USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 922 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 41 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 43 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-6!) USER MOD Set 2.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 43 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-5.7!) USER MOD Set 3.1: A 35 ASN : amide:sc= -3.75 K(o=-3.8,f=-9.6!) USER MOD Set 3.2: B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: B 35 ASN : amide:sc= -3.73 K(o=-3.7,f=-9.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -87:sc= -0.325! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= -1.28 (180deg=-2.6!) USER MOD Single : A 28 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1) USER MOD Single : A 29 GLN : amide:sc= -0.946 X(o=-0.95,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.286 K(o=-0.29,f=1.2) USER MOD Single : A 52 GLN : amide:sc= -0.299 K(o=-0.3,f=-0.99) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : B 11 THR OG1 : rot 180:sc= -0.136 USER MOD Single : B 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot -85:sc= -0.495! USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 LYS NZ :NH3+ 144:sc= -1.31 (180deg=-2.71!) USER MOD Single : B 28 ASN : amide:sc= -0.0124 K(o=-0.012,f=-1) USER MOD Single : B 29 GLN : amide:sc= -0.95 X(o=-0.95,f=-1.1) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 TYR OH : rot 30:sc= 0 USER MOD Single : B 49 GLN : amide:sc= -0.293 K(o=-0.29,f=1.1) USER MOD Single : B 52 GLN : amide:sc= -0.3 K(o=-0.3,f=-0.95) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.316 -10.742 -5.724 1.00 0.00 N ATOM 2 CA MET A 1 -2.055 -10.458 -4.289 1.00 0.00 C ATOM 3 C MET A 1 -0.582 -10.651 -3.947 1.00 0.00 C ATOM 4 O MET A 1 0.010 -11.681 -4.267 1.00 0.00 O ATOM 5 CB MET A 1 -2.920 -11.393 -3.441 1.00 0.00 C ATOM 6 CG MET A 1 -3.264 -10.829 -2.073 1.00 0.00 C ATOM 7 SD MET A 1 -3.608 -12.116 -0.857 1.00 0.00 S ATOM 8 CE MET A 1 -4.615 -11.213 0.317 1.00 0.00 C ATOM 0 H1 MET A 1 -3.326 -10.602 -5.927 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.752 -10.097 -6.314 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.053 -11.725 -5.937 1.00 0.00 H new ATOM 0 HA MET A 1 -2.307 -9.418 -4.079 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.843 -11.608 -3.979 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.398 -12.341 -3.313 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.437 -10.213 -1.720 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.133 -10.177 -2.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.908 -11.876 1.131 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.044 -10.376 0.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.507 -10.837 -0.183 1.00 0.00 H new ATOM 20 N LEU A 2 0.003 -9.654 -3.291 1.00 0.00 N ATOM 21 CA LEU A 2 1.407 -9.717 -2.901 1.00 0.00 C ATOM 22 C LEU A 2 1.551 -9.615 -1.386 1.00 0.00 C ATOM 23 O LEU A 2 1.217 -8.591 -0.791 1.00 0.00 O ATOM 24 CB LEU A 2 2.195 -8.593 -3.579 1.00 0.00 C ATOM 25 CG LEU A 2 2.236 -8.660 -5.107 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.856 -8.396 -5.691 1.00 0.00 C ATOM 27 CD2 LEU A 2 3.250 -7.667 -5.656 1.00 0.00 C ATOM 0 H LEU A 2 -0.473 -8.794 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 2 1.809 -10.678 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.762 -7.637 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.218 -8.609 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 2 2.544 -9.663 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.905 -8.448 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.156 -9.146 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.517 -7.405 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.266 -7.728 -6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.972 -6.658 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.239 -7.903 -5.264 1.00 0.00 H new ATOM 39 N ILE A 3 2.057 -10.676 -0.764 1.00 0.00 N ATOM 40 CA ILE A 3 2.247 -10.690 0.682 1.00 0.00 C ATOM 41 C ILE A 3 3.659 -10.236 1.042 1.00 0.00 C ATOM 42 O ILE A 3 4.628 -10.974 0.860 1.00 0.00 O ATOM 43 CB ILE A 3 1.978 -12.093 1.277 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.476 -12.400 1.254 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.522 -12.200 2.698 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.327 -11.619 2.278 1.00 0.00 C ATOM 0 H ILE A 3 2.342 -11.534 -1.237 1.00 0.00 H new ATOM 0 HA ILE A 3 1.527 -9.994 1.112 1.00 0.00 H new ATOM 0 HB ILE A 3 2.497 -12.828 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.086 -12.184 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.330 -13.466 1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.319 -13.196 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.598 -12.025 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.038 -11.455 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.380 -11.891 2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.035 -11.853 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.213 -10.551 2.092 1.00 0.00 H new ATOM 58 N LEU A 4 3.762 -9.014 1.550 1.00 0.00 N ATOM 59 CA LEU A 4 5.047 -8.444 1.936 1.00 0.00 C ATOM 60 C LEU A 4 5.085 -8.169 3.434 1.00 0.00 C ATOM 61 O LEU A 4 4.048 -8.002 4.068 1.00 0.00 O ATOM 62 CB LEU A 4 5.309 -7.152 1.160 1.00 0.00 C ATOM 63 CG LEU A 4 5.404 -7.317 -0.357 1.00 0.00 C ATOM 64 CD1 LEU A 4 6.438 -8.372 -0.716 1.00 0.00 C ATOM 65 CD2 LEU A 4 4.046 -7.679 -0.939 1.00 0.00 C ATOM 0 H LEU A 4 2.966 -8.395 1.705 1.00 0.00 H new ATOM 0 HA LEU A 4 5.827 -9.166 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.512 -6.443 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.238 -6.711 1.521 1.00 0.00 H new ATOM 0 HG LEU A 4 5.721 -6.367 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.491 -8.475 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.413 -8.072 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.152 -9.327 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.132 -7.793 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.701 -8.616 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.331 -6.888 -0.713 1.00 0.00 H new ATOM 77 N THR A 5 6.287 -8.111 3.993 1.00 0.00 N ATOM 78 CA THR A 5 6.446 -7.841 5.417 1.00 0.00 C ATOM 79 C THR A 5 6.735 -6.369 5.654 1.00 0.00 C ATOM 80 O THR A 5 7.575 -5.772 4.980 1.00 0.00 O ATOM 81 CB THR A 5 7.567 -8.685 6.016 1.00 0.00 C ATOM 82 OG1 THR A 5 8.077 -9.604 5.065 1.00 0.00 O ATOM 83 CG2 THR A 5 7.120 -9.470 7.227 1.00 0.00 C ATOM 0 H THR A 5 7.162 -8.246 3.486 1.00 0.00 H new ATOM 0 HA THR A 5 5.510 -8.106 5.908 1.00 0.00 H new ATOM 0 HB THR A 5 8.339 -7.977 6.318 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.795 -10.132 5.473 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.957 -10.052 7.612 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.771 -8.783 7.998 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.309 -10.142 6.946 1.00 0.00 H new ATOM 91 N ARG A 6 6.037 -5.790 6.618 1.00 0.00 N ATOM 92 CA ARG A 6 6.220 -4.389 6.947 1.00 0.00 C ATOM 93 C ARG A 6 5.902 -4.131 8.413 1.00 0.00 C ATOM 94 O ARG A 6 5.044 -4.794 9.002 1.00 0.00 O ATOM 95 CB ARG A 6 5.335 -3.514 6.057 1.00 0.00 C ATOM 96 CG ARG A 6 5.786 -3.465 4.606 1.00 0.00 C ATOM 97 CD ARG A 6 5.017 -4.458 3.748 1.00 0.00 C ATOM 98 NE ARG A 6 4.837 -3.976 2.380 1.00 0.00 N ATOM 99 CZ ARG A 6 3.886 -3.120 2.012 1.00 0.00 C ATOM 100 NH1 ARG A 6 3.030 -2.643 2.908 1.00 0.00 N ATOM 101 NH2 ARG A 6 3.791 -2.738 0.746 1.00 0.00 N ATOM 0 H ARG A 6 5.339 -6.270 7.185 1.00 0.00 H new ATOM 0 HA ARG A 6 7.265 -4.132 6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.312 -3.888 6.098 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.321 -2.501 6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.644 -2.458 4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.853 -3.682 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.549 -5.409 3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.042 -4.646 4.197 1.00 0.00 H new ATOM 0 HE ARG A 6 5.479 -4.316 1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.099 -2.932 3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.303 -1.987 2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.447 -3.100 0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.062 -2.082 0.464 1.00 0.00 H new ATOM 115 N ARG A 7 6.603 -3.164 8.991 1.00 0.00 N ATOM 116 CA ARG A 7 6.405 -2.797 10.392 1.00 0.00 C ATOM 117 C ARG A 7 7.374 -1.699 10.845 1.00 0.00 C ATOM 118 O ARG A 7 7.263 -1.195 11.963 1.00 0.00 O ATOM 119 CB ARG A 7 6.553 -4.022 11.296 1.00 0.00 C ATOM 120 CG ARG A 7 6.123 -3.767 12.733 1.00 0.00 C ATOM 121 CD ARG A 7 7.255 -4.030 13.713 1.00 0.00 C ATOM 122 NE ARG A 7 6.869 -3.726 15.089 1.00 0.00 N ATOM 123 CZ ARG A 7 7.696 -3.817 16.128 1.00 0.00 C ATOM 124 NH1 ARG A 7 8.954 -4.203 15.952 1.00 0.00 N ATOM 125 NH2 ARG A 7 7.265 -3.522 17.347 1.00 0.00 N ATOM 0 H ARG A 7 7.317 -2.616 8.511 1.00 0.00 H new ATOM 0 HA ARG A 7 5.392 -2.404 10.476 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.960 -4.840 10.887 1.00 0.00 H new ATOM 0 HB3 ARG A 7 7.593 -4.347 11.288 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.786 -2.735 12.835 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.274 -4.405 12.978 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.559 -5.074 13.644 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.120 -3.427 13.438 1.00 0.00 H new ATOM 0 HE ARG A 7 5.910 -3.427 15.264 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.291 -4.432 15.017 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.583 -4.271 16.752 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.299 -3.225 17.489 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.899 -3.592 18.143 1.00 0.00 H new ATOM 139 N VAL A 8 8.319 -1.326 9.983 1.00 0.00 N ATOM 140 CA VAL A 8 9.286 -0.288 10.317 1.00 0.00 C ATOM 141 C VAL A 8 9.123 0.925 9.408 1.00 0.00 C ATOM 142 O VAL A 8 8.905 2.041 9.880 1.00 0.00 O ATOM 143 CB VAL A 8 10.731 -0.810 10.210 1.00 0.00 C ATOM 144 CG1 VAL A 8 11.715 0.222 10.739 1.00 0.00 C ATOM 145 CG2 VAL A 8 10.876 -2.128 10.956 1.00 0.00 C ATOM 0 H VAL A 8 8.433 -1.727 9.052 1.00 0.00 H new ATOM 0 HA VAL A 8 9.093 0.006 11.348 1.00 0.00 H new ATOM 0 HB VAL A 8 10.958 -0.985 9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.730 -0.166 10.655 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.628 1.140 10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.493 0.433 11.785 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.903 -2.483 10.871 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.629 -1.980 12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.200 -2.866 10.525 1.00 0.00 H new ATOM 155 N GLY A 9 9.228 0.700 8.102 1.00 0.00 N ATOM 156 CA GLY A 9 9.087 1.786 7.149 1.00 0.00 C ATOM 157 C GLY A 9 9.276 1.332 5.714 1.00 0.00 C ATOM 158 O GLY A 9 10.386 1.374 5.184 1.00 0.00 O ATOM 0 H GLY A 9 9.408 -0.214 7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.099 2.233 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.816 2.563 7.379 1.00 0.00 H new ATOM 162 N GLU A 10 8.188 0.898 5.083 1.00 0.00 N ATOM 163 CA GLU A 10 8.240 0.438 3.700 1.00 0.00 C ATOM 164 C GLU A 10 7.827 1.552 2.743 1.00 0.00 C ATOM 165 O GLU A 10 8.658 2.098 2.017 1.00 0.00 O ATOM 166 CB GLU A 10 7.333 -0.781 3.510 1.00 0.00 C ATOM 167 CG GLU A 10 7.958 -1.877 2.662 1.00 0.00 C ATOM 168 CD GLU A 10 7.791 -1.629 1.176 1.00 0.00 C ATOM 169 OE1 GLU A 10 6.642 -1.688 0.689 1.00 0.00 O ATOM 170 OE2 GLU A 10 8.809 -1.377 0.498 1.00 0.00 O ATOM 0 H GLU A 10 7.261 0.856 5.507 1.00 0.00 H new ATOM 0 HA GLU A 10 9.268 0.153 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.078 -1.190 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.400 -0.461 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.020 -1.953 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.505 -2.834 2.920 1.00 0.00 H new ATOM 177 N THR A 11 6.539 1.891 2.753 1.00 0.00 N ATOM 178 CA THR A 11 6.010 2.947 1.892 1.00 0.00 C ATOM 179 C THR A 11 5.872 2.475 0.447 1.00 0.00 C ATOM 180 O THR A 11 6.856 2.392 -0.289 1.00 0.00 O ATOM 181 CB THR A 11 6.902 4.190 1.950 1.00 0.00 C ATOM 182 OG1 THR A 11 7.368 4.413 3.269 1.00 0.00 O ATOM 183 CG2 THR A 11 6.202 5.451 1.491 1.00 0.00 C ATOM 0 H THR A 11 5.841 1.448 3.350 1.00 0.00 H new ATOM 0 HA THR A 11 5.018 3.202 2.263 1.00 0.00 H new ATOM 0 HB THR A 11 7.728 3.984 1.269 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.937 5.210 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.890 6.294 1.557 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.875 5.330 0.458 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.336 5.639 2.126 1.00 0.00 H new ATOM 191 N LEU A 12 4.638 2.183 0.045 1.00 0.00 N ATOM 192 CA LEU A 12 4.355 1.738 -1.315 1.00 0.00 C ATOM 193 C LEU A 12 3.622 2.835 -2.080 1.00 0.00 C ATOM 194 O LEU A 12 2.952 3.674 -1.477 1.00 0.00 O ATOM 195 CB LEU A 12 3.527 0.444 -1.302 1.00 0.00 C ATOM 196 CG LEU A 12 2.009 0.624 -1.167 1.00 0.00 C ATOM 197 CD1 LEU A 12 1.273 -0.568 -1.760 1.00 0.00 C ATOM 198 CD2 LEU A 12 1.625 0.820 0.290 1.00 0.00 C ATOM 0 H LEU A 12 3.816 2.247 0.645 1.00 0.00 H new ATOM 0 HA LEU A 12 5.300 1.530 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.729 -0.103 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.875 -0.179 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 12 1.717 1.515 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.198 -0.421 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.524 -0.662 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.568 -1.476 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.545 0.946 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.931 -0.052 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.123 1.707 0.681 1.00 0.00 H new ATOM 210 N MET A 13 3.745 2.834 -3.402 1.00 0.00 N ATOM 211 CA MET A 13 3.081 3.842 -4.214 1.00 0.00 C ATOM 212 C MET A 13 2.267 3.204 -5.326 1.00 0.00 C ATOM 213 O MET A 13 2.804 2.806 -6.358 1.00 0.00 O ATOM 214 CB MET A 13 4.106 4.812 -4.804 1.00 0.00 C ATOM 215 CG MET A 13 3.484 5.933 -5.620 1.00 0.00 C ATOM 216 SD MET A 13 4.657 6.700 -6.754 1.00 0.00 S ATOM 217 CE MET A 13 4.422 5.692 -8.215 1.00 0.00 C ATOM 0 H MET A 13 4.293 2.153 -3.929 1.00 0.00 H new ATOM 0 HA MET A 13 2.399 4.395 -3.568 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.692 5.246 -3.993 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.799 4.256 -5.435 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.641 5.539 -6.187 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.088 6.692 -4.945 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.081 6.043 -9.009 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.656 4.653 -7.982 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.386 5.765 -8.545 1.00 0.00 H new ATOM 227 N ILE A 14 0.963 3.118 -5.103 1.00 0.00 N ATOM 228 CA ILE A 14 0.054 2.540 -6.073 1.00 0.00 C ATOM 229 C ILE A 14 -0.878 3.612 -6.635 1.00 0.00 C ATOM 230 O ILE A 14 -1.588 4.284 -5.887 1.00 0.00 O ATOM 231 CB ILE A 14 -0.772 1.400 -5.439 1.00 0.00 C ATOM 232 CG1 ILE A 14 -1.878 0.923 -6.388 1.00 0.00 C ATOM 233 CG2 ILE A 14 -1.362 1.847 -4.110 1.00 0.00 C ATOM 234 CD1 ILE A 14 -1.387 0.595 -7.780 1.00 0.00 C ATOM 0 H ILE A 14 0.511 3.446 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 14 0.647 2.125 -6.888 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.103 0.559 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.353 0.039 -5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.644 1.695 -6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.941 1.032 -3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.557 2.122 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.011 2.708 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.226 0.265 -8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.938 1.483 -8.226 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.643 -0.199 -7.725 1.00 0.00 H new ATOM 246 N GLY A 15 -0.867 3.770 -7.955 1.00 0.00 N ATOM 247 CA GLY A 15 -1.708 4.767 -8.594 1.00 0.00 C ATOM 248 C GLY A 15 -0.945 5.577 -9.627 1.00 0.00 C ATOM 249 O GLY A 15 -0.657 5.087 -10.720 1.00 0.00 O ATOM 0 H GLY A 15 -0.290 3.224 -8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.554 4.274 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.115 5.437 -7.837 1.00 0.00 H new ATOM 253 N ASP A 16 -0.612 6.817 -9.279 1.00 0.00 N ATOM 254 CA ASP A 16 0.128 7.692 -10.186 1.00 0.00 C ATOM 255 C ASP A 16 0.826 8.832 -9.437 1.00 0.00 C ATOM 256 O ASP A 16 1.314 9.775 -10.060 1.00 0.00 O ATOM 257 CB ASP A 16 -0.814 8.270 -11.244 1.00 0.00 C ATOM 258 CG ASP A 16 -0.161 8.370 -12.608 1.00 0.00 C ATOM 259 OD1 ASP A 16 0.441 7.370 -13.053 1.00 0.00 O ATOM 260 OD2 ASP A 16 -0.251 9.448 -13.232 1.00 0.00 O ATOM 0 H ASP A 16 -0.841 7.238 -8.379 1.00 0.00 H new ATOM 0 HA ASP A 16 0.897 7.088 -10.668 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.703 7.644 -11.315 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.145 9.260 -10.930 1.00 0.00 H new ATOM 265 N GLU A 17 0.872 8.737 -8.104 1.00 0.00 N ATOM 266 CA GLU A 17 1.509 9.753 -7.259 1.00 0.00 C ATOM 267 C GLU A 17 0.941 9.684 -5.843 1.00 0.00 C ATOM 268 O GLU A 17 0.327 10.635 -5.360 1.00 0.00 O ATOM 269 CB GLU A 17 1.303 11.163 -7.832 1.00 0.00 C ATOM 270 CG GLU A 17 2.521 11.708 -8.559 1.00 0.00 C ATOM 271 CD GLU A 17 3.277 12.736 -7.739 1.00 0.00 C ATOM 272 OE1 GLU A 17 4.183 12.337 -6.977 1.00 0.00 O ATOM 273 OE2 GLU A 17 2.963 13.938 -7.859 1.00 0.00 O ATOM 0 H GLU A 17 0.471 7.958 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 17 2.579 9.548 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.457 11.147 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.041 11.841 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.190 10.884 -8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.206 12.159 -9.500 1.00 0.00 H new ATOM 280 N VAL A 18 1.133 8.544 -5.188 1.00 0.00 N ATOM 281 CA VAL A 18 0.626 8.341 -3.847 1.00 0.00 C ATOM 282 C VAL A 18 1.759 8.086 -2.844 1.00 0.00 C ATOM 283 O VAL A 18 2.900 8.487 -3.069 1.00 0.00 O ATOM 284 CB VAL A 18 -0.361 7.160 -3.839 1.00 0.00 C ATOM 285 CG1 VAL A 18 -1.471 7.384 -4.856 1.00 0.00 C ATOM 286 CG2 VAL A 18 0.364 5.848 -4.105 1.00 0.00 C ATOM 0 H VAL A 18 1.640 7.746 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 18 0.112 9.252 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.814 7.099 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.159 6.539 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.012 8.298 -4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.039 7.476 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.353 5.027 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.851 5.892 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.114 5.684 -3.332 1.00 0.00 H new ATOM 296 N THR A 19 1.428 7.412 -1.740 1.00 0.00 N ATOM 297 CA THR A 19 2.394 7.088 -0.691 1.00 0.00 C ATOM 298 C THR A 19 1.656 6.575 0.541 1.00 0.00 C ATOM 299 O THR A 19 1.064 7.354 1.283 1.00 0.00 O ATOM 300 CB THR A 19 3.239 8.314 -0.322 1.00 0.00 C ATOM 301 OG1 THR A 19 2.589 9.512 -0.707 1.00 0.00 O ATOM 302 CG2 THR A 19 4.611 8.309 -0.961 1.00 0.00 C ATOM 0 H THR A 19 0.484 7.077 -1.550 1.00 0.00 H new ATOM 0 HA THR A 19 3.065 6.315 -1.065 1.00 0.00 H new ATOM 0 HB THR A 19 3.359 8.264 0.760 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.820 9.726 -1.635 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.156 9.203 -0.659 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.159 7.424 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.507 8.297 -2.046 1.00 0.00 H new ATOM 310 N VAL A 20 1.677 5.264 0.750 1.00 0.00 N ATOM 311 CA VAL A 20 0.986 4.671 1.889 1.00 0.00 C ATOM 312 C VAL A 20 1.950 3.927 2.812 1.00 0.00 C ATOM 313 O VAL A 20 2.488 2.881 2.451 1.00 0.00 O ATOM 314 CB VAL A 20 -0.113 3.694 1.426 1.00 0.00 C ATOM 315 CG1 VAL A 20 -0.937 3.208 2.609 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.004 4.346 0.381 1.00 0.00 C ATOM 0 H VAL A 20 2.161 4.595 0.151 1.00 0.00 H new ATOM 0 HA VAL A 20 0.534 5.495 2.440 1.00 0.00 H new ATOM 0 HB VAL A 20 0.370 2.829 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.706 2.520 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.288 2.695 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.408 4.060 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.773 3.640 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.476 5.232 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.403 4.634 -0.481 1.00 0.00 H new ATOM 326 N THR A 21 2.153 4.468 4.009 1.00 0.00 N ATOM 327 CA THR A 21 3.040 3.850 4.990 1.00 0.00 C ATOM 328 C THR A 21 2.249 2.938 5.926 1.00 0.00 C ATOM 329 O THR A 21 1.419 3.404 6.706 1.00 0.00 O ATOM 330 CB THR A 21 3.769 4.924 5.799 1.00 0.00 C ATOM 331 OG1 THR A 21 3.975 6.087 5.017 1.00 0.00 O ATOM 332 CG2 THR A 21 5.119 4.472 6.314 1.00 0.00 C ATOM 0 H THR A 21 1.715 5.334 4.324 1.00 0.00 H new ATOM 0 HA THR A 21 3.777 3.250 4.457 1.00 0.00 H new ATOM 0 HB THR A 21 3.123 5.131 6.652 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.441 6.763 5.552 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.582 5.281 6.879 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.990 3.605 6.962 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.758 4.204 5.473 1.00 0.00 H new ATOM 340 N VAL A 22 2.503 1.636 5.834 1.00 0.00 N ATOM 341 CA VAL A 22 1.803 0.659 6.665 1.00 0.00 C ATOM 342 C VAL A 22 2.464 0.501 8.032 1.00 0.00 C ATOM 343 O VAL A 22 2.950 -0.577 8.379 1.00 0.00 O ATOM 344 CB VAL A 22 1.739 -0.716 5.975 1.00 0.00 C ATOM 345 CG1 VAL A 22 0.899 -0.641 4.709 1.00 0.00 C ATOM 346 CG2 VAL A 22 3.139 -1.223 5.665 1.00 0.00 C ATOM 0 H VAL A 22 3.187 1.233 5.194 1.00 0.00 H new ATOM 0 HA VAL A 22 0.792 1.040 6.806 1.00 0.00 H new ATOM 0 HB VAL A 22 1.264 -1.422 6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.866 -1.622 4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.113 -0.326 4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.342 0.079 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.074 -2.196 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.643 -0.519 5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.705 -1.319 6.592 1.00 0.00 H new ATOM 356 N LEU A 23 2.474 1.582 8.807 1.00 0.00 N ATOM 357 CA LEU A 23 3.069 1.570 10.144 1.00 0.00 C ATOM 358 C LEU A 23 2.645 0.325 10.924 1.00 0.00 C ATOM 359 O LEU A 23 1.455 0.084 11.124 1.00 0.00 O ATOM 360 CB LEU A 23 2.660 2.830 10.911 1.00 0.00 C ATOM 361 CG LEU A 23 3.795 3.540 11.649 1.00 0.00 C ATOM 362 CD1 LEU A 23 4.387 2.631 12.717 1.00 0.00 C ATOM 363 CD2 LEU A 23 4.870 3.989 10.670 1.00 0.00 C ATOM 0 H LEU A 23 2.076 2.480 8.533 1.00 0.00 H new ATOM 0 HA LEU A 23 4.153 1.550 10.033 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.209 3.532 10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.890 2.562 11.634 1.00 0.00 H new ATOM 0 HG LEU A 23 3.388 4.424 12.139 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.194 3.152 13.232 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.613 2.361 13.435 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.779 1.728 12.249 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.670 4.492 11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.275 3.120 10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.436 4.676 9.944 1.00 0.00 H new ATOM 375 N GLY A 24 3.625 -0.465 11.356 1.00 0.00 N ATOM 376 CA GLY A 24 3.329 -1.676 12.102 1.00 0.00 C ATOM 377 C GLY A 24 3.489 -1.503 13.601 1.00 0.00 C ATOM 378 O GLY A 24 3.009 -2.328 14.379 1.00 0.00 O ATOM 0 H GLY A 24 4.618 -0.288 11.203 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.308 -1.989 11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.987 -2.476 11.762 1.00 0.00 H new ATOM 382 N VAL A 25 4.164 -0.434 14.011 1.00 0.00 N ATOM 383 CA VAL A 25 4.379 -0.166 15.424 1.00 0.00 C ATOM 384 C VAL A 25 3.192 0.586 16.010 1.00 0.00 C ATOM 385 O VAL A 25 2.800 1.634 15.496 1.00 0.00 O ATOM 386 CB VAL A 25 5.663 0.656 15.661 1.00 0.00 C ATOM 387 CG1 VAL A 25 6.165 0.464 17.084 1.00 0.00 C ATOM 388 CG2 VAL A 25 6.742 0.280 14.653 1.00 0.00 C ATOM 0 H VAL A 25 4.571 0.259 13.383 1.00 0.00 H new ATOM 0 HA VAL A 25 4.488 -1.130 15.920 1.00 0.00 H new ATOM 0 HB VAL A 25 5.423 1.710 15.521 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.071 1.051 17.233 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.400 0.793 17.787 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.384 -0.590 17.253 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.637 0.873 14.840 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.980 -0.779 14.753 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.381 0.477 13.643 1.00 0.00 H new ATOM 398 N LYS A 26 2.618 0.050 17.085 1.00 0.00 N ATOM 399 CA LYS A 26 1.469 0.673 17.735 1.00 0.00 C ATOM 400 C LYS A 26 0.970 -0.191 18.891 1.00 0.00 C ATOM 401 O LYS A 26 1.332 -1.362 19.005 1.00 0.00 O ATOM 402 CB LYS A 26 0.336 0.892 16.728 1.00 0.00 C ATOM 403 CG LYS A 26 -0.547 2.088 17.051 1.00 0.00 C ATOM 404 CD LYS A 26 0.268 3.366 17.186 1.00 0.00 C ATOM 405 CE LYS A 26 0.236 3.904 18.608 1.00 0.00 C ATOM 406 NZ LYS A 26 1.503 3.620 19.339 1.00 0.00 N ATOM 0 H LYS A 26 2.931 -0.816 17.524 1.00 0.00 H new ATOM 0 HA LYS A 26 1.787 1.639 18.128 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.765 1.026 15.735 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.282 -0.005 16.689 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.293 2.213 16.266 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.088 1.901 17.978 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.300 3.173 16.893 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.122 4.120 16.502 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.064 4.980 18.585 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.601 3.459 19.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.709 4.402 19.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.402 2.736 19.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.283 3.523 18.658 1.00 0.00 H new ATOM 420 N GLY A 27 0.136 0.394 19.745 1.00 0.00 N ATOM 421 CA GLY A 27 -0.402 -0.338 20.879 1.00 0.00 C ATOM 422 C GLY A 27 -1.718 -1.023 20.558 1.00 0.00 C ATOM 423 O GLY A 27 -2.744 -0.362 20.405 1.00 0.00 O ATOM 0 H GLY A 27 -0.177 1.362 19.673 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.323 -1.085 21.202 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.547 0.348 21.714 1.00 0.00 H new ATOM 427 N ASN A 28 -1.684 -2.352 20.454 1.00 0.00 N ATOM 428 CA ASN A 28 -2.880 -3.137 20.144 1.00 0.00 C ATOM 429 C ASN A 28 -3.381 -2.828 18.736 1.00 0.00 C ATOM 430 O ASN A 28 -3.282 -3.659 17.834 1.00 0.00 O ATOM 431 CB ASN A 28 -3.985 -2.864 21.168 1.00 0.00 C ATOM 432 CG ASN A 28 -3.666 -3.446 22.531 1.00 0.00 C ATOM 433 OD1 ASN A 28 -2.596 -3.200 23.089 1.00 0.00 O ATOM 434 ND2 ASN A 28 -4.595 -4.223 23.076 1.00 0.00 N ATOM 0 H ASN A 28 -0.839 -2.909 20.580 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.612 -4.192 20.192 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.133 -1.788 21.261 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.923 -3.285 20.807 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.436 -4.642 23.992 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.468 -4.400 22.578 1.00 0.00 H new ATOM 441 N GLN A 29 -3.902 -1.621 18.555 1.00 0.00 N ATOM 442 CA GLN A 29 -4.403 -1.187 17.257 1.00 0.00 C ATOM 443 C GLN A 29 -3.252 -0.640 16.421 1.00 0.00 C ATOM 444 O GLN A 29 -2.407 0.091 16.933 1.00 0.00 O ATOM 445 CB GLN A 29 -5.482 -0.117 17.435 1.00 0.00 C ATOM 446 CG GLN A 29 -6.896 -0.641 17.240 1.00 0.00 C ATOM 447 CD GLN A 29 -7.953 0.376 17.625 1.00 0.00 C ATOM 448 OE1 GLN A 29 -8.838 0.698 16.833 1.00 0.00 O ATOM 449 NE2 GLN A 29 -7.864 0.889 18.847 1.00 0.00 N ATOM 0 H GLN A 29 -3.989 -0.923 19.294 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.845 -2.040 16.743 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.396 0.311 18.434 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.302 0.691 16.726 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.034 -0.925 16.197 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.031 -1.543 17.837 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.113 0.593 19.471 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.546 1.579 19.161 1.00 0.00 H new ATOM 458 N VAL A 30 -3.205 -1.005 15.143 1.00 0.00 N ATOM 459 CA VAL A 30 -2.126 -0.547 14.277 1.00 0.00 C ATOM 460 C VAL A 30 -2.507 0.724 13.538 1.00 0.00 C ATOM 461 O VAL A 30 -3.469 0.748 12.771 1.00 0.00 O ATOM 462 CB VAL A 30 -1.722 -1.623 13.252 1.00 0.00 C ATOM 463 CG1 VAL A 30 -0.389 -1.274 12.610 1.00 0.00 C ATOM 464 CG2 VAL A 30 -1.661 -2.995 13.908 1.00 0.00 C ATOM 0 H VAL A 30 -3.892 -1.608 14.690 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.276 -0.342 14.928 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.481 -1.654 12.470 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.120 -2.045 11.889 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.471 -0.314 12.101 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.380 -1.212 13.380 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.374 -3.740 13.166 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.926 -2.981 14.712 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.640 -3.247 14.316 1.00 0.00 H new ATOM 474 N ARG A 31 -1.736 1.784 13.772 1.00 0.00 N ATOM 475 CA ARG A 31 -1.984 3.053 13.129 1.00 0.00 C ATOM 476 C ARG A 31 -1.369 3.069 11.739 1.00 0.00 C ATOM 477 O ARG A 31 -0.172 3.303 11.576 1.00 0.00 O ATOM 478 CB ARG A 31 -1.412 4.197 13.970 1.00 0.00 C ATOM 479 CG ARG A 31 -2.442 4.882 14.852 1.00 0.00 C ATOM 480 CD ARG A 31 -1.928 6.215 15.374 1.00 0.00 C ATOM 481 NE ARG A 31 -2.643 6.648 16.571 1.00 0.00 N ATOM 482 CZ ARG A 31 -2.334 7.743 17.263 1.00 0.00 C ATOM 483 NH1 ARG A 31 -1.326 8.516 16.879 1.00 0.00 N ATOM 484 NH2 ARG A 31 -3.036 8.066 18.341 1.00 0.00 N ATOM 0 H ARG A 31 -0.936 1.780 14.404 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.062 3.190 13.038 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.610 3.809 14.598 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.966 4.937 13.305 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.360 5.041 14.286 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.693 4.233 15.691 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.865 6.131 15.598 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.031 6.972 14.597 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.425 6.079 16.896 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.784 8.273 16.050 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.094 9.354 17.413 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.812 7.476 18.640 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.799 8.905 18.871 1.00 0.00 H new ATOM 498 N ILE A 32 -2.198 2.810 10.743 1.00 0.00 N ATOM 499 CA ILE A 32 -1.756 2.780 9.359 1.00 0.00 C ATOM 500 C ILE A 32 -1.951 4.142 8.704 1.00 0.00 C ATOM 501 O ILE A 32 -3.041 4.711 8.750 1.00 0.00 O ATOM 502 CB ILE A 32 -2.523 1.705 8.561 1.00 0.00 C ATOM 503 CG1 ILE A 32 -2.802 0.485 9.450 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.738 1.301 7.320 1.00 0.00 C ATOM 505 CD1 ILE A 32 -1.552 -0.122 10.049 1.00 0.00 C ATOM 0 H ILE A 32 -3.191 2.615 10.869 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.695 2.531 9.353 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.477 2.122 8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.476 0.778 10.255 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.319 -0.273 8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.294 0.542 6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.588 2.174 6.684 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.770 0.898 7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.823 -0.979 10.665 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.886 -0.446 9.249 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.045 0.621 10.664 1.00 0.00 H new ATOM 517 N GLY A 33 -0.889 4.663 8.099 1.00 0.00 N ATOM 518 CA GLY A 33 -0.971 5.957 7.451 1.00 0.00 C ATOM 519 C GLY A 33 -1.065 5.841 5.946 1.00 0.00 C ATOM 520 O GLY A 33 -0.115 5.421 5.289 1.00 0.00 O ATOM 0 H GLY A 33 0.025 4.213 8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.842 6.494 7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.094 6.548 7.713 1.00 0.00 H new ATOM 524 N VAL A 34 -2.214 6.213 5.397 1.00 0.00 N ATOM 525 CA VAL A 34 -2.424 6.144 3.959 1.00 0.00 C ATOM 526 C VAL A 34 -2.400 7.533 3.332 1.00 0.00 C ATOM 527 O VAL A 34 -3.365 8.291 3.438 1.00 0.00 O ATOM 528 CB VAL A 34 -3.763 5.462 3.620 1.00 0.00 C ATOM 529 CG1 VAL A 34 -3.896 5.257 2.119 1.00 0.00 C ATOM 530 CG2 VAL A 34 -3.893 4.139 4.360 1.00 0.00 C ATOM 0 H VAL A 34 -3.013 6.565 5.925 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.608 5.550 3.548 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.573 6.115 3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.848 4.774 1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.855 6.223 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.080 4.627 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.845 3.673 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.077 3.478 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.850 4.317 5.434 1.00 0.00 H new ATOM 540 N ASN A 35 -1.293 7.859 2.675 1.00 0.00 N ATOM 541 CA ASN A 35 -1.149 9.154 2.024 1.00 0.00 C ATOM 542 C ASN A 35 -1.453 9.036 0.535 1.00 0.00 C ATOM 543 O ASN A 35 -0.670 8.474 -0.231 1.00 0.00 O ATOM 544 CB ASN A 35 0.260 9.714 2.234 1.00 0.00 C ATOM 545 CG ASN A 35 0.253 11.202 2.525 1.00 0.00 C ATOM 546 OD1 ASN A 35 0.770 11.648 3.549 1.00 0.00 O ATOM 547 ND2 ASN A 35 -0.335 11.978 1.622 1.00 0.00 N ATOM 0 H ASN A 35 -0.484 7.245 2.579 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.863 9.843 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.738 9.187 3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.860 9.523 1.344 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.371 12.988 1.763 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.751 11.564 0.787 1.00 0.00 H new ATOM 554 N ALA A 36 -2.602 9.565 0.140 1.00 0.00 N ATOM 555 CA ALA A 36 -3.029 9.520 -1.253 1.00 0.00 C ATOM 556 C ALA A 36 -3.623 10.852 -1.704 1.00 0.00 C ATOM 557 O ALA A 36 -4.264 11.554 -0.921 1.00 0.00 O ATOM 558 CB ALA A 36 -4.036 8.398 -1.457 1.00 0.00 C ATOM 0 H ALA A 36 -3.258 10.032 0.766 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.148 9.327 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.348 8.374 -2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.577 7.445 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.906 8.570 -0.823 1.00 0.00 H new ATOM 564 N PRO A 37 -3.416 11.216 -2.982 1.00 0.00 N ATOM 565 CA PRO A 37 -3.928 12.464 -3.548 1.00 0.00 C ATOM 566 C PRO A 37 -5.377 12.341 -4.008 1.00 0.00 C ATOM 567 O PRO A 37 -5.852 11.245 -4.304 1.00 0.00 O ATOM 568 CB PRO A 37 -3.010 12.684 -4.745 1.00 0.00 C ATOM 569 CG PRO A 37 -2.697 11.306 -5.217 1.00 0.00 C ATOM 570 CD PRO A 37 -2.660 10.436 -3.985 1.00 0.00 C ATOM 0 HA PRO A 37 -3.930 13.280 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.501 13.270 -5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.106 13.224 -4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.453 10.954 -5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.741 11.282 -5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.120 9.465 -4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.637 10.248 -3.658 1.00 0.00 H new ATOM 578 N LYS A 38 -6.073 13.471 -4.071 1.00 0.00 N ATOM 579 CA LYS A 38 -7.467 13.485 -4.502 1.00 0.00 C ATOM 580 C LYS A 38 -7.580 13.380 -6.024 1.00 0.00 C ATOM 581 O LYS A 38 -8.683 13.320 -6.566 1.00 0.00 O ATOM 582 CB LYS A 38 -8.158 14.761 -4.017 1.00 0.00 C ATOM 583 CG LYS A 38 -7.491 16.038 -4.505 1.00 0.00 C ATOM 584 CD LYS A 38 -7.394 17.076 -3.399 1.00 0.00 C ATOM 585 CE LYS A 38 -7.603 18.485 -3.933 1.00 0.00 C ATOM 586 NZ LYS A 38 -6.331 19.259 -3.969 1.00 0.00 N ATOM 0 H LYS A 38 -5.696 14.388 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.960 12.618 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.195 14.752 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.175 14.763 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.493 15.808 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.057 16.448 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.139 16.863 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.417 17.009 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.026 18.434 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.328 19.006 -3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.516 20.213 -4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.940 19.330 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.648 18.775 -4.586 1.00 0.00 H new ATOM 600 N GLU A 39 -6.438 13.362 -6.710 1.00 0.00 N ATOM 601 CA GLU A 39 -6.422 13.269 -8.165 1.00 0.00 C ATOM 602 C GLU A 39 -6.860 11.883 -8.634 1.00 0.00 C ATOM 603 O GLU A 39 -7.628 11.757 -9.588 1.00 0.00 O ATOM 604 CB GLU A 39 -5.025 13.586 -8.702 1.00 0.00 C ATOM 605 CG GLU A 39 -5.027 14.577 -9.855 1.00 0.00 C ATOM 606 CD GLU A 39 -4.124 14.149 -10.994 1.00 0.00 C ATOM 607 OE1 GLU A 39 -4.566 13.331 -11.828 1.00 0.00 O ATOM 608 OE2 GLU A 39 -2.974 14.633 -11.054 1.00 0.00 O ATOM 0 H GLU A 39 -5.514 13.411 -6.280 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.129 14.001 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.415 13.985 -7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.552 12.660 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.045 14.693 -10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.708 15.553 -9.490 1.00 0.00 H new ATOM 615 N VAL A 40 -6.372 10.847 -7.959 1.00 0.00 N ATOM 616 CA VAL A 40 -6.722 9.476 -8.313 1.00 0.00 C ATOM 617 C VAL A 40 -7.951 9.013 -7.537 1.00 0.00 C ATOM 618 O VAL A 40 -8.220 9.497 -6.437 1.00 0.00 O ATOM 619 CB VAL A 40 -5.555 8.502 -8.051 1.00 0.00 C ATOM 620 CG1 VAL A 40 -5.835 7.152 -8.691 1.00 0.00 C ATOM 621 CG2 VAL A 40 -4.248 9.083 -8.570 1.00 0.00 C ATOM 0 H VAL A 40 -5.735 10.930 -7.167 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.943 9.470 -9.380 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.461 8.357 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.001 6.477 -8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.748 6.732 -8.269 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.956 7.278 -9.767 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.436 8.382 -8.376 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.328 9.258 -9.643 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.042 10.026 -8.063 1.00 0.00 H new ATOM 631 N SER A 41 -8.698 8.080 -8.118 1.00 0.00 N ATOM 632 CA SER A 41 -9.903 7.561 -7.479 1.00 0.00 C ATOM 633 C SER A 41 -9.551 6.591 -6.358 1.00 0.00 C ATOM 634 O SER A 41 -9.139 5.459 -6.611 1.00 0.00 O ATOM 635 CB SER A 41 -10.791 6.865 -8.511 1.00 0.00 C ATOM 636 OG SER A 41 -11.985 6.386 -7.917 1.00 0.00 O ATOM 0 H SER A 41 -8.491 7.668 -9.028 1.00 0.00 H new ATOM 0 HA SER A 41 -10.447 8.402 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.034 7.561 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.247 6.035 -8.962 1.00 0.00 H new ATOM 0 HG SER A 41 -12.536 5.947 -8.598 1.00 0.00 H new ATOM 642 N VAL A 42 -9.715 7.040 -5.116 1.00 0.00 N ATOM 643 CA VAL A 42 -9.410 6.204 -3.963 1.00 0.00 C ATOM 644 C VAL A 42 -10.638 6.011 -3.071 1.00 0.00 C ATOM 645 O VAL A 42 -11.195 6.978 -2.552 1.00 0.00 O ATOM 646 CB VAL A 42 -8.269 6.810 -3.122 1.00 0.00 C ATOM 647 CG1 VAL A 42 -8.682 8.156 -2.544 1.00 0.00 C ATOM 648 CG2 VAL A 42 -7.850 5.852 -2.017 1.00 0.00 C ATOM 0 H VAL A 42 -10.056 7.973 -4.885 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.097 5.235 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.411 6.971 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.862 8.566 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.923 8.842 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.557 8.026 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.044 6.298 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.701 5.653 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.505 4.917 -2.458 1.00 0.00 H new ATOM 658 N HIS A 43 -11.050 4.757 -2.891 1.00 0.00 N ATOM 659 CA HIS A 43 -12.203 4.441 -2.056 1.00 0.00 C ATOM 660 C HIS A 43 -11.849 3.364 -1.034 1.00 0.00 C ATOM 661 O HIS A 43 -11.223 2.359 -1.373 1.00 0.00 O ATOM 662 CB HIS A 43 -13.375 3.974 -2.922 1.00 0.00 C ATOM 663 CG HIS A 43 -13.934 5.050 -3.801 1.00 0.00 C ATOM 664 ND1 HIS A 43 -13.147 5.973 -4.456 1.00 0.00 N ATOM 665 CD2 HIS A 43 -15.213 5.348 -4.133 1.00 0.00 C ATOM 666 CE1 HIS A 43 -13.915 6.792 -5.152 1.00 0.00 C ATOM 667 NE2 HIS A 43 -15.173 6.434 -4.973 1.00 0.00 N ATOM 0 H HIS A 43 -10.601 3.944 -3.313 1.00 0.00 H new ATOM 0 HA HIS A 43 -12.495 5.345 -1.522 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -13.047 3.141 -3.544 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -14.167 3.596 -2.275 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -16.099 4.828 -3.799 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -13.572 7.614 -5.763 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.984 6.890 -5.391 1.00 0.00 H new ATOM 675 N ARG A 44 -12.250 3.575 0.215 1.00 0.00 N ATOM 676 CA ARG A 44 -11.968 2.612 1.275 1.00 0.00 C ATOM 677 C ARG A 44 -12.991 2.716 2.404 1.00 0.00 C ATOM 678 O ARG A 44 -13.553 1.711 2.837 1.00 0.00 O ATOM 679 CB ARG A 44 -10.557 2.826 1.827 1.00 0.00 C ATOM 680 CG ARG A 44 -10.315 4.231 2.355 1.00 0.00 C ATOM 681 CD ARG A 44 -8.856 4.442 2.731 1.00 0.00 C ATOM 682 NE ARG A 44 -8.154 5.272 1.755 1.00 0.00 N ATOM 683 CZ ARG A 44 -8.236 6.600 1.715 1.00 0.00 C ATOM 684 NH1 ARG A 44 -8.990 7.252 2.591 1.00 0.00 N ATOM 685 NH2 ARG A 44 -7.563 7.277 0.795 1.00 0.00 N ATOM 0 H ARG A 44 -12.769 4.399 0.518 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.036 1.613 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.377 2.110 2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -9.832 2.613 1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.606 4.960 1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.945 4.407 3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.799 4.911 3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.358 3.475 2.810 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.566 4.806 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.511 6.735 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.049 8.270 2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.983 6.780 0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.625 8.295 0.763 1.00 0.00 H new ATOM 699 N GLU A 45 -13.225 3.935 2.877 1.00 0.00 N ATOM 700 CA GLU A 45 -14.179 4.163 3.957 1.00 0.00 C ATOM 701 C GLU A 45 -14.608 5.625 4.005 1.00 0.00 C ATOM 702 O GLU A 45 -13.772 6.525 4.099 1.00 0.00 O ATOM 703 CB GLU A 45 -13.567 3.753 5.300 1.00 0.00 C ATOM 704 CG GLU A 45 -13.983 2.366 5.761 1.00 0.00 C ATOM 705 CD GLU A 45 -15.489 2.197 5.814 1.00 0.00 C ATOM 706 OE1 GLU A 45 -16.083 1.831 4.778 1.00 0.00 O ATOM 707 OE2 GLU A 45 -16.075 2.430 6.893 1.00 0.00 O ATOM 0 H GLU A 45 -12.769 4.779 2.531 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.061 3.552 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.481 3.790 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.856 4.481 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.561 1.621 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.565 2.175 6.749 1.00 0.00 H new ATOM 714 N GLU A 46 -15.915 5.856 3.937 1.00 0.00 N ATOM 715 CA GLU A 46 -16.457 7.209 3.970 1.00 0.00 C ATOM 716 C GLU A 46 -16.004 7.952 5.224 1.00 0.00 C ATOM 717 O GLU A 46 -15.364 8.999 5.136 1.00 0.00 O ATOM 718 CB GLU A 46 -17.986 7.170 3.911 1.00 0.00 C ATOM 719 CG GLU A 46 -18.548 7.441 2.526 1.00 0.00 C ATOM 720 CD GLU A 46 -19.120 8.839 2.392 1.00 0.00 C ATOM 721 OE1 GLU A 46 -18.543 9.776 2.984 1.00 0.00 O ATOM 722 OE2 GLU A 46 -20.144 8.998 1.695 1.00 0.00 O ATOM 0 H GLU A 46 -16.619 5.122 3.859 1.00 0.00 H new ATOM 0 HA GLU A 46 -16.078 7.744 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -18.329 6.192 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.387 7.906 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.761 7.302 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -19.327 6.711 2.305 1.00 0.00 H new ATOM 729 N ILE A 47 -16.338 7.403 6.388 1.00 0.00 N ATOM 730 CA ILE A 47 -15.965 8.016 7.658 1.00 0.00 C ATOM 731 C ILE A 47 -14.452 8.179 7.768 1.00 0.00 C ATOM 732 O ILE A 47 -13.960 9.216 8.218 1.00 0.00 O ATOM 733 CB ILE A 47 -16.477 7.187 8.854 1.00 0.00 C ATOM 734 CG1 ILE A 47 -16.168 7.902 10.171 1.00 0.00 C ATOM 735 CG2 ILE A 47 -15.860 5.796 8.841 1.00 0.00 C ATOM 736 CD1 ILE A 47 -16.779 7.230 11.381 1.00 0.00 C ATOM 0 H ILE A 47 -16.866 6.535 6.478 1.00 0.00 H new ATOM 0 HA ILE A 47 -16.432 9.000 7.685 1.00 0.00 H new ATOM 0 HB ILE A 47 -17.558 7.083 8.765 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -15.087 7.955 10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.532 8.928 10.112 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.232 5.225 9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.130 5.287 7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -14.775 5.879 8.906 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.519 7.791 12.279 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -17.863 7.201 11.272 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -16.396 6.213 11.465 1.00 0.00 H new ATOM 748 N TYR A 48 -13.717 7.149 7.349 1.00 0.00 N ATOM 749 CA TYR A 48 -12.257 7.175 7.395 1.00 0.00 C ATOM 750 C TYR A 48 -11.723 8.513 6.894 1.00 0.00 C ATOM 751 O TYR A 48 -11.020 9.222 7.614 1.00 0.00 O ATOM 752 CB TYR A 48 -11.678 6.034 6.555 1.00 0.00 C ATOM 753 CG TYR A 48 -11.553 4.727 7.306 1.00 0.00 C ATOM 754 CD1 TYR A 48 -12.537 4.318 8.198 1.00 0.00 C ATOM 755 CD2 TYR A 48 -10.450 3.902 7.122 1.00 0.00 C ATOM 756 CE1 TYR A 48 -12.425 3.125 8.886 1.00 0.00 C ATOM 757 CE2 TYR A 48 -10.332 2.707 7.806 1.00 0.00 C ATOM 758 CZ TYR A 48 -11.321 2.323 8.686 1.00 0.00 C ATOM 759 OH TYR A 48 -11.206 1.134 9.369 1.00 0.00 O ATOM 0 H TYR A 48 -14.110 6.286 6.974 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.948 7.045 8.432 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -12.311 5.881 5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.694 6.328 6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.404 4.943 8.356 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.673 4.199 6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.198 2.822 9.577 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.469 2.077 7.652 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.099 0.774 9.551 1.00 0.00 H new ATOM 769 N GLN A 49 -12.073 8.856 5.660 1.00 0.00 N ATOM 770 CA GLN A 49 -11.640 10.114 5.068 1.00 0.00 C ATOM 771 C GLN A 49 -12.454 11.282 5.621 1.00 0.00 C ATOM 772 O GLN A 49 -12.015 12.430 5.575 1.00 0.00 O ATOM 773 CB GLN A 49 -11.775 10.058 3.545 1.00 0.00 C ATOM 774 CG GLN A 49 -13.124 9.545 3.071 1.00 0.00 C ATOM 775 CD GLN A 49 -13.387 9.862 1.612 1.00 0.00 C ATOM 776 OE1 GLN A 49 -13.435 11.026 1.216 1.00 0.00 O ATOM 777 NE2 GLN A 49 -13.560 8.823 0.802 1.00 0.00 N ATOM 0 H GLN A 49 -12.655 8.281 5.051 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.593 10.269 5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.612 11.056 3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.990 9.417 3.143 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.171 8.466 3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.912 9.985 3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.512 7.874 1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.741 8.975 -0.190 1.00 0.00 H new ATOM 786 N ARG A 50 -13.641 10.980 6.147 1.00 0.00 N ATOM 787 CA ARG A 50 -14.516 12.003 6.711 1.00 0.00 C ATOM 788 C ARG A 50 -13.915 12.609 7.977 1.00 0.00 C ATOM 789 O ARG A 50 -14.360 13.657 8.443 1.00 0.00 O ATOM 790 CB ARG A 50 -15.893 11.413 7.022 1.00 0.00 C ATOM 791 CG ARG A 50 -17.004 12.450 7.064 1.00 0.00 C ATOM 792 CD ARG A 50 -17.901 12.358 5.840 1.00 0.00 C ATOM 793 NE ARG A 50 -17.148 12.504 4.596 1.00 0.00 N ATOM 794 CZ ARG A 50 -17.712 12.619 3.396 1.00 0.00 C ATOM 795 NH1 ARG A 50 -19.034 12.605 3.272 1.00 0.00 N ATOM 796 NH2 ARG A 50 -16.953 12.749 2.317 1.00 0.00 N ATOM 0 H ARG A 50 -14.017 10.033 6.193 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.623 12.795 5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.136 10.663 6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.850 10.899 7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -17.601 12.308 7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.569 13.448 7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -18.417 11.398 5.840 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -18.667 13.132 5.893 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.130 12.519 4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -19.623 12.506 4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.461 12.694 2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.937 12.761 2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.385 12.837 1.397 1.00 0.00 H new ATOM 810 N ILE A 51 -12.907 11.943 8.534 1.00 0.00 N ATOM 811 CA ILE A 51 -12.253 12.420 9.748 1.00 0.00 C ATOM 812 C ILE A 51 -10.790 12.773 9.489 1.00 0.00 C ATOM 813 O ILE A 51 -10.211 13.605 10.188 1.00 0.00 O ATOM 814 CB ILE A 51 -12.322 11.368 10.871 1.00 0.00 C ATOM 815 CG1 ILE A 51 -13.751 10.844 11.023 1.00 0.00 C ATOM 816 CG2 ILE A 51 -11.825 11.958 12.183 1.00 0.00 C ATOM 817 CD1 ILE A 51 -14.736 11.898 11.482 1.00 0.00 C ATOM 0 H ILE A 51 -12.526 11.072 8.164 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.788 13.316 10.062 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.676 10.532 10.604 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -14.084 10.438 10.068 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -13.753 10.021 11.737 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.880 11.202 12.966 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.792 12.285 12.067 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.447 12.810 12.457 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.728 11.456 11.568 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.427 12.287 12.452 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.763 12.711 10.757 1.00 0.00 H new ATOM 829 N GLN A 52 -10.197 12.135 8.485 1.00 0.00 N ATOM 830 CA GLN A 52 -8.802 12.381 8.139 1.00 0.00 C ATOM 831 C GLN A 52 -8.696 13.274 6.906 1.00 0.00 C ATOM 832 O GLN A 52 -8.105 14.352 6.957 1.00 0.00 O ATOM 833 CB GLN A 52 -8.078 11.055 7.892 1.00 0.00 C ATOM 834 CG GLN A 52 -6.889 10.831 8.811 1.00 0.00 C ATOM 835 CD GLN A 52 -7.248 10.977 10.277 1.00 0.00 C ATOM 836 OE1 GLN A 52 -8.398 10.780 10.669 1.00 0.00 O ATOM 837 NE2 GLN A 52 -6.262 11.326 11.096 1.00 0.00 N ATOM 0 H GLN A 52 -10.661 11.443 7.896 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.329 12.895 8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.785 10.235 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.738 11.024 6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.484 9.834 8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.102 11.543 8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.323 11.479 10.728 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.444 11.441 12.093 1.00 0.00 H new ATOM 846 N ALA A 53 -9.277 12.819 5.800 1.00 0.00 N ATOM 847 CA ALA A 53 -9.251 13.578 4.557 1.00 0.00 C ATOM 848 C ALA A 53 -9.936 14.925 4.738 1.00 0.00 C ATOM 849 O ALA A 53 -9.302 15.975 4.636 1.00 0.00 O ATOM 850 CB ALA A 53 -9.913 12.789 3.439 1.00 0.00 C ATOM 0 H ALA A 53 -9.771 11.929 5.741 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.211 13.757 4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.885 13.370 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.380 11.850 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.949 12.580 3.705 1.00 0.00 H new ATOM 856 N GLU A 54 -11.234 14.887 5.019 1.00 0.00 N ATOM 857 CA GLU A 54 -12.002 16.106 5.229 1.00 0.00 C ATOM 858 C GLU A 54 -12.390 16.243 6.697 1.00 0.00 C ATOM 859 O GLU A 54 -13.136 15.422 7.230 1.00 0.00 O ATOM 860 CB GLU A 54 -13.250 16.114 4.343 1.00 0.00 C ATOM 861 CG GLU A 54 -14.020 14.805 4.362 1.00 0.00 C ATOM 862 CD GLU A 54 -13.908 14.042 3.055 1.00 0.00 C ATOM 863 OE1 GLU A 54 -13.756 14.692 2.000 1.00 0.00 O ATOM 864 OE2 GLU A 54 -13.973 12.795 3.088 1.00 0.00 O ATOM 0 H GLU A 54 -11.774 14.026 5.106 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.380 16.958 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.910 16.918 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.956 16.337 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.649 14.181 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -15.070 15.009 4.570 1.00 0.00 H new ATOM 871 N LYS A 55 -11.869 17.298 7.327 1.00 0.00 N ATOM 872 CA LYS A 55 -12.118 17.610 8.740 1.00 0.00 C ATOM 873 C LYS A 55 -10.908 18.324 9.332 1.00 0.00 C ATOM 874 O LYS A 55 -11.045 19.215 10.170 1.00 0.00 O ATOM 875 CB LYS A 55 -12.423 16.354 9.567 1.00 0.00 C ATOM 876 CG LYS A 55 -13.900 16.184 9.884 1.00 0.00 C ATOM 877 CD LYS A 55 -14.116 15.256 11.071 1.00 0.00 C ATOM 878 CE LYS A 55 -14.756 15.985 12.242 1.00 0.00 C ATOM 879 NZ LYS A 55 -13.748 16.403 13.255 1.00 0.00 N ATOM 0 H LYS A 55 -11.254 17.969 6.866 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.995 18.256 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.072 15.476 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.861 16.397 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.341 17.158 10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.416 15.785 9.011 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.750 14.422 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.160 14.834 11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.288 16.863 11.876 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.496 15.337 12.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.225 16.896 14.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.258 15.563 13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.056 17.042 12.813 1.00 0.00 H new ATOM 983 N MET B 1 -1.955 13.118 4.242 1.00 0.00 N ATOM 984 CA MET B 1 -1.740 11.890 5.051 1.00 0.00 C ATOM 985 C MET B 1 -2.959 11.576 5.912 1.00 0.00 C ATOM 986 O MET B 1 -3.469 12.442 6.623 1.00 0.00 O ATOM 987 CB MET B 1 -0.509 12.097 5.935 1.00 0.00 C ATOM 988 CG MET B 1 0.202 10.803 6.299 1.00 0.00 C ATOM 989 SD MET B 1 1.130 10.931 7.840 1.00 0.00 S ATOM 990 CE MET B 1 2.338 9.627 7.617 1.00 0.00 C ATOM 0 H1 MET B 1 -1.110 13.307 3.666 1.00 0.00 H new ATOM 0 H2 MET B 1 -2.776 12.983 3.618 1.00 0.00 H new ATOM 0 H3 MET B 1 -2.130 13.924 4.875 1.00 0.00 H new ATOM 0 HA MET B 1 -1.584 11.044 4.381 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.192 12.755 5.420 1.00 0.00 H new ATOM 0 HB3 MET B 1 -0.810 12.606 6.850 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.532 10.002 6.387 1.00 0.00 H new ATOM 0 HG3 MET B 1 0.881 10.527 5.492 1.00 0.00 H new ATOM 0 HE1 MET B 1 2.988 9.580 8.490 1.00 0.00 H new ATOM 0 HE2 MET B 1 1.825 8.673 7.495 1.00 0.00 H new ATOM 0 HE3 MET B 1 2.936 9.833 6.730 1.00 0.00 H new ATOM 1002 N LEU B 2 -3.419 10.331 5.846 1.00 0.00 N ATOM 1003 CA LEU B 2 -4.576 9.902 6.624 1.00 0.00 C ATOM 1004 C LEU B 2 -4.198 8.765 7.568 1.00 0.00 C ATOM 1005 O LEU B 2 -3.832 7.677 7.126 1.00 0.00 O ATOM 1006 CB LEU B 2 -5.705 9.456 5.692 1.00 0.00 C ATOM 1007 CG LEU B 2 -6.262 10.551 4.779 1.00 0.00 C ATOM 1008 CD1 LEU B 2 -5.225 10.967 3.747 1.00 0.00 C ATOM 1009 CD2 LEU B 2 -7.537 10.075 4.097 1.00 0.00 C ATOM 0 H LEU B 2 -3.009 9.602 5.262 1.00 0.00 H new ATOM 0 HA LEU B 2 -4.921 10.747 7.220 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -5.341 8.637 5.071 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -6.520 9.059 6.297 1.00 0.00 H new ATOM 0 HG LEU B 2 -6.502 11.421 5.390 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -5.640 11.746 3.108 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -4.339 11.348 4.255 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -4.952 10.105 3.138 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -7.921 10.865 3.451 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -7.321 9.190 3.499 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -8.283 9.829 4.852 1.00 0.00 H new ATOM 1021 N ILE B 3 -4.297 9.016 8.871 1.00 0.00 N ATOM 1022 CA ILE B 3 -3.970 8.002 9.866 1.00 0.00 C ATOM 1023 C ILE B 3 -5.220 7.226 10.272 1.00 0.00 C ATOM 1024 O ILE B 3 -6.073 7.734 11.000 1.00 0.00 O ATOM 1025 CB ILE B 3 -3.310 8.628 11.118 1.00 0.00 C ATOM 1026 CG1 ILE B 3 -1.881 9.081 10.795 1.00 0.00 C ATOM 1027 CG2 ILE B 3 -3.306 7.646 12.285 1.00 0.00 C ATOM 1028 CD1 ILE B 3 -0.896 7.938 10.631 1.00 0.00 C ATOM 0 H ILE B 3 -4.600 9.909 9.260 1.00 0.00 H new ATOM 0 HA ILE B 3 -3.255 7.316 9.411 1.00 0.00 H new ATOM 0 HB ILE B 3 -3.897 9.498 11.412 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -1.895 9.670 9.878 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -1.530 9.739 11.590 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -2.836 8.112 13.151 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -4.331 7.371 12.532 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -2.747 6.752 12.007 1.00 0.00 H new ATOM 0 HD11 ILE B 3 0.092 8.339 10.404 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -0.850 7.362 11.555 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -1.221 7.292 9.816 1.00 0.00 H new ATOM 1040 N LEU B 4 -5.318 5.993 9.790 1.00 0.00 N ATOM 1041 CA LEU B 4 -6.457 5.135 10.088 1.00 0.00 C ATOM 1042 C LEU B 4 -6.013 3.902 10.866 1.00 0.00 C ATOM 1043 O LEU B 4 -4.857 3.498 10.795 1.00 0.00 O ATOM 1044 CB LEU B 4 -7.158 4.714 8.795 1.00 0.00 C ATOM 1045 CG LEU B 4 -7.747 5.862 7.975 1.00 0.00 C ATOM 1046 CD1 LEU B 4 -8.676 6.708 8.832 1.00 0.00 C ATOM 1047 CD2 LEU B 4 -6.637 6.718 7.384 1.00 0.00 C ATOM 0 H LEU B 4 -4.617 5.563 9.187 1.00 0.00 H new ATOM 0 HA LEU B 4 -7.158 5.700 10.703 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.445 4.172 8.173 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.959 4.017 9.044 1.00 0.00 H new ATOM 0 HG LEU B 4 -8.328 5.438 7.156 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -9.086 7.520 8.232 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -9.490 6.088 9.208 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -8.119 7.123 9.672 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.074 7.530 6.803 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -6.030 7.133 8.189 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.011 6.105 6.736 1.00 0.00 H new ATOM 1059 N THR B 5 -6.942 3.301 11.598 1.00 0.00 N ATOM 1060 CA THR B 5 -6.635 2.105 12.374 1.00 0.00 C ATOM 1061 C THR B 5 -7.035 0.854 11.611 1.00 0.00 C ATOM 1062 O THR B 5 -8.133 0.772 11.061 1.00 0.00 O ATOM 1063 CB THR B 5 -7.343 2.128 13.725 1.00 0.00 C ATOM 1064 OG1 THR B 5 -8.011 3.360 13.930 1.00 0.00 O ATOM 1065 CG2 THR B 5 -6.395 1.916 14.882 1.00 0.00 C ATOM 0 H THR B 5 -7.908 3.619 11.671 1.00 0.00 H new ATOM 0 HA THR B 5 -5.559 2.092 12.545 1.00 0.00 H new ATOM 0 HB THR B 5 -8.057 1.305 13.696 1.00 0.00 H new ATOM 0 HG1 THR B 5 -8.458 3.349 14.802 1.00 0.00 H new ATOM 0 HG21 THR B 5 -6.952 1.942 15.818 1.00 0.00 H new ATOM 0 HG22 THR B 5 -5.905 0.948 14.778 1.00 0.00 H new ATOM 0 HG23 THR B 5 -5.643 2.705 14.885 1.00 0.00 H new ATOM 1073 N ARG B 6 -6.139 -0.119 11.584 1.00 0.00 N ATOM 1074 CA ARG B 6 -6.399 -1.367 10.891 1.00 0.00 C ATOM 1075 C ARG B 6 -5.633 -2.514 11.537 1.00 0.00 C ATOM 1076 O ARG B 6 -4.538 -2.324 12.072 1.00 0.00 O ATOM 1077 CB ARG B 6 -6.014 -1.247 9.415 1.00 0.00 C ATOM 1078 CG ARG B 6 -6.942 -0.348 8.614 1.00 0.00 C ATOM 1079 CD ARG B 6 -6.383 1.061 8.485 1.00 0.00 C ATOM 1080 NE ARG B 6 -6.760 1.688 7.220 1.00 0.00 N ATOM 1081 CZ ARG B 6 -6.131 1.471 6.067 1.00 0.00 C ATOM 1082 NH1 ARG B 6 -5.097 0.641 6.012 1.00 0.00 N ATOM 1083 NH2 ARG B 6 -6.538 2.086 4.965 1.00 0.00 N ATOM 0 H ARG B 6 -5.225 -0.067 12.035 1.00 0.00 H new ATOM 0 HA ARG B 6 -7.466 -1.579 10.963 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -4.997 -0.861 9.344 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -6.009 -2.241 8.968 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -7.093 -0.772 7.621 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -7.919 -0.310 9.097 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -6.744 1.671 9.313 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -5.296 1.028 8.563 1.00 0.00 H new ATOM 0 HE ARG B 6 -7.552 2.330 7.221 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -4.780 0.165 6.856 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -4.620 0.479 5.125 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -7.332 2.725 5.001 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -6.057 1.920 4.081 1.00 0.00 H new ATOM 1097 N ARG B 7 -6.224 -3.701 11.481 1.00 0.00 N ATOM 1098 CA ARG B 7 -5.607 -4.898 12.052 1.00 0.00 C ATOM 1099 C ARG B 7 -6.508 -6.131 11.920 1.00 0.00 C ATOM 1100 O ARG B 7 -6.092 -7.242 12.246 1.00 0.00 O ATOM 1101 CB ARG B 7 -5.253 -4.672 13.522 1.00 0.00 C ATOM 1102 CG ARG B 7 -4.393 -5.780 14.113 1.00 0.00 C ATOM 1103 CD ARG B 7 -5.064 -6.433 15.310 1.00 0.00 C ATOM 1104 NE ARG B 7 -4.274 -7.541 15.844 1.00 0.00 N ATOM 1105 CZ ARG B 7 -4.667 -8.313 16.855 1.00 0.00 C ATOM 1106 NH1 ARG B 7 -5.837 -8.101 17.444 1.00 0.00 N ATOM 1107 NH2 ARG B 7 -3.888 -9.299 17.277 1.00 0.00 N ATOM 0 H ARG B 7 -7.132 -3.864 11.046 1.00 0.00 H new ATOM 0 HA ARG B 7 -4.696 -5.087 11.484 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -4.727 -3.722 13.620 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -6.173 -4.588 14.101 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -4.195 -6.533 13.351 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -3.429 -5.371 14.414 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -5.217 -5.688 16.091 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -6.049 -6.797 15.019 1.00 0.00 H new ATOM 0 HE ARG B 7 -3.368 -7.734 15.417 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -6.440 -7.344 17.123 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -6.133 -8.695 18.218 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -2.988 -9.466 16.827 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -4.189 -9.891 18.052 1.00 0.00 H new ATOM 1121 N VAL B 8 -7.737 -5.940 11.442 1.00 0.00 N ATOM 1122 CA VAL B 8 -8.669 -7.048 11.275 1.00 0.00 C ATOM 1123 C VAL B 8 -9.010 -7.260 9.803 1.00 0.00 C ATOM 1124 O VAL B 8 -8.807 -8.345 9.259 1.00 0.00 O ATOM 1125 CB VAL B 8 -9.969 -6.814 12.067 1.00 0.00 C ATOM 1126 CG1 VAL B 8 -10.847 -8.055 12.033 1.00 0.00 C ATOM 1127 CG2 VAL B 8 -9.652 -6.414 13.500 1.00 0.00 C ATOM 0 H VAL B 8 -8.107 -5.031 11.165 1.00 0.00 H new ATOM 0 HA VAL B 8 -8.175 -7.939 11.662 1.00 0.00 H new ATOM 0 HB VAL B 8 -10.519 -5.998 11.598 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -11.761 -7.870 12.598 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -11.101 -8.293 11.000 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -10.310 -8.893 12.477 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -10.581 -6.252 14.047 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -9.081 -7.208 13.982 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -9.066 -5.495 13.500 1.00 0.00 H new ATOM 1137 N GLY B 9 -9.527 -6.215 9.163 1.00 0.00 N ATOM 1138 CA GLY B 9 -9.885 -6.310 7.760 1.00 0.00 C ATOM 1139 C GLY B 9 -10.491 -5.027 7.225 1.00 0.00 C ATOM 1140 O GLY B 9 -11.710 -4.854 7.243 1.00 0.00 O ATOM 0 H GLY B 9 -9.704 -5.306 9.591 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -8.997 -6.558 7.178 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -10.594 -7.127 7.624 1.00 0.00 H new ATOM 1144 N GLU B 10 -9.640 -4.125 6.744 1.00 0.00 N ATOM 1145 CA GLU B 10 -10.100 -2.852 6.199 1.00 0.00 C ATOM 1146 C GLU B 10 -10.212 -2.924 4.679 1.00 0.00 C ATOM 1147 O GLU B 10 -11.312 -2.931 4.129 1.00 0.00 O ATOM 1148 CB GLU B 10 -9.148 -1.725 6.604 1.00 0.00 C ATOM 1149 CG GLU B 10 -9.860 -0.453 7.035 1.00 0.00 C ATOM 1150 CD GLU B 10 -10.257 0.420 5.861 1.00 0.00 C ATOM 1151 OE1 GLU B 10 -9.353 0.964 5.193 1.00 0.00 O ATOM 1152 OE2 GLU B 10 -11.472 0.559 5.608 1.00 0.00 O ATOM 0 H GLU B 10 -8.628 -4.252 6.721 1.00 0.00 H new ATOM 0 HA GLU B 10 -11.088 -2.643 6.608 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -8.515 -2.071 7.421 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -8.490 -1.497 5.765 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -10.751 -0.715 7.605 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -9.210 0.114 7.702 1.00 0.00 H new ATOM 1159 N THR B 11 -9.064 -2.984 4.006 1.00 0.00 N ATOM 1160 CA THR B 11 -9.026 -3.063 2.547 1.00 0.00 C ATOM 1161 C THR B 11 -9.330 -1.713 1.903 1.00 0.00 C ATOM 1162 O THR B 11 -10.484 -1.292 1.831 1.00 0.00 O ATOM 1163 CB THR B 11 -10.013 -4.117 2.036 1.00 0.00 C ATOM 1164 OG1 THR B 11 -10.019 -5.252 2.884 1.00 0.00 O ATOM 1165 CG2 THR B 11 -9.707 -4.593 0.633 1.00 0.00 C ATOM 0 H THR B 11 -8.146 -2.979 4.450 1.00 0.00 H new ATOM 0 HA THR B 11 -8.014 -3.354 2.265 1.00 0.00 H new ATOM 0 HB THR B 11 -10.985 -3.624 2.031 1.00 0.00 H new ATOM 0 HG1 THR B 11 -10.657 -5.913 2.542 1.00 0.00 H new ATOM 0 HG21 THR B 11 -10.444 -5.338 0.333 1.00 0.00 H new ATOM 0 HG22 THR B 11 -9.745 -3.748 -0.054 1.00 0.00 H new ATOM 0 HG23 THR B 11 -8.712 -5.037 0.608 1.00 0.00 H new ATOM 1173 N LEU B 12 -8.283 -1.048 1.422 1.00 0.00 N ATOM 1174 CA LEU B 12 -8.427 0.246 0.764 1.00 0.00 C ATOM 1175 C LEU B 12 -8.172 0.100 -0.733 1.00 0.00 C ATOM 1176 O LEU B 12 -7.465 -0.812 -1.159 1.00 0.00 O ATOM 1177 CB LEU B 12 -7.467 1.277 1.377 1.00 0.00 C ATOM 1178 CG LEU B 12 -6.040 1.278 0.813 1.00 0.00 C ATOM 1179 CD1 LEU B 12 -5.389 2.639 1.001 1.00 0.00 C ATOM 1180 CD2 LEU B 12 -5.207 0.191 1.472 1.00 0.00 C ATOM 0 H LEU B 12 -7.322 -1.386 1.476 1.00 0.00 H new ATOM 0 HA LEU B 12 -9.446 0.603 0.914 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.893 2.270 1.238 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -7.413 1.101 2.451 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.094 1.071 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.378 2.618 0.594 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.974 3.397 0.480 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.348 2.879 2.063 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -4.198 0.206 1.060 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -5.163 0.368 2.547 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.662 -0.781 1.282 1.00 0.00 H new ATOM 1192 N MET B 13 -8.745 0.994 -1.531 1.00 0.00 N ATOM 1193 CA MET B 13 -8.559 0.935 -2.973 1.00 0.00 C ATOM 1194 C MET B 13 -8.097 2.273 -3.523 1.00 0.00 C ATOM 1195 O MET B 13 -8.894 3.187 -3.721 1.00 0.00 O ATOM 1196 CB MET B 13 -9.854 0.502 -3.661 1.00 0.00 C ATOM 1197 CG MET B 13 -9.724 0.359 -5.168 1.00 0.00 C ATOM 1198 SD MET B 13 -11.315 0.425 -6.013 1.00 0.00 S ATOM 1199 CE MET B 13 -11.458 2.182 -6.330 1.00 0.00 C ATOM 0 H MET B 13 -9.336 1.760 -1.207 1.00 0.00 H new ATOM 0 HA MET B 13 -7.784 0.197 -3.180 1.00 0.00 H new ATOM 0 HB2 MET B 13 -10.178 -0.450 -3.241 1.00 0.00 H new ATOM 0 HB3 MET B 13 -10.634 1.230 -3.440 1.00 0.00 H new ATOM 0 HG2 MET B 13 -9.081 1.152 -5.550 1.00 0.00 H new ATOM 0 HG3 MET B 13 -9.234 -0.587 -5.398 1.00 0.00 H new ATOM 0 HE1 MET B 13 -12.395 2.383 -6.850 1.00 0.00 H new ATOM 0 HE2 MET B 13 -11.444 2.725 -5.385 1.00 0.00 H new ATOM 0 HE3 MET B 13 -10.622 2.509 -6.949 1.00 0.00 H new ATOM 1209 N ILE B 14 -6.798 2.371 -3.773 1.00 0.00 N ATOM 1210 CA ILE B 14 -6.208 3.582 -4.308 1.00 0.00 C ATOM 1211 C ILE B 14 -5.695 3.344 -5.728 1.00 0.00 C ATOM 1212 O ILE B 14 -4.876 2.455 -5.960 1.00 0.00 O ATOM 1213 CB ILE B 14 -5.057 4.075 -3.405 1.00 0.00 C ATOM 1214 CG1 ILE B 14 -4.291 5.228 -4.064 1.00 0.00 C ATOM 1215 CG2 ILE B 14 -4.114 2.929 -3.071 1.00 0.00 C ATOM 1216 CD1 ILE B 14 -5.181 6.349 -4.554 1.00 0.00 C ATOM 0 H ILE B 14 -6.131 1.617 -3.611 1.00 0.00 H new ATOM 0 HA ILE B 14 -6.980 4.351 -4.337 1.00 0.00 H new ATOM 0 HB ILE B 14 -5.493 4.449 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -3.574 5.632 -3.349 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -3.717 4.838 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -3.309 3.294 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -4.664 2.146 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -3.693 2.524 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -4.568 7.128 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -5.881 5.961 -5.294 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -5.736 6.767 -3.714 1.00 0.00 H new ATOM 1228 N GLY B 15 -6.187 4.139 -6.673 1.00 0.00 N ATOM 1229 CA GLY B 15 -5.774 3.994 -8.058 1.00 0.00 C ATOM 1230 C GLY B 15 -6.956 4.019 -9.009 1.00 0.00 C ATOM 1231 O GLY B 15 -7.530 5.079 -9.268 1.00 0.00 O ATOM 0 H GLY B 15 -6.865 4.882 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.084 4.797 -8.316 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -5.232 3.056 -8.178 1.00 0.00 H new ATOM 1235 N ASP B 16 -7.326 2.850 -9.526 1.00 0.00 N ATOM 1236 CA ASP B 16 -8.453 2.746 -10.450 1.00 0.00 C ATOM 1237 C ASP B 16 -9.006 1.319 -10.517 1.00 0.00 C ATOM 1238 O ASP B 16 -9.812 1.006 -11.393 1.00 0.00 O ATOM 1239 CB ASP B 16 -8.031 3.202 -11.848 1.00 0.00 C ATOM 1240 CG ASP B 16 -9.125 3.975 -12.559 1.00 0.00 C ATOM 1241 OD1 ASP B 16 -9.691 4.904 -11.945 1.00 0.00 O ATOM 1242 OD2 ASP B 16 -9.414 3.653 -13.731 1.00 0.00 O ATOM 0 H ASP B 16 -6.864 1.964 -9.322 1.00 0.00 H new ATOM 0 HA ASP B 16 -9.245 3.395 -10.075 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -7.141 3.826 -11.770 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -7.759 2.331 -12.444 1.00 0.00 H new ATOM 1247 N GLU B 17 -8.574 0.461 -9.586 1.00 0.00 N ATOM 1248 CA GLU B 17 -9.019 -0.936 -9.528 1.00 0.00 C ATOM 1249 C GLU B 17 -7.992 -1.779 -8.775 1.00 0.00 C ATOM 1250 O GLU B 17 -7.394 -2.697 -9.336 1.00 0.00 O ATOM 1251 CB GLU B 17 -9.232 -1.512 -10.935 1.00 0.00 C ATOM 1252 CG GLU B 17 -10.692 -1.576 -11.352 1.00 0.00 C ATOM 1253 CD GLU B 17 -11.258 -2.981 -11.276 1.00 0.00 C ATOM 1254 OE1 GLU B 17 -11.774 -3.355 -10.202 1.00 0.00 O ATOM 1255 OE2 GLU B 17 -11.185 -3.706 -12.290 1.00 0.00 O ATOM 0 H GLU B 17 -7.909 0.714 -8.855 1.00 0.00 H new ATOM 0 HA GLU B 17 -9.972 -0.964 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -8.684 -0.904 -11.654 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -8.807 -2.515 -10.976 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -11.278 -0.917 -10.712 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -10.792 -1.202 -12.371 1.00 0.00 H new ATOM 1262 N VAL B 18 -7.777 -1.448 -7.507 1.00 0.00 N ATOM 1263 CA VAL B 18 -6.812 -2.154 -6.689 1.00 0.00 C ATOM 1264 C VAL B 18 -7.477 -2.829 -5.482 1.00 0.00 C ATOM 1265 O VAL B 18 -8.671 -3.126 -5.506 1.00 0.00 O ATOM 1266 CB VAL B 18 -5.723 -1.178 -6.212 1.00 0.00 C ATOM 1267 CG1 VAL B 18 -5.080 -0.473 -7.399 1.00 0.00 C ATOM 1268 CG2 VAL B 18 -6.296 -0.168 -5.227 1.00 0.00 C ATOM 0 H VAL B 18 -8.263 -0.691 -7.026 1.00 0.00 H new ATOM 0 HA VAL B 18 -6.363 -2.937 -7.300 1.00 0.00 H new ATOM 0 HB VAL B 18 -4.952 -1.751 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -4.312 0.213 -7.042 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -4.627 -1.212 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -5.840 0.085 -7.946 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -5.508 0.512 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.090 0.401 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -6.700 -0.693 -4.362 1.00 0.00 H new ATOM 1278 N THR B 19 -6.690 -3.064 -4.429 1.00 0.00 N ATOM 1279 CA THR B 19 -7.174 -3.697 -3.204 1.00 0.00 C ATOM 1280 C THR B 19 -5.988 -4.073 -2.322 1.00 0.00 C ATOM 1281 O THR B 19 -5.295 -5.050 -2.591 1.00 0.00 O ATOM 1282 CB THR B 19 -8.007 -4.944 -3.520 1.00 0.00 C ATOM 1283 OG1 THR B 19 -7.713 -5.436 -4.816 1.00 0.00 O ATOM 1284 CG2 THR B 19 -9.499 -4.701 -3.449 1.00 0.00 C ATOM 0 H THR B 19 -5.700 -2.820 -4.404 1.00 0.00 H new ATOM 0 HA THR B 19 -7.813 -2.988 -2.677 1.00 0.00 H new ATOM 0 HB THR B 19 -7.735 -5.670 -2.754 1.00 0.00 H new ATOM 0 HG1 THR B 19 -8.257 -4.960 -5.478 1.00 0.00 H new ATOM 0 HG21 THR B 19 -10.030 -5.624 -3.683 1.00 0.00 H new ATOM 0 HG22 THR B 19 -9.767 -4.374 -2.444 1.00 0.00 H new ATOM 0 HG23 THR B 19 -9.777 -3.930 -4.168 1.00 0.00 H new ATOM 1292 N VAL B 20 -5.744 -3.289 -1.279 1.00 0.00 N ATOM 1293 CA VAL B 20 -4.622 -3.552 -0.384 1.00 0.00 C ATOM 1294 C VAL B 20 -5.087 -3.800 1.051 1.00 0.00 C ATOM 1295 O VAL B 20 -5.558 -2.888 1.728 1.00 0.00 O ATOM 1296 CB VAL B 20 -3.622 -2.379 -0.387 1.00 0.00 C ATOM 1297 CG1 VAL B 20 -2.378 -2.728 0.416 1.00 0.00 C ATOM 1298 CG2 VAL B 20 -3.254 -1.992 -1.811 1.00 0.00 C ATOM 0 H VAL B 20 -6.303 -2.472 -1.033 1.00 0.00 H new ATOM 0 HA VAL B 20 -4.132 -4.451 -0.757 1.00 0.00 H new ATOM 0 HB VAL B 20 -4.101 -1.522 0.086 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -1.686 -1.886 0.400 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -2.659 -2.947 1.446 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -1.896 -3.602 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -2.547 -1.162 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -2.798 -2.845 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -4.152 -1.691 -2.350 1.00 0.00 H new ATOM 1308 N THR B 21 -4.939 -5.039 1.510 1.00 0.00 N ATOM 1309 CA THR B 21 -5.331 -5.405 2.868 1.00 0.00 C ATOM 1310 C THR B 21 -4.141 -5.287 3.818 1.00 0.00 C ATOM 1311 O THR B 21 -3.169 -6.035 3.706 1.00 0.00 O ATOM 1312 CB THR B 21 -5.883 -6.832 2.896 1.00 0.00 C ATOM 1313 OG1 THR B 21 -6.515 -7.149 1.668 1.00 0.00 O ATOM 1314 CG2 THR B 21 -6.889 -7.063 4.003 1.00 0.00 C ATOM 0 H THR B 21 -4.551 -5.807 0.962 1.00 0.00 H new ATOM 0 HA THR B 21 -6.111 -4.718 3.197 1.00 0.00 H new ATOM 0 HB THR B 21 -5.019 -7.473 3.073 1.00 0.00 H new ATOM 0 HG1 THR B 21 -6.860 -8.066 1.705 1.00 0.00 H new ATOM 0 HG21 THR B 21 -7.240 -8.094 3.966 1.00 0.00 H new ATOM 0 HG22 THR B 21 -6.418 -6.874 4.968 1.00 0.00 H new ATOM 0 HG23 THR B 21 -7.734 -6.387 3.874 1.00 0.00 H new ATOM 1322 N VAL B 22 -4.217 -4.336 4.744 1.00 0.00 N ATOM 1323 CA VAL B 22 -3.140 -4.113 5.703 1.00 0.00 C ATOM 1324 C VAL B 22 -3.255 -5.039 6.912 1.00 0.00 C ATOM 1325 O VAL B 22 -3.429 -4.583 8.043 1.00 0.00 O ATOM 1326 CB VAL B 22 -3.118 -2.651 6.189 1.00 0.00 C ATOM 1327 CG1 VAL B 22 -2.790 -1.710 5.041 1.00 0.00 C ATOM 1328 CG2 VAL B 22 -4.449 -2.282 6.827 1.00 0.00 C ATOM 0 H VAL B 22 -5.013 -3.707 4.851 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.210 -4.334 5.179 1.00 0.00 H new ATOM 0 HB VAL B 22 -2.338 -2.550 6.944 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -2.779 -0.682 5.405 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.811 -1.961 4.633 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.545 -1.811 4.261 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -4.416 -1.246 7.165 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.248 -2.400 6.095 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.638 -2.935 7.679 1.00 0.00 H new ATOM 1338 N LEU B 23 -3.153 -6.342 6.665 1.00 0.00 N ATOM 1339 CA LEU B 23 -3.239 -7.341 7.730 1.00 0.00 C ATOM 1340 C LEU B 23 -2.394 -6.932 8.937 1.00 0.00 C ATOM 1341 O LEU B 23 -1.187 -6.725 8.819 1.00 0.00 O ATOM 1342 CB LEU B 23 -2.778 -8.704 7.209 1.00 0.00 C ATOM 1343 CG LEU B 23 -3.677 -9.883 7.583 1.00 0.00 C ATOM 1344 CD1 LEU B 23 -3.723 -10.059 9.094 1.00 0.00 C ATOM 1345 CD2 LEU B 23 -5.078 -9.684 7.023 1.00 0.00 C ATOM 0 H LEU B 23 -3.010 -6.733 5.734 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.279 -7.409 8.048 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -2.705 -8.654 6.123 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -1.774 -8.899 7.587 1.00 0.00 H new ATOM 0 HG LEU B 23 -3.259 -10.789 7.145 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -4.367 -10.902 9.343 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -2.717 -10.248 9.469 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -4.118 -9.153 9.554 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -5.704 -10.533 7.299 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -5.507 -8.769 7.432 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -5.028 -9.608 5.937 1.00 0.00 H new ATOM 1357 N GLY B 24 -3.038 -6.812 10.096 1.00 0.00 N ATOM 1358 CA GLY B 24 -2.328 -6.423 11.302 1.00 0.00 C ATOM 1359 C GLY B 24 -1.982 -7.601 12.194 1.00 0.00 C ATOM 1360 O GLY B 24 -1.147 -7.482 13.090 1.00 0.00 O ATOM 0 H GLY B 24 -4.037 -6.977 10.221 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -1.411 -5.903 11.025 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -2.938 -5.716 11.864 1.00 0.00 H new ATOM 1364 N VAL B 25 -2.621 -8.741 11.952 1.00 0.00 N ATOM 1365 CA VAL B 25 -2.370 -9.936 12.741 1.00 0.00 C ATOM 1366 C VAL B 25 -1.176 -10.701 12.184 1.00 0.00 C ATOM 1367 O VAL B 25 -1.144 -11.034 11.000 1.00 0.00 O ATOM 1368 CB VAL B 25 -3.597 -10.870 12.770 1.00 0.00 C ATOM 1369 CG1 VAL B 25 -3.541 -11.788 13.982 1.00 0.00 C ATOM 1370 CG2 VAL B 25 -4.892 -10.067 12.762 1.00 0.00 C ATOM 0 H VAL B 25 -3.316 -8.860 11.215 1.00 0.00 H new ATOM 0 HA VAL B 25 -2.159 -9.609 13.759 1.00 0.00 H new ATOM 0 HB VAL B 25 -3.577 -11.486 11.871 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -4.415 -12.440 13.986 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -2.636 -12.394 13.938 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -3.532 -11.189 14.892 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -5.743 -10.748 12.783 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -4.924 -9.420 13.638 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -4.937 -9.458 11.859 1.00 0.00 H new ATOM 1380 N LYS B 26 -0.193 -10.977 13.040 1.00 0.00 N ATOM 1381 CA LYS B 26 1.006 -11.699 12.626 1.00 0.00 C ATOM 1382 C LYS B 26 1.995 -11.809 13.785 1.00 0.00 C ATOM 1383 O LYS B 26 1.870 -11.109 14.789 1.00 0.00 O ATOM 1384 CB LYS B 26 1.674 -10.996 11.441 1.00 0.00 C ATOM 1385 CG LYS B 26 2.430 -11.939 10.517 1.00 0.00 C ATOM 1386 CD LYS B 26 1.535 -13.058 10.005 1.00 0.00 C ATOM 1387 CE LYS B 26 1.979 -14.415 10.529 1.00 0.00 C ATOM 1388 NZ LYS B 26 1.101 -14.901 11.629 1.00 0.00 N ATOM 0 H LYS B 26 -0.205 -10.711 14.025 1.00 0.00 H new ATOM 0 HA LYS B 26 0.708 -12.702 12.321 1.00 0.00 H new ATOM 0 HB2 LYS B 26 0.912 -10.471 10.865 1.00 0.00 H new ATOM 0 HB3 LYS B 26 2.364 -10.242 11.819 1.00 0.00 H new ATOM 0 HG2 LYS B 26 2.831 -11.378 9.673 1.00 0.00 H new ATOM 0 HG3 LYS B 26 3.280 -12.367 11.049 1.00 0.00 H new ATOM 0 HD2 LYS B 26 0.505 -12.869 10.309 1.00 0.00 H new ATOM 0 HD3 LYS B 26 1.549 -13.066 8.915 1.00 0.00 H new ATOM 0 HE2 LYS B 26 1.973 -15.138 9.714 1.00 0.00 H new ATOM 0 HE3 LYS B 26 3.006 -14.347 10.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 0.995 -15.933 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 1.527 -14.659 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 0.167 -14.451 11.552 1.00 0.00 H new ATOM 1402 N GLY B 27 2.979 -12.691 13.636 1.00 0.00 N ATOM 1403 CA GLY B 27 3.977 -12.874 14.676 1.00 0.00 C ATOM 1404 C GLY B 27 5.185 -11.975 14.488 1.00 0.00 C ATOM 1405 O GLY B 27 5.986 -12.190 13.579 1.00 0.00 O ATOM 0 H GLY B 27 3.103 -13.282 12.814 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.526 -12.672 15.647 1.00 0.00 H new ATOM 0 HA3 GLY B 27 4.301 -13.915 14.685 1.00 0.00 H new ATOM 1409 N ASN B 28 5.311 -10.963 15.348 1.00 0.00 N ATOM 1410 CA ASN B 28 6.426 -10.018 15.278 1.00 0.00 C ATOM 1411 C ASN B 28 6.357 -9.195 13.995 1.00 0.00 C ATOM 1412 O ASN B 28 6.073 -7.997 14.027 1.00 0.00 O ATOM 1413 CB ASN B 28 7.765 -10.756 15.358 1.00 0.00 C ATOM 1414 CG ASN B 28 8.027 -11.329 16.738 1.00 0.00 C ATOM 1415 OD1 ASN B 28 7.193 -12.045 17.294 1.00 0.00 O ATOM 1416 ND2 ASN B 28 9.190 -11.017 17.298 1.00 0.00 N ATOM 0 H ASN B 28 4.652 -10.777 16.104 1.00 0.00 H new ATOM 0 HA ASN B 28 6.349 -9.342 16.129 1.00 0.00 H new ATOM 0 HB2 ASN B 28 7.777 -11.562 14.624 1.00 0.00 H new ATOM 0 HB3 ASN B 28 8.571 -10.071 15.093 1.00 0.00 H new ATOM 0 HD21 ASN B 28 9.422 -11.374 18.225 1.00 0.00 H new ATOM 0 HD22 ASN B 28 9.852 -10.420 16.801 1.00 0.00 H new ATOM 1423 N GLN B 29 6.601 -9.851 12.867 1.00 0.00 N ATOM 1424 CA GLN B 29 6.552 -9.192 11.568 1.00 0.00 C ATOM 1425 C GLN B 29 5.116 -9.172 11.058 1.00 0.00 C ATOM 1426 O GLN B 29 4.404 -10.168 11.174 1.00 0.00 O ATOM 1427 CB GLN B 29 7.458 -9.917 10.570 1.00 0.00 C ATOM 1428 CG GLN B 29 8.776 -9.204 10.318 1.00 0.00 C ATOM 1429 CD GLN B 29 9.741 -10.037 9.496 1.00 0.00 C ATOM 1430 OE1 GLN B 29 10.240 -9.591 8.463 1.00 0.00 O ATOM 1431 NE2 GLN B 29 10.007 -11.256 9.951 1.00 0.00 N ATOM 0 H GLN B 29 6.836 -10.843 12.826 1.00 0.00 H new ATOM 0 HA GLN B 29 6.908 -8.167 11.675 1.00 0.00 H new ATOM 0 HB2 GLN B 29 7.663 -10.921 10.941 1.00 0.00 H new ATOM 0 HB3 GLN B 29 6.928 -10.028 9.624 1.00 0.00 H new ATOM 0 HG2 GLN B 29 8.583 -8.263 9.802 1.00 0.00 H new ATOM 0 HG3 GLN B 29 9.239 -8.955 11.273 1.00 0.00 H new ATOM 0 HE21 GLN B 29 9.571 -11.585 10.812 1.00 0.00 H new ATOM 0 HE22 GLN B 29 10.648 -11.863 9.439 1.00 0.00 H new ATOM 1440 N VAL B 30 4.682 -8.040 10.512 1.00 0.00 N ATOM 1441 CA VAL B 30 3.316 -7.927 10.019 1.00 0.00 C ATOM 1442 C VAL B 30 3.228 -8.265 8.541 1.00 0.00 C ATOM 1443 O VAL B 30 3.851 -7.612 7.703 1.00 0.00 O ATOM 1444 CB VAL B 30 2.743 -6.515 10.248 1.00 0.00 C ATOM 1445 CG1 VAL B 30 1.234 -6.516 10.061 1.00 0.00 C ATOM 1446 CG2 VAL B 30 3.114 -6.002 11.632 1.00 0.00 C ATOM 0 H VAL B 30 5.249 -7.199 10.401 1.00 0.00 H new ATOM 0 HA VAL B 30 2.724 -8.645 10.586 1.00 0.00 H new ATOM 0 HB VAL B 30 3.180 -5.843 9.509 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.846 -5.511 10.227 1.00 0.00 H new ATOM 0 HG12 VAL B 30 0.993 -6.835 9.047 1.00 0.00 H new ATOM 0 HG13 VAL B 30 0.779 -7.202 10.775 1.00 0.00 H new ATOM 0 HG21 VAL B 30 2.700 -5.004 11.773 1.00 0.00 H new ATOM 0 HG22 VAL B 30 2.709 -6.673 12.389 1.00 0.00 H new ATOM 0 HG23 VAL B 30 4.199 -5.961 11.726 1.00 0.00 H new ATOM 1456 N ARG B 31 2.440 -9.290 8.227 1.00 0.00 N ATOM 1457 CA ARG B 31 2.262 -9.712 6.858 1.00 0.00 C ATOM 1458 C ARG B 31 1.207 -8.855 6.175 1.00 0.00 C ATOM 1459 O ARG B 31 0.008 -9.084 6.326 1.00 0.00 O ATOM 1460 CB ARG B 31 1.856 -11.187 6.803 1.00 0.00 C ATOM 1461 CG ARG B 31 3.017 -12.131 6.536 1.00 0.00 C ATOM 1462 CD ARG B 31 2.527 -13.511 6.128 1.00 0.00 C ATOM 1463 NE ARG B 31 3.542 -14.540 6.344 1.00 0.00 N ATOM 1464 CZ ARG B 31 3.336 -15.839 6.137 1.00 0.00 C ATOM 1465 NH1 ARG B 31 2.155 -16.271 5.710 1.00 0.00 N ATOM 1466 NH2 ARG B 31 4.312 -16.708 6.358 1.00 0.00 N ATOM 0 H ARG B 31 1.918 -9.839 8.910 1.00 0.00 H new ATOM 0 HA ARG B 31 3.209 -9.590 6.333 1.00 0.00 H new ATOM 0 HB2 ARG B 31 1.387 -11.461 7.748 1.00 0.00 H new ATOM 0 HB3 ARG B 31 1.105 -11.319 6.024 1.00 0.00 H new ATOM 0 HG2 ARG B 31 3.649 -11.720 5.748 1.00 0.00 H new ATOM 0 HG3 ARG B 31 3.635 -12.212 7.430 1.00 0.00 H new ATOM 0 HD2 ARG B 31 1.632 -13.760 6.697 1.00 0.00 H new ATOM 0 HD3 ARG B 31 2.243 -13.498 5.076 1.00 0.00 H new ATOM 0 HE ARG B 31 4.462 -14.246 6.672 1.00 0.00 H new ATOM 0 HH11 ARG B 31 1.400 -15.607 5.539 1.00 0.00 H new ATOM 0 HH12 ARG B 31 2.003 -17.267 5.553 1.00 0.00 H new ATOM 0 HH21 ARG B 31 5.221 -16.382 6.687 1.00 0.00 H new ATOM 0 HH22 ARG B 31 4.154 -17.703 6.199 1.00 0.00 H new ATOM 1480 N ILE B 32 1.668 -7.864 5.431 1.00 0.00 N ATOM 1481 CA ILE B 32 0.783 -6.955 4.724 1.00 0.00 C ATOM 1482 C ILE B 32 0.538 -7.442 3.302 1.00 0.00 C ATOM 1483 O ILE B 32 1.481 -7.720 2.561 1.00 0.00 O ATOM 1484 CB ILE B 32 1.374 -5.530 4.691 1.00 0.00 C ATOM 1485 CG1 ILE B 32 2.118 -5.235 6.001 1.00 0.00 C ATOM 1486 CG2 ILE B 32 0.276 -4.503 4.451 1.00 0.00 C ATOM 1487 CD1 ILE B 32 1.256 -5.399 7.234 1.00 0.00 C ATOM 0 H ILE B 32 2.660 -7.668 5.301 1.00 0.00 H new ATOM 0 HA ILE B 32 -0.166 -6.930 5.259 1.00 0.00 H new ATOM 0 HB ILE B 32 2.085 -5.465 3.868 1.00 0.00 H new ATOM 0 HG12 ILE B 32 2.979 -5.899 6.078 1.00 0.00 H new ATOM 0 HG13 ILE B 32 2.503 -4.216 5.969 1.00 0.00 H new ATOM 0 HG21 ILE B 32 0.711 -3.504 4.431 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.210 -4.707 3.497 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -0.460 -4.563 5.253 1.00 0.00 H new ATOM 0 HD11 ILE B 32 1.846 -5.175 8.123 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.409 -4.716 7.179 1.00 0.00 H new ATOM 0 HD13 ILE B 32 0.892 -6.425 7.290 1.00 0.00 H new ATOM 1499 N GLY B 33 -0.731 -7.550 2.926 1.00 0.00 N ATOM 1500 CA GLY B 33 -1.069 -8.010 1.593 1.00 0.00 C ATOM 1501 C GLY B 33 -1.487 -6.878 0.682 1.00 0.00 C ATOM 1502 O GLY B 33 -2.533 -6.266 0.883 1.00 0.00 O ATOM 0 H GLY B 33 -1.530 -7.328 3.519 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -0.210 -8.523 1.160 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -1.877 -8.739 1.657 1.00 0.00 H new ATOM 1506 N VAL B 34 -0.666 -6.596 -0.322 1.00 0.00 N ATOM 1507 CA VAL B 34 -0.960 -5.527 -1.263 1.00 0.00 C ATOM 1508 C VAL B 34 -1.402 -6.084 -2.611 1.00 0.00 C ATOM 1509 O VAL B 34 -0.582 -6.554 -3.399 1.00 0.00 O ATOM 1510 CB VAL B 34 0.263 -4.613 -1.473 1.00 0.00 C ATOM 1511 CG1 VAL B 34 -0.105 -3.413 -2.333 1.00 0.00 C ATOM 1512 CG2 VAL B 34 0.832 -4.164 -0.135 1.00 0.00 C ATOM 0 H VAL B 34 0.206 -7.092 -0.504 1.00 0.00 H new ATOM 0 HA VAL B 34 -1.773 -4.942 -0.833 1.00 0.00 H new ATOM 0 HB VAL B 34 1.031 -5.183 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL B 34 0.772 -2.780 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -0.459 -3.757 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -0.892 -2.841 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL B 34 1.695 -3.520 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.071 -3.613 0.418 1.00 0.00 H new ATOM 0 HG23 VAL B 34 1.139 -5.037 0.441 1.00 0.00 H new ATOM 1522 N ASN B 35 -2.703 -6.024 -2.869 1.00 0.00 N ATOM 1523 CA ASN B 35 -3.251 -6.516 -4.126 1.00 0.00 C ATOM 1524 C ASN B 35 -3.468 -5.362 -5.098 1.00 0.00 C ATOM 1525 O ASN B 35 -4.376 -4.549 -4.927 1.00 0.00 O ATOM 1526 CB ASN B 35 -4.565 -7.264 -3.890 1.00 0.00 C ATOM 1527 CG ASN B 35 -4.675 -8.520 -4.732 1.00 0.00 C ATOM 1528 OD1 ASN B 35 -4.865 -9.617 -4.209 1.00 0.00 O ATOM 1529 ND2 ASN B 35 -4.556 -8.363 -6.046 1.00 0.00 N ATOM 0 H ASN B 35 -3.396 -5.641 -2.226 1.00 0.00 H new ATOM 0 HA ASN B 35 -2.534 -7.212 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.645 -7.529 -2.836 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.402 -6.603 -4.117 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -4.622 -9.172 -6.664 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -4.399 -7.434 -6.436 1.00 0.00 H new ATOM 1536 N ALA B 36 -2.617 -5.299 -6.112 1.00 0.00 N ATOM 1537 CA ALA B 36 -2.698 -4.244 -7.116 1.00 0.00 C ATOM 1538 C ALA B 36 -2.498 -4.793 -8.527 1.00 0.00 C ATOM 1539 O ALA B 36 -1.735 -5.737 -8.734 1.00 0.00 O ATOM 1540 CB ALA B 36 -1.672 -3.160 -6.822 1.00 0.00 C ATOM 0 H ALA B 36 -1.861 -5.967 -6.263 1.00 0.00 H new ATOM 0 HA ALA B 36 -3.698 -3.814 -7.067 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -1.742 -2.378 -7.578 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.866 -2.732 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -0.671 -3.592 -6.838 1.00 0.00 H new ATOM 1546 N PRO B 37 -3.186 -4.201 -9.520 1.00 0.00 N ATOM 1547 CA PRO B 37 -3.089 -4.623 -10.917 1.00 0.00 C ATOM 1548 C PRO B 37 -1.888 -4.007 -11.627 1.00 0.00 C ATOM 1549 O PRO B 37 -1.391 -2.955 -11.225 1.00 0.00 O ATOM 1550 CB PRO B 37 -4.387 -4.089 -11.512 1.00 0.00 C ATOM 1551 CG PRO B 37 -4.640 -2.831 -10.756 1.00 0.00 C ATOM 1552 CD PRO B 37 -4.120 -3.067 -9.359 1.00 0.00 C ATOM 0 HA PRO B 37 -2.954 -5.700 -11.020 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -4.288 -3.899 -12.581 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -5.204 -4.800 -11.389 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -4.132 -1.987 -11.223 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -5.704 -2.594 -10.740 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.615 -2.185 -8.965 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -4.927 -3.308 -8.667 1.00 0.00 H new ATOM 1560 N LYS B 38 -1.430 -4.664 -12.686 1.00 0.00 N ATOM 1561 CA LYS B 38 -0.291 -4.175 -13.454 1.00 0.00 C ATOM 1562 C LYS B 38 -0.698 -3.035 -14.389 1.00 0.00 C ATOM 1563 O LYS B 38 0.145 -2.457 -15.075 1.00 0.00 O ATOM 1564 CB LYS B 38 0.332 -5.314 -14.264 1.00 0.00 C ATOM 1565 CG LYS B 38 -0.641 -5.981 -15.223 1.00 0.00 C ATOM 1566 CD LYS B 38 -0.499 -7.495 -15.200 1.00 0.00 C ATOM 1567 CE LYS B 38 -0.696 -8.096 -16.583 1.00 0.00 C ATOM 1568 NZ LYS B 38 -1.999 -8.807 -16.699 1.00 0.00 N ATOM 0 H LYS B 38 -1.829 -5.536 -13.032 1.00 0.00 H new ATOM 0 HA LYS B 38 0.445 -3.790 -12.748 1.00 0.00 H new ATOM 0 HB2 LYS B 38 1.179 -4.925 -14.830 1.00 0.00 H new ATOM 0 HB3 LYS B 38 0.725 -6.064 -13.578 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -1.662 -5.706 -14.956 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -0.466 -5.614 -16.234 1.00 0.00 H new ATOM 0 HD2 LYS B 38 0.488 -7.763 -14.823 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -1.229 -7.919 -14.511 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -0.645 -7.306 -17.333 1.00 0.00 H new ATOM 0 HE3 LYS B 38 0.117 -8.790 -16.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -2.095 -9.202 -17.656 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -2.038 -9.577 -16.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -2.776 -8.139 -16.521 1.00 0.00 H new ATOM 1582 N GLU B 39 -1.991 -2.716 -14.418 1.00 0.00 N ATOM 1583 CA GLU B 39 -2.496 -1.649 -15.275 1.00 0.00 C ATOM 1584 C GLU B 39 -2.050 -0.279 -14.771 1.00 0.00 C ATOM 1585 O GLU B 39 -1.650 0.580 -15.557 1.00 0.00 O ATOM 1586 CB GLU B 39 -4.023 -1.708 -15.351 1.00 0.00 C ATOM 1587 CG GLU B 39 -4.565 -1.618 -16.769 1.00 0.00 C ATOM 1588 CD GLU B 39 -5.735 -0.661 -16.887 1.00 0.00 C ATOM 1589 OE1 GLU B 39 -5.495 0.558 -17.006 1.00 0.00 O ATOM 1590 OE2 GLU B 39 -6.892 -1.132 -16.859 1.00 0.00 O ATOM 0 H GLU B 39 -2.706 -3.181 -13.858 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.083 -1.796 -16.273 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -4.365 -2.639 -14.898 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -4.440 -0.893 -14.759 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -3.768 -1.296 -17.439 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -4.877 -2.609 -17.098 1.00 0.00 H new ATOM 1597 N VAL B 40 -2.119 -0.080 -13.458 1.00 0.00 N ATOM 1598 CA VAL B 40 -1.717 1.189 -12.861 1.00 0.00 C ATOM 1599 C VAL B 40 -0.242 1.162 -12.473 1.00 0.00 C ATOM 1600 O VAL B 40 0.318 0.101 -12.199 1.00 0.00 O ATOM 1601 CB VAL B 40 -2.566 1.530 -11.618 1.00 0.00 C ATOM 1602 CG1 VAL B 40 -2.331 2.971 -11.193 1.00 0.00 C ATOM 1603 CG2 VAL B 40 -4.042 1.284 -11.896 1.00 0.00 C ATOM 0 H VAL B 40 -2.448 -0.777 -12.790 1.00 0.00 H new ATOM 0 HA VAL B 40 -1.881 1.960 -13.614 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.260 0.878 -10.800 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -2.937 3.195 -10.315 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -1.277 3.112 -10.952 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.610 3.640 -12.007 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -4.625 1.530 -11.009 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -4.365 1.910 -12.727 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -4.194 0.235 -12.151 1.00 0.00 H new ATOM 1613 N SER B 41 0.385 2.334 -12.459 1.00 0.00 N ATOM 1614 CA SER B 41 1.798 2.439 -12.113 1.00 0.00 C ATOM 1615 C SER B 41 2.003 2.304 -10.609 1.00 0.00 C ATOM 1616 O SER B 41 1.699 3.222 -9.847 1.00 0.00 O ATOM 1617 CB SER B 41 2.365 3.774 -12.598 1.00 0.00 C ATOM 1618 OG SER B 41 3.748 3.879 -12.303 1.00 0.00 O ATOM 0 H SER B 41 -0.062 3.223 -12.683 1.00 0.00 H new ATOM 0 HA SER B 41 2.328 1.625 -12.607 1.00 0.00 H new ATOM 0 HB2 SER B 41 2.211 3.869 -13.673 1.00 0.00 H new ATOM 0 HB3 SER B 41 1.826 4.595 -12.125 1.00 0.00 H new ATOM 0 HG SER B 41 4.087 4.741 -12.625 1.00 0.00 H new ATOM 1624 N VAL B 42 2.519 1.154 -10.184 1.00 0.00 N ATOM 1625 CA VAL B 42 2.759 0.908 -8.768 1.00 0.00 C ATOM 1626 C VAL B 42 4.234 0.610 -8.493 1.00 0.00 C ATOM 1627 O VAL B 42 4.789 -0.353 -9.022 1.00 0.00 O ATOM 1628 CB VAL B 42 1.905 -0.268 -8.255 1.00 0.00 C ATOM 1629 CG1 VAL B 42 2.291 -1.562 -8.958 1.00 0.00 C ATOM 1630 CG2 VAL B 42 2.039 -0.410 -6.747 1.00 0.00 C ATOM 0 H VAL B 42 2.778 0.382 -10.798 1.00 0.00 H new ATOM 0 HA VAL B 42 2.476 1.818 -8.239 1.00 0.00 H new ATOM 0 HB VAL B 42 0.860 -0.058 -8.485 1.00 0.00 H new ATOM 0 HG11 VAL B 42 1.676 -2.379 -8.580 1.00 0.00 H new ATOM 0 HG12 VAL B 42 2.133 -1.454 -10.031 1.00 0.00 H new ATOM 0 HG13 VAL B 42 3.342 -1.781 -8.767 1.00 0.00 H new ATOM 0 HG21 VAL B 42 1.429 -1.246 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL B 42 3.082 -0.594 -6.490 1.00 0.00 H new ATOM 0 HG23 VAL B 42 1.702 0.507 -6.264 1.00 0.00 H new ATOM 1640 N HIS B 43 4.861 1.437 -7.658 1.00 0.00 N ATOM 1641 CA HIS B 43 6.265 1.255 -7.308 1.00 0.00 C ATOM 1642 C HIS B 43 6.448 1.264 -5.792 1.00 0.00 C ATOM 1643 O HIS B 43 5.897 2.119 -5.099 1.00 0.00 O ATOM 1644 CB HIS B 43 7.118 2.354 -7.944 1.00 0.00 C ATOM 1645 CG HIS B 43 7.175 2.277 -9.438 1.00 0.00 C ATOM 1646 ND1 HIS B 43 6.085 1.958 -10.218 1.00 0.00 N ATOM 1647 CD2 HIS B 43 8.202 2.481 -10.298 1.00 0.00 C ATOM 1648 CE1 HIS B 43 6.435 1.967 -11.492 1.00 0.00 C ATOM 1649 NE2 HIS B 43 7.715 2.282 -11.567 1.00 0.00 N ATOM 0 H HIS B 43 4.417 2.240 -7.212 1.00 0.00 H new ATOM 0 HA HIS B 43 6.590 0.288 -7.692 1.00 0.00 H new ATOM 0 HB2 HIS B 43 6.720 3.326 -7.653 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.131 2.293 -7.546 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.214 2.750 -10.035 1.00 0.00 H new ATOM 0 HE1 HIS B 43 5.786 1.753 -12.328 1.00 0.00 H new ATOM 0 HE2 HIS B 43 8.255 2.364 -12.428 1.00 0.00 H new ATOM 1657 N ARG B 44 7.222 0.312 -5.281 1.00 0.00 N ATOM 1658 CA ARG B 44 7.469 0.224 -3.846 1.00 0.00 C ATOM 1659 C ARG B 44 8.792 -0.478 -3.553 1.00 0.00 C ATOM 1660 O ARG B 44 9.610 0.020 -2.780 1.00 0.00 O ATOM 1661 CB ARG B 44 6.321 -0.514 -3.153 1.00 0.00 C ATOM 1662 CG ARG B 44 6.074 -1.911 -3.700 1.00 0.00 C ATOM 1663 CD ARG B 44 4.823 -2.532 -3.101 1.00 0.00 C ATOM 1664 NE ARG B 44 3.712 -2.552 -4.050 1.00 0.00 N ATOM 1665 CZ ARG B 44 3.581 -3.455 -5.020 1.00 0.00 C ATOM 1666 NH1 ARG B 44 4.489 -4.411 -5.173 1.00 0.00 N ATOM 1667 NH2 ARG B 44 2.540 -3.401 -5.839 1.00 0.00 N ATOM 0 H ARG B 44 7.687 -0.406 -5.836 1.00 0.00 H new ATOM 0 HA ARG B 44 7.529 1.240 -3.456 1.00 0.00 H new ATOM 0 HB2 ARG B 44 6.537 -0.584 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG B 44 5.409 0.073 -3.256 1.00 0.00 H new ATOM 0 HG2 ARG B 44 5.975 -1.866 -4.785 1.00 0.00 H new ATOM 0 HG3 ARG B 44 6.935 -2.544 -3.485 1.00 0.00 H new ATOM 0 HD2 ARG B 44 5.043 -3.550 -2.779 1.00 0.00 H new ATOM 0 HD3 ARG B 44 4.531 -1.972 -2.213 1.00 0.00 H new ATOM 0 HE ARG B 44 2.995 -1.832 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG B 44 5.292 -4.457 -4.546 1.00 0.00 H new ATOM 0 HH12 ARG B 44 4.384 -5.100 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG B 44 1.840 -2.668 -5.726 1.00 0.00 H new ATOM 0 HH22 ARG B 44 2.439 -4.092 -6.582 1.00 0.00 H new ATOM 1681 N GLU B 45 8.996 -1.636 -4.172 1.00 0.00 N ATOM 1682 CA GLU B 45 10.220 -2.402 -3.972 1.00 0.00 C ATOM 1683 C GLU B 45 10.421 -3.411 -5.099 1.00 0.00 C ATOM 1684 O GLU B 45 9.548 -4.237 -5.369 1.00 0.00 O ATOM 1685 CB GLU B 45 10.179 -3.125 -2.624 1.00 0.00 C ATOM 1686 CG GLU B 45 10.926 -2.397 -1.519 1.00 0.00 C ATOM 1687 CD GLU B 45 12.365 -2.094 -1.889 1.00 0.00 C ATOM 1688 OE1 GLU B 45 12.609 -1.034 -2.503 1.00 0.00 O ATOM 1689 OE2 GLU B 45 13.247 -2.917 -1.566 1.00 0.00 O ATOM 0 H GLU B 45 8.330 -2.064 -4.815 1.00 0.00 H new ATOM 0 HA GLU B 45 11.060 -1.707 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.140 -3.256 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU B 45 10.604 -4.122 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.410 -1.465 -1.290 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.908 -3.003 -0.613 1.00 0.00 H new ATOM 1696 N GLU B 46 11.575 -3.337 -5.753 1.00 0.00 N ATOM 1697 CA GLU B 46 11.891 -4.242 -6.852 1.00 0.00 C ATOM 1698 C GLU B 46 11.798 -5.698 -6.409 1.00 0.00 C ATOM 1699 O GLU B 46 11.022 -6.475 -6.964 1.00 0.00 O ATOM 1700 CB GLU B 46 13.293 -3.950 -7.392 1.00 0.00 C ATOM 1701 CG GLU B 46 13.295 -3.106 -8.656 1.00 0.00 C ATOM 1702 CD GLU B 46 13.575 -3.923 -9.903 1.00 0.00 C ATOM 1703 OE1 GLU B 46 13.109 -5.079 -9.971 1.00 0.00 O ATOM 1704 OE2 GLU B 46 14.260 -3.406 -10.810 1.00 0.00 O ATOM 0 H GLU B 46 12.307 -2.659 -5.541 1.00 0.00 H new ATOM 0 HA GLU B 46 11.160 -4.078 -7.644 1.00 0.00 H new ATOM 0 HB2 GLU B 46 13.870 -3.438 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU B 46 13.799 -4.894 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU B 46 12.329 -2.611 -8.760 1.00 0.00 H new ATOM 0 HG3 GLU B 46 14.046 -2.322 -8.564 1.00 0.00 H new ATOM 1711 N ILE B 47 12.591 -6.062 -5.405 1.00 0.00 N ATOM 1712 CA ILE B 47 12.596 -7.426 -4.890 1.00 0.00 C ATOM 1713 C ILE B 47 11.208 -7.839 -4.408 1.00 0.00 C ATOM 1714 O ILE B 47 10.757 -8.957 -4.666 1.00 0.00 O ATOM 1715 CB ILE B 47 13.606 -7.587 -3.734 1.00 0.00 C ATOM 1716 CG1 ILE B 47 13.672 -9.047 -3.281 1.00 0.00 C ATOM 1717 CG2 ILE B 47 13.233 -6.680 -2.570 1.00 0.00 C ATOM 1718 CD1 ILE B 47 14.756 -9.314 -2.260 1.00 0.00 C ATOM 0 H ILE B 47 13.238 -5.431 -4.933 1.00 0.00 H new ATOM 0 HA ILE B 47 12.895 -8.075 -5.713 1.00 0.00 H new ATOM 0 HB ILE B 47 14.593 -7.294 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE B 47 12.708 -9.332 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE B 47 13.839 -9.682 -4.151 1.00 0.00 H new ATOM 0 HG21 ILE B 47 13.956 -6.807 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE B 47 13.238 -5.642 -2.902 1.00 0.00 H new ATOM 0 HG23 ILE B 47 12.238 -6.941 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE B 47 14.745 -10.369 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE B 47 15.727 -9.061 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE B 47 14.579 -8.705 -1.373 1.00 0.00 H new ATOM 1730 N TYR B 48 10.533 -6.926 -3.710 1.00 0.00 N ATOM 1731 CA TYR B 48 9.192 -7.189 -3.192 1.00 0.00 C ATOM 1732 C TYR B 48 8.329 -7.872 -4.248 1.00 0.00 C ATOM 1733 O TYR B 48 7.822 -8.974 -4.034 1.00 0.00 O ATOM 1734 CB TYR B 48 8.531 -5.885 -2.742 1.00 0.00 C ATOM 1735 CG TYR B 48 8.866 -5.493 -1.319 1.00 0.00 C ATOM 1736 CD1 TYR B 48 10.146 -5.673 -0.811 1.00 0.00 C ATOM 1737 CD2 TYR B 48 7.900 -4.942 -0.486 1.00 0.00 C ATOM 1738 CE1 TYR B 48 10.455 -5.316 0.488 1.00 0.00 C ATOM 1739 CE2 TYR B 48 8.202 -4.582 0.814 1.00 0.00 C ATOM 1740 CZ TYR B 48 9.480 -4.771 1.296 1.00 0.00 C ATOM 1741 OH TYR B 48 9.783 -4.414 2.589 1.00 0.00 O ATOM 0 H TYR B 48 10.894 -5.997 -3.491 1.00 0.00 H new ATOM 0 HA TYR B 48 9.284 -7.855 -2.334 1.00 0.00 H new ATOM 0 HB2 TYR B 48 8.838 -5.082 -3.412 1.00 0.00 H new ATOM 0 HB3 TYR B 48 7.450 -5.984 -2.837 1.00 0.00 H new ATOM 0 HD1 TYR B 48 10.913 -6.099 -1.441 1.00 0.00 H new ATOM 0 HD2 TYR B 48 6.898 -4.793 -0.860 1.00 0.00 H new ATOM 0 HE1 TYR B 48 11.455 -5.463 0.868 1.00 0.00 H new ATOM 0 HE2 TYR B 48 7.440 -4.155 1.449 1.00 0.00 H new ATOM 0 HH TYR B 48 10.726 -4.153 2.644 1.00 0.00 H new ATOM 1751 N GLN B 49 8.176 -7.215 -5.391 1.00 0.00 N ATOM 1752 CA GLN B 49 7.385 -7.764 -6.484 1.00 0.00 C ATOM 1753 C GLN B 49 8.161 -8.855 -7.220 1.00 0.00 C ATOM 1754 O GLN B 49 7.571 -9.703 -7.888 1.00 0.00 O ATOM 1755 CB GLN B 49 6.990 -6.655 -7.463 1.00 0.00 C ATOM 1756 CG GLN B 49 8.151 -5.767 -7.879 1.00 0.00 C ATOM 1757 CD GLN B 49 7.843 -4.948 -9.117 1.00 0.00 C ATOM 1758 OE1 GLN B 49 7.581 -5.496 -10.188 1.00 0.00 O ATOM 1759 NE2 GLN B 49 7.874 -3.628 -8.977 1.00 0.00 N ATOM 0 H GLN B 49 8.589 -6.303 -5.585 1.00 0.00 H new ATOM 0 HA GLN B 49 6.482 -8.205 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN B 49 6.552 -7.107 -8.353 1.00 0.00 H new ATOM 0 HB3 GLN B 49 6.217 -6.037 -7.006 1.00 0.00 H new ATOM 0 HG2 GLN B 49 8.403 -5.096 -7.058 1.00 0.00 H new ATOM 0 HG3 GLN B 49 9.028 -6.386 -8.066 1.00 0.00 H new ATOM 0 HE21 GLN B 49 8.096 -3.216 -8.071 1.00 0.00 H new ATOM 0 HE22 GLN B 49 7.676 -3.026 -9.776 1.00 0.00 H new ATOM 1768 N ARG B 50 9.488 -8.830 -7.088 1.00 0.00 N ATOM 1769 CA ARG B 50 10.345 -9.817 -7.737 1.00 0.00 C ATOM 1770 C ARG B 50 10.141 -11.209 -7.140 1.00 0.00 C ATOM 1771 O ARG B 50 10.566 -12.209 -7.718 1.00 0.00 O ATOM 1772 CB ARG B 50 11.815 -9.411 -7.610 1.00 0.00 C ATOM 1773 CG ARG B 50 12.708 -10.014 -8.683 1.00 0.00 C ATOM 1774 CD ARG B 50 13.128 -8.974 -9.710 1.00 0.00 C ATOM 1775 NE ARG B 50 11.977 -8.332 -10.340 1.00 0.00 N ATOM 1776 CZ ARG B 50 12.067 -7.504 -11.379 1.00 0.00 C ATOM 1777 NH1 ARG B 50 13.251 -7.216 -11.907 1.00 0.00 N ATOM 1778 NH2 ARG B 50 10.970 -6.964 -11.893 1.00 0.00 N ATOM 0 H ARG B 50 9.991 -8.135 -6.536 1.00 0.00 H new ATOM 0 HA ARG B 50 10.070 -9.852 -8.791 1.00 0.00 H new ATOM 0 HB2 ARG B 50 11.888 -8.324 -7.656 1.00 0.00 H new ATOM 0 HB3 ARG B 50 12.184 -9.714 -6.630 1.00 0.00 H new ATOM 0 HG2 ARG B 50 13.594 -10.447 -8.219 1.00 0.00 H new ATOM 0 HG3 ARG B 50 12.180 -10.827 -9.182 1.00 0.00 H new ATOM 0 HD2 ARG B 50 13.746 -8.217 -9.228 1.00 0.00 H new ATOM 0 HD3 ARG B 50 13.743 -9.448 -10.475 1.00 0.00 H new ATOM 0 HE ARG B 50 11.050 -8.529 -9.962 1.00 0.00 H new ATOM 0 HH11 ARG B 50 14.098 -7.630 -11.517 1.00 0.00 H new ATOM 0 HH12 ARG B 50 13.314 -6.581 -12.703 1.00 0.00 H new ATOM 0 HH21 ARG B 50 10.058 -7.183 -11.492 1.00 0.00 H new ATOM 0 HH22 ARG B 50 11.039 -6.330 -12.689 1.00 0.00 H new ATOM 1792 N ILE B 51 9.494 -11.267 -5.980 1.00 0.00 N ATOM 1793 CA ILE B 51 9.239 -12.536 -5.307 1.00 0.00 C ATOM 1794 C ILE B 51 7.743 -12.821 -5.209 1.00 0.00 C ATOM 1795 O ILE B 51 7.326 -13.978 -5.141 1.00 0.00 O ATOM 1796 CB ILE B 51 9.846 -12.552 -3.891 1.00 0.00 C ATOM 1797 CG1 ILE B 51 11.299 -12.076 -3.929 1.00 0.00 C ATOM 1798 CG2 ILE B 51 9.754 -13.946 -3.290 1.00 0.00 C ATOM 1799 CD1 ILE B 51 12.217 -12.998 -4.705 1.00 0.00 C ATOM 0 H ILE B 51 9.136 -10.449 -5.486 1.00 0.00 H new ATOM 0 HA ILE B 51 9.713 -13.311 -5.909 1.00 0.00 H new ATOM 0 HB ILE B 51 9.277 -11.869 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE B 51 11.336 -11.081 -4.374 1.00 0.00 H new ATOM 0 HG13 ILE B 51 11.669 -11.983 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE B 51 10.187 -13.940 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE B 51 8.708 -14.249 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE B 51 10.300 -14.650 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE B 51 13.231 -12.599 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE B 51 12.210 -13.987 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE B 51 11.871 -13.072 -5.736 1.00 0.00 H new ATOM 1811 N GLN B 52 6.939 -11.762 -5.199 1.00 0.00 N ATOM 1812 CA GLN B 52 5.490 -11.902 -5.107 1.00 0.00 C ATOM 1813 C GLN B 52 4.835 -11.704 -6.471 1.00 0.00 C ATOM 1814 O GLN B 52 4.147 -12.591 -6.976 1.00 0.00 O ATOM 1815 CB GLN B 52 4.926 -10.896 -4.100 1.00 0.00 C ATOM 1816 CG GLN B 52 4.175 -11.544 -2.949 1.00 0.00 C ATOM 1817 CD GLN B 52 4.995 -12.606 -2.241 1.00 0.00 C ATOM 1818 OE1 GLN B 52 6.226 -12.568 -2.255 1.00 0.00 O ATOM 1819 NE2 GLN B 52 4.315 -13.561 -1.619 1.00 0.00 N ATOM 0 H GLN B 52 7.267 -10.798 -5.253 1.00 0.00 H new ATOM 0 HA GLN B 52 5.266 -12.912 -4.765 1.00 0.00 H new ATOM 0 HB2 GLN B 52 5.745 -10.299 -3.698 1.00 0.00 H new ATOM 0 HB3 GLN B 52 4.256 -10.211 -4.620 1.00 0.00 H new ATOM 0 HG2 GLN B 52 3.885 -10.776 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN B 52 3.256 -11.992 -3.326 1.00 0.00 H new ATOM 0 HE21 GLN B 52 3.295 -13.553 -1.633 1.00 0.00 H new ATOM 0 HE22 GLN B 52 4.812 -14.303 -1.127 1.00 0.00 H new ATOM 1828 N ALA B 53 5.056 -10.535 -7.063 1.00 0.00 N ATOM 1829 CA ALA B 53 4.489 -10.223 -8.369 1.00 0.00 C ATOM 1830 C ALA B 53 4.990 -11.205 -9.420 1.00 0.00 C ATOM 1831 O ALA B 53 4.213 -11.969 -9.993 1.00 0.00 O ATOM 1832 CB ALA B 53 4.830 -8.796 -8.768 1.00 0.00 C ATOM 0 H ALA B 53 5.623 -9.789 -6.659 1.00 0.00 H new ATOM 0 HA ALA B 53 3.405 -10.315 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA B 53 4.399 -8.579 -9.745 1.00 0.00 H new ATOM 0 HB2 ALA B 53 4.423 -8.105 -8.030 1.00 0.00 H new ATOM 0 HB3 ALA B 53 5.913 -8.680 -8.815 1.00 0.00 H new ATOM 1838 N GLU B 54 6.296 -11.185 -9.660 1.00 0.00 N ATOM 1839 CA GLU B 54 6.909 -12.079 -10.634 1.00 0.00 C ATOM 1840 C GLU B 54 7.787 -13.113 -9.937 1.00 0.00 C ATOM 1841 O GLU B 54 8.749 -12.764 -9.256 1.00 0.00 O ATOM 1842 CB GLU B 54 7.743 -11.285 -11.640 1.00 0.00 C ATOM 1843 CG GLU B 54 8.658 -10.258 -10.995 1.00 0.00 C ATOM 1844 CD GLU B 54 8.215 -8.832 -11.260 1.00 0.00 C ATOM 1845 OE1 GLU B 54 7.614 -8.586 -12.327 1.00 0.00 O ATOM 1846 OE2 GLU B 54 8.470 -7.962 -10.402 1.00 0.00 O ATOM 0 H GLU B 54 6.951 -10.558 -9.193 1.00 0.00 H new ATOM 0 HA GLU B 54 6.111 -12.597 -11.166 1.00 0.00 H new ATOM 0 HB2 GLU B 54 8.345 -11.978 -12.227 1.00 0.00 H new ATOM 0 HB3 GLU B 54 7.073 -10.778 -12.334 1.00 0.00 H new ATOM 0 HG2 GLU B 54 8.690 -10.430 -9.919 1.00 0.00 H new ATOM 0 HG3 GLU B 54 9.672 -10.395 -11.370 1.00 0.00 H new ATOM 1853 N LYS B 55 7.458 -14.384 -10.121 1.00 0.00 N ATOM 1854 CA LYS B 55 8.226 -15.466 -9.517 1.00 0.00 C ATOM 1855 C LYS B 55 9.666 -15.442 -10.019 1.00 0.00 C ATOM 1856 O LYS B 55 9.970 -15.972 -11.088 1.00 0.00 O ATOM 1857 CB LYS B 55 7.583 -16.818 -9.836 1.00 0.00 C ATOM 1858 CG LYS B 55 6.676 -17.336 -8.731 1.00 0.00 C ATOM 1859 CD LYS B 55 6.685 -18.855 -8.669 1.00 0.00 C ATOM 1860 CE LYS B 55 5.286 -19.416 -8.465 1.00 0.00 C ATOM 1861 NZ LYS B 55 5.220 -20.336 -7.296 1.00 0.00 N ATOM 0 H LYS B 55 6.665 -14.692 -10.683 1.00 0.00 H new ATOM 0 HA LYS B 55 8.229 -15.324 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS B 55 7.006 -16.728 -10.756 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.369 -17.550 -10.023 1.00 0.00 H new ATOM 0 HG2 LYS B 55 7.000 -16.930 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.658 -16.984 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS B 55 7.107 -19.255 -9.591 1.00 0.00 H new ATOM 0 HD3 LYS B 55 7.331 -19.183 -7.855 1.00 0.00 H new ATOM 0 HE2 LYS B 55 4.584 -18.595 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS B 55 4.974 -19.948 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 4.250 -20.696 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 5.871 -21.133 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 5.493 -19.822 -6.434 1.00 0.00 H new