USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 962 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: B 50 ASN : amide:sc= 1.01 K(o=0.17,f=-1.8) USER MOD Set 1.2: B 51 HIS : no HD1:sc= -0.845! C(o=0.17!,f=-6.3!) USER MOD Set 2.1: A 40 CYS SG : rot 180:sc= -6.12! USER MOD Set 2.2: B 40 CYS SG : rot -18:sc= -9.42! USER MOD Set 3.1: B 35 THR OG1 : rot -84:sc= 2.19 USER MOD Set 3.2: B 37 SER OG : rot 64:sc= 1.43 USER MOD Set 4.1: A 19 GLN : amide:sc= -8.69! C(o=-30!,f=-48!) USER MOD Set 4.2: B 9 ASN : amide:sc= -21.6! C(o=-30!,f=-45!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= -0.83! (180deg=-1.16!) USER MOD Single : A 9 ASN : amide:sc= 0.248 K(o=0.25,f=-5.3!) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= -0.0264 (180deg=-0.214) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 148:sc= 1.23 (180deg=0.85) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 1.01 (180deg=0.873) USER MOD Single : A 33 ASN : amide:sc= -0.0733 X(o=-0.073,f=-0.16) USER MOD Single : A 35 THR OG1 : rot 92:sc= 0.851 USER MOD Single : A 37 SER OG : rot 180:sc= -0.184 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.12 K(o=1.1,f=-0.18) USER MOD Single : A 51 HIS : no HD1:sc= -2.35! C(o=-2.4!,f=-7.3!) USER MOD Single : A 53 LYS NZ :NH3+ 136:sc= 1.27 (180deg=-0.0233) USER MOD Single : A 54 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.42) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ -154:sc= -2.05! (180deg=-5.55!) USER MOD Single : B 12 LYS NZ :NH3+ 170:sc= -0.0093 (180deg=-0.11) USER MOD Single : B 16 TYR OH : rot -61:sc= 0.762 USER MOD Single : B 19 GLN : amide:sc= -2.42 K(o=-2.4,f=-0.01) USER MOD Single : B 22 HIS : no HD1:sc= -3.59! C(o=-3.6!,f=-2.9!) USER MOD Single : B 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.13) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=0.048) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ 162:sc= 1.23 (180deg=0.585) USER MOD Single : B 54 GLN : amide:sc= -0.0514 X(o=-0.051,f=-0.17) USER MOD Single : B 55 LYS NZ :NH3+ 150:sc= -0.345 (180deg=-1.61!) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -19.607 5.808 -16.429 1.00 0.00 N ATOM 2 CA GLY A 2 -19.775 6.849 -15.388 1.00 0.00 C ATOM 3 C GLY A 2 -18.633 6.831 -14.395 1.00 0.00 C ATOM 4 O GLY A 2 -17.728 6.003 -14.502 1.00 0.00 O ATOM 0 HA2 GLY A 2 -19.833 7.830 -15.859 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -20.717 6.691 -14.863 1.00 0.00 H new ATOM 10 N ARG A 3 -18.661 7.742 -13.432 1.00 0.00 N ATOM 11 CA ARG A 3 -17.620 7.809 -12.417 1.00 0.00 C ATOM 12 C ARG A 3 -18.157 7.339 -11.070 1.00 0.00 C ATOM 13 O ARG A 3 -18.876 8.073 -10.393 1.00 0.00 O ATOM 14 CB ARG A 3 -17.085 9.237 -12.295 1.00 0.00 C ATOM 15 CG ARG A 3 -16.437 9.759 -13.570 1.00 0.00 C ATOM 16 CD ARG A 3 -16.050 11.224 -13.436 1.00 0.00 C ATOM 17 NE ARG A 3 -15.040 11.434 -12.394 1.00 0.00 N ATOM 18 CZ ARG A 3 -15.041 12.452 -11.526 1.00 0.00 C ATOM 19 NH1 ARG A 3 -15.991 13.385 -11.566 1.00 0.00 N ATOM 20 NH2 ARG A 3 -14.073 12.540 -10.622 1.00 0.00 N ATOM 0 H ARG A 3 -19.394 8.445 -13.333 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.805 7.151 -12.719 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.904 9.900 -12.017 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.356 9.274 -11.486 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.551 9.167 -13.799 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -17.126 9.638 -14.406 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.667 11.586 -14.390 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.937 11.813 -13.204 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.282 10.755 -12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.731 13.329 -12.265 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.978 14.155 -10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.336 11.835 -10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.066 13.313 -9.956 1.00 0.00 H new ATOM 34 N PRO A 4 -17.835 6.099 -10.673 1.00 0.00 N ATOM 35 CA PRO A 4 -18.255 5.552 -9.388 1.00 0.00 C ATOM 36 C PRO A 4 -17.326 5.969 -8.249 1.00 0.00 C ATOM 37 O PRO A 4 -16.106 5.796 -8.327 1.00 0.00 O ATOM 38 CB PRO A 4 -18.184 4.045 -9.620 1.00 0.00 C ATOM 39 CG PRO A 4 -17.109 3.859 -10.639 1.00 0.00 C ATOM 40 CD PRO A 4 -17.052 5.126 -11.457 1.00 0.00 C ATOM 0 HA PRO A 4 -19.241 5.907 -9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -17.949 3.515 -8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -19.137 3.656 -9.977 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -16.150 3.668 -10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -17.324 2.999 -11.274 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -16.025 5.463 -11.598 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -17.479 4.979 -12.449 1.00 0.00 H new ATOM 48 N TYR A 5 -17.915 6.476 -7.172 1.00 0.00 N ATOM 49 CA TYR A 5 -17.144 6.980 -6.037 1.00 0.00 C ATOM 50 C TYR A 5 -16.672 5.835 -5.147 1.00 0.00 C ATOM 51 O TYR A 5 -15.960 6.045 -4.167 1.00 0.00 O ATOM 52 CB TYR A 5 -17.995 7.948 -5.209 1.00 0.00 C ATOM 53 CG TYR A 5 -19.059 7.267 -4.365 1.00 0.00 C ATOM 54 CD1 TYR A 5 -20.202 6.727 -4.944 1.00 0.00 C ATOM 55 CD2 TYR A 5 -18.909 7.156 -2.986 1.00 0.00 C ATOM 56 CE1 TYR A 5 -21.162 6.099 -4.178 1.00 0.00 C ATOM 57 CE2 TYR A 5 -19.865 6.526 -2.214 1.00 0.00 C ATOM 58 CZ TYR A 5 -20.990 6.000 -2.815 1.00 0.00 C ATOM 59 OH TYR A 5 -21.944 5.367 -2.053 1.00 0.00 O ATOM 0 H TYR A 5 -18.926 6.550 -7.059 1.00 0.00 H new ATOM 0 HA TYR A 5 -16.272 7.503 -6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -17.340 8.523 -4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -18.478 8.658 -5.881 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -20.341 6.801 -6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -18.031 7.569 -2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -22.044 5.687 -4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -19.733 6.445 -1.145 1.00 0.00 H new ATOM 0 HH TYR A 5 -21.673 5.381 -1.111 1.00 0.00 H new ATOM 69 N LYS A 6 -17.094 4.630 -5.486 1.00 0.00 N ATOM 70 CA LYS A 6 -16.690 3.445 -4.745 1.00 0.00 C ATOM 71 C LYS A 6 -15.425 2.846 -5.352 1.00 0.00 C ATOM 72 O LYS A 6 -14.591 2.282 -4.650 1.00 0.00 O ATOM 73 CB LYS A 6 -17.823 2.413 -4.742 1.00 0.00 C ATOM 74 CG LYS A 6 -17.522 1.159 -3.937 1.00 0.00 C ATOM 75 CD LYS A 6 -17.244 1.483 -2.477 1.00 0.00 C ATOM 76 CE LYS A 6 -17.086 0.223 -1.640 1.00 0.00 C ATOM 77 NZ LYS A 6 -16.032 -0.678 -2.174 1.00 0.00 N ATOM 0 H LYS A 6 -17.718 4.444 -6.271 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.476 3.731 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.723 2.880 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.041 2.127 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.366 0.472 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.661 0.648 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.338 2.084 -2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.059 2.086 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -16.840 0.499 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.036 -0.311 -1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.853 -1.444 -1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.348 -1.084 -3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.156 -0.137 -2.324 1.00 0.00 H new ATOM 91 N LEU A 7 -15.283 2.979 -6.661 1.00 0.00 N ATOM 92 CA LEU A 7 -14.111 2.462 -7.351 1.00 0.00 C ATOM 93 C LEU A 7 -13.046 3.545 -7.496 1.00 0.00 C ATOM 94 O LEU A 7 -11.860 3.296 -7.280 1.00 0.00 O ATOM 95 CB LEU A 7 -14.498 1.910 -8.724 1.00 0.00 C ATOM 96 CG LEU A 7 -15.536 0.783 -8.698 1.00 0.00 C ATOM 97 CD1 LEU A 7 -15.891 0.348 -10.111 1.00 0.00 C ATOM 98 CD2 LEU A 7 -15.023 -0.403 -7.895 1.00 0.00 C ATOM 0 H LEU A 7 -15.963 3.439 -7.266 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.696 1.650 -6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.886 2.727 -9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.598 1.544 -9.219 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.436 1.164 -8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.629 -0.453 -10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.304 1.195 -10.659 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -14.995 -0.010 -10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.776 -1.192 -7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.106 -0.780 -8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.819 -0.089 -6.871 1.00 0.00 H new ATOM 110 N LEU A 8 -13.475 4.745 -7.866 1.00 0.00 N ATOM 111 CA LEU A 8 -12.569 5.877 -7.984 1.00 0.00 C ATOM 112 C LEU A 8 -12.613 6.715 -6.712 1.00 0.00 C ATOM 113 O LEU A 8 -13.336 7.708 -6.630 1.00 0.00 O ATOM 114 CB LEU A 8 -12.920 6.743 -9.205 1.00 0.00 C ATOM 115 CG LEU A 8 -12.487 6.185 -10.569 1.00 0.00 C ATOM 116 CD1 LEU A 8 -11.005 5.847 -10.561 1.00 0.00 C ATOM 117 CD2 LEU A 8 -13.318 4.970 -10.961 1.00 0.00 C ATOM 0 H LEU A 8 -14.447 4.958 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 8 -11.559 5.492 -8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.999 6.893 -9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.464 7.724 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.661 6.958 -11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.716 5.453 -11.535 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.428 6.747 -10.348 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.807 5.098 -9.794 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.986 4.600 -11.931 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.194 4.188 -10.212 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.369 5.252 -11.021 1.00 0.00 H new ATOM 129 N ASN A 9 -11.847 6.296 -5.719 1.00 0.00 N ATOM 130 CA ASN A 9 -11.806 6.986 -4.443 1.00 0.00 C ATOM 131 C ASN A 9 -10.453 6.746 -3.790 1.00 0.00 C ATOM 132 O ASN A 9 -9.898 5.650 -3.884 1.00 0.00 O ATOM 133 CB ASN A 9 -12.933 6.473 -3.536 1.00 0.00 C ATOM 134 CG ASN A 9 -13.260 7.405 -2.381 1.00 0.00 C ATOM 135 OD1 ASN A 9 -12.398 8.110 -1.853 1.00 0.00 O ATOM 136 ND2 ASN A 9 -14.525 7.420 -1.987 1.00 0.00 N ATOM 0 H ASN A 9 -11.242 5.476 -5.774 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.946 8.056 -4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -13.831 6.324 -4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.651 5.499 -3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -14.814 8.030 -1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.210 6.822 -2.449 1.00 0.00 H new ATOM 143 N GLY A 10 -9.919 7.773 -3.151 1.00 0.00 N ATOM 144 CA GLY A 10 -8.630 7.659 -2.509 1.00 0.00 C ATOM 145 C GLY A 10 -8.386 8.789 -1.537 1.00 0.00 C ATOM 146 O GLY A 10 -8.704 9.938 -1.832 1.00 0.00 O ATOM 0 H GLY A 10 -10.359 8.689 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.569 6.707 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.846 7.655 -3.266 1.00 0.00 H new ATOM 150 N ILE A 11 -7.853 8.460 -0.370 1.00 0.00 N ATOM 151 CA ILE A 11 -7.547 9.457 0.650 1.00 0.00 C ATOM 152 C ILE A 11 -6.049 9.422 0.955 1.00 0.00 C ATOM 153 O ILE A 11 -5.415 8.373 0.813 1.00 0.00 O ATOM 154 CB ILE A 11 -8.340 9.194 1.956 1.00 0.00 C ATOM 155 CG1 ILE A 11 -9.794 8.800 1.656 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.303 10.417 2.868 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.586 9.866 0.932 1.00 0.00 C ATOM 0 H ILE A 11 -7.621 7.503 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.836 10.436 0.267 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.861 8.360 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.796 7.890 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.296 8.564 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.866 10.209 3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.269 10.648 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.747 11.269 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.601 9.510 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.618 10.771 1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.110 10.087 -0.024 1.00 0.00 H new ATOM 169 N LYS A 12 -5.493 10.548 1.391 1.00 0.00 N ATOM 170 CA LYS A 12 -4.051 10.665 1.603 1.00 0.00 C ATOM 171 C LYS A 12 -3.689 10.511 3.072 1.00 0.00 C ATOM 172 O LYS A 12 -4.277 11.151 3.948 1.00 0.00 O ATOM 173 CB LYS A 12 -3.547 12.019 1.097 1.00 0.00 C ATOM 174 CG LYS A 12 -2.973 11.980 -0.308 1.00 0.00 C ATOM 175 CD LYS A 12 -1.668 11.197 -0.354 1.00 0.00 C ATOM 176 CE LYS A 12 -1.133 11.073 -1.772 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.957 12.400 -2.420 1.00 0.00 N ATOM 0 H LYS A 12 -6.019 11.395 1.605 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.572 9.862 1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.370 12.734 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.783 12.389 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.696 11.525 -0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.801 12.997 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.925 11.691 0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.826 10.202 0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.177 10.549 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.818 10.468 -2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.436 12.284 -3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.889 12.818 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.422 13.028 -1.786 1.00 0.00 H new ATOM 191 N LEU A 13 -2.714 9.656 3.328 1.00 0.00 N ATOM 192 CA LEU A 13 -2.250 9.392 4.678 1.00 0.00 C ATOM 193 C LEU A 13 -0.733 9.502 4.751 1.00 0.00 C ATOM 194 O LEU A 13 -0.026 9.108 3.819 1.00 0.00 O ATOM 195 CB LEU A 13 -2.704 8.001 5.143 1.00 0.00 C ATOM 196 CG LEU A 13 -2.569 6.874 4.106 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.388 5.533 4.801 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.796 6.831 3.197 1.00 0.00 C ATOM 0 H LEU A 13 -2.223 9.127 2.607 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.686 10.139 5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.127 7.728 6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.748 8.064 5.450 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.689 7.075 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.294 4.745 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.488 5.560 5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.253 5.331 5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.682 6.027 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.688 6.653 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.895 7.782 2.674 1.00 0.00 H new ATOM 210 N GLY A 14 -0.241 10.034 5.862 1.00 0.00 N ATOM 211 CA GLY A 14 1.181 10.226 6.027 1.00 0.00 C ATOM 212 C GLY A 14 1.807 9.178 6.922 1.00 0.00 C ATOM 213 O GLY A 14 1.406 9.009 8.074 1.00 0.00 O ATOM 0 H GLY A 14 -0.807 10.337 6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.664 10.200 5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.365 11.215 6.447 1.00 0.00 H new ATOM 217 N VAL A 15 2.789 8.477 6.386 1.00 0.00 N ATOM 218 CA VAL A 15 3.457 7.402 7.105 1.00 0.00 C ATOM 219 C VAL A 15 4.903 7.795 7.415 1.00 0.00 C ATOM 220 O VAL A 15 5.432 8.738 6.822 1.00 0.00 O ATOM 221 CB VAL A 15 3.442 6.094 6.271 1.00 0.00 C ATOM 222 CG1 VAL A 15 3.824 4.892 7.118 1.00 0.00 C ATOM 223 CG2 VAL A 15 2.080 5.875 5.627 1.00 0.00 C ATOM 0 H VAL A 15 3.147 8.634 5.444 1.00 0.00 H new ATOM 0 HA VAL A 15 2.921 7.231 8.038 1.00 0.00 H new ATOM 0 HB VAL A 15 4.186 6.202 5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.804 3.992 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.827 5.034 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.116 4.786 7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.096 4.952 5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.318 5.804 6.403 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.850 6.712 4.968 1.00 0.00 H new ATOM 233 N TYR A 16 5.533 7.077 8.342 1.00 0.00 N ATOM 234 CA TYR A 16 6.948 7.270 8.654 1.00 0.00 C ATOM 235 C TYR A 16 7.662 5.937 8.782 1.00 0.00 C ATOM 236 O TYR A 16 7.225 5.060 9.524 1.00 0.00 O ATOM 237 CB TYR A 16 7.141 8.040 9.955 1.00 0.00 C ATOM 238 CG TYR A 16 7.145 9.538 9.787 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.268 10.181 9.294 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.043 10.306 10.127 1.00 0.00 C ATOM 241 CE1 TYR A 16 8.300 11.547 9.144 1.00 0.00 C ATOM 242 CE2 TYR A 16 6.062 11.679 9.974 1.00 0.00 C ATOM 243 CZ TYR A 16 7.194 12.297 9.487 1.00 0.00 C ATOM 244 OH TYR A 16 7.219 13.669 9.343 1.00 0.00 O ATOM 0 H TYR A 16 5.081 6.349 8.895 1.00 0.00 H new ATOM 0 HA TYR A 16 7.370 7.845 7.830 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.347 7.765 10.649 1.00 0.00 H new ATOM 0 HB3 TYR A 16 8.083 7.733 10.410 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.135 9.598 9.022 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.158 9.825 10.517 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.186 12.030 8.760 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.194 12.266 10.235 1.00 0.00 H new ATOM 0 HH TYR A 16 6.360 14.044 9.629 1.00 0.00 H new ATOM 254 N ILE A 17 8.763 5.803 8.059 1.00 0.00 N ATOM 255 CA ILE A 17 9.626 4.633 8.161 1.00 0.00 C ATOM 256 C ILE A 17 11.064 5.018 7.836 1.00 0.00 C ATOM 257 O ILE A 17 11.296 5.996 7.117 1.00 0.00 O ATOM 258 CB ILE A 17 9.183 3.462 7.248 1.00 0.00 C ATOM 259 CG1 ILE A 17 8.762 3.962 5.863 1.00 0.00 C ATOM 260 CG2 ILE A 17 8.065 2.658 7.898 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.329 2.850 4.931 1.00 0.00 C ATOM 0 H ILE A 17 9.084 6.499 7.386 1.00 0.00 H new ATOM 0 HA ILE A 17 9.549 4.280 9.189 1.00 0.00 H new ATOM 0 HB ILE A 17 10.042 2.804 7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.943 4.673 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.594 4.502 5.411 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.772 1.842 7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.415 2.249 8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.207 3.306 8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.044 3.273 3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.154 2.151 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.477 2.324 5.363 1.00 0.00 H new ATOM 273 N PRO A 18 12.041 4.270 8.379 1.00 0.00 N ATOM 274 CA PRO A 18 13.476 4.559 8.214 1.00 0.00 C ATOM 275 C PRO A 18 13.931 4.586 6.752 1.00 0.00 C ATOM 276 O PRO A 18 13.260 4.073 5.849 1.00 0.00 O ATOM 277 CB PRO A 18 14.164 3.408 8.961 1.00 0.00 C ATOM 278 CG PRO A 18 13.141 2.902 9.915 1.00 0.00 C ATOM 279 CD PRO A 18 11.823 3.078 9.222 1.00 0.00 C ATOM 0 HA PRO A 18 13.720 5.551 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.483 2.625 8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.055 3.754 9.485 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.318 1.855 10.161 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.169 3.459 10.852 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.563 2.204 8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.011 3.231 9.933 1.00 0.00 H new ATOM 287 N GLN A 19 15.088 5.194 6.537 1.00 0.00 N ATOM 288 CA GLN A 19 15.651 5.354 5.205 1.00 0.00 C ATOM 289 C GLN A 19 16.019 4.004 4.587 1.00 0.00 C ATOM 290 O GLN A 19 15.875 3.820 3.385 1.00 0.00 O ATOM 291 CB GLN A 19 16.870 6.285 5.245 1.00 0.00 C ATOM 292 CG GLN A 19 18.033 5.760 6.071 1.00 0.00 C ATOM 293 CD GLN A 19 19.157 6.767 6.192 1.00 0.00 C ATOM 294 OE1 GLN A 19 19.189 7.571 7.123 1.00 0.00 O ATOM 295 NE2 GLN A 19 20.086 6.735 5.250 1.00 0.00 N ATOM 0 H GLN A 19 15.663 5.590 7.281 1.00 0.00 H new ATOM 0 HA GLN A 19 14.888 5.808 4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.213 6.458 4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.562 7.251 5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.677 5.495 7.067 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.415 4.846 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 19 20.023 6.053 4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 19 20.865 7.393 5.279 1.00 0.00 H new ATOM 304 N GLU A 20 16.485 3.059 5.408 1.00 0.00 N ATOM 305 CA GLU A 20 16.788 1.708 4.925 1.00 0.00 C ATOM 306 C GLU A 20 15.536 1.022 4.382 1.00 0.00 C ATOM 307 O GLU A 20 15.618 0.077 3.592 1.00 0.00 O ATOM 308 CB GLU A 20 17.437 0.845 6.007 1.00 0.00 C ATOM 309 CG GLU A 20 16.839 1.037 7.379 1.00 0.00 C ATOM 310 CD GLU A 20 17.572 2.092 8.178 1.00 0.00 C ATOM 311 OE1 GLU A 20 17.211 3.281 8.076 1.00 0.00 O ATOM 312 OE2 GLU A 20 18.533 1.738 8.894 1.00 0.00 O ATOM 0 H GLU A 20 16.660 3.202 6.403 1.00 0.00 H new ATOM 0 HA GLU A 20 17.506 1.818 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 20 17.346 -0.204 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.502 1.073 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 20 15.791 1.321 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.864 0.091 7.920 1.00 0.00 H new ATOM 319 N TRP A 21 14.375 1.522 4.779 1.00 0.00 N ATOM 320 CA TRP A 21 13.119 0.999 4.276 1.00 0.00 C ATOM 321 C TRP A 21 12.861 1.569 2.897 1.00 0.00 C ATOM 322 O TRP A 21 12.572 0.833 1.958 1.00 0.00 O ATOM 323 CB TRP A 21 11.964 1.375 5.201 1.00 0.00 C ATOM 324 CG TRP A 21 11.771 0.457 6.360 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.694 0.086 7.295 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.549 -0.191 6.716 1.00 0.00 C ATOM 327 NE1 TRP A 21 12.116 -0.760 8.212 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.795 -0.940 7.877 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.266 -0.201 6.161 1.00 0.00 C ATOM 330 CZ2 TRP A 21 9.802 -1.702 8.490 1.00 0.00 C ATOM 331 CZ3 TRP A 21 8.285 -0.951 6.768 1.00 0.00 C ATOM 332 CH2 TRP A 21 8.554 -1.688 7.923 1.00 0.00 C ATOM 0 H TRP A 21 14.279 2.287 5.446 1.00 0.00 H new ATOM 0 HA TRP A 21 13.186 -0.088 4.230 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.132 2.384 5.578 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.043 1.401 4.618 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.724 0.409 7.312 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.590 -1.184 9.010 1.00 0.00 H new ATOM 0 HE3 TRP A 21 9.048 0.370 5.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 10.008 -2.281 9.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.292 -0.970 6.345 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.760 -2.260 8.380 1.00 0.00 H new ATOM 343 N HIS A 22 13.009 2.881 2.776 1.00 0.00 N ATOM 344 CA HIS A 22 12.845 3.549 1.488 1.00 0.00 C ATOM 345 C HIS A 22 13.874 3.016 0.497 1.00 0.00 C ATOM 346 O HIS A 22 13.600 2.889 -0.692 1.00 0.00 O ATOM 347 CB HIS A 22 12.990 5.069 1.638 1.00 0.00 C ATOM 348 CG HIS A 22 11.882 5.715 2.422 1.00 0.00 C ATOM 349 ND1 HIS A 22 11.134 6.773 1.947 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.406 5.454 3.663 1.00 0.00 C ATOM 351 CE1 HIS A 22 10.246 7.127 2.855 1.00 0.00 C ATOM 352 NE2 HIS A 22 10.389 6.344 3.909 1.00 0.00 N ATOM 0 H HIS A 22 13.241 3.504 3.550 1.00 0.00 H new ATOM 0 HA HIS A 22 11.843 3.340 1.113 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.940 5.287 2.125 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.030 5.519 0.646 1.00 0.00 H new ATOM 0 HD1 HIS A 22 11.250 7.213 1.034 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.761 4.687 4.336 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.523 7.923 2.754 1.00 0.00 H new ATOM 361 N ASP A 23 15.047 2.686 1.023 1.00 0.00 N ATOM 362 CA ASP A 23 16.137 2.107 0.244 1.00 0.00 C ATOM 363 C ASP A 23 15.700 0.819 -0.454 1.00 0.00 C ATOM 364 O ASP A 23 15.803 0.693 -1.676 1.00 0.00 O ATOM 365 CB ASP A 23 17.316 1.828 1.177 1.00 0.00 C ATOM 366 CG ASP A 23 18.520 1.251 0.469 1.00 0.00 C ATOM 367 OD1 ASP A 23 18.597 0.015 0.343 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.413 2.031 0.076 1.00 0.00 O ATOM 0 H ASP A 23 15.271 2.813 2.010 1.00 0.00 H new ATOM 0 HA ASP A 23 16.432 2.815 -0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.605 2.755 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.997 1.136 1.957 1.00 0.00 H new ATOM 373 N ARG A 24 15.167 -0.119 0.319 1.00 0.00 N ATOM 374 CA ARG A 24 14.730 -1.400 -0.237 1.00 0.00 C ATOM 375 C ARG A 24 13.445 -1.233 -1.038 1.00 0.00 C ATOM 376 O ARG A 24 13.214 -1.953 -2.012 1.00 0.00 O ATOM 377 CB ARG A 24 14.511 -2.430 0.875 1.00 0.00 C ATOM 378 CG ARG A 24 15.754 -3.215 1.282 1.00 0.00 C ATOM 379 CD ARG A 24 16.885 -2.315 1.751 1.00 0.00 C ATOM 380 NE ARG A 24 17.863 -3.053 2.551 1.00 0.00 N ATOM 381 CZ ARG A 24 19.073 -2.598 2.876 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.523 -1.457 2.370 1.00 0.00 N ATOM 383 NH2 ARG A 24 19.847 -3.304 3.693 1.00 0.00 N ATOM 0 H ARG A 24 15.026 -0.022 1.325 1.00 0.00 H new ATOM 0 HA ARG A 24 15.517 -1.758 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.121 -1.916 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.745 -3.134 0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.495 -3.912 2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.096 -3.811 0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.380 -1.872 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.477 -1.494 2.340 1.00 0.00 H new ATOM 0 HE ARG A 24 17.600 -3.981 2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.942 -0.920 1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.450 -1.117 2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 24 19.515 -4.192 4.070 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.773 -2.958 3.943 1.00 0.00 H new ATOM 397 N LEU A 25 12.618 -0.275 -0.638 1.00 0.00 N ATOM 398 CA LEU A 25 11.384 0.003 -1.356 1.00 0.00 C ATOM 399 C LEU A 25 11.686 0.488 -2.763 1.00 0.00 C ATOM 400 O LEU A 25 11.159 -0.043 -3.727 1.00 0.00 O ATOM 401 CB LEU A 25 10.535 1.043 -0.619 1.00 0.00 C ATOM 402 CG LEU A 25 9.905 0.562 0.689 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.114 1.685 1.338 1.00 0.00 C ATOM 404 CD2 LEU A 25 9.013 -0.646 0.442 1.00 0.00 C ATOM 0 H LEU A 25 12.779 0.319 0.175 1.00 0.00 H new ATOM 0 HA LEU A 25 10.817 -0.926 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.158 1.912 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.740 1.377 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 25 10.704 0.263 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.671 1.328 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.779 2.522 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.324 2.011 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.574 -0.973 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.219 -0.376 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.606 -1.456 0.018 1.00 0.00 H new ATOM 416 N MET A 26 12.553 1.488 -2.873 1.00 0.00 N ATOM 417 CA MET A 26 12.890 2.077 -4.166 1.00 0.00 C ATOM 418 C MET A 26 13.564 1.072 -5.095 1.00 0.00 C ATOM 419 O MET A 26 13.389 1.137 -6.311 1.00 0.00 O ATOM 420 CB MET A 26 13.783 3.305 -3.990 1.00 0.00 C ATOM 421 CG MET A 26 13.080 4.469 -3.312 1.00 0.00 C ATOM 422 SD MET A 26 14.146 5.909 -3.116 1.00 0.00 S ATOM 423 CE MET A 26 13.016 7.060 -2.339 1.00 0.00 C ATOM 0 H MET A 26 13.037 1.910 -2.080 1.00 0.00 H new ATOM 0 HA MET A 26 11.951 2.382 -4.628 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.659 3.027 -3.403 1.00 0.00 H new ATOM 0 HB3 MET A 26 14.143 3.627 -4.967 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.203 4.748 -3.896 1.00 0.00 H new ATOM 0 HG3 MET A 26 12.722 4.151 -2.333 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.529 8.004 -2.152 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.164 7.234 -2.997 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.666 6.644 -1.394 1.00 0.00 H new ATOM 433 N GLU A 27 14.333 0.151 -4.528 1.00 0.00 N ATOM 434 CA GLU A 27 14.982 -0.888 -5.320 1.00 0.00 C ATOM 435 C GLU A 27 13.927 -1.767 -5.995 1.00 0.00 C ATOM 436 O GLU A 27 13.889 -1.896 -7.228 1.00 0.00 O ATOM 437 CB GLU A 27 15.883 -1.742 -4.423 1.00 0.00 C ATOM 438 CG GLU A 27 16.664 -2.821 -5.163 1.00 0.00 C ATOM 439 CD GLU A 27 17.814 -2.269 -5.979 1.00 0.00 C ATOM 440 OE1 GLU A 27 17.611 -1.932 -7.163 1.00 0.00 O ATOM 441 OE2 GLU A 27 18.941 -2.189 -5.445 1.00 0.00 O ATOM 0 H GLU A 27 14.523 0.101 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 27 15.594 -0.418 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.587 -1.089 -3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.269 -2.215 -3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 27 17.051 -3.540 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.986 -3.364 -5.822 1.00 0.00 H new ATOM 448 N ILE A 28 13.053 -2.344 -5.180 1.00 0.00 N ATOM 449 CA ILE A 28 11.990 -3.208 -5.681 1.00 0.00 C ATOM 450 C ILE A 28 11.033 -2.425 -6.580 1.00 0.00 C ATOM 451 O ILE A 28 10.641 -2.890 -7.651 1.00 0.00 O ATOM 452 CB ILE A 28 11.198 -3.850 -4.519 1.00 0.00 C ATOM 453 CG1 ILE A 28 12.135 -4.675 -3.634 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.067 -4.722 -5.050 1.00 0.00 C ATOM 455 CD1 ILE A 28 11.460 -5.278 -2.419 1.00 0.00 C ATOM 0 H ILE A 28 13.059 -2.229 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 28 12.461 -4.000 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 28 10.759 -3.052 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.570 -5.477 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.958 -4.041 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.524 -5.163 -4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.386 -4.113 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.481 -5.515 -5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.189 -5.847 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.049 -4.482 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.655 -5.939 -2.741 1.00 0.00 H new ATOM 467 N ALA A 29 10.692 -1.220 -6.143 1.00 0.00 N ATOM 468 CA ALA A 29 9.754 -0.363 -6.861 1.00 0.00 C ATOM 469 C ALA A 29 10.295 0.031 -8.228 1.00 0.00 C ATOM 470 O ALA A 29 9.538 0.356 -9.138 1.00 0.00 O ATOM 471 CB ALA A 29 9.442 0.876 -6.038 1.00 0.00 C ATOM 0 H ALA A 29 11.056 -0.809 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 29 8.835 -0.927 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.741 1.508 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.999 0.579 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.362 1.430 -5.852 1.00 0.00 H new ATOM 477 N LYS A 30 11.606 -0.039 -8.378 1.00 0.00 N ATOM 478 CA LYS A 30 12.253 0.336 -9.621 1.00 0.00 C ATOM 479 C LYS A 30 12.107 -0.776 -10.645 1.00 0.00 C ATOM 480 O LYS A 30 11.666 -0.546 -11.770 1.00 0.00 O ATOM 481 CB LYS A 30 13.729 0.625 -9.362 1.00 0.00 C ATOM 482 CG LYS A 30 14.568 0.821 -10.616 1.00 0.00 C ATOM 483 CD LYS A 30 16.040 0.983 -10.265 1.00 0.00 C ATOM 484 CE LYS A 30 16.566 -0.224 -9.498 1.00 0.00 C ATOM 485 NZ LYS A 30 17.966 -0.039 -9.044 1.00 0.00 N ATOM 0 H LYS A 30 12.246 -0.354 -7.649 1.00 0.00 H new ATOM 0 HA LYS A 30 11.777 1.234 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.807 1.520 -8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.150 -0.198 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.440 -0.033 -11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.220 1.701 -11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.620 1.117 -11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.176 1.884 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.928 -0.408 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.506 -1.108 -10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 18.109 -0.543 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 18.617 -0.418 -9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.155 0.974 -8.906 1.00 0.00 H new ATOM 499 N GLU A 31 12.466 -1.984 -10.245 1.00 0.00 N ATOM 500 CA GLU A 31 12.376 -3.132 -11.136 1.00 0.00 C ATOM 501 C GLU A 31 10.927 -3.425 -11.527 1.00 0.00 C ATOM 502 O GLU A 31 10.644 -3.753 -12.679 1.00 0.00 O ATOM 503 CB GLU A 31 12.995 -4.373 -10.497 1.00 0.00 C ATOM 504 CG GLU A 31 12.973 -5.581 -11.417 1.00 0.00 C ATOM 505 CD GLU A 31 13.581 -6.811 -10.790 1.00 0.00 C ATOM 506 OE1 GLU A 31 14.823 -6.928 -10.790 1.00 0.00 O ATOM 507 OE2 GLU A 31 12.818 -7.674 -10.313 1.00 0.00 O ATOM 0 H GLU A 31 12.821 -2.197 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 31 12.935 -2.881 -12.037 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.025 -4.155 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.457 -4.611 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.943 -5.796 -11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.513 -5.343 -12.334 1.00 0.00 H new ATOM 514 N LYS A 32 10.010 -3.280 -10.576 1.00 0.00 N ATOM 515 CA LYS A 32 8.628 -3.708 -10.781 1.00 0.00 C ATOM 516 C LYS A 32 7.729 -2.585 -11.295 1.00 0.00 C ATOM 517 O LYS A 32 6.556 -2.819 -11.591 1.00 0.00 O ATOM 518 CB LYS A 32 8.034 -4.280 -9.487 1.00 0.00 C ATOM 519 CG LYS A 32 8.514 -5.681 -9.119 1.00 0.00 C ATOM 520 CD LYS A 32 9.966 -5.704 -8.666 1.00 0.00 C ATOM 521 CE LYS A 32 10.380 -7.080 -8.160 1.00 0.00 C ATOM 522 NZ LYS A 32 10.330 -8.113 -9.228 1.00 0.00 N ATOM 0 H LYS A 32 10.196 -2.872 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 32 8.663 -4.483 -11.547 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.272 -3.604 -8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.948 -4.298 -9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.883 -6.080 -8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.396 -6.339 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.610 -5.413 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.112 -4.967 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.391 -7.027 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.725 -7.376 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.453 -9.055 -8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.410 -8.068 -9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.091 -7.939 -9.915 1.00 0.00 H new ATOM 536 N ASN A 33 8.284 -1.378 -11.398 1.00 0.00 N ATOM 537 CA ASN A 33 7.528 -0.198 -11.833 1.00 0.00 C ATOM 538 C ASN A 33 6.404 0.101 -10.838 1.00 0.00 C ATOM 539 O ASN A 33 5.220 0.065 -11.163 1.00 0.00 O ATOM 540 CB ASN A 33 6.974 -0.393 -13.256 1.00 0.00 C ATOM 541 CG ASN A 33 6.350 0.870 -13.831 1.00 0.00 C ATOM 542 OD1 ASN A 33 5.149 1.107 -13.691 1.00 0.00 O ATOM 543 ND2 ASN A 33 7.152 1.676 -14.514 1.00 0.00 N ATOM 0 H ASN A 33 9.263 -1.188 -11.185 1.00 0.00 H new ATOM 0 HA ASN A 33 8.202 0.658 -11.859 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.780 -0.724 -13.911 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.227 -1.187 -13.243 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.779 2.523 -14.943 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.142 1.449 -14.610 1.00 0.00 H new ATOM 550 N LEU A 34 6.803 0.374 -9.608 1.00 0.00 N ATOM 551 CA LEU A 34 5.875 0.638 -8.522 1.00 0.00 C ATOM 552 C LEU A 34 6.345 1.838 -7.719 1.00 0.00 C ATOM 553 O LEU A 34 7.473 2.299 -7.878 1.00 0.00 O ATOM 554 CB LEU A 34 5.772 -0.579 -7.598 1.00 0.00 C ATOM 555 CG LEU A 34 5.167 -1.836 -8.223 1.00 0.00 C ATOM 556 CD1 LEU A 34 5.257 -3.004 -7.253 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.719 -1.593 -8.624 1.00 0.00 C ATOM 0 H LEU A 34 7.784 0.419 -9.333 1.00 0.00 H new ATOM 0 HA LEU A 34 4.894 0.845 -8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.770 -0.821 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.174 -0.303 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 34 5.736 -2.081 -9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.822 -3.892 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.302 -3.196 -7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.711 -2.762 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.307 -2.500 -9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.138 -1.323 -7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.674 -0.782 -9.351 1.00 0.00 H new ATOM 569 N THR A 35 5.473 2.355 -6.877 1.00 0.00 N ATOM 570 CA THR A 35 5.855 3.396 -5.944 1.00 0.00 C ATOM 571 C THR A 35 5.857 2.817 -4.530 1.00 0.00 C ATOM 572 O THR A 35 5.214 1.794 -4.291 1.00 0.00 O ATOM 573 CB THR A 35 4.883 4.589 -6.014 1.00 0.00 C ATOM 574 OG1 THR A 35 4.423 4.759 -7.360 1.00 0.00 O ATOM 575 CG2 THR A 35 5.559 5.869 -5.547 1.00 0.00 C ATOM 0 H THR A 35 4.495 2.071 -6.820 1.00 0.00 H new ATOM 0 HA THR A 35 6.850 3.756 -6.207 1.00 0.00 H new ATOM 0 HB THR A 35 4.039 4.381 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.597 4.248 -7.490 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.852 6.696 -5.606 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.892 5.749 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.418 6.080 -6.184 1.00 0.00 H new ATOM 583 N LEU A 36 6.574 3.438 -3.600 1.00 0.00 N ATOM 584 CA LEU A 36 6.593 2.952 -2.220 1.00 0.00 C ATOM 585 C LEU A 36 5.178 2.944 -1.646 1.00 0.00 C ATOM 586 O LEU A 36 4.799 2.037 -0.901 1.00 0.00 O ATOM 587 CB LEU A 36 7.542 3.787 -1.340 1.00 0.00 C ATOM 588 CG LEU A 36 7.116 5.228 -1.027 1.00 0.00 C ATOM 589 CD1 LEU A 36 7.956 5.784 0.111 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.255 6.122 -2.248 1.00 0.00 C ATOM 0 H LEU A 36 7.143 4.267 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 36 6.973 1.930 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.678 3.261 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.516 3.820 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 36 6.067 5.211 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.646 6.807 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.817 5.169 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.008 5.776 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.946 7.136 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.295 6.131 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.625 5.741 -3.052 1.00 0.00 H new ATOM 602 N SER A 37 4.396 3.947 -2.028 1.00 0.00 N ATOM 603 CA SER A 37 2.988 4.011 -1.673 1.00 0.00 C ATOM 604 C SER A 37 2.245 2.779 -2.191 1.00 0.00 C ATOM 605 O SER A 37 1.436 2.181 -1.479 1.00 0.00 O ATOM 606 CB SER A 37 2.377 5.287 -2.253 1.00 0.00 C ATOM 607 OG SER A 37 2.820 5.489 -3.584 1.00 0.00 O ATOM 0 H SER A 37 4.720 4.734 -2.590 1.00 0.00 H new ATOM 0 HA SER A 37 2.894 4.028 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.289 5.219 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.655 6.143 -1.637 1.00 0.00 H new ATOM 0 HG SER A 37 2.419 6.309 -3.941 1.00 0.00 H new ATOM 613 N ASP A 38 2.547 2.393 -3.429 1.00 0.00 N ATOM 614 CA ASP A 38 1.915 1.238 -4.055 1.00 0.00 C ATOM 615 C ASP A 38 2.280 -0.043 -3.322 1.00 0.00 C ATOM 616 O ASP A 38 1.414 -0.854 -3.030 1.00 0.00 O ATOM 617 CB ASP A 38 2.306 1.126 -5.534 1.00 0.00 C ATOM 618 CG ASP A 38 1.584 2.129 -6.410 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.376 1.941 -6.665 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.227 3.105 -6.858 1.00 0.00 O ATOM 0 H ASP A 38 3.230 2.868 -4.020 1.00 0.00 H new ATOM 0 HA ASP A 38 0.836 1.381 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.382 1.272 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.088 0.118 -5.887 1.00 0.00 H new ATOM 625 N VAL A 39 3.553 -0.209 -3.000 1.00 0.00 N ATOM 626 CA VAL A 39 4.013 -1.403 -2.289 1.00 0.00 C ATOM 627 C VAL A 39 3.388 -1.480 -0.898 1.00 0.00 C ATOM 628 O VAL A 39 3.125 -2.565 -0.389 1.00 0.00 O ATOM 629 CB VAL A 39 5.553 -1.427 -2.164 1.00 0.00 C ATOM 630 CG1 VAL A 39 6.028 -2.704 -1.481 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.203 -1.286 -3.531 1.00 0.00 C ATOM 0 H VAL A 39 4.289 0.463 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 39 3.698 -2.268 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 39 5.852 -0.580 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.115 -2.694 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.596 -2.764 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.712 -3.568 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.287 -1.305 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.888 -2.111 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.900 -0.341 -3.982 1.00 0.00 H new ATOM 641 N CYS A 40 3.135 -0.326 -0.298 1.00 0.00 N ATOM 642 CA CYS A 40 2.550 -0.270 1.033 1.00 0.00 C ATOM 643 C CYS A 40 1.091 -0.751 1.004 1.00 0.00 C ATOM 644 O CYS A 40 0.711 -1.651 1.747 1.00 0.00 O ATOM 645 CB CYS A 40 2.657 1.166 1.581 1.00 0.00 C ATOM 646 SG CYS A 40 2.725 1.290 3.377 1.00 0.00 S ATOM 0 H CYS A 40 3.326 0.586 -0.713 1.00 0.00 H new ATOM 0 HA CYS A 40 3.099 -0.937 1.697 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.550 1.632 1.165 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.802 1.740 1.224 1.00 0.00 H new ATOM 0 HG CYS A 40 2.815 2.540 3.723 1.00 0.00 H new ATOM 652 N ARG A 41 0.264 -0.128 0.175 1.00 0.00 N ATOM 653 CA ARG A 41 -1.101 -0.599 -0.043 1.00 0.00 C ATOM 654 C ARG A 41 -1.139 -2.042 -0.578 1.00 0.00 C ATOM 655 O ARG A 41 -2.015 -2.818 -0.208 1.00 0.00 O ATOM 656 CB ARG A 41 -1.877 0.369 -0.958 1.00 0.00 C ATOM 657 CG ARG A 41 -1.261 0.628 -2.322 1.00 0.00 C ATOM 658 CD ARG A 41 -1.782 -0.332 -3.381 1.00 0.00 C ATOM 659 NE ARG A 41 -1.424 0.117 -4.727 1.00 0.00 N ATOM 660 CZ ARG A 41 -2.089 -0.210 -5.840 1.00 0.00 C ATOM 661 NH1 ARG A 41 -3.093 -1.087 -5.804 1.00 0.00 N ATOM 662 NH2 ARG A 41 -1.718 0.321 -6.998 1.00 0.00 N ATOM 0 H ARG A 41 0.513 0.705 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.599 -0.615 0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.882 -0.026 -1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.981 1.323 -0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.475 1.653 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.177 0.536 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.373 -1.327 -3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.866 -0.414 -3.299 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.609 0.723 -4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.362 -1.518 -4.920 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.591 -1.327 -6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.933 0.971 -7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.218 0.079 -7.854 1.00 0.00 H new ATOM 676 N LEU A 42 -0.180 -2.421 -1.416 1.00 0.00 N ATOM 677 CA LEU A 42 -0.103 -3.807 -1.879 1.00 0.00 C ATOM 678 C LEU A 42 0.274 -4.711 -0.717 1.00 0.00 C ATOM 679 O LEU A 42 -0.017 -5.910 -0.719 1.00 0.00 O ATOM 680 CB LEU A 42 0.908 -3.965 -3.018 1.00 0.00 C ATOM 681 CG LEU A 42 0.511 -3.295 -4.334 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.609 -3.466 -5.370 1.00 0.00 C ATOM 683 CD2 LEU A 42 -0.801 -3.864 -4.850 1.00 0.00 C ATOM 0 H LEU A 42 0.543 -1.803 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.082 -4.092 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.865 -3.555 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.062 -5.028 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 42 0.374 -2.230 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.310 -2.983 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.529 -3.010 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.777 -4.528 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.066 -3.374 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.692 -4.935 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.587 -3.691 -4.115 1.00 0.00 H new ATOM 695 N ALA A 43 0.908 -4.114 0.281 1.00 0.00 N ATOM 696 CA ALA A 43 1.258 -4.818 1.494 1.00 0.00 C ATOM 697 C ALA A 43 0.013 -5.085 2.337 1.00 0.00 C ATOM 698 O ALA A 43 -0.065 -6.096 3.023 1.00 0.00 O ATOM 699 CB ALA A 43 2.293 -4.042 2.287 1.00 0.00 C ATOM 0 H ALA A 43 1.191 -3.134 0.268 1.00 0.00 H new ATOM 0 HA ALA A 43 1.695 -5.778 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.541 -4.590 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.192 -3.913 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.890 -3.064 2.552 1.00 0.00 H new ATOM 705 N ILE A 44 -0.969 -4.183 2.261 1.00 0.00 N ATOM 706 CA ILE A 44 -2.231 -4.362 2.973 1.00 0.00 C ATOM 707 C ILE A 44 -2.951 -5.572 2.423 1.00 0.00 C ATOM 708 O ILE A 44 -3.401 -6.441 3.171 1.00 0.00 O ATOM 709 CB ILE A 44 -3.177 -3.145 2.831 1.00 0.00 C ATOM 710 CG1 ILE A 44 -2.626 -1.921 3.548 1.00 0.00 C ATOM 711 CG2 ILE A 44 -4.567 -3.476 3.363 1.00 0.00 C ATOM 712 CD1 ILE A 44 -2.552 -2.086 5.053 1.00 0.00 C ATOM 0 H ILE A 44 -0.912 -3.324 1.714 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.982 -4.483 4.027 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.249 -2.913 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.629 -1.703 3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.253 -1.060 3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.215 -2.607 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.983 -4.312 2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.498 -3.747 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.150 -1.176 5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.550 -2.274 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.902 -2.927 5.295 1.00 0.00 H new ATOM 724 N LYS A 45 -3.052 -5.617 1.103 1.00 0.00 N ATOM 725 CA LYS A 45 -3.714 -6.716 0.437 1.00 0.00 C ATOM 726 C LYS A 45 -3.025 -8.024 0.804 1.00 0.00 C ATOM 727 O LYS A 45 -3.678 -9.044 0.993 1.00 0.00 O ATOM 728 CB LYS A 45 -3.717 -6.502 -1.084 1.00 0.00 C ATOM 729 CG LYS A 45 -4.893 -7.157 -1.805 1.00 0.00 C ATOM 730 CD LYS A 45 -4.714 -8.660 -1.972 1.00 0.00 C ATOM 731 CE LYS A 45 -3.690 -8.986 -3.047 1.00 0.00 C ATOM 732 NZ LYS A 45 -3.552 -10.451 -3.258 1.00 0.00 N ATOM 0 H LYS A 45 -2.682 -4.902 0.476 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.752 -6.763 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.730 -5.432 -1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.788 -6.895 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.809 -6.964 -1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.014 -6.698 -2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.399 -9.097 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.671 -9.114 -2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.983 -8.511 -3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.724 -8.567 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.844 -10.630 -3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.247 -10.902 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.468 -10.847 -3.551 1.00 0.00 H new ATOM 746 N GLU A 46 -1.704 -7.967 0.947 1.00 0.00 N ATOM 747 CA GLU A 46 -0.927 -9.138 1.316 1.00 0.00 C ATOM 748 C GLU A 46 -1.187 -9.489 2.771 1.00 0.00 C ATOM 749 O GLU A 46 -1.302 -10.653 3.128 1.00 0.00 O ATOM 750 CB GLU A 46 0.565 -8.879 1.105 1.00 0.00 C ATOM 751 CG GLU A 46 1.421 -10.133 1.200 1.00 0.00 C ATOM 752 CD GLU A 46 1.304 -11.015 -0.027 1.00 0.00 C ATOM 753 OE1 GLU A 46 0.246 -10.988 -0.693 1.00 0.00 O ATOM 754 OE2 GLU A 46 2.280 -11.716 -0.351 1.00 0.00 O ATOM 0 H GLU A 46 -1.152 -7.120 0.812 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.229 -9.972 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.711 -8.423 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.908 -8.158 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.464 -9.847 1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.127 -10.703 2.081 1.00 0.00 H new ATOM 761 N TYR A 47 -1.300 -8.464 3.603 1.00 0.00 N ATOM 762 CA TYR A 47 -1.516 -8.643 5.027 1.00 0.00 C ATOM 763 C TYR A 47 -2.849 -9.339 5.276 1.00 0.00 C ATOM 764 O TYR A 47 -2.931 -10.302 6.044 1.00 0.00 O ATOM 765 CB TYR A 47 -1.488 -7.290 5.746 1.00 0.00 C ATOM 766 CG TYR A 47 -1.559 -7.398 7.253 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.406 -7.574 8.006 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.775 -7.330 7.920 1.00 0.00 C ATOM 769 CE1 TYR A 47 -0.463 -7.678 9.381 1.00 0.00 C ATOM 770 CE2 TYR A 47 -2.840 -7.436 9.295 1.00 0.00 C ATOM 771 CZ TYR A 47 -1.681 -7.610 10.020 1.00 0.00 C ATOM 772 OH TYR A 47 -1.743 -7.722 11.388 1.00 0.00 O ATOM 0 H TYR A 47 -1.244 -7.489 3.309 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.714 -9.266 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.575 -6.762 5.472 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.324 -6.685 5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.551 -7.630 7.508 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.684 -7.192 7.354 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.443 -7.812 9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.793 -7.383 9.799 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.676 -7.652 11.680 1.00 0.00 H new ATOM 782 N LEU A 48 -3.884 -8.848 4.611 1.00 0.00 N ATOM 783 CA LEU A 48 -5.219 -9.412 4.748 1.00 0.00 C ATOM 784 C LEU A 48 -5.254 -10.825 4.182 1.00 0.00 C ATOM 785 O LEU A 48 -5.704 -11.761 4.841 1.00 0.00 O ATOM 786 CB LEU A 48 -6.249 -8.542 4.014 1.00 0.00 C ATOM 787 CG LEU A 48 -6.241 -7.055 4.373 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.308 -6.313 3.580 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.452 -6.860 5.868 1.00 0.00 C ATOM 0 H LEU A 48 -3.825 -8.058 3.969 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.470 -9.441 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.080 -8.638 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.243 -8.940 4.217 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.266 -6.643 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.290 -5.256 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.110 -6.422 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.289 -6.729 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.443 -5.795 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.412 -7.287 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.653 -7.358 6.416 1.00 0.00 H new ATOM 801 N ASP A 49 -4.765 -10.957 2.961 1.00 0.00 N ATOM 802 CA ASP A 49 -4.831 -12.211 2.220 1.00 0.00 C ATOM 803 C ASP A 49 -3.986 -13.314 2.862 1.00 0.00 C ATOM 804 O ASP A 49 -4.407 -14.470 2.926 1.00 0.00 O ATOM 805 CB ASP A 49 -4.378 -11.965 0.784 1.00 0.00 C ATOM 806 CG ASP A 49 -4.697 -13.115 -0.145 1.00 0.00 C ATOM 807 OD1 ASP A 49 -5.871 -13.245 -0.553 1.00 0.00 O ATOM 808 OD2 ASP A 49 -3.773 -13.881 -0.489 1.00 0.00 O ATOM 0 H ASP A 49 -4.310 -10.199 2.452 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.864 -12.558 2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.856 -11.060 0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.303 -11.786 0.774 1.00 0.00 H new ATOM 813 N ASN A 50 -2.802 -12.957 3.349 1.00 0.00 N ATOM 814 CA ASN A 50 -1.862 -13.959 3.851 1.00 0.00 C ATOM 815 C ASN A 50 -2.243 -14.422 5.259 1.00 0.00 C ATOM 816 O ASN A 50 -1.944 -15.553 5.645 1.00 0.00 O ATOM 817 CB ASN A 50 -0.411 -13.435 3.809 1.00 0.00 C ATOM 818 CG ASN A 50 0.113 -12.947 5.150 1.00 0.00 C ATOM 819 OD1 ASN A 50 0.614 -13.729 5.963 1.00 0.00 O ATOM 820 ND2 ASN A 50 0.032 -11.647 5.370 1.00 0.00 N ATOM 0 H ASN A 50 -2.471 -11.994 3.408 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.920 -14.825 3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.240 -14.229 3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.352 -12.619 3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.392 -11.254 6.240 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.390 -11.037 4.670 1.00 0.00 H new ATOM 827 N HIS A 51 -2.927 -13.569 6.018 1.00 0.00 N ATOM 828 CA HIS A 51 -3.388 -13.957 7.351 1.00 0.00 C ATOM 829 C HIS A 51 -4.753 -14.613 7.269 1.00 0.00 C ATOM 830 O HIS A 51 -4.924 -15.766 7.664 1.00 0.00 O ATOM 831 CB HIS A 51 -3.450 -12.762 8.306 1.00 0.00 C ATOM 832 CG HIS A 51 -2.136 -12.412 8.929 1.00 0.00 C ATOM 833 ND1 HIS A 51 -1.616 -13.087 10.011 1.00 0.00 N ATOM 834 CD2 HIS A 51 -1.240 -11.449 8.628 1.00 0.00 C ATOM 835 CE1 HIS A 51 -0.460 -12.552 10.346 1.00 0.00 C ATOM 836 NE2 HIS A 51 -0.205 -11.556 9.524 1.00 0.00 N ATOM 0 H HIS A 51 -3.172 -12.619 5.740 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.663 -14.668 7.747 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.825 -11.895 7.763 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.169 -12.978 9.096 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.322 -10.727 7.829 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.173 -12.876 11.159 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.624 -10.962 9.549 1.00 0.00 H new ATOM 845 N ASP A 52 -5.717 -13.889 6.729 1.00 0.00 N ATOM 846 CA ASP A 52 -7.069 -14.402 6.604 1.00 0.00 C ATOM 847 C ASP A 52 -7.262 -14.985 5.216 1.00 0.00 C ATOM 848 O ASP A 52 -7.875 -14.368 4.345 1.00 0.00 O ATOM 849 CB ASP A 52 -8.103 -13.305 6.874 1.00 0.00 C ATOM 850 CG ASP A 52 -8.042 -12.780 8.296 1.00 0.00 C ATOM 851 OD1 ASP A 52 -8.543 -13.469 9.215 1.00 0.00 O ATOM 852 OD2 ASP A 52 -7.499 -11.671 8.505 1.00 0.00 O ATOM 0 H ASP A 52 -5.588 -12.943 6.370 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.216 -15.185 7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.942 -12.481 6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.101 -13.696 6.678 1.00 0.00 H new ATOM 857 N LYS A 53 -6.729 -16.187 5.024 1.00 0.00 N ATOM 858 CA LYS A 53 -6.773 -16.866 3.729 1.00 0.00 C ATOM 859 C LYS A 53 -8.189 -17.323 3.390 1.00 0.00 C ATOM 860 O LYS A 53 -8.433 -17.878 2.319 1.00 0.00 O ATOM 861 CB LYS A 53 -5.840 -18.079 3.732 1.00 0.00 C ATOM 862 CG LYS A 53 -4.399 -17.757 4.092 1.00 0.00 C ATOM 863 CD LYS A 53 -3.537 -19.008 4.045 1.00 0.00 C ATOM 864 CE LYS A 53 -2.120 -18.744 4.530 1.00 0.00 C ATOM 865 NZ LYS A 53 -2.093 -18.285 5.942 1.00 0.00 N ATOM 0 H LYS A 53 -6.256 -16.718 5.756 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.446 -16.152 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.223 -18.816 4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.861 -18.542 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.005 -17.012 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.358 -17.319 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.992 -19.784 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.505 -19.388 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.528 -19.654 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.654 -17.991 3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.335 -18.780 6.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.918 -17.260 5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.007 -18.493 6.392 1.00 0.00 H new ATOM 879 N GLN A 54 -9.118 -17.085 4.302 1.00 0.00 N ATOM 880 CA GLN A 54 -10.502 -17.478 4.105 1.00 0.00 C ATOM 881 C GLN A 54 -11.250 -16.407 3.329 1.00 0.00 C ATOM 882 O GLN A 54 -11.999 -15.610 3.898 1.00 0.00 O ATOM 883 CB GLN A 54 -11.180 -17.740 5.450 1.00 0.00 C ATOM 884 CG GLN A 54 -10.603 -18.934 6.191 1.00 0.00 C ATOM 885 CD GLN A 54 -10.740 -20.220 5.401 1.00 0.00 C ATOM 886 OE1 GLN A 54 -9.861 -20.578 4.617 1.00 0.00 O ATOM 887 NE2 GLN A 54 -11.847 -20.916 5.592 1.00 0.00 N ATOM 0 H GLN A 54 -8.936 -16.619 5.191 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.522 -18.401 3.526 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.085 -16.852 6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.245 -17.903 5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.550 -18.752 6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.109 -19.043 7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.551 -20.584 6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.998 -21.785 5.080 1.00 0.00 H new ATOM 896 N LYS A 55 -11.017 -16.384 2.026 1.00 0.00 N ATOM 897 CA LYS A 55 -11.695 -15.453 1.144 1.00 0.00 C ATOM 898 C LYS A 55 -13.060 -16.025 0.806 1.00 0.00 C ATOM 899 O LYS A 55 -14.099 -15.439 1.123 1.00 0.00 O ATOM 900 CB LYS A 55 -10.888 -15.232 -0.144 1.00 0.00 C ATOM 901 CG LYS A 55 -9.378 -15.164 0.064 1.00 0.00 C ATOM 902 CD LYS A 55 -8.973 -14.047 1.013 1.00 0.00 C ATOM 903 CE LYS A 55 -9.291 -12.673 0.445 1.00 0.00 C ATOM 904 NZ LYS A 55 -8.945 -11.589 1.403 1.00 0.00 N ATOM 0 H LYS A 55 -10.359 -17.005 1.555 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.798 -14.490 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.111 -16.040 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.220 -14.306 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.025 -16.117 0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.888 -15.015 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.490 -14.174 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.905 -14.116 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.740 -12.527 -0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.352 -12.617 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.176 -10.667 0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.489 -11.714 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.928 -11.627 1.618 1.00 0.00 H new ATOM 918 N LYS A 56 -13.041 -17.182 0.167 1.00 0.00 N ATOM 919 CA LYS A 56 -14.250 -17.923 -0.130 1.00 0.00 C ATOM 920 C LYS A 56 -13.938 -19.411 -0.150 1.00 0.00 C ATOM 921 O LYS A 56 -14.263 -20.101 0.838 1.00 0.00 O ATOM 922 CB LYS A 56 -14.850 -17.483 -1.464 1.00 0.00 C ATOM 923 CG LYS A 56 -16.193 -18.132 -1.767 1.00 0.00 C ATOM 924 CD LYS A 56 -16.825 -17.544 -3.017 1.00 0.00 C ATOM 925 CE LYS A 56 -15.990 -17.817 -4.257 1.00 0.00 C ATOM 926 NZ LYS A 56 -16.524 -17.102 -5.442 1.00 0.00 N ATOM 927 OXT LYS A 56 -13.330 -19.876 -1.137 1.00 0.00 O ATOM 0 H LYS A 56 -12.186 -17.632 -0.160 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.987 -17.719 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.971 -16.400 -1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -14.150 -17.722 -2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.059 -19.206 -1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.864 -17.995 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -17.822 -17.964 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.946 -16.468 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.960 -17.508 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.971 -18.889 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.930 -17.311 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.498 -17.415 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.518 -16.078 -5.261 1.00 0.00 H new TER 941 LYS A 56 ATOM 942 N GLY B 2 23.045 14.811 20.667 1.00 0.00 N ATOM 943 CA GLY B 2 23.101 14.700 19.194 1.00 0.00 C ATOM 944 C GLY B 2 21.763 14.320 18.612 1.00 0.00 C ATOM 945 O GLY B 2 20.842 13.967 19.349 1.00 0.00 O ATOM 0 HA2 GLY B 2 23.426 15.650 18.770 1.00 0.00 H new ATOM 0 HA3 GLY B 2 23.845 13.954 18.913 1.00 0.00 H new ATOM 951 N ARG B 3 21.645 14.396 17.297 1.00 0.00 N ATOM 952 CA ARG B 3 20.420 14.005 16.620 1.00 0.00 C ATOM 953 C ARG B 3 20.615 12.675 15.916 1.00 0.00 C ATOM 954 O ARG B 3 21.358 12.584 14.936 1.00 0.00 O ATOM 955 CB ARG B 3 19.983 15.068 15.611 1.00 0.00 C ATOM 956 CG ARG B 3 19.665 16.409 16.241 1.00 0.00 C ATOM 957 CD ARG B 3 19.081 17.378 15.226 1.00 0.00 C ATOM 958 NE ARG B 3 17.779 16.928 14.723 1.00 0.00 N ATOM 959 CZ ARG B 3 16.985 17.654 13.933 1.00 0.00 C ATOM 960 NH1 ARG B 3 17.363 18.863 13.529 1.00 0.00 N ATOM 961 NH2 ARG B 3 15.817 17.160 13.539 1.00 0.00 N ATOM 0 H ARG B 3 22.384 14.726 16.676 1.00 0.00 H new ATOM 0 HA ARG B 3 19.637 13.905 17.371 1.00 0.00 H new ATOM 0 HB2 ARG B 3 20.773 15.202 14.872 1.00 0.00 H new ATOM 0 HB3 ARG B 3 19.103 14.710 15.076 1.00 0.00 H new ATOM 0 HG2 ARG B 3 18.959 16.269 17.060 1.00 0.00 H new ATOM 0 HG3 ARG B 3 20.572 16.834 16.671 1.00 0.00 H new ATOM 0 HD2 ARG B 3 18.973 18.361 15.684 1.00 0.00 H new ATOM 0 HD3 ARG B 3 19.773 17.490 14.391 1.00 0.00 H new ATOM 0 HE ARG B 3 17.459 15.998 14.995 1.00 0.00 H new ATOM 0 HH11 ARG B 3 18.264 19.240 13.823 1.00 0.00 H new ATOM 0 HH12 ARG B 3 16.752 19.413 12.925 1.00 0.00 H new ATOM 0 HH21 ARG B 3 15.529 16.229 13.840 1.00 0.00 H new ATOM 0 HH22 ARG B 3 15.207 17.712 12.935 1.00 0.00 H new ATOM 975 N PRO B 4 19.973 11.619 16.423 1.00 0.00 N ATOM 976 CA PRO B 4 20.033 10.292 15.820 1.00 0.00 C ATOM 977 C PRO B 4 19.252 10.247 14.513 1.00 0.00 C ATOM 978 O PRO B 4 18.106 9.808 14.478 1.00 0.00 O ATOM 979 CB PRO B 4 19.385 9.376 16.871 1.00 0.00 C ATOM 980 CG PRO B 4 19.231 10.210 18.099 1.00 0.00 C ATOM 981 CD PRO B 4 19.131 11.628 17.624 1.00 0.00 C ATOM 0 HA PRO B 4 21.052 9.995 15.570 1.00 0.00 H new ATOM 0 HB2 PRO B 4 18.419 9.007 16.526 1.00 0.00 H new ATOM 0 HB3 PRO B 4 20.008 8.504 17.067 1.00 0.00 H new ATOM 0 HG2 PRO B 4 18.341 9.922 18.658 1.00 0.00 H new ATOM 0 HG3 PRO B 4 20.082 10.081 18.768 1.00 0.00 H new ATOM 0 HD2 PRO B 4 18.103 11.909 17.397 1.00 0.00 H new ATOM 0 HD3 PRO B 4 19.496 12.333 18.371 1.00 0.00 H new ATOM 989 N TYR B 5 19.889 10.680 13.435 1.00 0.00 N ATOM 990 CA TYR B 5 19.217 10.810 12.151 1.00 0.00 C ATOM 991 C TYR B 5 19.175 9.468 11.439 1.00 0.00 C ATOM 992 O TYR B 5 18.354 9.246 10.555 1.00 0.00 O ATOM 993 CB TYR B 5 19.935 11.845 11.275 1.00 0.00 C ATOM 994 CG TYR B 5 21.206 11.337 10.617 1.00 0.00 C ATOM 995 CD1 TYR B 5 22.413 11.305 11.308 1.00 0.00 C ATOM 996 CD2 TYR B 5 21.191 10.887 9.301 1.00 0.00 C ATOM 997 CE1 TYR B 5 23.567 10.838 10.704 1.00 0.00 C ATOM 998 CE2 TYR B 5 22.339 10.420 8.693 1.00 0.00 C ATOM 999 CZ TYR B 5 23.522 10.396 9.396 1.00 0.00 C ATOM 1000 OH TYR B 5 24.664 9.929 8.785 1.00 0.00 O ATOM 0 H TYR B 5 20.873 10.948 13.424 1.00 0.00 H new ATOM 0 HA TYR B 5 18.196 11.147 12.329 1.00 0.00 H new ATOM 0 HB2 TYR B 5 19.249 12.184 10.499 1.00 0.00 H new ATOM 0 HB3 TYR B 5 20.179 12.714 11.886 1.00 0.00 H new ATOM 0 HD1 TYR B 5 22.450 11.650 12.331 1.00 0.00 H new ATOM 0 HD2 TYR B 5 20.265 10.903 8.745 1.00 0.00 H new ATOM 0 HE1 TYR B 5 24.497 10.819 11.252 1.00 0.00 H new ATOM 0 HE2 TYR B 5 22.309 10.075 7.670 1.00 0.00 H new ATOM 0 HH TYR B 5 24.456 9.657 7.867 1.00 0.00 H new ATOM 1010 N LYS B 6 20.084 8.587 11.822 1.00 0.00 N ATOM 1011 CA LYS B 6 20.142 7.256 11.243 1.00 0.00 C ATOM 1012 C LYS B 6 19.486 6.242 12.177 1.00 0.00 C ATOM 1013 O LYS B 6 19.080 5.162 11.751 1.00 0.00 O ATOM 1014 CB LYS B 6 21.592 6.853 10.948 1.00 0.00 C ATOM 1015 CG LYS B 6 21.696 5.585 10.119 1.00 0.00 C ATOM 1016 CD LYS B 6 21.097 5.778 8.733 1.00 0.00 C ATOM 1017 CE LYS B 6 20.738 4.450 8.090 1.00 0.00 C ATOM 1018 NZ LYS B 6 19.628 3.778 8.817 1.00 0.00 N ATOM 0 H LYS B 6 20.793 8.770 12.532 1.00 0.00 H new ATOM 0 HA LYS B 6 19.594 7.268 10.301 1.00 0.00 H new ATOM 0 HB2 LYS B 6 22.090 7.667 10.421 1.00 0.00 H new ATOM 0 HB3 LYS B 6 22.123 6.710 11.889 1.00 0.00 H new ATOM 0 HG2 LYS B 6 22.742 5.293 10.028 1.00 0.00 H new ATOM 0 HG3 LYS B 6 21.181 4.771 10.630 1.00 0.00 H new ATOM 0 HD2 LYS B 6 20.206 6.401 8.805 1.00 0.00 H new ATOM 0 HD3 LYS B 6 21.807 6.309 8.100 1.00 0.00 H new ATOM 0 HE2 LYS B 6 20.449 4.613 7.052 1.00 0.00 H new ATOM 0 HE3 LYS B 6 21.614 3.801 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 19.688 2.750 8.669 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 19.702 3.987 9.833 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 18.716 4.126 8.458 1.00 0.00 H new ATOM 1032 N LEU B 7 19.374 6.611 13.447 1.00 0.00 N ATOM 1033 CA LEU B 7 18.743 5.751 14.441 1.00 0.00 C ATOM 1034 C LEU B 7 17.246 6.020 14.474 1.00 0.00 C ATOM 1035 O LEU B 7 16.435 5.103 14.362 1.00 0.00 O ATOM 1036 CB LEU B 7 19.359 5.991 15.821 1.00 0.00 C ATOM 1037 CG LEU B 7 20.858 5.705 15.923 1.00 0.00 C ATOM 1038 CD1 LEU B 7 21.375 6.063 17.307 1.00 0.00 C ATOM 1039 CD2 LEU B 7 21.145 4.243 15.615 1.00 0.00 C ATOM 0 H LEU B 7 19.712 7.501 13.813 1.00 0.00 H new ATOM 0 HA LEU B 7 18.911 4.709 14.168 1.00 0.00 H new ATOM 0 HB2 LEU B 7 19.183 7.029 16.104 1.00 0.00 H new ATOM 0 HB3 LEU B 7 18.836 5.369 16.548 1.00 0.00 H new ATOM 0 HG LEU B 7 21.375 6.322 15.188 1.00 0.00 H new ATOM 0 HD11 LEU B 7 22.443 5.853 17.362 1.00 0.00 H new ATOM 0 HD12 LEU B 7 21.203 7.122 17.497 1.00 0.00 H new ATOM 0 HD13 LEU B 7 20.850 5.470 18.056 1.00 0.00 H new ATOM 0 HD21 LEU B 7 22.216 4.058 15.692 1.00 0.00 H new ATOM 0 HD22 LEU B 7 20.615 3.610 16.327 1.00 0.00 H new ATOM 0 HD23 LEU B 7 20.809 4.011 14.604 1.00 0.00 H new ATOM 1051 N LEU B 8 16.886 7.288 14.613 1.00 0.00 N ATOM 1052 CA LEU B 8 15.500 7.706 14.482 1.00 0.00 C ATOM 1053 C LEU B 8 15.254 8.131 13.045 1.00 0.00 C ATOM 1054 O LEU B 8 14.671 9.182 12.772 1.00 0.00 O ATOM 1055 CB LEU B 8 15.159 8.851 15.447 1.00 0.00 C ATOM 1056 CG LEU B 8 14.852 8.440 16.894 1.00 0.00 C ATOM 1057 CD1 LEU B 8 13.719 7.430 16.933 1.00 0.00 C ATOM 1058 CD2 LEU B 8 16.089 7.887 17.582 1.00 0.00 C ATOM 0 H LEU B 8 17.537 8.046 14.817 1.00 0.00 H new ATOM 0 HA LEU B 8 14.853 6.868 14.741 1.00 0.00 H new ATOM 0 HB2 LEU B 8 15.994 9.552 15.458 1.00 0.00 H new ATOM 0 HB3 LEU B 8 14.297 9.389 15.052 1.00 0.00 H new ATOM 0 HG LEU B 8 14.539 9.331 17.437 1.00 0.00 H new ATOM 0 HD11 LEU B 8 13.516 7.151 17.967 1.00 0.00 H new ATOM 0 HD12 LEU B 8 12.824 7.870 16.493 1.00 0.00 H new ATOM 0 HD13 LEU B 8 14.003 6.543 16.367 1.00 0.00 H new ATOM 0 HD21 LEU B 8 15.841 7.605 18.605 1.00 0.00 H new ATOM 0 HD22 LEU B 8 16.446 7.011 17.040 1.00 0.00 H new ATOM 0 HD23 LEU B 8 16.869 8.648 17.595 1.00 0.00 H new ATOM 1070 N ASN B 9 15.717 7.292 12.131 1.00 0.00 N ATOM 1071 CA ASN B 9 15.625 7.570 10.709 1.00 0.00 C ATOM 1072 C ASN B 9 14.220 7.287 10.209 1.00 0.00 C ATOM 1073 O ASN B 9 13.642 6.237 10.495 1.00 0.00 O ATOM 1074 CB ASN B 9 16.640 6.723 9.932 1.00 0.00 C ATOM 1075 CG ASN B 9 16.724 7.101 8.464 1.00 0.00 C ATOM 1076 OD1 ASN B 9 16.036 6.530 7.621 1.00 0.00 O ATOM 1077 ND2 ASN B 9 17.562 8.075 8.156 1.00 0.00 N ATOM 0 H ASN B 9 16.165 6.403 12.354 1.00 0.00 H new ATOM 0 HA ASN B 9 15.852 8.624 10.547 1.00 0.00 H new ATOM 0 HB2 ASN B 9 17.624 6.835 10.388 1.00 0.00 H new ATOM 0 HB3 ASN B 9 16.368 5.671 10.016 1.00 0.00 H new ATOM 0 HD21 ASN B 9 17.656 8.379 7.187 1.00 0.00 H new ATOM 0 HD22 ASN B 9 18.115 8.523 8.887 1.00 0.00 H new ATOM 1084 N GLY B 10 13.679 8.233 9.465 1.00 0.00 N ATOM 1085 CA GLY B 10 12.335 8.102 8.962 1.00 0.00 C ATOM 1086 C GLY B 10 12.063 9.063 7.831 1.00 0.00 C ATOM 1087 O GLY B 10 12.202 10.279 7.986 1.00 0.00 O ATOM 0 H GLY B 10 14.152 9.096 9.199 1.00 0.00 H new ATOM 0 HA2 GLY B 10 12.174 7.080 8.617 1.00 0.00 H new ATOM 0 HA3 GLY B 10 11.626 8.281 9.770 1.00 0.00 H new ATOM 1091 N ILE B 11 11.693 8.515 6.691 1.00 0.00 N ATOM 1092 CA ILE B 11 11.379 9.311 5.519 1.00 0.00 C ATOM 1093 C ILE B 11 9.869 9.329 5.349 1.00 0.00 C ATOM 1094 O ILE B 11 9.199 8.359 5.714 1.00 0.00 O ATOM 1095 CB ILE B 11 12.045 8.732 4.248 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.525 8.427 4.505 1.00 0.00 C ATOM 1097 CG2 ILE B 11 11.900 9.692 3.073 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.341 9.642 4.893 1.00 0.00 C ATOM 0 H ILE B 11 11.601 7.509 6.550 1.00 0.00 H new ATOM 0 HA ILE B 11 11.764 10.321 5.658 1.00 0.00 H new ATOM 0 HB ILE B 11 11.536 7.801 3.996 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.601 7.682 5.297 1.00 0.00 H new ATOM 0 HG13 ILE B 11 13.956 7.983 3.608 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.376 9.263 2.191 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.843 9.860 2.869 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.378 10.641 3.317 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.377 9.347 5.058 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.297 10.380 4.092 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.937 10.075 5.808 1.00 0.00 H new ATOM 1110 N LYS B 12 9.334 10.403 4.789 1.00 0.00 N ATOM 1111 CA LYS B 12 7.896 10.568 4.722 1.00 0.00 C ATOM 1112 C LYS B 12 7.385 10.170 3.352 1.00 0.00 C ATOM 1113 O LYS B 12 7.898 10.607 2.323 1.00 0.00 O ATOM 1114 CB LYS B 12 7.511 12.016 5.045 1.00 0.00 C ATOM 1115 CG LYS B 12 6.035 12.214 5.372 1.00 0.00 C ATOM 1116 CD LYS B 12 5.177 12.367 4.127 1.00 0.00 C ATOM 1117 CE LYS B 12 3.696 12.335 4.470 1.00 0.00 C ATOM 1118 NZ LYS B 12 3.321 13.376 5.464 1.00 0.00 N ATOM 0 H LYS B 12 9.872 11.166 4.378 1.00 0.00 H new ATOM 0 HA LYS B 12 7.433 9.917 5.463 1.00 0.00 H new ATOM 0 HB2 LYS B 12 8.108 12.358 5.890 1.00 0.00 H new ATOM 0 HB3 LYS B 12 7.771 12.647 4.195 1.00 0.00 H new ATOM 0 HG2 LYS B 12 5.678 11.364 5.953 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.921 13.098 5.999 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.417 13.307 3.630 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.407 11.567 3.423 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.112 12.478 3.561 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.438 11.352 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.285 13.427 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.723 13.131 6.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.692 14.298 5.158 1.00 0.00 H new ATOM 1132 N LEU B 13 6.386 9.315 3.368 1.00 0.00 N ATOM 1133 CA LEU B 13 5.798 8.779 2.161 1.00 0.00 C ATOM 1134 C LEU B 13 4.287 8.883 2.239 1.00 0.00 C ATOM 1135 O LEU B 13 3.730 9.119 3.315 1.00 0.00 O ATOM 1136 CB LEU B 13 6.225 7.319 1.954 1.00 0.00 C ATOM 1137 CG LEU B 13 5.982 6.375 3.142 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.930 4.932 2.668 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.075 6.533 4.195 1.00 0.00 C ATOM 0 H LEU B 13 5.956 8.970 4.226 1.00 0.00 H new ATOM 0 HA LEU B 13 6.151 9.359 1.309 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.695 6.925 1.087 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.288 7.302 1.713 1.00 0.00 H new ATOM 0 HG LEU B 13 5.025 6.639 3.592 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.757 4.275 3.520 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.119 4.814 1.949 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.876 4.670 2.194 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.881 5.854 5.026 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.043 6.297 3.753 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.083 7.560 4.560 1.00 0.00 H new ATOM 1151 N GLY B 14 3.628 8.708 1.113 1.00 0.00 N ATOM 1152 CA GLY B 14 2.195 8.843 1.083 1.00 0.00 C ATOM 1153 C GLY B 14 1.548 7.802 0.204 1.00 0.00 C ATOM 1154 O GLY B 14 1.864 7.697 -0.981 1.00 0.00 O ATOM 0 H GLY B 14 4.059 8.475 0.219 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.801 8.758 2.096 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.932 9.837 0.722 1.00 0.00 H new ATOM 1158 N VAL B 15 0.656 7.021 0.787 1.00 0.00 N ATOM 1159 CA VAL B 15 -0.032 5.974 0.052 1.00 0.00 C ATOM 1160 C VAL B 15 -1.467 6.405 -0.245 1.00 0.00 C ATOM 1161 O VAL B 15 -2.081 7.123 0.546 1.00 0.00 O ATOM 1162 CB VAL B 15 -0.016 4.630 0.832 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.632 3.512 0.008 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.405 4.268 1.239 1.00 0.00 C ATOM 0 H VAL B 15 0.391 7.092 1.769 1.00 0.00 H new ATOM 0 HA VAL B 15 0.495 5.814 -0.889 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.617 4.756 1.733 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.607 2.584 0.578 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.665 3.763 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.066 3.386 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.398 3.324 1.784 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.024 4.168 0.348 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.812 5.053 1.877 1.00 0.00 H new ATOM 1174 N TYR B 16 -1.979 6.008 -1.403 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.341 6.340 -1.796 1.00 0.00 C ATOM 1176 C TYR B 16 -4.193 5.081 -1.799 1.00 0.00 C ATOM 1177 O TYR B 16 -3.913 4.142 -2.546 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.350 6.961 -3.190 1.00 0.00 C ATOM 1179 CG TYR B 16 -4.370 8.064 -3.361 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -4.699 8.892 -2.303 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -4.989 8.287 -4.583 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -5.614 9.909 -2.445 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -5.914 9.305 -4.737 1.00 0.00 C ATOM 1184 CZ TYR B 16 -6.221 10.116 -3.665 1.00 0.00 C ATOM 1185 OH TYR B 16 -7.131 11.137 -3.814 1.00 0.00 O ATOM 0 H TYR B 16 -1.468 5.453 -2.089 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.749 7.057 -1.083 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.359 7.359 -3.406 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.547 6.180 -3.924 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -4.227 8.736 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.745 7.657 -5.426 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.856 10.542 -1.604 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -6.393 9.463 -5.692 1.00 0.00 H new ATOM 0 HH TYR B 16 -7.889 10.991 -3.210 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.232 5.052 -0.975 1.00 0.00 N ATOM 1196 CA ILE B 17 -6.021 3.834 -0.806 1.00 0.00 C ATOM 1197 C ILE B 17 -7.516 4.126 -0.657 1.00 0.00 C ATOM 1198 O ILE B 17 -7.904 5.211 -0.215 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.536 3.009 0.405 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.709 3.785 1.711 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.082 2.597 0.225 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.320 2.984 2.936 1.00 0.00 C ATOM 0 H ILE B 17 -5.547 5.846 -0.418 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.875 3.252 -1.716 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.151 2.111 0.462 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.105 4.691 1.670 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.749 4.099 1.805 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.759 2.016 1.089 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.984 1.992 -0.676 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.460 3.488 0.133 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.466 3.591 3.829 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -5.941 2.091 2.999 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.272 2.693 2.863 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.361 3.140 -1.017 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.834 3.275 -1.034 1.00 0.00 C ATOM 1216 C PRO B 18 -10.449 3.605 0.333 1.00 0.00 C ATOM 1217 O PRO B 18 -9.788 3.537 1.375 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.317 1.895 -1.494 1.00 0.00 C ATOM 1219 CG PRO B 18 -9.148 1.262 -2.158 1.00 0.00 C ATOM 1220 CD PRO B 18 -7.935 1.799 -1.458 1.00 0.00 C ATOM 0 HA PRO B 18 -10.133 4.104 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.658 1.298 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.158 1.983 -2.182 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.195 0.176 -2.079 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -9.124 1.504 -3.221 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.647 1.171 -0.615 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -7.075 1.850 -2.126 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.741 3.933 0.318 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.443 4.357 1.526 1.00 0.00 C ATOM 1230 C GLN B 19 -12.852 3.149 2.365 1.00 0.00 C ATOM 1231 O GLN B 19 -12.825 3.205 3.590 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.674 5.215 1.178 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.905 4.421 0.753 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.987 4.391 1.824 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -16.891 5.223 1.830 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -15.885 3.446 2.750 1.00 0.00 N ATOM 0 H GLN B 19 -12.322 3.913 -0.520 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.759 4.969 2.114 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.932 5.824 2.045 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -13.406 5.901 0.375 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -15.315 4.855 -0.159 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.608 3.400 0.514 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -15.119 2.773 2.710 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -16.572 3.392 3.502 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.235 2.057 1.699 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.580 0.811 2.382 1.00 0.00 C ATOM 1247 C GLU B 20 -12.381 0.292 3.153 1.00 0.00 C ATOM 1248 O GLU B 20 -12.515 -0.458 4.119 1.00 0.00 O ATOM 1249 CB GLU B 20 -14.064 -0.252 1.397 1.00 0.00 C ATOM 1250 CG GLU B 20 -13.103 -0.491 0.253 1.00 0.00 C ATOM 1251 CD GLU B 20 -13.421 0.354 -0.959 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -13.307 1.592 -0.873 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -13.812 -0.225 -1.992 1.00 0.00 O ATOM 0 H GLU B 20 -13.314 2.012 0.683 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.394 1.024 3.075 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -14.221 -1.189 1.932 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -15.030 0.050 0.993 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -12.088 -0.276 0.585 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -13.130 -1.544 -0.026 1.00 0.00 H new ATOM 1260 N TRP B 21 -11.211 0.740 2.734 1.00 0.00 N ATOM 1261 CA TRP B 21 -9.980 0.387 3.393 1.00 0.00 C ATOM 1262 C TRP B 21 -9.820 1.243 4.626 1.00 0.00 C ATOM 1263 O TRP B 21 -9.538 0.736 5.694 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.806 0.616 2.459 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.278 -0.622 1.820 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -8.960 -1.750 1.465 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -6.926 -0.837 1.456 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.094 -2.651 0.888 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -6.841 -2.108 0.871 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.778 -0.064 1.566 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -5.641 -2.619 0.397 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.596 -0.570 1.101 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.532 -1.830 0.520 1.00 0.00 C ATOM 0 H TRP B 21 -11.094 1.356 1.930 1.00 0.00 H new ATOM 0 HA TRP B 21 -10.007 -0.666 3.673 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -9.109 1.313 1.678 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -8.001 1.094 3.017 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.017 -1.911 1.614 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -8.347 -3.573 0.532 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.818 0.919 2.011 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -5.586 -3.600 -0.051 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.696 0.021 1.187 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -3.583 -2.195 0.157 1.00 0.00 H new ATOM 1284 N HIS B 22 -10.035 2.544 4.473 1.00 0.00 N ATOM 1285 CA HIS B 22 -9.999 3.457 5.610 1.00 0.00 C ATOM 1286 C HIS B 22 -11.015 3.036 6.664 1.00 0.00 C ATOM 1287 O HIS B 22 -10.743 3.112 7.856 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.269 4.897 5.167 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.065 5.578 4.590 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.520 6.719 5.132 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.292 5.267 3.523 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.466 7.078 4.429 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.304 6.216 3.446 1.00 0.00 N ATOM 0 H HIS B 22 -10.235 2.989 3.578 1.00 0.00 H new ATOM 0 HA HIS B 22 -9.000 3.413 6.044 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -11.068 4.897 4.425 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.627 5.471 6.022 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.428 4.428 2.856 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -6.839 7.935 4.625 1.00 0.00 H new ATOM 0 HE2 HIS B 22 -6.565 6.249 2.743 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.170 2.571 6.206 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.229 2.098 7.089 1.00 0.00 C ATOM 1304 C ASP B 23 -12.736 0.958 7.989 1.00 0.00 C ATOM 1305 O ASP B 23 -12.790 1.052 9.223 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.412 1.628 6.241 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.633 1.275 7.060 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -15.706 0.136 7.562 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -16.538 2.127 7.172 1.00 0.00 O ATOM 0 H ASP B 23 -12.399 2.511 5.214 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.539 2.918 7.737 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.674 2.411 5.530 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.110 0.757 5.659 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.209 -0.097 7.373 1.00 0.00 N ATOM 1315 CA ARG B 24 -11.771 -1.280 8.117 1.00 0.00 C ATOM 1316 C ARG B 24 -10.458 -1.010 8.843 1.00 0.00 C ATOM 1317 O ARG B 24 -10.239 -1.493 9.952 1.00 0.00 O ATOM 1318 CB ARG B 24 -11.598 -2.487 7.186 1.00 0.00 C ATOM 1319 CG ARG B 24 -12.887 -3.230 6.850 1.00 0.00 C ATOM 1320 CD ARG B 24 -13.898 -2.338 6.150 1.00 0.00 C ATOM 1321 NE ARG B 24 -14.971 -3.108 5.521 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.050 -2.567 4.953 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.282 -1.265 5.053 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -16.915 -3.341 4.318 1.00 0.00 N ATOM 0 H ARG B 24 -12.074 -0.159 6.364 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.545 -1.507 8.850 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.139 -2.148 6.257 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -10.902 -3.187 7.649 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -12.657 -4.084 6.213 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -13.326 -3.625 7.766 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.327 -1.642 6.871 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -13.390 -1.740 5.393 1.00 0.00 H new ATOM 0 HE ARG B 24 -14.889 -4.125 5.516 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -15.633 -0.669 5.567 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -17.109 -0.859 4.616 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -16.755 -4.347 4.264 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -17.741 -2.932 3.882 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.591 -0.230 8.216 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.302 0.103 8.802 1.00 0.00 C ATOM 1340 C LEU B 25 -8.470 0.990 10.025 1.00 0.00 C ATOM 1341 O LEU B 25 -7.694 0.889 10.962 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.386 0.773 7.774 1.00 0.00 C ATOM 1343 CG LEU B 25 -6.828 -0.162 6.694 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -5.960 0.609 5.712 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -6.035 -1.295 7.323 1.00 0.00 C ATOM 0 H LEU B 25 -9.757 0.185 7.299 1.00 0.00 H new ATOM 0 HA LEU B 25 -7.833 -0.829 9.119 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.938 1.577 7.287 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.550 1.234 8.301 1.00 0.00 H new ATOM 0 HG LEU B 25 -7.669 -0.590 6.149 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.574 -0.073 4.954 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -6.555 1.386 5.232 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.127 1.068 6.245 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.648 -1.947 6.540 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.204 -0.883 7.896 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -6.683 -1.869 7.985 1.00 0.00 H new ATOM 1357 N MET B 26 -9.470 1.870 10.011 1.00 0.00 N ATOM 1358 CA MET B 26 -9.788 2.666 11.194 1.00 0.00 C ATOM 1359 C MET B 26 -10.311 1.787 12.319 1.00 0.00 C ATOM 1360 O MET B 26 -10.070 2.064 13.492 1.00 0.00 O ATOM 1361 CB MET B 26 -10.792 3.781 10.887 1.00 0.00 C ATOM 1362 CG MET B 26 -10.140 5.055 10.374 1.00 0.00 C ATOM 1363 SD MET B 26 -11.277 6.455 10.343 1.00 0.00 S ATOM 1364 CE MET B 26 -10.147 7.792 9.963 1.00 0.00 C ATOM 0 H MET B 26 -10.067 2.048 9.204 1.00 0.00 H new ATOM 0 HA MET B 26 -8.858 3.136 11.515 1.00 0.00 H new ATOM 0 HB2 MET B 26 -11.506 3.423 10.145 1.00 0.00 H new ATOM 0 HB3 MET B 26 -11.358 4.009 11.790 1.00 0.00 H new ATOM 0 HG2 MET B 26 -9.285 5.300 11.005 1.00 0.00 H new ATOM 0 HG3 MET B 26 -9.755 4.882 9.369 1.00 0.00 H new ATOM 0 HE1 MET B 26 -10.699 8.730 9.909 1.00 0.00 H new ATOM 0 HE2 MET B 26 -9.389 7.861 10.744 1.00 0.00 H new ATOM 0 HE3 MET B 26 -9.664 7.599 9.005 1.00 0.00 H new ATOM 1374 N GLU B 27 -11.024 0.726 11.963 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.478 -0.231 12.960 1.00 0.00 C ATOM 1376 C GLU B 27 -10.274 -0.917 13.596 1.00 0.00 C ATOM 1377 O GLU B 27 -10.223 -1.120 14.812 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.418 -1.260 12.326 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.106 -2.161 13.337 1.00 0.00 C ATOM 1380 CD GLU B 27 -13.934 -1.378 14.332 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -14.930 -0.748 13.917 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -13.600 -1.395 15.530 1.00 0.00 O ATOM 0 H GLU B 27 -11.297 0.509 11.004 1.00 0.00 H new ATOM 0 HA GLU B 27 -12.033 0.297 13.736 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.176 -0.736 11.744 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -11.851 -1.877 11.629 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -13.747 -2.870 12.812 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -12.356 -2.744 13.871 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.295 -1.245 12.763 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.034 -1.798 13.233 1.00 0.00 C ATOM 1391 C ILE B 28 -7.289 -0.748 14.055 1.00 0.00 C ATOM 1392 O ILE B 28 -6.657 -1.055 15.065 1.00 0.00 O ATOM 1393 CB ILE B 28 -7.153 -2.260 12.046 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -7.852 -3.388 11.280 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -5.780 -2.709 12.529 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -7.103 -3.850 10.045 1.00 0.00 C ATOM 0 H ILE B 28 -9.352 -1.136 11.750 1.00 0.00 H new ATOM 0 HA ILE B 28 -8.248 -2.667 13.856 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.010 -1.415 11.373 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -7.988 -4.238 11.949 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -8.846 -3.052 10.985 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -5.181 -3.028 11.676 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -5.282 -1.880 13.032 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -5.893 -3.540 13.225 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -7.662 -4.649 9.558 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -6.990 -3.014 9.354 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -6.119 -4.219 10.333 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.411 0.497 13.621 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.743 1.622 14.256 1.00 0.00 C ATOM 1410 C ALA B 29 -7.242 1.821 15.675 1.00 0.00 C ATOM 1411 O ALA B 29 -6.504 2.260 16.556 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.960 2.884 13.434 1.00 0.00 C ATOM 0 H ALA B 29 -7.979 0.756 12.814 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.675 1.408 14.304 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -6.457 3.723 13.915 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.551 2.741 12.434 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -8.027 3.093 13.363 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.499 1.476 15.884 1.00 0.00 N ATOM 1419 CA LYS B 30 -9.129 1.614 17.181 1.00 0.00 C ATOM 1420 C LYS B 30 -8.811 0.406 18.037 1.00 0.00 C ATOM 1421 O LYS B 30 -8.222 0.522 19.109 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.637 1.708 16.997 1.00 0.00 C ATOM 1423 CG LYS B 30 -11.396 2.137 18.241 1.00 0.00 C ATOM 1424 CD LYS B 30 -12.878 2.324 17.945 1.00 0.00 C ATOM 1425 CE LYS B 30 -13.560 1.008 17.599 1.00 0.00 C ATOM 1426 NZ LYS B 30 -14.973 1.210 17.191 1.00 0.00 N ATOM 0 H LYS B 30 -9.109 1.094 15.161 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.755 2.514 17.669 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.849 2.415 16.195 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -11.013 0.737 16.674 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -11.270 1.388 19.023 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.978 3.069 18.622 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -13.367 2.769 18.811 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.997 3.023 17.117 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -13.015 0.517 16.792 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -13.522 0.341 18.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -15.403 0.291 16.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -15.499 1.655 17.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -15.008 1.826 16.353 1.00 0.00 H new ATOM 1440 N GLU B 31 -9.186 -0.756 17.528 1.00 0.00 N ATOM 1441 CA GLU B 31 -9.083 -1.996 18.274 1.00 0.00 C ATOM 1442 C GLU B 31 -7.631 -2.330 18.629 1.00 0.00 C ATOM 1443 O GLU B 31 -7.336 -2.759 19.743 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.691 -3.141 17.470 1.00 0.00 C ATOM 1445 CG GLU B 31 -9.817 -4.435 18.256 1.00 0.00 C ATOM 1446 CD GLU B 31 -10.143 -5.623 17.381 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -11.253 -5.667 16.818 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -9.285 -6.524 17.266 1.00 0.00 O ATOM 0 H GLU B 31 -9.569 -0.865 16.589 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.634 -1.865 19.206 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -10.678 -2.842 17.117 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -9.077 -3.320 16.587 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -8.884 -4.625 18.786 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -10.595 -4.322 19.011 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.731 -2.136 17.675 1.00 0.00 N ATOM 1456 CA LYS B 32 -5.336 -2.515 17.859 1.00 0.00 C ATOM 1457 C LYS B 32 -4.501 -1.329 18.328 1.00 0.00 C ATOM 1458 O LYS B 32 -3.336 -1.486 18.697 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.739 -3.077 16.559 1.00 0.00 C ATOM 1460 CG LYS B 32 -5.313 -4.418 16.101 1.00 0.00 C ATOM 1461 CD LYS B 32 -6.742 -4.301 15.588 1.00 0.00 C ATOM 1462 CE LYS B 32 -7.182 -5.551 14.839 1.00 0.00 C ATOM 1463 NZ LYS B 32 -7.175 -6.767 15.697 1.00 0.00 N ATOM 0 H LYS B 32 -6.941 -1.720 16.768 1.00 0.00 H new ATOM 0 HA LYS B 32 -5.312 -3.290 18.625 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.889 -2.346 15.764 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.663 -3.188 16.691 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.681 -4.829 15.314 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -5.286 -5.123 16.932 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -7.415 -4.125 16.427 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -6.821 -3.436 14.929 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -8.185 -5.397 14.442 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -6.522 -5.709 13.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -7.547 -7.575 15.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.202 -6.972 16.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -7.772 -6.605 16.533 1.00 0.00 H new ATOM 1477 N ASN B 33 -5.122 -0.148 18.320 1.00 0.00 N ATOM 1478 CA ASN B 33 -4.461 1.111 18.681 1.00 0.00 C ATOM 1479 C ASN B 33 -3.295 1.400 17.729 1.00 0.00 C ATOM 1480 O ASN B 33 -2.161 1.627 18.146 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.987 1.088 20.142 1.00 0.00 C ATOM 1482 CG ASN B 33 -3.721 2.482 20.686 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -2.608 3.002 20.593 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -4.741 3.095 21.268 1.00 0.00 N ATOM 0 H ASN B 33 -6.102 -0.036 18.062 1.00 0.00 H new ATOM 0 HA ASN B 33 -5.189 1.916 18.582 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -4.741 0.598 20.758 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -3.078 0.492 20.217 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -4.619 4.030 21.658 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -5.648 2.632 21.326 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.598 1.389 16.444 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.611 1.614 15.392 1.00 0.00 C ATOM 1493 C LEU B 34 -3.111 2.688 14.442 1.00 0.00 C ATOM 1494 O LEU B 34 -4.251 3.121 14.548 1.00 0.00 O ATOM 1495 CB LEU B 34 -2.362 0.324 14.607 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.653 -0.785 15.376 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -1.621 -2.058 14.549 1.00 0.00 C ATOM 1498 CD2 LEU B 34 -0.242 -0.357 15.752 1.00 0.00 C ATOM 0 H LEU B 34 -4.541 1.223 16.094 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.678 1.935 15.855 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.320 -0.057 14.255 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.771 0.565 13.724 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.206 -0.980 16.295 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -1.112 -2.843 15.109 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.640 -2.373 14.327 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.087 -1.873 13.617 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.248 -1.161 16.300 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.325 -0.137 14.847 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.287 0.534 16.378 1.00 0.00 H new ATOM 1510 N THR B 35 -2.253 3.167 13.560 1.00 0.00 N ATOM 1511 CA THR B 35 -2.721 3.995 12.465 1.00 0.00 C ATOM 1512 C THR B 35 -2.712 3.170 11.190 1.00 0.00 C ATOM 1513 O THR B 35 -1.958 2.199 11.081 1.00 0.00 O ATOM 1514 CB THR B 35 -1.862 5.262 12.270 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.539 4.910 11.840 1.00 0.00 O ATOM 1516 CG2 THR B 35 -1.786 6.069 13.559 1.00 0.00 C ATOM 0 H THR B 35 -1.247 3.001 13.579 1.00 0.00 H new ATOM 0 HA THR B 35 -3.730 4.329 12.706 1.00 0.00 H new ATOM 0 HB THR B 35 -2.336 5.874 11.502 1.00 0.00 H new ATOM 0 HG1 THR B 35 0.010 4.688 12.621 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.175 6.957 13.397 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.790 6.369 13.860 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.338 5.459 14.344 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.559 3.525 10.239 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.612 2.818 8.966 1.00 0.00 C ATOM 1526 C LEU B 36 -2.254 2.865 8.268 1.00 0.00 C ATOM 1527 O LEU B 36 -1.855 1.916 7.592 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.711 3.400 8.069 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.463 4.803 7.497 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.479 5.100 6.410 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.540 5.870 8.582 1.00 0.00 C ATOM 0 H LEU B 36 -4.220 4.298 10.322 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.855 1.774 9.162 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.868 2.715 7.235 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.639 3.425 8.640 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.457 4.823 7.077 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.300 6.097 6.007 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.384 4.363 5.612 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.484 5.054 6.829 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -4.360 6.851 8.141 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.530 5.854 9.039 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.786 5.670 9.343 1.00 0.00 H new ATOM 1543 N SER B 37 -1.546 3.972 8.461 1.00 0.00 N ATOM 1544 CA SER B 37 -0.185 4.120 7.978 1.00 0.00 C ATOM 1545 C SER B 37 0.718 3.020 8.542 1.00 0.00 C ATOM 1546 O SER B 37 1.546 2.456 7.822 1.00 0.00 O ATOM 1547 CB SER B 37 0.331 5.506 8.370 1.00 0.00 C ATOM 1548 OG SER B 37 -0.476 6.067 9.400 1.00 0.00 O ATOM 0 H SER B 37 -1.902 4.789 8.957 1.00 0.00 H new ATOM 0 HA SER B 37 -0.173 4.023 6.892 1.00 0.00 H new ATOM 0 HB2 SER B 37 1.364 5.433 8.709 1.00 0.00 H new ATOM 0 HB3 SER B 37 0.327 6.162 7.499 1.00 0.00 H new ATOM 0 HG SER B 37 -0.399 5.521 10.210 1.00 0.00 H new ATOM 1554 N ASP B 38 0.528 2.699 9.820 1.00 0.00 N ATOM 1555 CA ASP B 38 1.318 1.661 10.476 1.00 0.00 C ATOM 1556 C ASP B 38 1.037 0.310 9.855 1.00 0.00 C ATOM 1557 O ASP B 38 1.956 -0.396 9.459 1.00 0.00 O ATOM 1558 CB ASP B 38 1.021 1.580 11.979 1.00 0.00 C ATOM 1559 CG ASP B 38 1.558 2.757 12.760 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.780 3.012 12.694 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.759 3.416 13.456 1.00 0.00 O ATOM 0 H ASP B 38 -0.166 3.143 10.421 1.00 0.00 H new ATOM 0 HA ASP B 38 2.366 1.928 10.339 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -0.057 1.517 12.126 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.451 0.662 12.378 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.241 -0.022 9.736 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.652 -1.334 9.252 1.00 0.00 C ATOM 1568 C VAL B 39 -0.118 -1.586 7.846 1.00 0.00 C ATOM 1569 O VAL B 39 0.311 -2.692 7.535 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.191 -1.475 9.248 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.607 -2.891 8.879 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.769 -1.081 10.598 1.00 0.00 C ATOM 0 H VAL B 39 -1.014 0.601 9.969 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.234 -2.074 9.934 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.590 -0.798 8.492 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.695 -2.964 8.883 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.231 -3.133 7.885 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.194 -3.592 9.604 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.854 -1.187 10.574 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.358 -1.728 11.373 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.511 -0.045 10.816 1.00 0.00 H new ATOM 1582 N CYS B 40 -0.111 -0.552 7.018 1.00 0.00 N ATOM 1583 CA CYS B 40 0.341 -0.687 5.643 1.00 0.00 C ATOM 1584 C CYS B 40 1.842 -1.031 5.599 1.00 0.00 C ATOM 1585 O CYS B 40 2.233 -2.080 5.086 1.00 0.00 O ATOM 1586 CB CYS B 40 0.032 0.600 4.858 1.00 0.00 C ATOM 1587 SG CYS B 40 -0.491 0.332 3.154 1.00 0.00 S ATOM 0 H CYS B 40 -0.413 0.388 7.274 1.00 0.00 H new ATOM 0 HA CYS B 40 -0.197 -1.508 5.169 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.749 1.151 5.382 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.921 1.231 4.857 1.00 0.00 H new ATOM 0 HG CYS B 40 -0.152 -0.866 2.779 1.00 0.00 H new ATOM 1593 N ARG B 41 2.682 -0.151 6.144 1.00 0.00 N ATOM 1594 CA ARG B 41 4.131 -0.386 6.171 1.00 0.00 C ATOM 1595 C ARG B 41 4.528 -1.621 7.002 1.00 0.00 C ATOM 1596 O ARG B 41 5.490 -2.311 6.664 1.00 0.00 O ATOM 1597 CB ARG B 41 4.877 0.870 6.648 1.00 0.00 C ATOM 1598 CG ARG B 41 4.429 1.420 7.996 1.00 0.00 C ATOM 1599 CD ARG B 41 5.162 0.768 9.153 1.00 0.00 C ATOM 1600 NE ARG B 41 4.827 1.402 10.429 1.00 0.00 N ATOM 1601 CZ ARG B 41 5.644 1.453 11.483 1.00 0.00 C ATOM 1602 NH1 ARG B 41 6.835 0.864 11.446 1.00 0.00 N ATOM 1603 NH2 ARG B 41 5.263 2.087 12.581 1.00 0.00 N ATOM 0 H ARG B 41 2.389 0.728 6.571 1.00 0.00 H new ATOM 0 HA ARG B 41 4.432 -0.603 5.146 1.00 0.00 H new ATOM 0 HB2 ARG B 41 5.941 0.642 6.703 1.00 0.00 H new ATOM 0 HB3 ARG B 41 4.757 1.651 5.897 1.00 0.00 H new ATOM 0 HG2 ARG B 41 4.598 2.497 8.022 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.357 1.263 8.113 1.00 0.00 H new ATOM 0 HD2 ARG B 41 4.908 -0.291 9.195 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.237 0.832 8.986 1.00 0.00 H new ATOM 0 HE ARG B 41 3.907 1.834 10.519 1.00 0.00 H new ATOM 0 HH11 ARG B 41 7.132 0.367 10.606 1.00 0.00 H new ATOM 0 HH12 ARG B 41 7.452 0.909 12.257 1.00 0.00 H new ATOM 0 HH21 ARG B 41 4.347 2.535 12.620 1.00 0.00 H new ATOM 0 HH22 ARG B 41 5.885 2.128 13.388 1.00 0.00 H new ATOM 1617 N LEU B 42 3.796 -1.910 8.073 1.00 0.00 N ATOM 1618 CA LEU B 42 4.082 -3.096 8.882 1.00 0.00 C ATOM 1619 C LEU B 42 3.764 -4.349 8.084 1.00 0.00 C ATOM 1620 O LEU B 42 4.416 -5.387 8.231 1.00 0.00 O ATOM 1621 CB LEU B 42 3.279 -3.090 10.189 1.00 0.00 C ATOM 1622 CG LEU B 42 3.710 -2.042 11.218 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.783 -2.067 12.425 1.00 0.00 C ATOM 1624 CD2 LEU B 42 5.151 -2.277 11.643 1.00 0.00 C ATOM 0 H LEU B 42 3.009 -1.349 8.400 1.00 0.00 H new ATOM 0 HA LEU B 42 5.141 -3.084 9.140 1.00 0.00 H new ATOM 0 HB2 LEU B 42 2.228 -2.929 9.949 1.00 0.00 H new ATOM 0 HB3 LEU B 42 3.354 -4.076 10.647 1.00 0.00 H new ATOM 0 HG LEU B 42 3.644 -1.056 10.757 1.00 0.00 H new ATOM 0 HD11 LEU B 42 3.104 -1.316 13.146 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.764 -1.851 12.105 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.816 -3.053 12.889 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.442 -1.523 12.375 1.00 0.00 H new ATOM 0 HD22 LEU B 42 5.242 -3.268 12.087 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.803 -2.208 10.772 1.00 0.00 H new ATOM 1636 N ALA B 43 2.776 -4.231 7.217 1.00 0.00 N ATOM 1637 CA ALA B 43 2.411 -5.318 6.338 1.00 0.00 C ATOM 1638 C ALA B 43 3.481 -5.515 5.268 1.00 0.00 C ATOM 1639 O ALA B 43 3.615 -6.602 4.722 1.00 0.00 O ATOM 1640 CB ALA B 43 1.057 -5.055 5.705 1.00 0.00 C ATOM 0 H ALA B 43 2.212 -3.389 7.105 1.00 0.00 H new ATOM 0 HA ALA B 43 2.340 -6.234 6.924 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.797 -5.883 5.046 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.302 -4.962 6.486 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.098 -4.131 5.128 1.00 0.00 H new ATOM 1646 N ILE B 44 4.245 -4.458 4.977 1.00 0.00 N ATOM 1647 CA ILE B 44 5.363 -4.554 4.038 1.00 0.00 C ATOM 1648 C ILE B 44 6.448 -5.440 4.624 1.00 0.00 C ATOM 1649 O ILE B 44 7.025 -6.280 3.932 1.00 0.00 O ATOM 1650 CB ILE B 44 5.992 -3.180 3.709 1.00 0.00 C ATOM 1651 CG1 ILE B 44 4.954 -2.221 3.139 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.136 -3.345 2.718 1.00 0.00 C ATOM 1653 CD1 ILE B 44 5.528 -0.860 2.794 1.00 0.00 C ATOM 0 H ILE B 44 4.109 -3.530 5.377 1.00 0.00 H new ATOM 0 HA ILE B 44 4.959 -4.973 3.116 1.00 0.00 H new ATOM 0 HB ILE B 44 6.377 -2.760 4.638 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.514 -2.661 2.244 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.148 -2.096 3.862 1.00 0.00 H new ATOM 0 HG21 ILE B 44 7.569 -2.369 2.496 1.00 0.00 H new ATOM 0 HG22 ILE B 44 7.900 -3.991 3.149 1.00 0.00 H new ATOM 0 HG23 ILE B 44 6.759 -3.792 1.798 1.00 0.00 H new ATOM 0 HD11 ILE B 44 4.739 -0.223 2.393 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.943 -0.402 3.692 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.315 -0.975 2.049 1.00 0.00 H new ATOM 1665 N LYS B 45 6.717 -5.243 5.908 1.00 0.00 N ATOM 1666 CA LYS B 45 7.696 -6.054 6.610 1.00 0.00 C ATOM 1667 C LYS B 45 7.338 -7.531 6.483 1.00 0.00 C ATOM 1668 O LYS B 45 8.174 -8.361 6.124 1.00 0.00 O ATOM 1669 CB LYS B 45 7.759 -5.673 8.091 1.00 0.00 C ATOM 1670 CG LYS B 45 8.795 -6.469 8.876 1.00 0.00 C ATOM 1671 CD LYS B 45 8.531 -6.430 10.373 1.00 0.00 C ATOM 1672 CE LYS B 45 8.615 -5.018 10.935 1.00 0.00 C ATOM 1673 NZ LYS B 45 8.384 -5.000 12.402 1.00 0.00 N ATOM 0 H LYS B 45 6.270 -4.528 6.482 1.00 0.00 H new ATOM 0 HA LYS B 45 8.672 -5.873 6.159 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.987 -4.610 8.176 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.778 -5.825 8.540 1.00 0.00 H new ATOM 0 HG2 LYS B 45 8.791 -7.504 8.534 1.00 0.00 H new ATOM 0 HG3 LYS B 45 9.789 -6.070 8.673 1.00 0.00 H new ATOM 0 HD2 LYS B 45 7.543 -6.842 10.577 1.00 0.00 H new ATOM 0 HD3 LYS B 45 9.253 -7.066 10.884 1.00 0.00 H new ATOM 0 HE2 LYS B 45 9.596 -4.596 10.715 1.00 0.00 H new ATOM 0 HE3 LYS B 45 7.877 -4.385 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 8.448 -4.023 12.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 7.438 -5.380 12.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 9.103 -5.585 12.874 1.00 0.00 H new ATOM 1687 N GLU B 46 6.075 -7.838 6.756 1.00 0.00 N ATOM 1688 CA GLU B 46 5.590 -9.206 6.715 1.00 0.00 C ATOM 1689 C GLU B 46 5.502 -9.687 5.271 1.00 0.00 C ATOM 1690 O GLU B 46 5.641 -10.877 4.983 1.00 0.00 O ATOM 1691 CB GLU B 46 4.226 -9.285 7.402 1.00 0.00 C ATOM 1692 CG GLU B 46 3.704 -10.695 7.579 1.00 0.00 C ATOM 1693 CD GLU B 46 2.422 -10.723 8.372 1.00 0.00 C ATOM 1694 OE1 GLU B 46 1.342 -10.596 7.767 1.00 0.00 O ATOM 1695 OE2 GLU B 46 2.487 -10.866 9.613 1.00 0.00 O ATOM 0 H GLU B 46 5.366 -7.150 7.010 1.00 0.00 H new ATOM 0 HA GLU B 46 6.286 -9.856 7.246 1.00 0.00 H new ATOM 0 HB2 GLU B 46 4.296 -8.809 8.380 1.00 0.00 H new ATOM 0 HB3 GLU B 46 3.504 -8.712 6.820 1.00 0.00 H new ATOM 0 HG2 GLU B 46 3.536 -11.146 6.601 1.00 0.00 H new ATOM 0 HG3 GLU B 46 4.457 -11.300 8.084 1.00 0.00 H new ATOM 1702 N TYR B 47 5.303 -8.742 4.364 1.00 0.00 N ATOM 1703 CA TYR B 47 5.243 -9.033 2.943 1.00 0.00 C ATOM 1704 C TYR B 47 6.578 -9.610 2.487 1.00 0.00 C ATOM 1705 O TYR B 47 6.628 -10.613 1.777 1.00 0.00 O ATOM 1706 CB TYR B 47 4.914 -7.751 2.166 1.00 0.00 C ATOM 1707 CG TYR B 47 4.742 -7.932 0.670 1.00 0.00 C ATOM 1708 CD1 TYR B 47 5.822 -7.813 -0.197 1.00 0.00 C ATOM 1709 CD2 TYR B 47 3.495 -8.209 0.126 1.00 0.00 C ATOM 1710 CE1 TYR B 47 5.662 -7.968 -1.562 1.00 0.00 C ATOM 1711 CE2 TYR B 47 3.327 -8.367 -1.237 1.00 0.00 C ATOM 1712 CZ TYR B 47 4.412 -8.245 -2.075 1.00 0.00 C ATOM 1713 OH TYR B 47 4.246 -8.402 -3.435 1.00 0.00 O ATOM 0 H TYR B 47 5.179 -7.756 4.593 1.00 0.00 H new ATOM 0 HA TYR B 47 4.459 -9.766 2.750 1.00 0.00 H new ATOM 0 HB2 TYR B 47 3.997 -7.323 2.572 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.709 -7.025 2.340 1.00 0.00 H new ATOM 0 HD1 TYR B 47 6.802 -7.596 0.202 1.00 0.00 H new ATOM 0 HD2 TYR B 47 2.640 -8.303 0.780 1.00 0.00 H new ATOM 0 HE1 TYR B 47 6.511 -7.873 -2.223 1.00 0.00 H new ATOM 0 HE2 TYR B 47 2.350 -8.585 -1.642 1.00 0.00 H new ATOM 0 HH TYR B 47 3.305 -8.594 -3.630 1.00 0.00 H new ATOM 1723 N LEU B 48 7.653 -8.968 2.918 1.00 0.00 N ATOM 1724 CA LEU B 48 9.001 -9.428 2.619 1.00 0.00 C ATOM 1725 C LEU B 48 9.309 -10.722 3.367 1.00 0.00 C ATOM 1726 O LEU B 48 9.732 -11.719 2.771 1.00 0.00 O ATOM 1727 CB LEU B 48 10.029 -8.355 3.000 1.00 0.00 C ATOM 1728 CG LEU B 48 9.735 -6.946 2.475 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.820 -5.976 2.916 1.00 0.00 C ATOM 1730 CD2 LEU B 48 9.605 -6.949 0.959 1.00 0.00 C ATOM 0 H LEU B 48 7.617 -8.119 3.482 1.00 0.00 H new ATOM 0 HA LEU B 48 9.063 -9.618 1.547 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.098 -8.312 4.087 1.00 0.00 H new ATOM 0 HB3 LEU B 48 11.006 -8.665 2.631 1.00 0.00 H new ATOM 0 HG LEU B 48 8.785 -6.617 2.896 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.595 -4.980 2.534 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.861 -5.946 4.005 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.783 -6.305 2.526 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.396 -5.938 0.610 1.00 0.00 H new ATOM 0 HD22 LEU B 48 10.536 -7.302 0.515 1.00 0.00 H new ATOM 0 HD23 LEU B 48 8.790 -7.610 0.665 1.00 0.00 H new ATOM 1742 N ASP B 49 9.063 -10.692 4.672 1.00 0.00 N ATOM 1743 CA ASP B 49 9.419 -11.785 5.575 1.00 0.00 C ATOM 1744 C ASP B 49 8.747 -13.098 5.191 1.00 0.00 C ATOM 1745 O ASP B 49 9.360 -14.161 5.274 1.00 0.00 O ATOM 1746 CB ASP B 49 9.038 -11.412 7.008 1.00 0.00 C ATOM 1747 CG ASP B 49 9.585 -12.385 8.035 1.00 0.00 C ATOM 1748 OD1 ASP B 49 10.775 -12.264 8.394 1.00 0.00 O ATOM 1749 OD2 ASP B 49 8.828 -13.265 8.496 1.00 0.00 O ATOM 0 H ASP B 49 8.609 -9.906 5.137 1.00 0.00 H new ATOM 0 HA ASP B 49 10.496 -11.935 5.497 1.00 0.00 H new ATOM 0 HB2 ASP B 49 9.409 -10.411 7.229 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.952 -11.375 7.092 1.00 0.00 H new ATOM 1754 N ASN B 50 7.494 -13.030 4.752 1.00 0.00 N ATOM 1755 CA ASN B 50 6.739 -14.244 4.467 1.00 0.00 C ATOM 1756 C ASN B 50 7.094 -14.807 3.092 1.00 0.00 C ATOM 1757 O ASN B 50 6.874 -15.987 2.823 1.00 0.00 O ATOM 1758 CB ASN B 50 5.223 -13.999 4.587 1.00 0.00 C ATOM 1759 CG ASN B 50 4.541 -13.671 3.271 1.00 0.00 C ATOM 1760 OD1 ASN B 50 4.122 -14.564 2.534 1.00 0.00 O ATOM 1761 ND2 ASN B 50 4.405 -12.390 2.980 1.00 0.00 N ATOM 0 H ASN B 50 6.986 -12.161 4.588 1.00 0.00 H new ATOM 0 HA ASN B 50 7.018 -14.987 5.214 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.755 -14.886 5.015 1.00 0.00 H new ATOM 0 HB3 ASN B 50 5.053 -13.180 5.286 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.938 -12.110 2.117 1.00 0.00 H new ATOM 0 HD22 ASN B 50 4.766 -11.681 3.618 1.00 0.00 H new ATOM 1768 N HIS B 51 7.672 -13.974 2.233 1.00 0.00 N ATOM 1769 CA HIS B 51 8.037 -14.411 0.887 1.00 0.00 C ATOM 1770 C HIS B 51 9.414 -15.052 0.896 1.00 0.00 C ATOM 1771 O HIS B 51 9.609 -16.131 0.336 1.00 0.00 O ATOM 1772 CB HIS B 51 8.009 -13.246 -0.105 1.00 0.00 C ATOM 1773 CG HIS B 51 6.627 -12.799 -0.469 1.00 0.00 C ATOM 1774 ND1 HIS B 51 6.378 -11.723 -1.289 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.416 -13.289 -0.115 1.00 0.00 C ATOM 1776 CE1 HIS B 51 5.075 -11.571 -1.422 1.00 0.00 C ATOM 1777 NE2 HIS B 51 4.469 -12.507 -0.721 1.00 0.00 N ATOM 0 H HIS B 51 7.897 -13.001 2.440 1.00 0.00 H new ATOM 0 HA HIS B 51 7.300 -15.147 0.565 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.553 -12.404 0.322 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.537 -13.540 -1.012 1.00 0.00 H new ATOM 0 HD2 HIS B 51 5.231 -14.138 0.526 1.00 0.00 H new ATOM 0 HE1 HIS B 51 4.586 -10.807 -2.008 1.00 0.00 H new ATOM 0 HE2 HIS B 51 3.459 -12.629 -0.642 1.00 0.00 H new ATOM 1786 N ASP B 52 10.367 -14.389 1.532 1.00 0.00 N ATOM 1787 CA ASP B 52 11.690 -14.963 1.708 1.00 0.00 C ATOM 1788 C ASP B 52 11.812 -15.487 3.128 1.00 0.00 C ATOM 1789 O ASP B 52 12.074 -14.731 4.062 1.00 0.00 O ATOM 1790 CB ASP B 52 12.787 -13.937 1.420 1.00 0.00 C ATOM 1791 CG ASP B 52 14.161 -14.574 1.343 1.00 0.00 C ATOM 1792 OD1 ASP B 52 14.243 -15.820 1.264 1.00 0.00 O ATOM 1793 OD2 ASP B 52 15.163 -13.828 1.330 1.00 0.00 O ATOM 0 H ASP B 52 10.250 -13.458 1.933 1.00 0.00 H new ATOM 0 HA ASP B 52 11.818 -15.780 0.998 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.570 -13.430 0.480 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.784 -13.176 2.200 1.00 0.00 H new ATOM 1798 N LYS B 53 11.603 -16.785 3.281 1.00 0.00 N ATOM 1799 CA LYS B 53 11.534 -17.408 4.592 1.00 0.00 C ATOM 1800 C LYS B 53 12.927 -17.731 5.121 1.00 0.00 C ATOM 1801 O LYS B 53 13.086 -18.157 6.266 1.00 0.00 O ATOM 1802 CB LYS B 53 10.690 -18.680 4.515 1.00 0.00 C ATOM 1803 CG LYS B 53 9.255 -18.442 4.060 1.00 0.00 C ATOM 1804 CD LYS B 53 8.515 -19.756 3.844 1.00 0.00 C ATOM 1805 CE LYS B 53 7.065 -19.539 3.431 1.00 0.00 C ATOM 1806 NZ LYS B 53 6.945 -18.713 2.200 1.00 0.00 N ATOM 0 H LYS B 53 11.477 -17.433 2.504 1.00 0.00 H new ATOM 0 HA LYS B 53 11.067 -16.706 5.283 1.00 0.00 H new ATOM 0 HB2 LYS B 53 11.167 -19.380 3.829 1.00 0.00 H new ATOM 0 HB3 LYS B 53 10.676 -19.155 5.496 1.00 0.00 H new ATOM 0 HG2 LYS B 53 8.730 -17.845 4.806 1.00 0.00 H new ATOM 0 HG3 LYS B 53 9.256 -17.867 3.134 1.00 0.00 H new ATOM 0 HD2 LYS B 53 9.026 -20.337 3.077 1.00 0.00 H new ATOM 0 HD3 LYS B 53 8.546 -20.343 4.762 1.00 0.00 H new ATOM 0 HE2 LYS B 53 6.589 -20.505 3.265 1.00 0.00 H new ATOM 0 HE3 LYS B 53 6.527 -19.054 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 5.999 -18.840 1.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 7.086 -17.711 2.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 7.666 -19.009 1.511 1.00 0.00 H new ATOM 1820 N GLN B 54 13.935 -17.534 4.285 1.00 0.00 N ATOM 1821 CA GLN B 54 15.310 -17.754 4.698 1.00 0.00 C ATOM 1822 C GLN B 54 15.877 -16.467 5.277 1.00 0.00 C ATOM 1823 O GLN B 54 16.110 -15.500 4.551 1.00 0.00 O ATOM 1824 CB GLN B 54 16.166 -18.224 3.525 1.00 0.00 C ATOM 1825 CG GLN B 54 15.591 -19.422 2.786 1.00 0.00 C ATOM 1826 CD GLN B 54 15.317 -20.605 3.693 1.00 0.00 C ATOM 1827 OE1 GLN B 54 14.224 -20.738 4.245 1.00 0.00 O ATOM 1828 NE2 GLN B 54 16.297 -21.475 3.848 1.00 0.00 N ATOM 0 H GLN B 54 13.826 -17.223 3.320 1.00 0.00 H new ATOM 0 HA GLN B 54 15.325 -18.535 5.459 1.00 0.00 H new ATOM 0 HB2 GLN B 54 16.287 -17.399 2.822 1.00 0.00 H new ATOM 0 HB3 GLN B 54 17.160 -18.478 3.892 1.00 0.00 H new ATOM 0 HG2 GLN B 54 14.664 -19.127 2.294 1.00 0.00 H new ATOM 0 HG3 GLN B 54 16.285 -19.726 2.003 1.00 0.00 H new ATOM 0 HE21 GLN B 54 17.188 -21.329 3.373 1.00 0.00 H new ATOM 0 HE22 GLN B 54 16.163 -22.293 4.442 1.00 0.00 H new ATOM 1837 N LYS B 55 16.081 -16.449 6.583 1.00 0.00 N ATOM 1838 CA LYS B 55 16.508 -15.235 7.268 1.00 0.00 C ATOM 1839 C LYS B 55 17.928 -15.406 7.791 1.00 0.00 C ATOM 1840 O LYS B 55 18.822 -14.610 7.500 1.00 0.00 O ATOM 1841 CB LYS B 55 15.574 -14.914 8.445 1.00 0.00 C ATOM 1842 CG LYS B 55 14.114 -15.300 8.222 1.00 0.00 C ATOM 1843 CD LYS B 55 13.517 -14.634 6.992 1.00 0.00 C ATOM 1844 CE LYS B 55 13.422 -13.129 7.146 1.00 0.00 C ATOM 1845 NZ LYS B 55 12.869 -12.499 5.923 1.00 0.00 N ATOM 0 H LYS B 55 15.959 -17.258 7.192 1.00 0.00 H new ATOM 0 HA LYS B 55 16.473 -14.413 6.553 1.00 0.00 H new ATOM 0 HB2 LYS B 55 15.940 -15.429 9.333 1.00 0.00 H new ATOM 0 HB3 LYS B 55 15.626 -13.845 8.652 1.00 0.00 H new ATOM 0 HG2 LYS B 55 14.040 -16.382 8.117 1.00 0.00 H new ATOM 0 HG3 LYS B 55 13.530 -15.024 9.100 1.00 0.00 H new ATOM 0 HD2 LYS B 55 14.127 -14.871 6.120 1.00 0.00 H new ATOM 0 HD3 LYS B 55 12.524 -15.042 6.806 1.00 0.00 H new ATOM 0 HE2 LYS B 55 12.790 -12.887 8.000 1.00 0.00 H new ATOM 0 HE3 LYS B 55 14.410 -12.719 7.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 12.352 -11.634 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 13.646 -12.257 5.275 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 12.221 -13.163 5.453 1.00 0.00 H new ATOM 1859 N LYS B 56 18.107 -16.445 8.584 1.00 0.00 N ATOM 1860 CA LYS B 56 19.397 -16.785 9.151 1.00 0.00 C ATOM 1861 C LYS B 56 19.488 -18.293 9.296 1.00 0.00 C ATOM 1862 O LYS B 56 20.386 -18.903 8.680 1.00 0.00 O ATOM 1863 CB LYS B 56 19.589 -16.101 10.507 1.00 0.00 C ATOM 1864 CG LYS B 56 20.926 -16.404 11.166 1.00 0.00 C ATOM 1865 CD LYS B 56 21.110 -15.613 12.452 1.00 0.00 C ATOM 1866 CE LYS B 56 19.978 -15.867 13.432 1.00 0.00 C ATOM 1867 NZ LYS B 56 20.162 -15.123 14.703 1.00 0.00 N ATOM 1868 OXT LYS B 56 18.623 -18.864 9.993 1.00 0.00 O ATOM 0 H LYS B 56 17.356 -17.081 8.854 1.00 0.00 H new ATOM 0 HA LYS B 56 20.188 -16.434 8.488 1.00 0.00 H new ATOM 0 HB2 LYS B 56 19.496 -15.023 10.376 1.00 0.00 H new ATOM 0 HB3 LYS B 56 18.787 -16.411 11.176 1.00 0.00 H new ATOM 0 HG2 LYS B 56 20.992 -17.470 11.382 1.00 0.00 H new ATOM 0 HG3 LYS B 56 21.735 -16.168 10.474 1.00 0.00 H new ATOM 0 HD2 LYS B 56 22.059 -15.884 12.914 1.00 0.00 H new ATOM 0 HD3 LYS B 56 21.160 -14.549 12.221 1.00 0.00 H new ATOM 0 HE2 LYS B 56 19.032 -15.576 12.976 1.00 0.00 H new ATOM 0 HE3 LYS B 56 19.915 -16.934 13.643 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 19.367 -15.326 15.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 21.052 -15.419 15.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 20.196 -14.102 14.506 1.00 0.00 H new TER 1882 LYS B 56