13.470 -3.089 -15.093 1.00 52.20 N ATOM 0 H GLN A 40 11.832 1.960 -12.193 1.00 3.13 H new ATOM 0 HA GLN A 40 13.332 -0.073 -10.928 1.00 45.30 H new ATOM 0 HB2 GLN A 40 11.715 -0.323 -12.828 1.00 51.34 H new ATOM 0 HB3 GLN A 40 12.868 0.470 -13.882 1.00 51.34 H new ATOM 0 HG2 GLN A 40 14.476 -1.329 -13.585 1.00 74.44 H new ATOM 0 HG3 GLN A 40 13.481 -2.079 -12.353 1.00 74.44 H new ATOM 0 HE21 GLN A 40 14.477 -3.140 -14.937 1.00 52.20 H new ATOM 0 HE22 GLN A 40 13.039 -3.649 -15.828 1.00 52.20 H new ATOM 354 N MET A 41 15.032 2.157 -12.596 1.00 4.41 N ATOM 355 CA MET A 41 16.372 2.705 -12.803 1.00 70.52 C ATOM 356 C MET A 41 17.125 2.817 -11.479 1.00 5.21 C ATOM 357 O MET A 41 18.338 2.622 -11.420 1.00 74.33 O ATOM 358 CB MET A 41 16.271 4.087 -13.458 1.00 53.41 C ATOM 359 CG MET A 41 17.604 4.801 -13.621 1.00 30.34 C ATOM 360 SD MET A 41 17.409 6.489 -14.223 1.00 44.00 S ATOM 361 CE MET A 41 19.114 7.029 -14.273 1.00 24.40 C ATOM 0 H MET A 41 14.280 2.770 -12.911 1.00 4.41 H new ATOM 0 HA MET A 41 16.923 2.029 -13.457 1.00 70.52 H new ATOM 0 HB2 MET A 41 15.808 3.978 -14.439 1.00 53.41 H new ATOM 0 HB3 MET A 41 15.608 4.712 -12.860 1.00 53.41 H new ATOM 0 HG2 MET A 41 18.124 4.817 -12.663 1.00 30.34 H new ATOM 0 HG3 MET A 41 18.231 4.241 -14.315 1.00 30.34 H new ATOM 0 HE1 MET A 41 19.159 8.059 -14.627 1.00 24.40 H new ATOM 0 HE2 MET A 41 19.544 6.970 -13.273 1.00 24.40 H new ATOM 0 HE3 MET A 41 19.679 6.388 -14.949 1.00 24.40 H new ATOM 371 N HIS A 42 16.396 3.124 -10.414 1.00 55.13 N ATOM 372 CA HIS A 42 17.000 3.295 -9.099 1.00 14.05 C ATOM 373 C HIS A 42 16.894 2.020 -8.271 1.00 54.11 C ATOM 374 O HIS A 42 17.055 2.048 -7.052 1.00 61.41 O ATOM 375 CB HIS A 42 16.367 4.478 -8.359 1.00 64.41 C ATOM 376 CG HIS A 42 16.865 5.812 -8.834 1.00 4.41 C ATOM 377 ND1 HIS A 42 17.904 6.480 -8.226 1.00 14.14 N ATOM 378 CD2 HIS A 42 16.472 6.597 -9.868 1.00 41.45 C ATOM 379 CE1 HIS A 42 18.131 7.614 -8.861 1.00 71.23 C ATOM 380 NE2 HIS A 42 17.277 7.711 -9.861 1.00 44.22 N ATOM 0 H HIS A 42 15.385 3.260 -10.435 1.00 55.13 H new ATOM 0 HA HIS A 42 18.059 3.510 -9.245 1.00 14.05 H new ATOM 0 HB2 HIS A 42 15.285 4.437 -8.482 1.00 64.41 H new ATOM 0 HB3 HIS A 42 16.570 4.381 -7.293 1.00 64.41 H new ATOM 0 HD2 HIS A 42 15.675 6.386 -10.566 1.00 41.45 H new ATOM 0 HE1 HIS A 42 18.888 8.340 -8.605 1.00 71.23 H new ATOM 0 HE2 HIS A 42 17.223 8.486 -10.522 1.00 44.22 H new ATOM 389 N ASN A 43 16.614 0.910 -8.952 1.00 75.20 N ATOM 390 CA ASN A 43 16.646 -0.426 -8.348 1.00 2.14 C ATOM 391 C ASN A 43 15.622 -0.597 -7.229 1.00 21.42 C ATOM 392 O ASN A 43 15.740 -1.509 -6.410 1.00 75.54 O ATOM 393 CB ASN A 43 18.050 -0.752 -7.823 1.00 5.12 C ATOM 394 CG ASN A 43 19.063 -0.921 -8.939 1.00 3.41 C ATOM 395 OD1 ASN A 43 19.742 0.028 -9.335 1.00 41.50 O ATOM 396 ND2 ASN A 43 19.158 -2.131 -9.467 1.00 23.04 N ATOM 0 H ASN A 43 16.358 0.909 -9.939 1.00 75.20 H new ATOM 0 HA ASN A 43 16.380 -1.126 -9.140 1.00 2.14 H new ATOM 0 HB2 ASN A 43 18.379 0.045 -7.156 1.00 5.12 H new ATOM 0 HB3 ASN A 43 18.010 -1.667 -7.232 1.00 5.12 H new ATOM 0 HD21 ASN A 43 19.812 -2.304 -10.231 1.00 23.04 H new ATOM 0 HD22 ASN A 43 18.578 -2.890 -9.110 1.00 23.04 H new ATOM 403 N ILE A 44 14.611 0.257 -7.196 1.00 72.42 N ATOM 404 CA ILE A 44 13.540 0.103 -6.226 1.00 60.13 C ATOM 405 C ILE A 44 12.359 -0.610 -6.879 1.00 55.32 C ATOM 406 O ILE A 44 11.926 -0.245 -7.975 1.00 24.21 O ATOM 407 CB ILE A 44 13.097 1.459 -5.615 1.00 35.45 C ATOM 408 CG1 ILE A 44 11.925 1.258 -4.647 1.00 12.32 C ATOM 409 CG2 ILE A 44 12.734 2.458 -6.702 1.00 51.45 C ATOM 410 CD1 ILE A 44 11.470 2.531 -3.962 1.00 40.14 C ATOM 0 H ILE A 44 14.510 1.055 -7.823 1.00 72.42 H new ATOM 0 HA ILE A 44 13.919 -0.500 -5.401 1.00 60.13 H new ATOM 0 HB ILE A 44 13.939 1.867 -5.055 1.00 35.45 H new ATOM 0 HG12 ILE A 44 11.084 0.830 -5.193 1.00 12.32 H new ATOM 0 HG13 ILE A 44 12.214 0.532 -3.888 1.00 12.32 H new ATOM 0 HG21 ILE A 44 12.428 3.399 -6.244 1.00 51.45 H new ATOM 0 HG22 ILE A 44 13.600 2.631 -7.341 1.00 51.45 H new ATOM 0 HG23 ILE A 44 11.914 2.062 -7.301 1.00 51.45 H new ATOM 0 HD11 ILE A 44 10.638 2.307 -3.294 1.00 40.14 H new ATOM 0 HD12 ILE A 44 12.296 2.950 -3.386 1.00 40.14 H new ATOM 0 HD13 ILE A 44 11.148 3.253 -4.713 1.00 40.14 H new ATOM 422 N GLU A 45 11.873 -1.651 -6.219 1.00 44.11 N ATOM 423 CA GLU A 45 10.800 -2.469 -6.764 1.00 53.24 C ATOM 424 C GLU A 45 9.500 -1.686 -6.857 1.00 64.34 C ATOM 425 O GLU A 45 9.002 -1.146 -5.865 1.00 41.33 O ATOM 426 CB GLU A 45 10.597 -3.757 -5.950 1.00 44.34 C ATOM 427 CG GLU A 45 10.770 -3.601 -4.445 1.00 52.12 C ATOM 428 CD GLU A 45 12.224 -3.639 -4.029 1.00 71.43 C ATOM 429 OE1 GLU A 45 12.802 -4.743 -3.989 1.00 11.42 O ATOM 430 OE2 GLU A 45 12.801 -2.568 -3.763 1.00 25.42 O ATOM 0 H GLU A 45 12.206 -1.950 -5.302 1.00 44.11 H new ATOM 0 HA GLU A 45 11.099 -2.755 -7.772 1.00 53.24 H new ATOM 0 HB2 GLU A 45 9.596 -4.140 -6.148 1.00 44.34 H new ATOM 0 HB3 GLU A 45 11.302 -4.509 -6.306 1.00 44.34 H new ATOM 0 HG2 GLU A 45 10.327 -2.657 -4.126 1.00 52.12 H new ATOM 0 HG3 GLU A 45 10.227 -4.396 -3.934 1.00 52.12 H new ATOM 437 N ALA A 46 8.971 -1.618 -8.067 1.00 3.44 N ATOM 438 CA ALA A 46 7.724 -0.927 -8.322 1.00 41.34 C ATOM 439 C ALA A 46 6.609 -1.924 -8.598 1.00 2.01 C ATOM 440 O ALA A 46 6.753 -2.820 -9.432 1.00 1.25 O ATOM 441 CB ALA A 46 7.883 0.029 -9.490 1.00 13.25 C ATOM 0 H ALA A 46 9.393 -2.039 -8.895 1.00 3.44 H new ATOM 0 HA ALA A 46 7.458 -0.352 -7.435 1.00 41.34 H new ATOM 0 HB1 ALA A 46 6.939 0.542 -9.671 1.00 13.25 H new ATOM 0 HB2 ALA A 46 8.655 0.762 -9.258 1.00 13.25 H new ATOM 0 HB3 ALA A 46 8.169 -0.530 -10.381 1.00 13.25 H new ATOM 447 N ASN A 47 5.507 -1.762 -7.890 1.00 24.02 N ATOM 448 CA ASN A 47 4.343 -2.615 -8.055 1.00 53.21 C ATOM 449 C ASN A 47 3.232 -1.855 -8.766 1.00 53.30 C ATOM 450 O ASN A 47 3.357 -0.659 -9.044 1.00 5.51 O ATOM 451 CB ASN A 47 3.848 -3.139 -6.701 1.00 11.10 C ATOM 452 CG ASN A 47 4.690 -4.284 -6.175 1.00 3.30 C ATOM 453 OD1 ASN A 47 5.668 -4.080 -5.457 1.00 34.24 O ATOM 454 ND2 ASN A 47 4.306 -5.501 -6.527 1.00 71.44 N ATOM 0 H ASN A 47 5.393 -1.035 -7.184 1.00 24.02 H new ATOM 0 HA ASN A 47 4.632 -3.472 -8.664 1.00 53.21 H new ATOM 0 HB2 ASN A 47 3.855 -2.325 -5.976 1.00 11.10 H new ATOM 0 HB3 ASN A 47 2.814 -3.469 -6.800 1.00 11.10 H new ATOM 0 HD21 ASN A 47 4.828 -6.315 -6.201 1.00 71.44 H new ATOM 0 HD22 ASN A 47 3.489 -5.625 -7.124 1.00 71.44 H new ATOM 461 N LYS A 48 2.144 -2.548 -9.052 1.00 23.31 N ATOM 462 CA LYS A 48 1.070 -1.989 -9.855 1.00 14.41 C ATOM 463 C LYS A 48 -0.182 -1.753 -9.013 1.00 52.24 C ATOM 464 O LYS A 48 -0.711 -2.681 -8.402 1.00 12.24 O ATOM 465 CB LYS A 48 0.755 -2.956 -11.003 1.00 30.32 C ATOM 466 CG LYS A 48 -0.196 -2.408 -12.058 1.00 31.34 C ATOM 467 CD LYS A 48 0.429 -1.270 -12.851 1.00 71.22 C ATOM 468 CE LYS A 48 1.769 -1.664 -13.464 1.00 24.21 C ATOM 469 NZ LYS A 48 1.687 -2.914 -14.270 1.00 24.13 N ATOM 0 H LYS A 48 1.980 -3.505 -8.738 1.00 23.31 H new ATOM 0 HA LYS A 48 1.390 -1.026 -10.253 1.00 14.41 H new ATOM 0 HB2 LYS A 48 1.689 -3.238 -11.488 1.00 30.32 H new ATOM 0 HB3 LYS A 48 0.325 -3.866 -10.585 1.00 30.32 H new ATOM 0 HG2 LYS A 48 -0.483 -3.209 -12.739 1.00 31.34 H new ATOM 0 HG3 LYS A 48 -1.108 -2.056 -11.576 1.00 31.34 H new ATOM 0 HD2 LYS A 48 -0.254 -0.962 -13.642 1.00 71.22 H new ATOM 0 HD3 LYS A 48 0.569 -0.408 -12.198 1.00 71.22 H new ATOM 0 HE2 LYS A 48 2.128 -0.852 -14.096 1.00 24.21 H new ATOM 0 HE3 LYS A 48 2.503 -1.797 -12.669 1.00 24.21 H new ATOM 0 HZ1 LYS A 48 2.585 -3.063 -14.772 1.00 24.13 H new ATOM 0 HZ2 LYS A 48 1.504 -3.722 -13.641 1.00 24.13 H new ATOM 0 HZ3 LYS A 48 0.914 -2.832 -14.961 1.00 24.13 H new ATOM 483 N ILE A 49 -0.640 -0.509 -8.966 1.00 0.44 N ATOM 484 CA ILE A 49 -1.932 -0.199 -8.364 1.00 0.45 C ATOM 485 C ILE A 49 -2.925 0.190 -9.446 1.00 74.20 C ATOM 486 O ILE A 49 -2.827 1.264 -10.044 1.00 2.55 O ATOM 487 CB ILE A 49 -1.860 0.916 -7.293 1.00 14.13 C ATOM 488 CG1 ILE A 49 -0.885 2.022 -7.709 1.00 63.12 C ATOM 489 CG2 ILE A 49 -1.481 0.329 -5.943 1.00 44.01 C ATOM 490 CD1 ILE A 49 -0.839 3.188 -6.744 1.00 2.51 C ATOM 0 H ILE A 49 -0.139 0.299 -9.335 1.00 0.44 H new ATOM 0 HA ILE A 49 -2.262 -1.103 -7.852 1.00 0.45 H new ATOM 0 HB ILE A 49 -2.848 1.369 -7.204 1.00 14.13 H new ATOM 0 HG12 ILE A 49 0.115 1.597 -7.800 1.00 63.12 H new ATOM 0 HG13 ILE A 49 -1.166 2.390 -8.696 1.00 63.12 H new ATOM 0 HG21 ILE A 49 -1.434 1.125 -5.200 1.00 44.01 H new ATOM 0 HG22 ILE A 49 -2.229 -0.404 -5.642 1.00 44.01 H new ATOM 0 HG23 ILE A 49 -0.507 -0.155 -6.017 1.00 44.01 H new ATOM 0 HD11 ILE A 49 -0.127 3.931 -7.105 1.00 2.51 H new ATOM 0 HD12 ILE A 49 -1.829 3.639 -6.671 1.00 2.51 H new ATOM 0 HD13 ILE A 49 -0.528 2.835 -5.761 1.00 2.51 H new ATOM 502 N ASP A 50 -3.844 -0.716 -9.731 1.00 62.52 N ATOM 503 CA ASP A 50 -4.831 -0.499 -10.776 1.00 64.42 C ATOM 504 C ASP A 50 -6.211 -0.287 -10.171 1.00 32.30 C ATOM 505 O ASP A 50 -6.565 -0.905 -9.164 1.00 52.50 O ATOM 506 CB ASP A 50 -4.853 -1.679 -11.758 1.00 73.40 C ATOM 507 CG ASP A 50 -5.432 -2.945 -11.158 1.00 62.12 C ATOM 508 OD1 ASP A 50 -4.743 -3.600 -10.346 1.00 21.11 O ATOM 509 OD2 ASP A 50 -6.578 -3.302 -11.504 1.00 1.53 O ATOM 0 H ASP A 50 -3.928 -1.612 -9.252 1.00 62.52 H new ATOM 0 HA ASP A 50 -4.551 0.399 -11.326 1.00 64.42 H new ATOM 0 HB2 ASP A 50 -5.436 -1.401 -12.636 1.00 73.40 H new ATOM 0 HB3 ASP A 50 -3.837 -1.878 -12.099 1.00 73.40 H new ATOM 514 N SER A 51 -6.977 0.608 -10.769 1.00 51.11 N ATOM 515 CA SER A 51 -8.341 0.872 -10.334 1.00 50.12 C ATOM 516 C SER A 51 -9.155 1.422 -11.498 1.00 14.12 C ATOM 517 O SER A 51 -8.587 1.930 -12.465 1.00 2.13 O ATOM 518 CB SER A 51 -8.357 1.865 -9.166 1.00 2.33 C ATOM 519 OG SER A 51 -7.631 1.370 -8.052 1.00 30.03 O ATOM 0 H SER A 51 -6.676 1.170 -11.565 1.00 51.11 H new ATOM 0 HA SER A 51 -8.784 -0.064 -9.993 1.00 50.12 H new ATOM 0 HB2 SER A 51 -7.928 2.814 -9.488 1.00 2.33 H new ATOM 0 HB3 SER A 51 -9.387 2.064 -8.871 1.00 2.33 H new ATOM 0 HG SER A 51 -7.659 2.027 -7.325 1.00 30.03 H new ATOM 525 N GLY A 52 -10.475 1.323 -11.399 1.00 21.21 N ATOM 526 CA GLY A 52 -11.344 1.785 -12.466 1.00 31.31 C ATOM 527 C GLY A 52 -11.173 3.262 -12.766 1.00 4.53 C ATOM 528 O GLY A 52 -11.141 3.666 -13.929 1.00 62.42 O ATOM 0 H GLY A 52 -10.962 0.929 -10.594 1.00 21.21 H new ATOM 0 HA2 GLY A 52 -11.140 1.210 -13.369 1.00 31.31 H new ATOM 0 HA3 GLY A 52 -12.381 1.592 -12.193 1.00 31.31 H new ATOM 532 N LYS A 53 -11.063 4.070 -11.720 1.00 43.33 N ATOM 533 CA LYS A 53 -10.893 5.506 -11.891 1.00 23.23 C ATOM 534 C LYS A 53 -9.416 5.878 -11.972 1.00 53.52 C ATOM 535 O LYS A 53 -9.027 6.730 -12.768 1.00 52.20 O ATOM 536 CB LYS A 53 -11.566 6.277 -10.746 1.00 21.22 C ATOM 537 CG LYS A 53 -11.353 7.781 -10.827 1.00 34.43 C ATOM 538 CD LYS A 53 -11.829 8.331 -12.163 1.00 0.22 C ATOM 539 CE LYS A 53 -10.959 9.484 -12.637 1.00 31.00 C ATOM 540 NZ LYS A 53 -11.148 10.712 -11.823 1.00 12.43 N ATOM 0 H LYS A 53 -11.088 3.758 -10.749 1.00 43.33 H new ATOM 0 HA LYS A 53 -11.372 5.784 -12.830 1.00 23.23 H new ATOM 0 HB2 LYS A 53 -12.636 6.067 -10.755 1.00 21.22 H new ATOM 0 HB3 LYS A 53 -11.178 5.913 -9.795 1.00 21.22 H new ATOM 0 HG2 LYS A 53 -11.891 8.272 -10.016 1.00 34.43 H new ATOM 0 HG3 LYS A 53 -10.296 8.009 -10.692 1.00 34.43 H new ATOM 0 HD2 LYS A 53 -11.818 7.536 -12.909 1.00 0.22 H new ATOM 0 HD3 LYS A 53 -12.862 8.668 -12.071 1.00 0.22 H new ATOM 0 HE2 LYS A 53 -9.912 9.184 -12.599 1.00 31.00 H new ATOM 0 HE3 LYS A 53 -11.189 9.704 -13.679 1.00 31.00 H new ATOM 0 HZ1 LYS A 53 -10.533 11.468 -12.187 1.00 12.43 H new ATOM 0 HZ2 LYS A 53 -12.141 11.016 -11.879 1.00 12.43 H new ATOM 0 HZ3 LYS A 53 -10.903 10.513 -10.832 1.00 12.43 H new ATOM 554 N LEU A 54 -8.599 5.227 -11.159 1.00 52.32 N ATOM 555 CA LEU A 54 -7.190 5.581 -11.060 1.00 71.44 C ATOM 556 C LEU A 54 -6.431 5.194 -12.328 1.00 73.44 C ATOM 557 O LEU A 54 -5.477 5.866 -12.721 1.00 1.14 O ATOM 558 CB LEU A 54 -6.557 4.896 -9.851 1.00 14.41 C ATOM 559 CG LEU A 54 -5.160 5.394 -9.492 1.00 74.34 C ATOM 560 CD1 LEU A 54 -5.234 6.769 -8.848 1.00 43.11 C ATOM 561 CD2 LEU A 54 -4.456 4.404 -8.578 1.00 12.02 C ATOM 0 H LEU A 54 -8.885 4.453 -10.559 1.00 52.32 H new ATOM 0 HA LEU A 54 -7.126 6.662 -10.938 1.00 71.44 H new ATOM 0 HB2 LEU A 54 -7.210 5.035 -8.989 1.00 14.41 H new ATOM 0 HB3 LEU A 54 -6.507 3.824 -10.043 1.00 14.41 H new ATOM 0 HG LEU A 54 -4.578 5.479 -10.410 1.00 74.34 H new ATOM 0 HD11 LEU A 54 -4.229 7.109 -8.599 1.00 43.11 H new ATOM 0 HD12 LEU A 54 -5.692 7.472 -9.543 1.00 43.11 H new ATOM 0 HD13 LEU A 54 -5.834 6.714 -7.940 1.00 43.11 H new ATOM 0 HD21 LEU A 54 -3.462 4.778 -8.334 1.00 12.02 H new ATOM 0 HD22 LEU A 54 -5.033 4.282 -7.661 1.00 12.02 H new ATOM 0 HD23 LEU A 54 -4.368 3.442 -9.083 1.00 12.02 H new ATOM 573 N GLY A 55 -6.861 4.110 -12.964 1.00 54.43 N ATOM 574 CA GLY A 55 -6.186 3.633 -14.153 1.00 75.13 C ATOM 575 C GLY A 55 -4.920 2.880 -13.810 1.00 53.15 C ATOM 576 O GLY A 55 -4.940 1.977 -12.972 1.00 65.43 O ATOM 0 H GLY A 55 -7.666 3.554 -12.676 1.00 54.43 H new ATOM 0 HA2 GLY A 55 -6.856 2.983 -14.716 1.00 75.13 H new ATOM 0 HA3 GLY A 55 -5.944 4.477 -14.798 1.00 75.13 H new ATOM 580 N TYR A 56 -3.820 3.254 -14.448 1.00 25.34 N ATOM 581 CA TYR A 56 -2.530 2.644 -14.171 1.00 51.11 C ATOM 582 C TYR A 56 -1.662 3.601 -13.368 1.00 61.44 C ATOM 583 O TYR A 56 -1.363 4.709 -13.814 1.00 45.52 O ATOM 584 CB TYR A 56 -1.812 2.275 -15.473 1.00 35.04 C ATOM 585 CG TYR A 56 -2.498 1.197 -16.282 1.00 5.42 C ATOM 586 CD1 TYR A 56 -2.199 -0.144 -16.079 1.00 44.10 C ATOM 587 CD2 TYR A 56 -3.431 1.521 -17.258 1.00 62.00 C ATOM 588 CE1 TYR A 56 -2.812 -1.133 -16.825 1.00 64.41 C ATOM 589 CE2 TYR A 56 -4.047 0.539 -18.010 1.00 53.11 C ATOM 590 CZ TYR A 56 -3.735 -0.787 -17.790 1.00 4.11 C ATOM 591 OH TYR A 56 -4.343 -1.770 -18.541 1.00 21.34 O ATOM 0 H TYR A 56 -3.797 3.980 -15.164 1.00 25.34 H new ATOM 0 HA TYR A 56 -2.701 1.735 -13.594 1.00 51.11 H new ATOM 0 HB2 TYR A 56 -1.719 3.170 -16.088 1.00 35.04 H new ATOM 0 HB3 TYR A 56 -0.801 1.945 -15.235 1.00 35.04 H new ATOM 0 HD1 TYR A 56 -1.475 -0.419 -15.326 1.00 44.10 H new ATOM 0 HD2 TYR A 56 -3.679 2.558 -17.432 1.00 62.00 H new ATOM 0 HE1 TYR A 56 -2.570 -2.171 -16.653 1.00 64.41 H new ATOM 0 HE2 TYR A 56 -4.769 0.808 -18.766 1.00 53.11 H new ATOM 0 HH TYR A 56 -4.967 -1.359 -19.175 1.00 21.34 H new ATOM 601 N SER A 57 -1.275 3.183 -12.177 1.00 40.01 N ATOM 602 CA SER A 57 -0.386 3.974 -11.347 1.00 22.45 C ATOM 603 C SER A 57 0.674 3.087 -10.713 1.00 3.42 C ATOM 604 O SER A 57 0.500 1.869 -10.609 1.00 75.41 O ATOM 605 CB SER A 57 -1.185 4.711 -10.276 1.00 74.41 C ATOM 606 OG SER A 57 -2.120 5.590 -10.873 1.00 35.23 O ATOM 0 H SER A 57 -1.564 2.297 -11.762 1.00 40.01 H new ATOM 0 HA SER A 57 0.116 4.712 -11.972 1.00 22.45 H new ATOM 0 HB2 SER A 57 -1.705 3.992 -9.643 1.00 74.41 H new ATOM 0 HB3 SER A 57 -0.509 5.273 -9.631 1.00 74.41 H new ATOM 0 HG SER A 57 -2.164 6.421 -10.355 1.00 35.23 H new ATOM 612 N ILE A 58 1.775 3.695 -10.302 1.00 23.23 N ATOM 613 CA ILE A 58 2.883 2.952 -9.731 1.00 35.32 C ATOM 614 C ILE A 58 2.878 3.065 -8.217 1.00 4.10 C ATOM 615 O ILE A 58 2.822 4.164 -7.673 1.00 45.21 O ATOM 616 CB ILE A 58 4.243 3.462 -10.263 1.00 13.03 C ATOM 617 CG1 ILE A 58 4.250 3.471 -11.795 1.00 13.54 C ATOM 618 CG2 ILE A 58 5.383 2.602 -9.733 1.00 22.22 C ATOM 619 CD1 ILE A 58 4.027 2.108 -12.419 1.00 72.22 C ATOM 0 H ILE A 58 1.924 4.703 -10.354 1.00 23.23 H new ATOM 0 HA ILE A 58 2.755 1.911 -10.026 1.00 35.32 H new ATOM 0 HB ILE A 58 4.388 4.483 -9.909 1.00 13.03 H new ATOM 0 HG12 ILE A 58 3.476 4.152 -12.148 1.00 13.54 H new ATOM 0 HG13 ILE A 58 5.205 3.866 -12.142 1.00 13.54 H new ATOM 0 HG21 ILE A 58 6.331 2.977 -10.119 1.00 22.22 H new ATOM 0 HG22 ILE A 58 5.393 2.642 -8.644 1.00 22.22 H new ATOM 0 HG23 ILE A 58 5.242 1.571 -10.057 1.00 22.22 H new ATOM 0 HD11 ILE A 58 4.046 2.198 -13.505 1.00 72.22 H new ATOM 0 HD12 ILE A 58 4.815 1.427 -12.097 1.00 72.22 H new ATOM 0 HD13 ILE A 58 3.059 1.717 -12.104 1.00 72.22 H new ATOM 631 N THR A 59 2.910 1.930 -7.543 1.00 63.02 N ATOM 632 CA THR A 59 3.111 1.912 -6.109 1.00 53.04 C ATOM 633 C THR A 59 4.454 1.271 -5.813 1.00 64.21 C ATOM 634 O THR A 59 4.826 0.274 -6.419 1.00 24.52 O ATOM 635 CB THR A 59 1.984 1.165 -5.348 1.00 33.42 C ATOM 636 OG1 THR A 59 2.226 1.215 -3.934 1.00 34.20 O ATOM 637 CG2 THR A 59 1.881 -0.287 -5.789 1.00 2.12 C ATOM 0 H THR A 59 2.799 1.009 -7.967 1.00 63.02 H new ATOM 0 HA THR A 59 3.088 2.943 -5.757 1.00 53.04 H new ATOM 0 HB THR A 59 1.043 1.664 -5.581 1.00 33.42 H new ATOM 0 HG1 THR A 59 1.509 0.742 -3.462 1.00 34.20 H new ATOM 0 HG21 THR A 59 1.082 -0.780 -5.235 1.00 2.12 H new ATOM 0 HG22 THR A 59 1.662 -0.329 -6.856 1.00 2.12 H new ATOM 0 HG23 THR A 59 2.825 -0.795 -5.592 1.00 2.12 H new ATOM 645 N VAL A 60 5.192 1.859 -4.907 1.00 74.34 N ATOM 646 CA VAL A 60 6.489 1.333 -4.536 1.00 24.42 C ATOM 647 C VAL A 60 6.437 0.849 -3.108 1.00 74.31 C ATOM 648 O VAL A 60 5.391 0.970 -2.462 1.00 73.23 O ATOM 649 CB VAL A 60 7.603 2.389 -4.679 1.00 31.11 C ATOM 650 CG1 VAL A 60 7.747 2.832 -6.130 1.00 3.12 C ATOM 651 CG2 VAL A 60 7.331 3.581 -3.772 1.00 44.04 C ATOM 0 H VAL A 60 4.919 2.706 -4.408 1.00 74.34 H new ATOM 0 HA VAL A 60 6.724 0.510 -5.212 1.00 24.42 H new ATOM 0 HB VAL A 60 8.545 1.935 -4.371 1.00 31.11 H new ATOM 0 HG11 VAL A 60 8.539 3.577 -6.206 1.00 3.12 H new ATOM 0 HG12 VAL A 60 7.998 1.971 -6.750 1.00 3.12 H new ATOM 0 HG13 VAL A 60 6.807 3.265 -6.473 1.00 3.12 H new ATOM 0 HG21 VAL A 60 8.128 4.315 -3.887 1.00 44.04 H new ATOM 0 HG22 VAL A 60 6.378 4.035 -4.043 1.00 44.04 H new ATOM 0 HG23 VAL A 60 7.292 3.248 -2.735 1.00 44.04 H new ATOM 661 N ALA A 61 7.526 0.245 -2.641 1.00 52.32 N ATOM 662 CA ALA A 61 7.669 -0.063 -1.229 1.00 12.33 C ATOM 663 C ALA A 61 7.193 1.132 -0.412 1.00 14.04 C ATOM 664 O ALA A 61 7.777 2.210 -0.480 1.00 3.23 O ATOM 665 CB ALA A 61 9.116 -0.401 -0.905 1.00 11.51 C ATOM 0 H ALA A 61 8.317 -0.038 -3.220 1.00 52.32 H new ATOM 0 HA ALA A 61 7.062 -0.933 -0.978 1.00 12.33 H new ATOM 0 HB1 ALA A 61 9.207 -0.630 0.157 1.00 11.51 H new ATOM 0 HB2 ALA A 61 9.427 -1.266 -1.490 1.00 11.51 H new ATOM 0 HB3 ALA A 61 9.752 0.450 -1.149 1.00 11.51 H new ATOM 671 N GLU A 62 6.110 0.931 0.321 1.00 63.01 N ATOM 672 CA GLU A 62 5.385 2.019 0.972 1.00 53.40 C ATOM 673 C GLU A 62 6.284 2.888 1.873 1.00 23.31 C ATOM 674 O GLU A 62 6.188 4.115 1.823 1.00 60.24 O ATOM 675 CB GLU A 62 4.202 1.443 1.747 1.00 40.34 C ATOM 676 CG GLU A 62 3.061 2.423 1.951 1.00 11.51 C ATOM 677 CD GLU A 62 1.726 1.717 2.055 1.00 64.42 C ATOM 678 OE1 GLU A 62 1.629 0.731 2.813 1.00 1.50 O ATOM 679 OE2 GLU A 62 0.771 2.113 1.343 1.00 54.12 O ATOM 0 H GLU A 62 5.705 0.009 0.484 1.00 63.01 H new ATOM 0 HA GLU A 62 5.018 2.690 0.195 1.00 53.40 H new ATOM 0 HB2 GLU A 62 3.825 0.568 1.217 1.00 40.34 H new ATOM 0 HB3 GLU A 62 4.551 1.100 2.721 1.00 40.34 H new ATOM 0 HG2 GLU A 62 3.237 3.003 2.857 1.00 11.51 H new ATOM 0 HG3 GLU A 62 3.035 3.129 1.121 1.00 11.51 H new ATOM 686 N PRO A 63 7.174 2.295 2.702 1.00 22.32 N ATOM 687 CA PRO A 63 8.126 3.076 3.509 1.00 45.04 C ATOM 688 C PRO A 63 9.092 3.906 2.653 1.00 4.02 C ATOM 689 O PRO A 63 9.714 4.850 3.139 1.00 74.44 O ATOM 690 CB PRO A 63 8.894 2.011 4.300 1.00 5.45 C ATOM 691 CG PRO A 63 8.017 0.810 4.283 1.00 14.35 C ATOM 692 CD PRO A 63 7.302 0.849 2.967 1.00 61.13 C ATOM 0 HA PRO A 63 7.611 3.804 4.136 1.00 45.04 H new ATOM 0 HB2 PRO A 63 9.860 1.800 3.842 1.00 5.45 H new ATOM 0 HB3 PRO A 63 9.090 2.342 5.320 1.00 5.45 H new ATOM 0 HG2 PRO A 63 8.603 -0.104 4.384 1.00 14.35 H new ATOM 0 HG3 PRO A 63 7.311 0.829 5.113 1.00 14.35 H new ATOM 0 HD2 PRO A 63 7.869 0.344 2.185 1.00 61.13 H new ATOM 0 HD3 PRO A 63 6.329 0.361 3.022 1.00 61.13 H new ATOM 700 N ASP A 64 9.202 3.555 1.378 1.00 25.43 N ATOM 701 CA ASP A 64 10.088 4.256 0.451 1.00 50.12 C ATOM 702 C ASP A 64 9.288 5.069 -0.558 1.00 30.04 C ATOM 703 O ASP A 64 9.818 5.489 -1.588 1.00 13.22 O ATOM 704 CB ASP A 64 10.996 3.273 -0.293 1.00 42.01 C ATOM 705 CG ASP A 64 12.139 2.768 0.564 1.00 33.43 C ATOM 706 OD1 ASP A 64 13.195 3.443 0.617 1.00 64.11 O ATOM 707 OD2 ASP A 64 11.990 1.696 1.190 1.00 23.31 O ATOM 0 H ASP A 64 8.685 2.783 0.958 1.00 25.43 H new ATOM 0 HA ASP A 64 10.707 4.931 1.042 1.00 50.12 H new ATOM 0 HB2 ASP A 64 10.403 2.425 -0.636 1.00 42.01 H new ATOM 0 HB3 ASP A 64 11.400 3.759 -1.181 1.00 42.01 H new ATOM 712 N PHE A 65 8.016 5.306 -0.253 1.00 2.04 N ATOM 713 CA PHE A 65 7.152 6.102 -1.122 1.00 10.41 C ATOM 714 C PHE A 65 7.716 7.511 -1.299 1.00 73.32 C ATOM 715 O PHE A 65 7.493 8.161 -2.322 1.00 50.22 O ATOM 716 CB PHE A 65 5.730 6.163 -0.557 1.00 43.22 C ATOM 717 CG PHE A 65 4.773 6.953 -1.406 1.00 22.15 C ATOM 718 CD1 PHE A 65 4.506 6.574 -2.713 1.00 54.53 C ATOM 719 CD2 PHE A 65 4.143 8.074 -0.895 1.00 55.24 C ATOM 720 CE1 PHE A 65 3.628 7.301 -3.494 1.00 50.45 C ATOM 721 CE2 PHE A 65 3.263 8.805 -1.671 1.00 34.15 C ATOM 722 CZ PHE A 65 3.006 8.418 -2.971 1.00 10.53 C ATOM 0 H PHE A 65 7.559 4.958 0.590 1.00 2.04 H new ATOM 0 HA PHE A 65 7.115 5.621 -2.099 1.00 10.41 H new ATOM 0 HB2 PHE A 65 5.349 5.148 -0.446 1.00 43.22 H new ATOM 0 HB3 PHE A 65 5.764 6.602 0.440 1.00 43.22 H new ATOM 0 HD1 PHE A 65 4.990 5.701 -3.125 1.00 54.53 H new ATOM 0 HD2 PHE A 65 4.341 8.381 0.121 1.00 55.24 H new ATOM 0 HE1 PHE A 65 3.429 6.997 -4.511 1.00 50.45 H new ATOM 0 HE2 PHE A 65 2.777 9.678 -1.261 1.00 34.15 H new ATOM 0 HZ PHE A 65 2.319 8.988 -3.579 1.00 10.53 H new ATOM 732 N THR A 66 8.456 7.965 -0.297 1.00 12.14 N ATOM 733 CA THR A 66 9.118 9.261 -0.343 1.00 44.25 C ATOM 734 C THR A 66 10.023 9.376 -1.577 1.00 71.54 C ATOM 735 O THR A 66 10.093 10.428 -2.214 1.00 61.43 O ATOM 736 CB THR A 66 9.940 9.500 0.946 1.00 74.44 C ATOM 737 OG1 THR A 66 10.662 10.733 0.867 1.00 20.42 O ATOM 738 CG2 THR A 66 10.910 8.355 1.206 1.00 14.03 C ATOM 0 H THR A 66 8.614 7.447 0.568 1.00 12.14 H new ATOM 0 HA THR A 66 8.346 10.027 -0.413 1.00 44.25 H new ATOM 0 HB THR A 66 9.235 9.552 1.775 1.00 74.44 H new ATOM 0 HG1 THR A 66 11.174 10.866 1.692 1.00 20.42 H new ATOM 0 HG21 THR A 66 11.472 8.554 2.119 1.00 14.03 H new ATOM 0 HG22 THR A 66 10.353 7.425 1.318 1.00 14.03 H new ATOM 0 HG23 THR A 66 11.600 8.265 0.367 1.00 14.03 H new ATOM 746 N ALA A 67 10.684 8.276 -1.930 1.00 53.01 N ATOM 747 CA ALA A 67 11.574 8.254 -3.079 1.00 72.41 C ATOM 748 C ALA A 67 10.774 8.321 -4.372 1.00 32.25 C ATOM 749 O ALA A 67 11.139 9.041 -5.298 1.00 25.04 O ATOM 750 CB ALA A 67 12.445 7.005 -3.053 1.00 42.11 C ATOM 0 H ALA A 67 10.617 7.388 -1.433 1.00 53.01 H new ATOM 0 HA ALA A 67 12.224 9.128 -3.031 1.00 72.41 H new ATOM 0 HB1 ALA A 67 13.106 7.004 -3.920 1.00 42.11 H new ATOM 0 HB2 ALA A 67 13.043 6.997 -2.142 1.00 42.11 H new ATOM 0 HB3 ALA A 67 11.811 6.119 -3.079 1.00 42.11 H new ATOM 756 N ALA A 68 9.667 7.580 -4.413 1.00 44.21 N ATOM 757 CA ALA A 68 8.790 7.559 -5.581 1.00 4.13 C ATOM 758 C ALA A 68 8.373 8.973 -5.971 1.00 13.41 C ATOM 759 O ALA A 68 8.512 9.377 -7.127 1.00 22.35 O ATOM 760 CB ALA A 68 7.558 6.714 -5.304 1.00 3.45 C ATOM 0 H ALA A 68 9.356 6.984 -3.646 1.00 44.21 H new ATOM 0 HA ALA A 68 9.343 7.119 -6.411 1.00 4.13 H new ATOM 0 HB1 ALA A 68 6.915 6.709 -6.184 1.00 3.45 H new ATOM 0 HB2 ALA A 68 7.862 5.694 -5.070 1.00 3.45 H new ATOM 0 HB3 ALA A 68 7.012 7.133 -4.458 1.00 3.45 H new ATOM 766 N VAL A 69 7.889 9.725 -4.989 1.00 24.53 N ATOM 767 CA VAL A 69 7.429 11.088 -5.216 1.00 35.13 C ATOM 768 C VAL A 69 8.569 11.971 -5.718 1.00 63.34 C ATOM 769 O VAL A 69 8.391 12.758 -6.648 1.00 71.51 O ATOM 770 CB VAL A 69 6.840 11.708 -3.929 1.00 13.13 C ATOM 771 CG1 VAL A 69 6.328 13.117 -4.189 1.00 74.35 C ATOM 772 CG2 VAL A 69 5.727 10.836 -3.372 1.00 63.23 C ATOM 0 H VAL A 69 7.805 9.410 -4.022 1.00 24.53 H new ATOM 0 HA VAL A 69 6.647 11.038 -5.974 1.00 35.13 H new ATOM 0 HB VAL A 69 7.638 11.765 -3.189 1.00 13.13 H new ATOM 0 HG11 VAL A 69 5.919 13.531 -3.268 1.00 74.35 H new ATOM 0 HG12 VAL A 69 7.149 13.744 -4.535 1.00 74.35 H new ATOM 0 HG13 VAL A 69 5.549 13.086 -4.951 1.00 74.35 H new ATOM 0 HG21 VAL A 69 5.327 11.291 -2.466 1.00 63.23 H new ATOM 0 HG22 VAL A 69 4.933 10.743 -4.113 1.00 63.23 H new ATOM 0 HG23 VAL A 69 6.122 9.848 -3.137 1.00 63.23 H new ATOM 782 N TYR A 70 9.742 11.809 -5.114 1.00 13.34 N ATOM 783 CA TYR A 70 10.898 12.641 -5.430 1.00 4.21 C ATOM 784 C TYR A 70 11.379 12.397 -6.861 1.00 24.34 C ATOM 785 O TYR A 70 11.739 13.336 -7.573 1.00 3.21 O ATOM 786 CB TYR A 70 12.026 12.368 -4.431 1.00 2.01 C ATOM 787 CG TYR A 70 13.129 13.405 -4.458 1.00 75.33 C ATOM 788 CD1 TYR A 70 12.881 14.717 -4.067 1.00 71.21 C ATOM 789 CD2 TYR A 70 14.414 13.077 -4.873 1.00 21.53 C ATOM 790 CE1 TYR A 70 13.881 15.670 -4.090 1.00 25.22 C ATOM 791 CE2 TYR A 70 15.420 14.026 -4.897 1.00 23.14 C ATOM 792 CZ TYR A 70 15.146 15.321 -4.505 1.00 24.55 C ATOM 793 OH TYR A 70 16.142 16.270 -4.526 1.00 24.02 O ATOM 0 H TYR A 70 9.918 11.104 -4.398 1.00 13.34 H new ATOM 0 HA TYR A 70 10.600 13.687 -5.353 1.00 4.21 H new ATOM 0 HB2 TYR A 70 11.606 12.324 -3.426 1.00 2.01 H new ATOM 0 HB3 TYR A 70 12.456 11.388 -4.641 1.00 2.01 H new ATOM 0 HD1 TYR A 70 11.890 14.995 -3.740 1.00 71.21 H new ATOM 0 HD2 TYR A 70 14.631 12.065 -5.182 1.00 21.53 H new ATOM 0 HE1 TYR A 70 13.671 16.684 -3.784 1.00 25.22 H new ATOM 0 HE2 TYR A 70 16.414 13.755 -5.221 1.00 23.14 H new ATOM 0 HH TYR A 70 16.975 15.863 -4.842 1.00 24.02 H new ATOM 803 N TRP A 71 11.371 11.140 -7.288 1.00 54.51 N ATOM 804 CA TRP A 71 11.805 10.804 -8.639 1.00 63.41 C ATOM 805 C TRP A 71 10.808 11.326 -9.670 1.00 51.14 C ATOM 806 O TRP A 71 11.197 11.915 -10.678 1.00 32.02 O ATOM 807 CB TRP A 71 11.990 9.291 -8.805 1.00 64.24 C ATOM 808 CG TRP A 71 12.997 8.685 -7.867 1.00 63.51 C ATOM 809 CD1 TRP A 71 12.922 7.454 -7.283 1.00 63.15 C ATOM 810 CD2 TRP A 71 14.219 9.276 -7.395 1.00 15.41 C ATOM 811 NE1 TRP A 71 14.019 7.238 -6.486 1.00 33.43 N ATOM 812 CE2 TRP A 71 14.827 8.343 -6.534 1.00 52.24 C ATOM 813 CE3 TRP A 71 14.858 10.501 -7.615 1.00 41.04 C ATOM 814 CZ2 TRP A 71 16.040 8.598 -5.896 1.00 53.00 C ATOM 815 CZ3 TRP A 71 16.058 10.751 -6.980 1.00 54.31 C ATOM 816 CH2 TRP A 71 16.638 9.804 -6.130 1.00 55.20 C ATOM 0 H TRP A 71 11.072 10.344 -6.725 1.00 54.51 H new ATOM 0 HA TRP A 71 12.769 11.285 -8.805 1.00 63.41 H new ATOM 0 HB2 TRP A 71 11.029 8.800 -8.654 1.00 64.24 H new ATOM 0 HB3 TRP A 71 12.296 9.084 -9.831 1.00 64.24 H new ATOM 0 HD1 TRP A 71 12.115 6.750 -7.427 1.00 63.15 H new ATOM 0 HE1 TRP A 71 14.202 6.392 -5.946 1.00 33.43 H new ATOM 0 HE3 TRP A 71 14.420 11.239 -8.271 1.00 41.04 H new ATOM 0 HZ2 TRP A 71 16.491 7.868 -5.240 1.00 53.00 H new ATOM 0 HZ3 TRP A 71 16.558 11.695 -7.143 1.00 54.31 H new ATOM 0 HH2 TRP A 71 17.578 10.031 -5.649 1.00 55.20 H new ATOM 827 N ILE A 72 9.522 11.134 -9.399 1.00 32.35 N ATOM 828 CA ILE A 72 8.475 11.567 -10.321 1.00 32.52 C ATOM 829 C ILE A 72 8.392 13.092 -10.376 1.00 50.35 C ATOM 830 O ILE A 72 8.010 13.667 -11.396 1.00 43.13 O ATOM 831 CB ILE A 72 7.098 10.978 -9.931 1.00 1.14 C ATOM 832 CG1 ILE A 72 7.176 9.452 -9.893 1.00 14.12 C ATOM 833 CG2 ILE A 72 6.009 11.427 -10.901 1.00 44.03 C ATOM 834 CD1 ILE A 72 7.705 8.837 -11.171 1.00 65.10 C ATOM 0 H ILE A 72 9.179 10.683 -8.551 1.00 32.35 H new ATOM 0 HA ILE A 72 8.740 11.193 -11.310 1.00 32.52 H new ATOM 0 HB ILE A 72 6.837 11.350 -8.940 1.00 1.14 H new ATOM 0 HG12 ILE A 72 7.816 9.150 -9.063 1.00 14.12 H new ATOM 0 HG13 ILE A 72 6.183 9.051 -9.692 1.00 14.12 H new ATOM 0 HG21 ILE A 72 5.054 10.997 -10.600 1.00 44.03 H new ATOM 0 HG22 ILE A 72 5.937 12.515 -10.889 1.00 44.03 H new ATOM 0 HG23 ILE A 72 6.257 11.091 -11.908 1.00 44.03 H new ATOM 0 HD11 ILE A 72 7.732 7.752 -11.069 1.00 65.10 H new ATOM 0 HD12 ILE A 72 7.053 9.107 -12.002 1.00 65.10 H new ATOM 0 HD13 ILE A 72 8.712 9.208 -11.364 1.00 65.10 H new ATOM 846 N LYS A 73 8.780 13.743 -9.286 1.00 71.34 N ATOM 847 CA LYS A 73 8.803 15.202 -9.229 1.00 32.44 C ATOM 848 C LYS A 73 9.830 15.751 -10.216 1.00 24.03 C ATOM 849 O LYS A 73 9.741 16.896 -10.660 1.00 34.51 O ATOM 850 CB LYS A 73 9.136 15.666 -7.806 1.00 15.25 C ATOM 851 CG LYS A 73 8.875 17.146 -7.559 1.00 25.24 C ATOM 852 CD LYS A 73 7.405 17.491 -7.753 1.00 53.21 C ATOM 853 CE LYS A 73 6.518 16.674 -6.828 1.00 31.23 C ATOM 854 NZ LYS A 73 5.082 16.821 -7.169 1.00 54.00 N ATOM 0 H LYS A 73 9.084 13.284 -8.427 1.00 71.34 H new ATOM 0 HA LYS A 73 7.818 15.581 -9.502 1.00 32.44 H new ATOM 0 HB2 LYS A 73 8.549 15.081 -7.098 1.00 15.25 H new ATOM 0 HB3 LYS A 73 10.186 15.454 -7.602 1.00 15.25 H new ATOM 0 HG2 LYS A 73 9.181 17.407 -6.546 1.00 25.24 H new ATOM 0 HG3 LYS A 73 9.483 17.743 -8.239 1.00 25.24 H new ATOM 0 HD2 LYS A 73 7.251 18.553 -7.563 1.00 53.21 H new ATOM 0 HD3 LYS A 73 7.120 17.307 -8.789 1.00 53.21 H new ATOM 0 HE2 LYS A 73 6.800 15.623 -6.889 1.00 31.23 H new ATOM 0 HE3 LYS A 73 6.681 16.989 -5.797 1.00 31.23 H new ATOM 0 HZ1 LYS A 73 4.510 16.249 -6.516 1.00 54.00 H new ATOM 0 HZ2 LYS A 73 4.806 17.820 -7.087 1.00 54.00 H new ATOM 0 HZ3 LYS A 73 4.922 16.497 -8.144 1.00 54.00 H new ATOM 868 N THR A 74 10.794 14.912 -10.563 1.00 41.32 N ATOM 869 CA THR A 74 11.851 15.290 -11.483 1.00 40.24 C ATOM 870 C THR A 74 11.455 14.960 -12.928 1.00 23.41 C ATOM 871 O THR A 74 12.128 15.358 -13.880 1.00 23.15 O ATOM 872 CB THR A 74 13.170 14.581 -11.100 1.00 72.15 C ATOM 873 OG1 THR A 74 13.413 14.762 -9.696 1.00 34.52 O ATOM 874 CG2 THR A 74 14.354 15.133 -11.883 1.00 32.34 C ATOM 0 H THR A 74 10.864 13.955 -10.216 1.00 41.32 H new ATOM 0 HA THR A 74 12.004 16.367 -11.414 1.00 40.24 H new ATOM 0 HB THR A 74 13.066 13.523 -11.341 1.00 72.15 H new ATOM 0 HG1 THR A 74 12.796 14.201 -9.182 1.00 34.52 H new ATOM 0 HG21 THR A 74 15.263 14.609 -11.586 1.00 32.34 H new ATOM 0 HG22 THR A 74 14.184 14.988 -12.950 1.00 32.34 H new ATOM 0 HG23 THR A 74 14.464 16.197 -11.674 1.00 32.34 H new ATOM 882 N TYR A 75 10.348 14.240 -13.090 1.00 52.35 N ATOM 883 CA TYR A 75 9.818 13.950 -14.413 1.00 42.12 C ATOM 884 C TYR A 75 9.095 15.180 -14.955 1.00 3.21 C ATOM 885 O TYR A 75 7.911 15.393 -14.686 1.00 62.02 O ATOM 886 CB TYR A 75 8.881 12.732 -14.367 1.00 35.13 C ATOM 887 CG TYR A 75 8.141 12.457 -15.661 1.00 14.41 C ATOM 888 CD1 TYR A 75 8.809 12.000 -16.790 1.00 74.01 C ATOM 889 CD2 TYR A 75 6.768 12.655 -15.748 1.00 54.51 C ATOM 890 CE1 TYR A 75 8.129 11.751 -17.970 1.00 23.13 C ATOM 891 CE2 TYR A 75 6.082 12.408 -16.920 1.00 4.51 C ATOM 892 CZ TYR A 75 6.765 11.957 -18.029 1.00 42.40 C ATOM 893 OH TYR A 75 6.080 11.713 -19.200 1.00 72.41 O ATOM 0 H TYR A 75 9.804 13.849 -12.321 1.00 52.35 H new ATOM 0 HA TYR A 75 10.642 13.706 -15.083 1.00 42.12 H new ATOM 0 HB2 TYR A 75 9.465 11.850 -14.103 1.00 35.13 H new ATOM 0 HB3 TYR A 75 8.151 12.881 -13.571 1.00 35.13 H new ATOM 0 HD1 TYR A 75 9.876 11.836 -16.747 1.00 74.01 H new ATOM 0 HD2 TYR A 75 6.228 13.009 -14.882 1.00 54.51 H new ATOM 0 HE1 TYR A 75 8.663 11.397 -18.840 1.00 23.13 H new ATOM 0 HE2 TYR A 75 5.015 12.567 -16.968 1.00 4.51 H new ATOM 0 HH TYR A 75 6.338 10.836 -19.553 1.00 72.41 H new ATOM 903 N GLN A 76 9.838 16.012 -15.670 1.00 52.43 N ATOM 904 CA GLN A 76 9.297 17.227 -16.252 1.00 43.42 C ATOM 905 C GLN A 76 9.876 17.429 -17.640 1.00 72.51 C ATOM 906 O GLN A 76 11.014 17.936 -17.734 1.00 75.42 O ATOM 907 CB GLN A 76 9.618 18.443 -15.376 1.00 54.31 C ATOM 908 CG GLN A 76 8.933 18.437 -14.018 1.00 31.22 C ATOM 909 CD GLN A 76 7.432 18.654 -14.103 1.00 51.43 C ATOM 910 OE1 GLN A 76 6.782 18.278 -15.081 1.00 32.12 O ATOM 911 NE2 GLN A 76 6.872 19.271 -13.075 1.00 4.32 N ATOM 912 OXT GLN A 76 9.200 17.073 -18.626 1.00 0.00 O ATOM 0 H GLN A 76 10.829 15.863 -15.861 1.00 52.43 H new ATOM 0 HA GLN A 76 8.214 17.126 -16.317 1.00 43.42 H new ATOM 0 HB2 GLN A 76 10.696 18.492 -15.225 1.00 54.31 H new ATOM 0 HB3 GLN A 76 9.329 19.348 -15.911 1.00 54.31 H new ATOM 0 HG2 GLN A 76 9.128 17.485 -13.524 1.00 31.22 H new ATOM 0 HG3 GLN A 76 9.371 19.216 -13.394 1.00 31.22 H new ATOM 0 HE21 GLN A 76 7.444 19.567 -12.284 1.00 4.32 H new ATOM 0 HE22 GLN A 76 5.868 19.451 -13.073 1.00 4.32 H new TER 921 GLN A 76