USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 THR OG1 : rot 8:sc= 1.8 USER MOD Set 1.2: A 44 THR OG1 : rot 116:sc= 1.27 USER MOD Set 2.1: A 25 TYR OH : rot 145:sc= 0.15 USER MOD Set 2.2: A 39 ASN :FLIP amide:sc= -2.95! C(o=-4.3!,f=-2.8!) USER MOD Single : A 11 GLN : amide:sc= 0.317 K(o=0.32,f=-2.8) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.784 USER MOD Single : A 32 GLN : amide:sc= 1.1 K(o=1.1,f=-1.6) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0395 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= 0.222 (180deg=-0.661) USER MOD Single : A 41 MET CE :methyl -171:sc= -0.1 (180deg=-0.256) USER MOD Single : A 48 GLN : amide:sc= -0.665 X(o=-0.66,f=-0.86) USER MOD Single : A 49 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.31) USER MOD Single : A 51 ASN : amide:sc= 0.521 K(o=0.52,f=-2.7) USER MOD Single : A 54 CYS SG : rot -136:sc= 0.485 USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= 0.88 (180deg=0.416) USER MOD Single : A 56 THR OG1 : rot 93:sc= 1.31 USER MOD Single : A 59 LYS NZ :NH3+ 143:sc= 1.24 (180deg=-0.294!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00636 USER MOD Single : A 70 MET CE :methyl -178:sc= 0 (180deg=-0.0025) USER MOD Single : A 71 MET CE :methyl -147:sc= -0.629 (180deg=-3.45!) USER MOD Single : A 72 THR OG1 : rot -165:sc= 0.617 USER MOD Single : A 74 CYS SG : rot -112:sc= -0.524 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 2.424 -10.457 1.940 1.00 0.00 N ATOM 71 CA ILE A 6 1.169 -11.039 2.471 1.00 0.00 C ATOM 72 C ILE A 6 0.909 -10.620 3.911 1.00 0.00 C ATOM 73 O ILE A 6 -0.192 -10.774 4.431 1.00 0.00 O ATOM 74 CB ILE A 6 1.144 -12.597 2.402 1.00 0.00 C ATOM 75 CG1 ILE A 6 1.605 -13.372 3.676 1.00 0.00 C ATOM 76 CG2 ILE A 6 2.038 -13.089 1.257 1.00 0.00 C ATOM 77 CD1 ILE A 6 0.555 -13.654 4.779 1.00 0.00 C ATOM 0 HA ILE A 6 0.384 -10.646 1.825 1.00 0.00 H new ATOM 0 HB ILE A 6 0.084 -12.812 2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.015 -14.329 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.422 -12.811 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.013 -14.178 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.675 -12.684 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.062 -12.755 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.025 -14.199 5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.157 -12.710 5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.257 -14.252 4.364 1.00 0.00 H new ATOM 89 N LEU A 7 1.957 -10.177 4.605 1.00 0.00 N ATOM 90 CA LEU A 7 1.996 -9.934 6.060 1.00 0.00 C ATOM 91 C LEU A 7 1.079 -8.802 6.587 1.00 0.00 C ATOM 92 O LEU A 7 1.078 -8.475 7.772 1.00 0.00 O ATOM 93 CB LEU A 7 3.470 -9.733 6.469 1.00 0.00 C ATOM 94 CG LEU A 7 4.409 -10.895 6.084 1.00 0.00 C ATOM 95 CD1 LEU A 7 5.859 -10.529 6.387 1.00 0.00 C ATOM 96 CD2 LEU A 7 4.071 -12.171 6.859 1.00 0.00 C ATOM 0 H LEU A 7 2.847 -9.966 4.154 1.00 0.00 H new ATOM 0 HA LEU A 7 1.570 -10.814 6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.839 -8.817 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.517 -9.588 7.548 1.00 0.00 H new ATOM 0 HG LEU A 7 4.274 -11.073 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.509 -11.359 6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.138 -9.643 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.967 -10.323 7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.752 -12.968 6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.173 -11.985 7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.046 -12.469 6.639 1.00 0.00 H new ATOM 108 N ASP A 8 0.250 -8.327 5.679 1.00 0.00 N ATOM 109 CA ASP A 8 -0.620 -7.172 5.576 1.00 0.00 C ATOM 110 C ASP A 8 -2.035 -7.601 5.116 1.00 0.00 C ATOM 111 O ASP A 8 -3.017 -7.060 5.615 1.00 0.00 O ATOM 112 CB ASP A 8 0.076 -6.253 4.547 1.00 0.00 C ATOM 113 CG ASP A 8 0.791 -7.063 3.444 1.00 0.00 C ATOM 114 OD1 ASP A 8 0.090 -7.815 2.737 1.00 0.00 O ATOM 115 OD2 ASP A 8 2.042 -7.126 3.475 1.00 0.00 O ATOM 0 H ASP A 8 0.158 -8.863 4.816 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.766 -6.661 6.528 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.662 -5.593 4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.800 -5.618 5.058 1.00 0.00 H new ATOM 120 N ILE A 9 -2.178 -8.682 4.325 1.00 0.00 N ATOM 121 CA ILE A 9 -3.476 -9.330 4.006 1.00 0.00 C ATOM 122 C ILE A 9 -3.937 -10.277 5.126 1.00 0.00 C ATOM 123 O ILE A 9 -4.656 -11.257 4.914 1.00 0.00 O ATOM 124 CB ILE A 9 -3.481 -10.062 2.644 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.619 -11.346 2.619 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.102 -9.123 1.491 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.353 -12.511 1.963 1.00 0.00 C ATOM 0 H ILE A 9 -1.384 -9.141 3.879 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.191 -8.511 3.928 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.511 -10.388 2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.692 -11.151 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.343 -11.618 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.117 -9.676 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.817 -8.302 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.102 -8.724 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.712 -13.393 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.267 -12.724 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.605 -12.250 0.935 1.00 0.00 H new ATOM 139 N ARG A 10 -3.425 -10.023 6.329 1.00 0.00 N ATOM 140 CA ARG A 10 -3.613 -10.793 7.553 1.00 0.00 C ATOM 141 C ARG A 10 -5.050 -11.243 7.733 1.00 0.00 C ATOM 142 O ARG A 10 -5.969 -10.447 7.864 1.00 0.00 O ATOM 143 CB ARG A 10 -3.193 -9.949 8.759 1.00 0.00 C ATOM 144 CG ARG A 10 -1.707 -10.075 9.069 1.00 0.00 C ATOM 145 CD ARG A 10 -1.342 -11.452 9.641 1.00 0.00 C ATOM 146 NE ARG A 10 -0.091 -11.396 10.427 1.00 0.00 N ATOM 147 CZ ARG A 10 1.132 -11.669 10.007 1.00 0.00 C ATOM 148 NH1 ARG A 10 1.372 -12.037 8.781 1.00 0.00 N ATOM 149 NH2 ARG A 10 2.142 -11.582 10.827 1.00 0.00 N ATOM 0 H ARG A 10 -2.824 -9.213 6.483 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.992 -11.686 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.434 -8.903 8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.770 -10.255 9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.133 -9.899 8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.421 -9.301 9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.154 -11.812 10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.230 -12.168 8.827 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.182 -11.115 11.403 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.605 -12.121 8.114 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.327 -12.241 8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.990 -11.303 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.085 -11.793 10.499 1.00 0.00 H new ATOM 163 N GLN A 11 -5.173 -12.552 7.869 1.00 0.00 N ATOM 164 CA GLN A 11 -6.435 -13.207 8.219 1.00 0.00 C ATOM 165 C GLN A 11 -6.413 -13.705 9.663 1.00 0.00 C ATOM 166 O GLN A 11 -7.316 -13.396 10.434 1.00 0.00 O ATOM 167 CB GLN A 11 -6.729 -14.330 7.221 1.00 0.00 C ATOM 168 CG GLN A 11 -8.155 -14.855 7.423 1.00 0.00 C ATOM 169 CD GLN A 11 -8.624 -15.737 6.274 1.00 0.00 C ATOM 170 OE1 GLN A 11 -8.878 -16.913 6.432 1.00 0.00 O ATOM 171 NE2 GLN A 11 -8.741 -15.237 5.063 1.00 0.00 N ATOM 0 H GLN A 11 -4.397 -13.201 7.740 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.246 -12.481 8.155 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.610 -13.962 6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.013 -15.141 7.353 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.201 -15.422 8.353 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.837 -14.011 7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.535 -14.252 4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.038 -15.834 4.291 1.00 0.00 H new ATOM 180 N GLY A 12 -5.343 -14.408 10.055 1.00 0.00 N ATOM 181 CA GLY A 12 -5.169 -14.840 11.445 1.00 0.00 C ATOM 182 C GLY A 12 -5.068 -16.358 11.545 1.00 0.00 C ATOM 183 O GLY A 12 -6.024 -16.970 12.005 1.00 0.00 O ATOM 0 H GLY A 12 -4.587 -14.689 9.430 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.269 -14.385 11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.009 -14.489 12.045 1.00 0.00 H new ATOM 187 N PRO A 13 -3.933 -16.952 11.120 1.00 0.00 N ATOM 188 CA PRO A 13 -3.685 -18.394 10.939 1.00 0.00 C ATOM 189 C PRO A 13 -3.653 -19.228 12.238 1.00 0.00 C ATOM 190 O PRO A 13 -2.870 -20.159 12.385 1.00 0.00 O ATOM 191 CB PRO A 13 -2.382 -18.473 10.133 1.00 0.00 C ATOM 192 CG PRO A 13 -1.632 -17.224 10.584 1.00 0.00 C ATOM 193 CD PRO A 13 -2.735 -16.204 10.785 1.00 0.00 C ATOM 0 HA PRO A 13 -4.522 -18.855 10.415 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.824 -19.383 10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.569 -18.467 9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.075 -17.400 11.504 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.912 -16.895 9.834 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.478 -15.507 11.582 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.886 -15.613 9.881 1.00 0.00 H new ATOM 201 N LYS A 14 -4.489 -18.858 13.211 1.00 0.00 N ATOM 202 CA LYS A 14 -4.814 -19.669 14.404 1.00 0.00 C ATOM 203 C LYS A 14 -5.612 -20.947 14.072 1.00 0.00 C ATOM 204 O LYS A 14 -5.684 -21.849 14.898 1.00 0.00 O ATOM 205 CB LYS A 14 -5.664 -18.852 15.383 1.00 0.00 C ATOM 206 CG LYS A 14 -4.979 -17.609 15.967 1.00 0.00 C ATOM 207 CD LYS A 14 -5.941 -16.934 16.956 1.00 0.00 C ATOM 208 CE LYS A 14 -5.269 -15.765 17.684 1.00 0.00 C ATOM 209 NZ LYS A 14 -6.198 -15.134 18.657 1.00 0.00 N ATOM 0 H LYS A 14 -4.976 -17.962 13.198 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.854 -19.954 14.835 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.575 -18.539 14.873 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.966 -19.501 16.205 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.054 -17.889 16.471 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.710 -16.916 15.170 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.820 -16.574 16.422 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.288 -17.666 17.685 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.379 -16.120 18.204 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.939 -15.022 16.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.717 -14.346 19.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.035 -14.775 18.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.493 -15.839 19.363 1.00 0.00 H new ATOM 223 N GLU A 15 -6.266 -20.954 12.911 1.00 0.00 N ATOM 224 CA GLU A 15 -7.256 -21.914 12.429 1.00 0.00 C ATOM 225 C GLU A 15 -7.356 -21.906 10.881 1.00 0.00 C ATOM 226 O GLU A 15 -7.178 -22.969 10.283 1.00 0.00 O ATOM 227 CB GLU A 15 -8.598 -21.554 13.105 1.00 0.00 C ATOM 228 CG GLU A 15 -9.858 -22.115 12.433 1.00 0.00 C ATOM 229 CD GLU A 15 -10.657 -21.077 11.630 1.00 0.00 C ATOM 230 OE1 GLU A 15 -11.035 -20.038 12.212 1.00 0.00 O ATOM 231 OE2 GLU A 15 -10.889 -21.328 10.421 1.00 0.00 O ATOM 0 H GLU A 15 -6.100 -20.220 12.222 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.966 -22.932 12.691 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.570 -21.909 14.135 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.683 -20.468 13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.570 -22.929 11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.505 -22.543 13.199 1.00 0.00 H new ATOM 238 N PRO A 16 -7.607 -20.767 10.188 1.00 0.00 N ATOM 239 CA PRO A 16 -7.926 -20.799 8.761 1.00 0.00 C ATOM 240 C PRO A 16 -6.758 -21.301 7.911 1.00 0.00 C ATOM 241 O PRO A 16 -5.631 -20.808 8.019 1.00 0.00 O ATOM 242 CB PRO A 16 -8.353 -19.383 8.372 1.00 0.00 C ATOM 243 CG PRO A 16 -7.736 -18.502 9.451 1.00 0.00 C ATOM 244 CD PRO A 16 -7.772 -19.404 10.680 1.00 0.00 C ATOM 0 HA PRO A 16 -8.731 -21.509 8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.988 -19.114 7.381 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.438 -19.285 8.350 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.719 -18.203 9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.308 -17.587 9.603 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.977 -19.143 11.378 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.715 -19.295 11.216 1.00 0.00 H new ATOM 252 N PHE A 17 -7.068 -22.252 7.021 1.00 0.00 N ATOM 253 CA PHE A 17 -6.104 -22.938 6.159 1.00 0.00 C ATOM 254 C PHE A 17 -6.461 -22.707 4.695 1.00 0.00 C ATOM 255 O PHE A 17 -5.871 -21.809 4.112 1.00 0.00 O ATOM 256 CB PHE A 17 -5.931 -24.428 6.546 1.00 0.00 C ATOM 257 CG PHE A 17 -4.516 -24.805 6.962 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.856 -24.036 7.944 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.854 -25.915 6.384 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.529 -24.332 8.300 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.523 -26.204 6.741 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.861 -25.398 7.682 1.00 0.00 C ATOM 0 H PHE A 17 -8.026 -22.573 6.878 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.115 -22.505 6.313 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.612 -24.661 7.364 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.226 -25.048 5.700 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.372 -23.217 8.423 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.370 -26.540 5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.025 -23.739 9.049 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.012 -27.043 6.292 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.830 -25.601 7.931 1.00 0.00 H new ATOM 272 N ARG A 18 -7.453 -23.390 4.094 1.00 0.00 N ATOM 273 CA ARG A 18 -7.832 -23.176 2.677 1.00 0.00 C ATOM 274 C ARG A 18 -8.182 -21.702 2.390 1.00 0.00 C ATOM 275 O ARG A 18 -7.798 -21.095 1.396 1.00 0.00 O ATOM 276 CB ARG A 18 -8.913 -24.199 2.269 1.00 0.00 C ATOM 277 CG ARG A 18 -10.323 -24.054 2.872 1.00 0.00 C ATOM 278 CD ARG A 18 -11.097 -22.883 2.249 1.00 0.00 C ATOM 279 NE ARG A 18 -12.456 -23.263 1.801 1.00 0.00 N ATOM 280 CZ ARG A 18 -13.284 -22.531 1.071 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.941 -21.360 0.613 1.00 0.00 N ATOM 282 NH2 ARG A 18 -14.479 -22.970 0.778 1.00 0.00 N ATOM 0 H ARG A 18 -8.012 -24.100 4.568 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.974 -23.366 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.011 -24.164 1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.543 -25.192 2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.880 -24.979 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.243 -23.904 3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.173 -22.076 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.536 -22.494 1.400 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.789 -24.185 2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.014 -20.985 0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.600 -20.818 0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.782 -23.885 1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.109 -22.398 0.215 1.00 0.00 H new ATOM 296 N ASP A 19 -8.868 -21.138 3.375 1.00 0.00 N ATOM 297 CA ASP A 19 -9.506 -19.821 3.498 1.00 0.00 C ATOM 298 C ASP A 19 -8.515 -18.645 3.392 1.00 0.00 C ATOM 299 O ASP A 19 -8.888 -17.506 3.101 1.00 0.00 O ATOM 300 CB ASP A 19 -10.238 -19.784 4.863 1.00 0.00 C ATOM 301 CG ASP A 19 -10.659 -21.167 5.401 1.00 0.00 C ATOM 302 OD1 ASP A 19 -9.778 -21.935 5.862 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.840 -21.553 5.306 1.00 0.00 O ATOM 0 H ASP A 19 -9.014 -21.668 4.234 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.198 -19.695 2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.589 -19.305 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.126 -19.159 4.768 1.00 0.00 H new ATOM 308 N TYR A 20 -7.236 -18.968 3.582 1.00 0.00 N ATOM 309 CA TYR A 20 -6.113 -18.036 3.719 1.00 0.00 C ATOM 310 C TYR A 20 -4.894 -18.442 2.881 1.00 0.00 C ATOM 311 O TYR A 20 -4.248 -17.589 2.281 1.00 0.00 O ATOM 312 CB TYR A 20 -5.733 -17.968 5.203 1.00 0.00 C ATOM 313 CG TYR A 20 -4.654 -16.966 5.582 1.00 0.00 C ATOM 314 CD1 TYR A 20 -4.628 -15.665 5.031 1.00 0.00 C ATOM 315 CD2 TYR A 20 -3.702 -17.332 6.550 1.00 0.00 C ATOM 316 CE1 TYR A 20 -3.685 -14.721 5.485 1.00 0.00 C ATOM 317 CE2 TYR A 20 -2.736 -16.405 6.978 1.00 0.00 C ATOM 318 CZ TYR A 20 -2.748 -15.091 6.468 1.00 0.00 C ATOM 319 OH TYR A 20 -1.865 -14.187 6.962 1.00 0.00 O ATOM 0 H TYR A 20 -6.937 -19.941 3.648 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.428 -17.061 3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.631 -17.735 5.775 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.404 -18.959 5.517 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.333 -15.393 4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.713 -18.329 6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.681 -13.719 5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.985 -16.699 7.697 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.295 -14.619 7.633 1.00 0.00 H new ATOM 329 N VAL A 21 -4.624 -19.743 2.756 1.00 0.00 N ATOM 330 CA VAL A 21 -3.542 -20.316 1.947 1.00 0.00 C ATOM 331 C VAL A 21 -3.658 -19.985 0.476 1.00 0.00 C ATOM 332 O VAL A 21 -2.647 -19.717 -0.170 1.00 0.00 O ATOM 333 CB VAL A 21 -3.495 -21.840 2.097 1.00 0.00 C ATOM 334 CG1 VAL A 21 -4.558 -22.644 1.353 1.00 0.00 C ATOM 335 CG2 VAL A 21 -2.151 -22.351 1.629 1.00 0.00 C ATOM 0 H VAL A 21 -5.174 -20.456 3.234 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.625 -19.865 2.326 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.687 -21.994 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.411 -23.707 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.548 -22.347 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.476 -22.453 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.117 -23.435 1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.005 -22.084 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.361 -21.902 2.231 1.00 0.00 H new ATOM 345 N ASP A 22 -4.892 -19.976 -0.029 1.00 0.00 N ATOM 346 CA ASP A 22 -5.182 -19.577 -1.389 1.00 0.00 C ATOM 347 C ASP A 22 -4.744 -18.143 -1.655 1.00 0.00 C ATOM 348 O ASP A 22 -4.209 -17.798 -2.700 1.00 0.00 O ATOM 349 CB ASP A 22 -6.692 -19.680 -1.545 1.00 0.00 C ATOM 350 CG ASP A 22 -7.170 -21.029 -2.083 1.00 0.00 C ATOM 351 OD1 ASP A 22 -6.548 -22.069 -1.752 1.00 0.00 O ATOM 352 OD2 ASP A 22 -8.190 -20.982 -2.801 1.00 0.00 O ATOM 0 H ASP A 22 -5.717 -20.249 0.505 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.646 -20.213 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.160 -19.500 -0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.032 -18.891 -2.216 1.00 0.00 H new ATOM 357 N ARG A 23 -4.996 -17.297 -0.663 1.00 0.00 N ATOM 358 CA ARG A 23 -4.711 -15.859 -0.657 1.00 0.00 C ATOM 359 C ARG A 23 -3.218 -15.604 -0.431 1.00 0.00 C ATOM 360 O ARG A 23 -2.667 -14.679 -1.025 1.00 0.00 O ATOM 361 CB ARG A 23 -5.607 -15.131 0.380 1.00 0.00 C ATOM 362 CG ARG A 23 -6.910 -15.846 0.778 1.00 0.00 C ATOM 363 CD ARG A 23 -7.806 -16.212 -0.406 1.00 0.00 C ATOM 364 NE ARG A 23 -8.848 -15.209 -0.642 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.812 -15.331 -1.537 1.00 0.00 C ATOM 366 NH1 ARG A 23 -9.862 -16.343 -2.359 1.00 0.00 N ATOM 367 NH2 ARG A 23 -10.738 -14.421 -1.659 1.00 0.00 N ATOM 0 H ARG A 23 -5.428 -17.608 0.207 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.956 -15.443 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.019 -14.964 1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.864 -14.150 -0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.661 -16.755 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.470 -15.206 1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.195 -16.317 -1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.271 -17.180 -0.222 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.828 -14.360 -0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.144 -17.067 -2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.619 -16.410 -3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.726 -13.597 -1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.474 -14.533 -2.356 1.00 0.00 H new ATOM 381 N PHE A 24 -2.574 -16.455 0.374 1.00 0.00 N ATOM 382 CA PHE A 24 -1.146 -16.445 0.642 1.00 0.00 C ATOM 383 C PHE A 24 -0.328 -16.762 -0.618 1.00 0.00 C ATOM 384 O PHE A 24 0.355 -15.888 -1.151 1.00 0.00 O ATOM 385 CB PHE A 24 -0.874 -17.462 1.768 1.00 0.00 C ATOM 386 CG PHE A 24 0.580 -17.548 2.160 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.499 -18.253 1.363 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.031 -16.886 3.309 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.869 -18.141 1.601 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.404 -16.832 3.586 1.00 0.00 C ATOM 391 CZ PHE A 24 3.329 -17.383 2.682 1.00 0.00 C ATOM 0 H PHE A 24 -3.061 -17.198 0.874 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.834 -15.449 0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.463 -17.189 2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.215 -18.447 1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.143 -18.884 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.324 -16.419 3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.573 -18.639 0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.752 -16.366 4.496 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.388 -17.222 2.822 1.00 0.00 H new ATOM 401 N TYR A 25 -0.399 -18.006 -1.112 1.00 0.00 N ATOM 402 CA TYR A 25 0.511 -18.490 -2.159 1.00 0.00 C ATOM 403 C TYR A 25 0.177 -17.836 -3.511 1.00 0.00 C ATOM 404 O TYR A 25 1.117 -17.570 -4.256 1.00 0.00 O ATOM 405 CB TYR A 25 0.526 -20.029 -2.230 1.00 0.00 C ATOM 406 CG TYR A 25 1.587 -20.854 -1.486 1.00 0.00 C ATOM 407 CD1 TYR A 25 2.867 -21.088 -2.042 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.226 -21.562 -0.322 1.00 0.00 C ATOM 409 CE1 TYR A 25 3.708 -22.113 -1.525 1.00 0.00 C ATOM 410 CE2 TYR A 25 2.076 -22.551 0.203 1.00 0.00 C ATOM 411 CZ TYR A 25 3.301 -22.879 -0.409 1.00 0.00 C ATOM 412 OH TYR A 25 4.097 -23.870 0.107 1.00 0.00 O ATOM 0 H TYR A 25 -1.081 -18.698 -0.801 1.00 0.00 H new ATOM 0 HA TYR A 25 1.526 -18.190 -1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.447 -20.372 -1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.597 -20.297 -3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.209 -20.482 -2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.290 -21.343 0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.664 -22.307 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.781 -23.074 1.101 1.00 0.00 H new ATOM 0 HH TYR A 25 3.992 -23.900 1.081 1.00 0.00 H new ATOM 422 N LYS A 26 -1.085 -17.448 -3.794 1.00 0.00 N ATOM 423 CA LYS A 26 -1.453 -16.609 -4.960 1.00 0.00 C ATOM 424 C LYS A 26 -0.616 -15.334 -5.090 1.00 0.00 C ATOM 425 O LYS A 26 -0.404 -14.880 -6.224 1.00 0.00 O ATOM 426 CB LYS A 26 -2.961 -16.290 -4.888 1.00 0.00 C ATOM 427 CG LYS A 26 -3.485 -15.120 -5.743 1.00 0.00 C ATOM 428 CD LYS A 26 -3.381 -13.785 -4.974 1.00 0.00 C ATOM 429 CE LYS A 26 -2.795 -12.637 -5.805 1.00 0.00 C ATOM 430 NZ LYS A 26 -3.746 -12.129 -6.818 1.00 0.00 N ATOM 0 H LYS A 26 -1.885 -17.709 -3.217 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.233 -17.180 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.508 -17.188 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.211 -16.084 -3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.913 -15.056 -6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.523 -15.304 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.373 -13.499 -4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.762 -13.933 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.507 -11.822 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.887 -12.979 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.303 -11.355 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.002 -12.898 -7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.602 -11.777 -6.344 1.00 0.00 H new ATOM 444 N THR A 27 -0.188 -14.750 -3.966 1.00 0.00 N ATOM 445 CA THR A 27 0.541 -13.493 -3.893 1.00 0.00 C ATOM 446 C THR A 27 2.022 -13.754 -3.635 1.00 0.00 C ATOM 447 O THR A 27 2.828 -13.370 -4.480 1.00 0.00 O ATOM 448 CB THR A 27 -0.104 -12.648 -2.785 1.00 0.00 C ATOM 449 OG1 THR A 27 -1.308 -12.061 -3.220 1.00 0.00 O ATOM 450 CG2 THR A 27 0.762 -11.499 -2.345 1.00 0.00 C ATOM 0 H THR A 27 -0.350 -15.163 -3.047 1.00 0.00 H new ATOM 0 HA THR A 27 0.485 -12.949 -4.836 1.00 0.00 H new ATOM 0 HB THR A 27 -0.260 -13.348 -1.965 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.695 -11.531 -2.492 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.253 -10.939 -1.561 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.708 -11.882 -1.962 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.954 -10.842 -3.194 1.00 0.00 H new ATOM 458 N LEU A 28 2.353 -14.487 -2.557 1.00 0.00 N ATOM 459 CA LEU A 28 3.720 -14.841 -2.135 1.00 0.00 C ATOM 460 C LEU A 28 4.635 -15.219 -3.309 1.00 0.00 C ATOM 461 O LEU A 28 5.749 -14.719 -3.404 1.00 0.00 O ATOM 462 CB LEU A 28 3.659 -15.928 -1.042 1.00 0.00 C ATOM 463 CG LEU A 28 5.012 -16.389 -0.474 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.614 -17.524 -1.304 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.015 -15.278 -0.181 1.00 0.00 C ATOM 0 H LEU A 28 1.644 -14.865 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 28 4.184 -13.953 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.050 -15.554 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.143 -16.797 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 28 4.776 -16.782 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.569 -17.823 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.933 -18.375 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.769 -17.183 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.933 -15.712 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.237 -14.736 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.593 -14.591 0.552 1.00 0.00 H new ATOM 477 N ARG A 29 4.120 -16.036 -4.238 1.00 0.00 N ATOM 478 CA ARG A 29 4.800 -16.642 -5.409 1.00 0.00 C ATOM 479 C ARG A 29 5.636 -15.759 -6.367 1.00 0.00 C ATOM 480 O ARG A 29 5.987 -16.245 -7.441 1.00 0.00 O ATOM 481 CB ARG A 29 3.767 -17.496 -6.161 1.00 0.00 C ATOM 482 CG ARG A 29 2.556 -16.692 -6.663 1.00 0.00 C ATOM 483 CD ARG A 29 2.831 -15.764 -7.848 1.00 0.00 C ATOM 484 NE ARG A 29 1.563 -15.299 -8.445 1.00 0.00 N ATOM 485 CZ ARG A 29 1.370 -15.005 -9.718 1.00 0.00 C ATOM 486 NH1 ARG A 29 2.361 -14.867 -10.563 1.00 0.00 N ATOM 487 NH2 ARG A 29 0.159 -14.857 -10.181 1.00 0.00 N ATOM 0 H ARG A 29 3.141 -16.317 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 29 5.611 -17.223 -4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.253 -17.975 -7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.417 -18.292 -5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.769 -17.391 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.170 -16.094 -5.837 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.420 -14.908 -7.518 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.423 -16.288 -8.599 1.00 0.00 H new ATOM 0 HE ARG A 29 0.765 -15.196 -7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.323 -14.987 -10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.171 -14.639 -11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.642 -14.968 -9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.013 -14.630 -11.165 1.00 0.00 H new ATOM 501 N ALA A 30 5.900 -14.486 -6.076 1.00 0.00 N ATOM 502 CA ALA A 30 6.924 -13.687 -6.766 1.00 0.00 C ATOM 503 C ALA A 30 8.335 -13.994 -6.203 1.00 0.00 C ATOM 504 O ALA A 30 9.330 -13.968 -6.925 1.00 0.00 O ATOM 505 CB ALA A 30 6.588 -12.204 -6.576 1.00 0.00 C ATOM 0 H ALA A 30 5.406 -13.971 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 30 6.930 -13.938 -7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.337 -11.594 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.605 -11.997 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.583 -11.965 -5.512 1.00 0.00 H new ATOM 511 N GLU A 31 8.392 -14.374 -4.926 1.00 0.00 N ATOM 512 CA GLU A 31 9.579 -14.754 -4.160 1.00 0.00 C ATOM 513 C GLU A 31 9.277 -16.038 -3.357 1.00 0.00 C ATOM 514 O GLU A 31 8.133 -16.484 -3.308 1.00 0.00 O ATOM 515 CB GLU A 31 10.071 -13.547 -3.330 1.00 0.00 C ATOM 516 CG GLU A 31 9.029 -12.871 -2.414 1.00 0.00 C ATOM 517 CD GLU A 31 9.201 -11.341 -2.383 1.00 0.00 C ATOM 518 OE1 GLU A 31 9.952 -10.849 -1.510 1.00 0.00 O ATOM 519 OE2 GLU A 31 8.550 -10.661 -3.216 1.00 0.00 O ATOM 0 H GLU A 31 7.546 -14.428 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 31 10.417 -15.009 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.906 -13.876 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.459 -12.796 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.026 -13.117 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.122 -13.268 -1.403 1.00 0.00 H new ATOM 526 N GLN A 32 10.296 -16.720 -2.813 1.00 0.00 N ATOM 527 CA GLN A 32 10.223 -18.085 -2.223 1.00 0.00 C ATOM 528 C GLN A 32 9.461 -19.176 -3.042 1.00 0.00 C ATOM 529 O GLN A 32 9.241 -20.286 -2.565 1.00 0.00 O ATOM 530 CB GLN A 32 9.781 -18.076 -0.736 1.00 0.00 C ATOM 531 CG GLN A 32 9.272 -16.779 -0.078 1.00 0.00 C ATOM 532 CD GLN A 32 10.370 -15.842 0.409 1.00 0.00 C ATOM 533 OE1 GLN A 32 11.395 -15.646 -0.230 1.00 0.00 O ATOM 534 NE2 GLN A 32 10.220 -15.258 1.578 1.00 0.00 N ATOM 0 H GLN A 32 11.237 -16.328 -2.765 1.00 0.00 H new ATOM 0 HA GLN A 32 11.263 -18.408 -2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.992 -18.821 -0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.629 -18.424 -0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.648 -16.245 -0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.635 -17.041 0.767 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.370 -15.413 2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.953 -14.650 1.942 1.00 0.00 H new ATOM 543 N ALA A 33 9.071 -18.882 -4.285 1.00 0.00 N ATOM 544 CA ALA A 33 8.157 -19.635 -5.145 1.00 0.00 C ATOM 545 C ALA A 33 8.551 -21.096 -5.455 1.00 0.00 C ATOM 546 O ALA A 33 9.137 -21.377 -6.502 1.00 0.00 O ATOM 547 CB ALA A 33 7.948 -18.802 -6.420 1.00 0.00 C ATOM 0 H ALA A 33 9.415 -18.043 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 33 7.228 -19.773 -4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.270 -19.329 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.519 -17.835 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.906 -18.651 -6.917 1.00 0.00 H new ATOM 553 N SER A 34 8.186 -22.044 -4.583 1.00 0.00 N ATOM 554 CA SER A 34 8.375 -23.478 -4.835 1.00 0.00 C ATOM 555 C SER A 34 7.451 -24.379 -4.001 1.00 0.00 C ATOM 556 O SER A 34 6.826 -23.946 -3.036 1.00 0.00 O ATOM 557 CB SER A 34 9.842 -23.845 -4.572 1.00 0.00 C ATOM 558 OG SER A 34 10.129 -25.120 -5.113 1.00 0.00 O ATOM 0 H SER A 34 7.752 -21.839 -3.683 1.00 0.00 H new ATOM 0 HA SER A 34 8.109 -23.656 -5.877 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.498 -23.097 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.039 -23.844 -3.500 1.00 0.00 H new ATOM 0 HG SER A 34 11.067 -25.344 -4.942 1.00 0.00 H new ATOM 564 N GLN A 35 7.392 -25.661 -4.366 1.00 0.00 N ATOM 565 CA GLN A 35 6.788 -26.769 -3.651 1.00 0.00 C ATOM 566 C GLN A 35 7.822 -27.433 -2.710 1.00 0.00 C ATOM 567 O GLN A 35 7.823 -28.648 -2.509 1.00 0.00 O ATOM 568 CB GLN A 35 6.319 -27.722 -4.761 1.00 0.00 C ATOM 569 CG GLN A 35 4.960 -27.335 -5.357 1.00 0.00 C ATOM 570 CD GLN A 35 4.526 -28.358 -6.400 1.00 0.00 C ATOM 571 OE1 GLN A 35 3.855 -29.332 -6.113 1.00 0.00 O ATOM 572 NE2 GLN A 35 4.916 -28.195 -7.644 1.00 0.00 N ATOM 0 H GLN A 35 7.804 -25.969 -5.247 1.00 0.00 H new ATOM 0 HA GLN A 35 5.962 -26.467 -3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.065 -27.739 -5.555 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.258 -28.734 -4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.213 -27.274 -4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.024 -26.347 -5.812 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.479 -27.384 -7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.656 -28.880 -8.354 1.00 0.00 H new ATOM 581 N GLU A 36 8.760 -26.652 -2.169 1.00 0.00 N ATOM 582 CA GLU A 36 9.680 -27.112 -1.130 1.00 0.00 C ATOM 583 C GLU A 36 8.889 -27.666 0.071 1.00 0.00 C ATOM 584 O GLU A 36 8.101 -26.955 0.681 1.00 0.00 O ATOM 585 CB GLU A 36 10.647 -25.971 -0.747 1.00 0.00 C ATOM 586 CG GLU A 36 11.300 -26.300 0.596 1.00 0.00 C ATOM 587 CD GLU A 36 12.643 -25.623 0.884 1.00 0.00 C ATOM 588 OE1 GLU A 36 13.689 -26.238 0.578 1.00 0.00 O ATOM 589 OE2 GLU A 36 12.693 -24.681 1.704 1.00 0.00 O ATOM 0 H GLU A 36 8.902 -25.679 -2.441 1.00 0.00 H new ATOM 0 HA GLU A 36 10.291 -27.933 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.409 -25.850 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.107 -25.026 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.604 -26.029 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.443 -27.379 0.651 1.00 0.00 H new ATOM 596 N VAL A 37 9.141 -28.921 0.466 1.00 0.00 N ATOM 597 CA VAL A 37 8.440 -29.540 1.610 1.00 0.00 C ATOM 598 C VAL A 37 8.667 -28.818 2.944 1.00 0.00 C ATOM 599 O VAL A 37 7.803 -28.788 3.815 1.00 0.00 O ATOM 600 CB VAL A 37 8.809 -31.026 1.711 1.00 0.00 C ATOM 601 CG1 VAL A 37 10.191 -31.279 2.325 1.00 0.00 C ATOM 602 CG2 VAL A 37 7.737 -31.812 2.469 1.00 0.00 C ATOM 0 H VAL A 37 9.823 -29.530 0.014 1.00 0.00 H new ATOM 0 HA VAL A 37 7.373 -29.443 1.410 1.00 0.00 H new ATOM 0 HB VAL A 37 8.858 -31.385 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.381 -32.352 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.954 -30.797 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.221 -30.869 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.026 -32.861 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.636 -31.410 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.784 -31.725 1.946 1.00 0.00 H new ATOM 612 N LYS A 38 9.843 -28.201 3.075 1.00 0.00 N ATOM 613 CA LYS A 38 10.305 -27.388 4.216 1.00 0.00 C ATOM 614 C LYS A 38 9.625 -26.004 4.288 1.00 0.00 C ATOM 615 O LYS A 38 10.226 -25.079 4.823 1.00 0.00 O ATOM 616 CB LYS A 38 11.834 -27.198 4.122 1.00 0.00 C ATOM 617 CG LYS A 38 12.699 -28.465 4.098 1.00 0.00 C ATOM 618 CD LYS A 38 14.091 -28.234 3.475 1.00 0.00 C ATOM 619 CE LYS A 38 14.863 -26.994 3.968 1.00 0.00 C ATOM 620 NZ LYS A 38 14.672 -25.810 3.088 1.00 0.00 N ATOM 0 H LYS A 38 10.549 -28.256 2.341 1.00 0.00 H new ATOM 0 HA LYS A 38 10.032 -27.927 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.048 -26.626 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.151 -26.589 4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.820 -28.835 5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.180 -29.242 3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.702 -29.116 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.973 -28.156 2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.537 -26.747 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.925 -27.232 4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.394 -25.094 3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.763 -26.099 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.726 -25.408 3.247 1.00 0.00 H new ATOM 634 N ASN A 39 8.435 -25.803 3.715 1.00 0.00 N ATOM 635 CA ASN A 39 7.815 -24.480 3.545 1.00 0.00 C ATOM 636 C ASN A 39 7.676 -23.618 4.837 1.00 0.00 C ATOM 637 O ASN A 39 7.636 -22.392 4.746 1.00 0.00 O ATOM 638 CB ASN A 39 6.619 -24.591 2.582 1.00 0.00 C ATOM 639 CG ASN A 39 5.395 -25.313 3.057 1.00 0.00 C ATOM 640 OD1 ASN A 39 4.310 -24.584 3.128 1.00 0.00 O flip ATOM 641 ND2 ASN A 39 5.366 -26.518 3.238 1.00 0.00 N flip ATOM 0 H ASN A 39 7.864 -26.565 3.349 1.00 0.00 H new ATOM 0 HA ASN A 39 8.518 -23.817 3.041 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.322 -23.580 2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.966 -25.085 1.675 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.226 -27.064 3.177 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.482 -26.981 3.450 1.00 0.00 H new ATOM 648 N ALA A 40 7.766 -24.216 6.033 1.00 0.00 N ATOM 649 CA ALA A 40 7.912 -23.520 7.327 1.00 0.00 C ATOM 650 C ALA A 40 9.166 -22.609 7.449 1.00 0.00 C ATOM 651 O ALA A 40 9.218 -21.723 8.298 1.00 0.00 O ATOM 652 CB ALA A 40 7.911 -24.577 8.438 1.00 0.00 C ATOM 0 H ALA A 40 7.739 -25.231 6.134 1.00 0.00 H new ATOM 0 HA ALA A 40 7.069 -22.835 7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.018 -24.087 9.406 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.972 -25.130 8.413 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.742 -25.266 8.286 1.00 0.00 H new ATOM 658 N MET A 41 10.152 -22.757 6.551 1.00 0.00 N ATOM 659 CA MET A 41 11.309 -21.855 6.366 1.00 0.00 C ATOM 660 C MET A 41 10.951 -20.398 5.986 1.00 0.00 C ATOM 661 O MET A 41 11.848 -19.568 5.834 1.00 0.00 O ATOM 662 CB MET A 41 12.211 -22.438 5.260 1.00 0.00 C ATOM 663 CG MET A 41 13.008 -23.674 5.692 1.00 0.00 C ATOM 664 SD MET A 41 14.245 -23.457 7.006 1.00 0.00 S ATOM 665 CE MET A 41 15.151 -21.983 6.458 1.00 0.00 C ATOM 0 H MET A 41 10.169 -23.544 5.902 1.00 0.00 H new ATOM 0 HA MET A 41 11.805 -21.801 7.335 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.593 -22.699 4.401 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.907 -21.667 4.929 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.299 -24.434 6.020 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.517 -24.070 4.813 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.030 -21.841 7.087 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.464 -22.112 5.422 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.504 -21.109 6.535 1.00 0.00 H new ATOM 675 N THR A 42 9.665 -20.092 5.793 1.00 0.00 N ATOM 676 CA THR A 42 9.121 -18.820 5.280 1.00 0.00 C ATOM 677 C THR A 42 7.831 -18.451 6.008 1.00 0.00 C ATOM 678 O THR A 42 7.300 -19.214 6.810 1.00 0.00 O ATOM 679 CB THR A 42 8.831 -18.893 3.760 1.00 0.00 C ATOM 680 OG1 THR A 42 8.261 -20.120 3.346 1.00 0.00 O ATOM 681 CG2 THR A 42 10.115 -18.743 2.955 1.00 0.00 C ATOM 0 H THR A 42 8.926 -20.763 6.002 1.00 0.00 H new ATOM 0 HA THR A 42 9.879 -18.057 5.459 1.00 0.00 H new ATOM 0 HB THR A 42 8.126 -18.082 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.031 -20.656 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.886 -18.798 1.891 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.574 -17.780 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.806 -19.544 3.219 1.00 0.00 H new ATOM 689 N GLU A 43 7.259 -17.293 5.685 1.00 0.00 N ATOM 690 CA GLU A 43 5.912 -16.908 6.129 1.00 0.00 C ATOM 691 C GLU A 43 4.790 -17.882 5.703 1.00 0.00 C ATOM 692 O GLU A 43 3.661 -17.736 6.154 1.00 0.00 O ATOM 693 CB GLU A 43 5.590 -15.476 5.677 1.00 0.00 C ATOM 694 CG GLU A 43 5.996 -15.129 4.236 1.00 0.00 C ATOM 695 CD GLU A 43 7.470 -14.713 4.131 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.846 -13.691 4.737 1.00 0.00 O ATOM 697 OE2 GLU A 43 8.229 -15.507 3.527 1.00 0.00 O ATOM 0 H GLU A 43 7.715 -16.589 5.105 1.00 0.00 H new ATOM 0 HA GLU A 43 5.936 -16.958 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.517 -15.313 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.086 -14.780 6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.817 -15.991 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.365 -14.320 3.868 1.00 0.00 H new ATOM 704 N THR A 44 5.081 -18.854 4.843 1.00 0.00 N ATOM 705 CA THR A 44 4.254 -19.949 4.303 1.00 0.00 C ATOM 706 C THR A 44 3.682 -20.953 5.318 1.00 0.00 C ATOM 707 O THR A 44 3.914 -22.159 5.242 1.00 0.00 O ATOM 708 CB THR A 44 5.057 -20.661 3.212 1.00 0.00 C ATOM 709 OG1 THR A 44 5.791 -19.761 2.415 1.00 0.00 O ATOM 710 CG2 THR A 44 4.171 -21.385 2.228 1.00 0.00 C ATOM 0 H THR A 44 6.022 -18.906 4.454 1.00 0.00 H new ATOM 0 HA THR A 44 3.355 -19.476 3.908 1.00 0.00 H new ATOM 0 HB THR A 44 5.703 -21.344 3.764 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.750 -19.931 2.527 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.788 -21.874 1.474 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.579 -22.134 2.754 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.505 -20.671 1.744 1.00 0.00 H new ATOM 718 N LEU A 45 2.882 -20.452 6.255 1.00 0.00 N ATOM 719 CA LEU A 45 2.219 -21.198 7.348 1.00 0.00 C ATOM 720 C LEU A 45 1.218 -22.328 6.949 1.00 0.00 C ATOM 721 O LEU A 45 0.483 -22.812 7.805 1.00 0.00 O ATOM 722 CB LEU A 45 1.497 -20.235 8.328 1.00 0.00 C ATOM 723 CG LEU A 45 1.830 -18.737 8.403 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.958 -17.946 7.399 1.00 0.00 C ATOM 725 CD2 LEU A 45 1.550 -18.231 9.819 1.00 0.00 C ATOM 0 H LEU A 45 2.659 -19.457 6.283 1.00 0.00 H new ATOM 0 HA LEU A 45 3.061 -21.711 7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.432 -20.308 8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.646 -20.639 9.329 1.00 0.00 H new ATOM 0 HG LEU A 45 2.881 -18.592 8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.203 -16.886 7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.151 -18.304 6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.095 -18.090 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.784 -17.168 9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.498 -18.384 10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.168 -18.779 10.530 1.00 0.00 H new ATOM 737 N LEU A 46 1.098 -22.705 5.672 1.00 0.00 N ATOM 738 CA LEU A 46 0.037 -23.553 5.091 1.00 0.00 C ATOM 739 C LEU A 46 0.426 -24.056 3.677 1.00 0.00 C ATOM 740 O LEU A 46 1.520 -23.745 3.234 1.00 0.00 O ATOM 741 CB LEU A 46 -1.316 -22.788 5.115 1.00 0.00 C ATOM 742 CG LEU A 46 -1.405 -21.241 4.941 1.00 0.00 C ATOM 743 CD1 LEU A 46 -1.836 -20.565 6.240 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.239 -20.482 4.293 1.00 0.00 C ATOM 0 H LEU A 46 1.777 -22.412 4.969 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.082 -24.450 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.936 -23.226 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.791 -23.023 6.068 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.170 -21.163 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.889 -19.487 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.816 -20.939 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.111 -20.786 7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.474 -19.418 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.665 -20.633 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.079 -20.855 3.281 1.00 0.00 H new ATOM 756 N VAL A 47 -0.403 -24.830 2.950 1.00 0.00 N ATOM 757 CA VAL A 47 -0.116 -25.321 1.573 1.00 0.00 C ATOM 758 C VAL A 47 -1.357 -25.355 0.656 1.00 0.00 C ATOM 759 O VAL A 47 -2.347 -26.022 0.968 1.00 0.00 O ATOM 760 CB VAL A 47 0.535 -26.720 1.602 1.00 0.00 C ATOM 761 CG1 VAL A 47 0.922 -27.150 0.185 1.00 0.00 C ATOM 762 CG2 VAL A 47 1.812 -26.782 2.433 1.00 0.00 C ATOM 0 H VAL A 47 -1.308 -25.141 3.302 1.00 0.00 H new ATOM 0 HA VAL A 47 0.580 -24.596 1.151 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.213 -27.375 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.380 -28.138 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.031 -27.184 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.631 -26.435 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.214 -27.795 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.547 -26.090 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.589 -26.506 3.464 1.00 0.00 H new ATOM 772 N GLN A 48 -1.310 -24.668 -0.502 1.00 0.00 N ATOM 773 CA GLN A 48 -2.376 -24.721 -1.518 1.00 0.00 C ATOM 774 C GLN A 48 -2.605 -26.147 -2.004 1.00 0.00 C ATOM 775 O GLN A 48 -3.711 -26.662 -1.887 1.00 0.00 O ATOM 776 CB GLN A 48 -2.055 -23.851 -2.741 1.00 0.00 C ATOM 777 CG GLN A 48 -2.322 -22.386 -2.421 1.00 0.00 C ATOM 778 CD GLN A 48 -2.194 -21.431 -3.614 1.00 0.00 C ATOM 779 OE1 GLN A 48 -2.338 -20.230 -3.488 1.00 0.00 O ATOM 780 NE2 GLN A 48 -1.893 -21.870 -4.817 1.00 0.00 N ATOM 0 H GLN A 48 -0.531 -24.061 -0.758 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.273 -24.339 -1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.012 -23.985 -3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.663 -24.163 -3.590 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.327 -22.297 -2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.629 -22.067 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.761 -22.869 -4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.791 -21.212 -5.589 1.00 0.00 H new ATOM 789 N ASN A 49 -1.533 -26.798 -2.458 1.00 0.00 N ATOM 790 CA ASN A 49 -1.542 -28.158 -2.990 1.00 0.00 C ATOM 791 C ASN A 49 -1.920 -29.247 -1.960 1.00 0.00 C ATOM 792 O ASN A 49 -1.976 -30.414 -2.320 1.00 0.00 O ATOM 793 CB ASN A 49 -0.168 -28.414 -3.643 1.00 0.00 C ATOM 794 CG ASN A 49 -0.244 -29.506 -4.693 1.00 0.00 C ATOM 795 OD1 ASN A 49 -1.105 -29.494 -5.552 1.00 0.00 O ATOM 796 ND2 ASN A 49 0.671 -30.443 -4.690 1.00 0.00 N ATOM 0 H ASN A 49 -0.604 -26.377 -2.465 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.338 -28.232 -3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.196 -27.494 -4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.553 -28.696 -2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.663 -31.166 -5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.392 -30.450 -3.968 1.00 0.00 H new ATOM 803 N ALA A 50 -2.181 -28.894 -0.690 1.00 0.00 N ATOM 804 CA ALA A 50 -2.700 -29.848 0.284 1.00 0.00 C ATOM 805 C ALA A 50 -4.112 -30.330 -0.092 1.00 0.00 C ATOM 806 O ALA A 50 -4.848 -29.685 -0.842 1.00 0.00 O ATOM 807 CB ALA A 50 -2.665 -29.231 1.688 1.00 0.00 C ATOM 0 H ALA A 50 -2.039 -27.954 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.060 -30.730 0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.054 -29.949 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.638 -28.975 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.279 -28.330 1.705 1.00 0.00 H new ATOM 813 N ASN A 51 -4.537 -31.374 0.595 1.00 0.00 N ATOM 814 CA ASN A 51 -5.699 -32.202 0.318 1.00 0.00 C ATOM 815 C ASN A 51 -6.751 -32.014 1.434 1.00 0.00 C ATOM 816 O ASN A 51 -6.415 -31.506 2.515 1.00 0.00 O ATOM 817 CB ASN A 51 -5.214 -33.654 0.060 1.00 0.00 C ATOM 818 CG ASN A 51 -3.913 -34.082 0.726 1.00 0.00 C ATOM 819 OD1 ASN A 51 -2.852 -33.520 0.500 1.00 0.00 O ATOM 820 ND2 ASN A 51 -3.929 -35.080 1.555 1.00 0.00 N ATOM 0 H ASN A 51 -4.040 -31.691 1.427 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.223 -31.905 -0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.000 -34.335 0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.102 -33.787 -1.016 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.065 -35.383 2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.805 -35.562 1.756 1.00 0.00 H new ATOM 827 N PRO A 52 -8.044 -32.296 1.165 1.00 0.00 N ATOM 828 CA PRO A 52 -9.147 -31.897 2.047 1.00 0.00 C ATOM 829 C PRO A 52 -9.055 -32.439 3.475 1.00 0.00 C ATOM 830 O PRO A 52 -9.473 -31.753 4.407 1.00 0.00 O ATOM 831 CB PRO A 52 -10.434 -32.344 1.342 1.00 0.00 C ATOM 832 CG PRO A 52 -9.973 -33.429 0.372 1.00 0.00 C ATOM 833 CD PRO A 52 -8.568 -32.974 -0.013 1.00 0.00 C ATOM 0 HA PRO A 52 -9.115 -30.818 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.164 -32.730 2.053 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.908 -31.515 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.964 -34.412 0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.627 -33.497 -0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.942 -33.823 -0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.594 -32.304 -0.873 1.00 0.00 H new ATOM 841 N ASP A 53 -8.469 -33.622 3.645 1.00 0.00 N ATOM 842 CA ASP A 53 -8.159 -34.257 4.928 1.00 0.00 C ATOM 843 C ASP A 53 -7.288 -33.357 5.827 1.00 0.00 C ATOM 844 O ASP A 53 -7.818 -32.778 6.778 1.00 0.00 O ATOM 845 CB ASP A 53 -7.529 -35.636 4.651 1.00 0.00 C ATOM 846 CG ASP A 53 -6.382 -35.542 3.644 1.00 0.00 C ATOM 847 OD1 ASP A 53 -6.669 -35.438 2.429 1.00 0.00 O ATOM 848 OD2 ASP A 53 -5.225 -35.403 4.086 1.00 0.00 O ATOM 0 H ASP A 53 -8.182 -34.195 2.851 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.077 -34.405 5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.160 -36.062 5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.292 -36.315 4.271 1.00 0.00 H new ATOM 853 N CYS A 54 -5.999 -33.143 5.515 1.00 0.00 N ATOM 854 CA CYS A 54 -5.128 -32.296 6.338 1.00 0.00 C ATOM 855 C CYS A 54 -5.665 -30.868 6.481 1.00 0.00 C ATOM 856 O CYS A 54 -5.641 -30.290 7.562 1.00 0.00 O ATOM 857 CB CYS A 54 -3.701 -32.271 5.791 1.00 0.00 C ATOM 858 SG CYS A 54 -2.533 -32.594 7.147 1.00 0.00 S ATOM 0 H CYS A 54 -5.540 -33.546 4.698 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.116 -32.743 7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.586 -33.022 5.009 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.490 -31.303 5.337 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.531 -31.771 7.062 1.00 0.00 H new ATOM 864 N LYS A 55 -6.229 -30.294 5.417 1.00 0.00 N ATOM 865 CA LYS A 55 -6.909 -28.995 5.494 1.00 0.00 C ATOM 866 C LYS A 55 -7.988 -28.970 6.573 1.00 0.00 C ATOM 867 O LYS A 55 -7.972 -28.056 7.386 1.00 0.00 O ATOM 868 CB LYS A 55 -7.512 -28.688 4.129 1.00 0.00 C ATOM 869 CG LYS A 55 -6.476 -28.121 3.136 1.00 0.00 C ATOM 870 CD LYS A 55 -6.869 -28.396 1.675 1.00 0.00 C ATOM 871 CE LYS A 55 -6.628 -27.218 0.715 1.00 0.00 C ATOM 872 NZ LYS A 55 -5.226 -27.140 0.251 1.00 0.00 N ATOM 0 H LYS A 55 -6.229 -30.709 4.485 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.179 -28.234 5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.946 -29.598 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.325 -27.972 4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.377 -27.046 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.500 -28.563 3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.308 -29.260 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.925 -28.665 1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.287 -27.316 -0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.894 -26.287 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.167 -26.506 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.627 -26.770 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.896 -28.089 -0.019 1.00 0.00 H new ATOM 886 N THR A 56 -8.886 -29.953 6.612 1.00 0.00 N ATOM 887 CA THR A 56 -9.927 -30.071 7.650 1.00 0.00 C ATOM 888 C THR A 56 -9.341 -30.377 9.037 1.00 0.00 C ATOM 889 O THR A 56 -9.984 -30.117 10.051 1.00 0.00 O ATOM 890 CB THR A 56 -10.977 -31.121 7.242 1.00 0.00 C ATOM 891 OG1 THR A 56 -11.441 -30.833 5.942 1.00 0.00 O ATOM 892 CG2 THR A 56 -12.220 -31.148 8.130 1.00 0.00 C ATOM 0 H THR A 56 -8.918 -30.701 5.920 1.00 0.00 H new ATOM 0 HA THR A 56 -10.418 -29.101 7.730 1.00 0.00 H new ATOM 0 HB THR A 56 -10.468 -32.081 7.326 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.913 -31.335 5.287 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.906 -31.915 7.772 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.929 -31.372 9.156 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.713 -30.176 8.096 1.00 0.00 H new ATOM 900 N ILE A 57 -8.100 -30.864 9.084 1.00 0.00 N ATOM 901 CA ILE A 57 -7.392 -31.189 10.336 1.00 0.00 C ATOM 902 C ILE A 57 -6.755 -29.948 10.955 1.00 0.00 C ATOM 903 O ILE A 57 -7.179 -29.551 12.039 1.00 0.00 O ATOM 904 CB ILE A 57 -6.385 -32.329 10.087 1.00 0.00 C ATOM 905 CG1 ILE A 57 -7.175 -33.652 10.030 1.00 0.00 C ATOM 906 CG2 ILE A 57 -5.219 -32.423 11.088 1.00 0.00 C ATOM 907 CD1 ILE A 57 -6.427 -34.714 9.233 1.00 0.00 C ATOM 0 H ILE A 57 -7.547 -31.048 8.247 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.111 -31.547 11.073 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.887 -32.110 9.142 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.354 -34.014 11.042 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.151 -33.475 9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.574 -33.259 10.818 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.643 -31.498 11.064 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.613 -32.579 12.092 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.012 -35.633 9.213 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.271 -34.361 8.214 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.462 -34.908 9.701 1.00 0.00 H new ATOM 919 N LEU A 58 -5.796 -29.279 10.295 1.00 0.00 N ATOM 920 CA LEU A 58 -5.154 -28.100 10.894 1.00 0.00 C ATOM 921 C LEU A 58 -6.125 -26.956 11.142 1.00 0.00 C ATOM 922 O LEU A 58 -5.859 -26.125 12.007 1.00 0.00 O ATOM 923 CB LEU A 58 -3.980 -27.567 10.082 1.00 0.00 C ATOM 924 CG LEU A 58 -2.860 -28.597 9.930 1.00 0.00 C ATOM 925 CD1 LEU A 58 -3.039 -29.446 8.683 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.508 -27.889 9.908 1.00 0.00 C ATOM 0 H LEU A 58 -5.454 -29.528 9.367 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.780 -28.469 11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.331 -27.268 9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.585 -26.673 10.564 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.901 -29.270 10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.223 -30.165 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.988 -29.979 8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.035 -28.804 7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.713 -28.627 9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.475 -27.194 9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.369 -27.340 10.840 1.00 0.00 H new ATOM 938 N LYS A 59 -7.272 -26.979 10.457 1.00 0.00 N ATOM 939 CA LYS A 59 -8.416 -26.110 10.822 1.00 0.00 C ATOM 940 C LYS A 59 -8.803 -26.159 12.318 1.00 0.00 C ATOM 941 O LYS A 59 -9.375 -25.216 12.849 1.00 0.00 O ATOM 942 CB LYS A 59 -9.629 -26.398 9.940 1.00 0.00 C ATOM 943 CG LYS A 59 -9.448 -25.733 8.568 1.00 0.00 C ATOM 944 CD LYS A 59 -9.804 -24.241 8.506 1.00 0.00 C ATOM 945 CE LYS A 59 -11.304 -23.954 8.422 1.00 0.00 C ATOM 946 NZ LYS A 59 -11.528 -22.524 8.107 1.00 0.00 N ATOM 0 H LYS A 59 -7.442 -27.582 9.652 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.072 -25.092 10.640 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.754 -27.474 9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.534 -26.024 10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.410 -25.854 8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.061 -26.266 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.400 -23.746 9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.312 -23.798 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.760 -24.580 7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.785 -24.207 9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.346 -22.433 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.712 -22.000 8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.683 -22.134 7.642 1.00 0.00 H new ATOM 960 N ALA A 60 -8.455 -27.250 12.995 1.00 0.00 N ATOM 961 CA ALA A 60 -8.509 -27.442 14.450 1.00 0.00 C ATOM 962 C ALA A 60 -7.166 -27.932 15.067 1.00 0.00 C ATOM 963 O ALA A 60 -7.118 -28.307 16.240 1.00 0.00 O ATOM 964 CB ALA A 60 -9.675 -28.394 14.750 1.00 0.00 C ATOM 0 H ALA A 60 -8.105 -28.079 12.516 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.677 -26.477 14.929 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.743 -28.558 15.825 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.605 -27.954 14.390 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.506 -29.346 14.248 1.00 0.00 H new ATOM 970 N LEU A 61 -6.067 -27.939 14.295 1.00 0.00 N ATOM 971 CA LEU A 61 -4.755 -28.498 14.656 1.00 0.00 C ATOM 972 C LEU A 61 -3.557 -27.659 14.142 1.00 0.00 C ATOM 973 O LEU A 61 -2.547 -28.186 13.674 1.00 0.00 O ATOM 974 CB LEU A 61 -4.706 -29.967 14.186 1.00 0.00 C ATOM 975 CG LEU A 61 -4.197 -30.932 15.270 1.00 0.00 C ATOM 976 CD1 LEU A 61 -4.269 -32.371 14.767 1.00 0.00 C ATOM 977 CD2 LEU A 61 -2.750 -30.662 15.688 1.00 0.00 C ATOM 0 H LEU A 61 -6.070 -27.536 13.358 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.648 -28.460 15.740 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.704 -30.275 13.873 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.061 -30.041 13.311 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.842 -30.774 16.135 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.906 -33.046 15.542 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.302 -32.620 14.523 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.650 -32.476 13.876 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.453 -31.377 16.455 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.096 -30.766 14.822 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.669 -29.650 16.085 1.00 0.00 H new ATOM 989 N GLY A 62 -3.642 -26.332 14.252 1.00 0.00 N ATOM 990 CA GLY A 62 -2.560 -25.392 13.928 1.00 0.00 C ATOM 991 C GLY A 62 -1.916 -24.727 15.150 1.00 0.00 C ATOM 992 O GLY A 62 -1.915 -23.501 15.212 1.00 0.00 O ATOM 0 H GLY A 62 -4.488 -25.865 14.578 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.789 -25.922 13.369 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.953 -24.616 13.271 1.00 0.00 H new ATOM 996 N PRO A 63 -1.320 -25.472 16.110 1.00 0.00 N ATOM 997 CA PRO A 63 -0.709 -24.923 17.327 1.00 0.00 C ATOM 998 C PRO A 63 0.654 -24.245 17.063 1.00 0.00 C ATOM 999 O PRO A 63 1.569 -24.357 17.872 1.00 0.00 O ATOM 1000 CB PRO A 63 -0.599 -26.132 18.268 1.00 0.00 C ATOM 1001 CG PRO A 63 -0.251 -27.260 17.300 1.00 0.00 C ATOM 1002 CD PRO A 63 -1.129 -26.918 16.098 1.00 0.00 C ATOM 0 HA PRO A 63 -1.307 -24.120 17.758 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.173 -25.991 19.024 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.532 -26.323 18.797 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.809 -27.268 17.044 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.486 -28.241 17.713 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.654 -27.237 15.170 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.087 -27.434 16.160 1.00 0.00 H new ATOM 1010 N ALA A 64 0.821 -23.616 15.894 1.00 0.00 N ATOM 1011 CA ALA A 64 2.009 -22.866 15.452 1.00 0.00 C ATOM 1012 C ALA A 64 3.391 -23.563 15.573 1.00 0.00 C ATOM 1013 O ALA A 64 4.407 -22.902 15.399 1.00 0.00 O ATOM 1014 CB ALA A 64 1.978 -21.492 16.137 1.00 0.00 C ATOM 0 H ALA A 64 0.087 -23.615 15.186 1.00 0.00 H new ATOM 0 HA ALA A 64 1.926 -22.783 14.368 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.848 -20.912 15.828 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.069 -20.963 15.851 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.995 -21.624 17.219 1.00 0.00 H new ATOM 1020 N ALA A 65 3.441 -24.876 15.836 1.00 0.00 N ATOM 1021 CA ALA A 65 4.690 -25.639 15.995 1.00 0.00 C ATOM 1022 C ALA A 65 4.576 -27.011 15.317 1.00 0.00 C ATOM 1023 O ALA A 65 5.108 -27.201 14.234 1.00 0.00 O ATOM 1024 CB ALA A 65 5.025 -25.739 17.489 1.00 0.00 C ATOM 0 H ALA A 65 2.604 -25.448 15.946 1.00 0.00 H new ATOM 0 HA ALA A 65 5.513 -25.124 15.500 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.949 -26.303 17.618 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.150 -24.738 17.902 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.214 -26.248 18.010 1.00 0.00 H new ATOM 1030 N THR A 66 3.731 -27.925 15.819 1.00 0.00 N ATOM 1031 CA THR A 66 3.389 -29.170 15.083 1.00 0.00 C ATOM 1032 C THR A 66 2.824 -28.888 13.684 1.00 0.00 C ATOM 1033 O THR A 66 2.849 -29.722 12.792 1.00 0.00 O ATOM 1034 CB THR A 66 2.373 -30.026 15.855 1.00 0.00 C ATOM 1035 OG1 THR A 66 2.655 -29.995 17.234 1.00 0.00 O ATOM 1036 CG2 THR A 66 2.408 -31.487 15.422 1.00 0.00 C ATOM 0 H THR A 66 3.271 -27.834 16.725 1.00 0.00 H new ATOM 0 HA THR A 66 4.327 -29.715 14.982 1.00 0.00 H new ATOM 0 HB THR A 66 1.391 -29.605 15.641 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.000 -30.543 17.714 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.674 -32.054 15.994 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.173 -31.557 14.360 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.402 -31.896 15.602 1.00 0.00 H new ATOM 1044 N LEU A 67 2.338 -27.671 13.447 1.00 0.00 N ATOM 1045 CA LEU A 67 1.983 -27.199 12.112 1.00 0.00 C ATOM 1046 C LEU A 67 3.076 -27.494 11.075 1.00 0.00 C ATOM 1047 O LEU A 67 2.759 -28.013 10.017 1.00 0.00 O ATOM 1048 CB LEU A 67 1.715 -25.704 12.238 1.00 0.00 C ATOM 1049 CG LEU A 67 0.974 -24.980 11.090 1.00 0.00 C ATOM 1050 CD1 LEU A 67 1.382 -23.507 11.136 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.292 -25.534 9.722 1.00 0.00 C ATOM 0 H LEU A 67 2.179 -26.981 14.181 1.00 0.00 H new ATOM 0 HA LEU A 67 1.101 -27.726 11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.141 -25.548 13.151 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.675 -25.207 12.376 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.096 -25.123 11.239 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.876 -22.964 10.337 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.100 -23.081 12.099 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.461 -23.424 11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.737 -24.978 8.966 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.361 -25.439 9.530 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.008 -26.586 9.680 1.00 0.00 H new ATOM 1063 N GLU A 68 4.338 -27.194 11.366 1.00 0.00 N ATOM 1064 CA GLU A 68 5.470 -27.399 10.439 1.00 0.00 C ATOM 1065 C GLU A 68 5.497 -28.773 9.762 1.00 0.00 C ATOM 1066 O GLU A 68 5.798 -28.871 8.574 1.00 0.00 O ATOM 1067 CB GLU A 68 6.813 -27.217 11.162 1.00 0.00 C ATOM 1068 CG GLU A 68 6.945 -25.850 11.821 1.00 0.00 C ATOM 1069 CD GLU A 68 8.340 -25.645 12.437 1.00 0.00 C ATOM 1070 OE1 GLU A 68 9.317 -25.614 11.654 1.00 0.00 O ATOM 1071 OE2 GLU A 68 8.415 -25.520 13.681 1.00 0.00 O ATOM 0 H GLU A 68 4.618 -26.796 12.262 1.00 0.00 H new ATOM 0 HA GLU A 68 5.322 -26.645 9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.921 -27.993 11.920 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.626 -27.352 10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.756 -25.071 11.083 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.186 -25.746 12.597 1.00 0.00 H new ATOM 1078 N GLU A 69 5.132 -29.821 10.504 1.00 0.00 N ATOM 1079 CA GLU A 69 4.937 -31.150 9.896 1.00 0.00 C ATOM 1080 C GLU A 69 3.585 -31.278 9.193 1.00 0.00 C ATOM 1081 O GLU A 69 3.496 -31.786 8.076 1.00 0.00 O ATOM 1082 CB GLU A 69 5.129 -32.285 10.915 1.00 0.00 C ATOM 1083 CG GLU A 69 4.161 -32.317 12.105 1.00 0.00 C ATOM 1084 CD GLU A 69 4.227 -33.623 12.913 1.00 0.00 C ATOM 1085 OE1 GLU A 69 5.328 -34.210 13.028 1.00 0.00 O ATOM 1086 OE2 GLU A 69 3.159 -34.008 13.441 1.00 0.00 O ATOM 0 H GLU A 69 4.967 -29.783 11.510 1.00 0.00 H new ATOM 0 HA GLU A 69 5.712 -31.248 9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.048 -33.234 10.385 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.145 -32.223 11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.382 -31.479 12.766 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.144 -32.176 11.740 1.00 0.00 H new ATOM 1093 N MET A 70 2.522 -30.767 9.817 1.00 0.00 N ATOM 1094 CA MET A 70 1.143 -30.933 9.341 1.00 0.00 C ATOM 1095 C MET A 70 0.896 -30.246 7.984 1.00 0.00 C ATOM 1096 O MET A 70 0.105 -30.704 7.155 1.00 0.00 O ATOM 1097 CB MET A 70 0.215 -30.357 10.386 1.00 0.00 C ATOM 1098 CG MET A 70 0.251 -30.956 11.773 1.00 0.00 C ATOM 1099 SD MET A 70 -1.018 -32.198 12.136 1.00 0.00 S ATOM 1100 CE MET A 70 -0.048 -33.699 11.821 1.00 0.00 C ATOM 0 H MET A 70 2.592 -30.221 10.675 1.00 0.00 H new ATOM 0 HA MET A 70 0.956 -31.996 9.188 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.433 -29.293 10.476 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.805 -30.443 10.011 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.230 -31.410 11.926 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.158 -30.148 12.499 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.680 -34.576 11.960 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.328 -33.681 10.798 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.791 -33.742 12.515 1.00 0.00 H new ATOM 1110 N MET A 71 1.623 -29.147 7.778 1.00 0.00 N ATOM 1111 CA MET A 71 1.690 -28.263 6.606 1.00 0.00 C ATOM 1112 C MET A 71 1.709 -29.078 5.314 1.00 0.00 C ATOM 1113 O MET A 71 0.818 -28.941 4.472 1.00 0.00 O ATOM 1114 CB MET A 71 2.958 -27.396 6.783 1.00 0.00 C ATOM 1115 CG MET A 71 3.259 -26.298 5.752 1.00 0.00 C ATOM 1116 SD MET A 71 4.689 -25.282 6.229 1.00 0.00 S ATOM 1117 CE MET A 71 4.120 -24.421 7.712 1.00 0.00 C ATOM 0 H MET A 71 2.251 -28.815 8.510 1.00 0.00 H new ATOM 0 HA MET A 71 0.812 -27.622 6.532 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.898 -26.921 7.762 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.816 -28.068 6.808 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.448 -26.756 4.781 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.383 -25.659 5.638 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.576 -23.432 7.756 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.035 -24.320 7.680 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.405 -24.991 8.596 1.00 0.00 H new ATOM 1127 N THR A 72 2.682 -29.982 5.216 1.00 0.00 N ATOM 1128 CA THR A 72 2.971 -30.825 4.068 1.00 0.00 C ATOM 1129 C THR A 72 2.813 -32.311 4.356 1.00 0.00 C ATOM 1130 O THR A 72 2.813 -33.064 3.391 1.00 0.00 O ATOM 1131 CB THR A 72 4.402 -30.593 3.569 1.00 0.00 C ATOM 1132 OG1 THR A 72 5.223 -29.944 4.521 1.00 0.00 O ATOM 1133 CG2 THR A 72 4.424 -29.772 2.286 1.00 0.00 C ATOM 0 H THR A 72 3.327 -30.152 5.987 1.00 0.00 H new ATOM 0 HA THR A 72 2.240 -30.541 3.311 1.00 0.00 H new ATOM 0 HB THR A 72 4.801 -31.590 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.035 -29.615 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.455 -29.629 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.870 -30.298 1.508 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.962 -28.801 2.467 1.00 0.00 H new ATOM 1141 N ALA A 73 2.622 -32.776 5.599 1.00 0.00 N ATOM 1142 CA ALA A 73 2.321 -34.191 5.876 1.00 0.00 C ATOM 1143 C ALA A 73 1.120 -34.687 5.057 1.00 0.00 C ATOM 1144 O ALA A 73 1.080 -35.848 4.650 1.00 0.00 O ATOM 1145 CB ALA A 73 2.078 -34.413 7.374 1.00 0.00 C ATOM 0 H ALA A 73 2.671 -32.191 6.433 1.00 0.00 H new ATOM 0 HA ALA A 73 3.191 -34.774 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.858 -35.465 7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.969 -34.128 7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.235 -33.804 7.700 1.00 0.00 H new ATOM 1151 N CYS A 74 0.211 -33.762 4.725 1.00 0.00 N ATOM 1152 CA CYS A 74 -0.877 -33.961 3.775 1.00 0.00 C ATOM 1153 C CYS A 74 -0.467 -34.724 2.495 1.00 0.00 C ATOM 1154 O CYS A 74 -1.134 -35.683 2.109 1.00 0.00 O ATOM 1155 CB CYS A 74 -1.451 -32.565 3.481 1.00 0.00 C ATOM 1156 SG CYS A 74 -0.280 -31.465 2.630 1.00 0.00 S ATOM 0 H CYS A 74 0.218 -32.825 5.127 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.633 -34.614 4.211 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.348 -32.671 2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.757 -32.102 4.419 1.00 0.00 H new ATOM 0 HG CYS A 74 0.069 -30.501 3.429 1.00 0.00 H new ATOM 1162 N GLN A 75 0.666 -34.358 1.883 1.00 0.00 N ATOM 1163 CA GLN A 75 1.102 -34.890 0.591 1.00 0.00 C ATOM 1164 C GLN A 75 1.583 -36.347 0.683 1.00 0.00 C ATOM 1165 O GLN A 75 1.461 -37.115 -0.265 1.00 0.00 O ATOM 1166 CB GLN A 75 2.167 -33.929 0.031 1.00 0.00 C ATOM 1167 CG GLN A 75 3.569 -34.030 0.663 1.00 0.00 C ATOM 1168 CD GLN A 75 4.628 -34.762 -0.158 1.00 0.00 C ATOM 1169 OE1 GLN A 75 4.377 -35.608 -0.995 1.00 0.00 O ATOM 1170 NE2 GLN A 75 5.888 -34.477 0.089 1.00 0.00 N ATOM 0 H GLN A 75 1.312 -33.675 2.278 1.00 0.00 H new ATOM 0 HA GLN A 75 0.260 -34.937 -0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.260 -34.106 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.807 -32.908 0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.928 -33.020 0.863 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.475 -34.532 1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.124 -33.771 0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.629 -34.962 -0.417 1.00 0.00 H new