USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 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 34 SER OG : rot 78:sc= 1.26 USER MOD Set 1.2: A 42 THR OG1 : rot 148:sc= 1.16 USER MOD Set 1.3: A 44 THR OG1 : rot -45:sc= 1.92 USER MOD Set 2.1: A 26 LYS NZ :NH3+ 143:sc= 1.81 (180deg=0.335) USER MOD Set 2.2: A 27 THR OG1 : rot 180:sc= 0.637 USER MOD Set 3.1: A 25 TYR OH : rot 141:sc= 0.0213 USER MOD Set 3.2: A 39 ASN :FLIP amide:sc= -5.43! C(o=-7!,f=-5.4!) USER MOD Single : A 11 GLN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 30:sc= -0.654 USER MOD Single : A 32 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.8) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 142:sc= 1.21 (180deg=0.591) USER MOD Single : A 41 MET CE :methyl 166:sc=-0.00425 (180deg=-0.227) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 49 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.017) USER MOD Single : A 51 ASN : amide:sc= -0.921 K(o=-0.92,f=-8.4!) USER MOD Single : A 54 CYS SG : rot -139:sc= -0.195 USER MOD Single : A 55 LYS NZ :NH3+ -106:sc= -0.944 (180deg=-5.43!) USER MOD Single : A 56 THR OG1 : rot 82:sc= 0.151 USER MOD Single : A 59 LYS NZ :NH3+ -144:sc= 1.31 (180deg=-0.25) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -140:sc= -0.212 (180deg=-0.913) USER MOD Single : A 72 THR OG1 : rot -152:sc= 1.22 USER MOD Single : A 74 CYS SG : rot 85:sc= -0.445 USER MOD Single : A 75 GLN :FLIP amide:sc= 0 F(o=-0.84!,f=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 6.057 -11.609 3.990 1.00 0.00 N ATOM 71 CA ILE A 6 4.599 -11.723 4.186 1.00 0.00 C ATOM 72 C ILE A 6 4.169 -11.319 5.588 1.00 0.00 C ATOM 73 O ILE A 6 3.086 -10.774 5.722 1.00 0.00 O ATOM 74 CB ILE A 6 4.028 -13.120 3.836 1.00 0.00 C ATOM 75 CG1 ILE A 6 3.950 -14.153 4.990 1.00 0.00 C ATOM 76 CG2 ILE A 6 4.834 -13.750 2.697 1.00 0.00 C ATOM 77 CD1 ILE A 6 2.632 -14.168 5.790 1.00 0.00 C ATOM 0 HA ILE A 6 4.173 -11.016 3.474 1.00 0.00 H new ATOM 0 HB ILE A 6 2.996 -12.905 3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.112 -15.147 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.770 -13.960 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.423 -14.731 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.779 -13.111 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.875 -13.857 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.689 -14.927 6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.472 -13.191 6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.803 -14.397 5.121 1.00 0.00 H new ATOM 89 N LEU A 7 4.988 -11.621 6.602 1.00 0.00 N ATOM 90 CA LEU A 7 4.710 -11.537 8.055 1.00 0.00 C ATOM 91 C LEU A 7 4.297 -10.156 8.641 1.00 0.00 C ATOM 92 O LEU A 7 4.230 -9.983 9.854 1.00 0.00 O ATOM 93 CB LEU A 7 5.853 -12.249 8.821 1.00 0.00 C ATOM 94 CG LEU A 7 7.306 -11.839 8.496 1.00 0.00 C ATOM 95 CD1 LEU A 7 7.597 -10.380 8.847 1.00 0.00 C ATOM 96 CD2 LEU A 7 8.287 -12.724 9.270 1.00 0.00 C ATOM 0 H LEU A 7 5.935 -11.956 6.424 1.00 0.00 H new ATOM 0 HA LEU A 7 3.770 -12.066 8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.691 -12.090 9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.760 -13.320 8.641 1.00 0.00 H new ATOM 0 HG LEU A 7 7.431 -11.965 7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.632 -10.145 8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.931 -9.730 8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.436 -10.223 9.914 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.309 -12.427 9.034 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.114 -12.610 10.340 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.138 -13.766 8.988 1.00 0.00 H new ATOM 108 N ASP A 8 3.998 -9.206 7.762 1.00 0.00 N ATOM 109 CA ASP A 8 3.367 -7.900 7.991 1.00 0.00 C ATOM 110 C ASP A 8 1.841 -7.960 7.753 1.00 0.00 C ATOM 111 O ASP A 8 1.065 -7.285 8.430 1.00 0.00 O ATOM 112 CB ASP A 8 4.031 -6.947 6.988 1.00 0.00 C ATOM 113 CG ASP A 8 3.401 -5.552 6.904 1.00 0.00 C ATOM 114 OD1 ASP A 8 3.560 -4.789 7.882 1.00 0.00 O ATOM 115 OD2 ASP A 8 2.831 -5.245 5.830 1.00 0.00 O ATOM 0 H ASP A 8 4.210 -9.339 6.773 1.00 0.00 H new ATOM 0 HA ASP A 8 3.501 -7.571 9.022 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.082 -6.839 7.254 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.998 -7.404 5.999 1.00 0.00 H new ATOM 120 N ILE A 9 1.374 -8.819 6.834 1.00 0.00 N ATOM 121 CA ILE A 9 -0.057 -9.018 6.583 1.00 0.00 C ATOM 122 C ILE A 9 -0.732 -9.783 7.726 1.00 0.00 C ATOM 123 O ILE A 9 -0.099 -10.506 8.498 1.00 0.00 O ATOM 124 CB ILE A 9 -0.361 -9.702 5.231 1.00 0.00 C ATOM 125 CG1 ILE A 9 -0.109 -11.227 5.192 1.00 0.00 C ATOM 126 CG2 ILE A 9 0.362 -9.001 4.069 1.00 0.00 C ATOM 127 CD1 ILE A 9 -1.027 -11.920 4.177 1.00 0.00 C ATOM 0 H ILE A 9 1.979 -9.393 6.246 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.479 -8.014 6.530 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.438 -9.588 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.932 -11.419 4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.274 -11.650 6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.125 -9.509 3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.036 -7.963 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.438 -9.034 4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.824 -12.991 4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.068 -11.749 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.842 -11.514 3.183 1.00 0.00 H new ATOM 139 N ARG A 10 -2.072 -9.743 7.746 1.00 0.00 N ATOM 140 CA ARG A 10 -2.883 -10.585 8.635 1.00 0.00 C ATOM 141 C ARG A 10 -2.529 -12.067 8.520 1.00 0.00 C ATOM 142 O ARG A 10 -2.586 -12.638 7.435 1.00 0.00 O ATOM 143 CB ARG A 10 -4.392 -10.362 8.396 1.00 0.00 C ATOM 144 CG ARG A 10 -4.928 -10.737 6.994 1.00 0.00 C ATOM 145 CD ARG A 10 -5.268 -12.233 6.806 1.00 0.00 C ATOM 146 NE ARG A 10 -6.702 -12.460 6.526 1.00 0.00 N ATOM 147 CZ ARG A 10 -7.230 -13.163 5.538 1.00 0.00 C ATOM 148 NH1 ARG A 10 -6.511 -13.736 4.611 1.00 0.00 N ATOM 149 NH2 ARG A 10 -8.525 -13.304 5.473 1.00 0.00 N ATOM 0 H ARG A 10 -2.622 -9.127 7.147 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.647 -10.278 9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.944 -10.938 9.138 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.615 -9.311 8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.823 -10.148 6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.185 -10.452 6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.673 -12.637 5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.986 -12.782 7.705 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.361 -12.023 7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.495 -13.652 4.629 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.966 -14.268 3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.121 -12.874 6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.942 -13.844 4.715 1.00 0.00 H new ATOM 163 N GLN A 11 -2.257 -12.701 9.654 1.00 0.00 N ATOM 164 CA GLN A 11 -2.237 -14.151 9.752 1.00 0.00 C ATOM 165 C GLN A 11 -3.682 -14.641 9.914 1.00 0.00 C ATOM 166 O GLN A 11 -4.553 -13.958 10.449 1.00 0.00 O ATOM 167 CB GLN A 11 -1.296 -14.657 10.856 1.00 0.00 C ATOM 168 CG GLN A 11 -1.815 -14.369 12.272 1.00 0.00 C ATOM 169 CD GLN A 11 -0.861 -14.777 13.396 1.00 0.00 C ATOM 170 OE1 GLN A 11 -1.279 -15.122 14.486 1.00 0.00 O ATOM 171 NE2 GLN A 11 0.439 -14.767 13.194 1.00 0.00 N ATOM 0 H GLN A 11 -2.045 -12.223 10.530 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.822 -14.573 8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.154 -15.731 10.739 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.318 -14.191 10.733 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.022 -13.302 12.359 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.762 -14.890 12.410 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.812 -14.482 12.289 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.074 -15.045 13.943 1.00 0.00 H new ATOM 180 N GLY A 12 -3.923 -15.843 9.413 1.00 0.00 N ATOM 181 CA GLY A 12 -5.230 -16.524 9.446 1.00 0.00 C ATOM 182 C GLY A 12 -5.573 -17.373 8.212 1.00 0.00 C ATOM 183 O GLY A 12 -6.573 -17.093 7.557 1.00 0.00 O ATOM 0 H GLY A 12 -3.199 -16.397 8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.262 -17.167 10.326 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.008 -15.771 9.573 1.00 0.00 H new ATOM 187 N PRO A 13 -4.777 -18.408 7.900 1.00 0.00 N ATOM 188 CA PRO A 13 -4.920 -19.255 6.707 1.00 0.00 C ATOM 189 C PRO A 13 -6.079 -20.265 6.764 1.00 0.00 C ATOM 190 O PRO A 13 -6.584 -20.676 5.726 1.00 0.00 O ATOM 191 CB PRO A 13 -3.603 -20.034 6.673 1.00 0.00 C ATOM 192 CG PRO A 13 -3.298 -20.213 8.161 1.00 0.00 C ATOM 193 CD PRO A 13 -3.654 -18.849 8.710 1.00 0.00 C ATOM 0 HA PRO A 13 -5.135 -18.635 5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.708 -20.990 6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.816 -19.482 6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.898 -21.005 8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.253 -20.466 8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.924 -18.905 9.765 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.814 -18.159 8.632 1.00 0.00 H new ATOM 201 N LYS A 14 -6.476 -20.643 7.994 1.00 0.00 N ATOM 202 CA LYS A 14 -7.371 -21.763 8.384 1.00 0.00 C ATOM 203 C LYS A 14 -8.620 -22.009 7.528 1.00 0.00 C ATOM 204 O LYS A 14 -9.000 -23.152 7.305 1.00 0.00 O ATOM 205 CB LYS A 14 -7.736 -21.635 9.879 1.00 0.00 C ATOM 206 CG LYS A 14 -8.524 -20.361 10.249 1.00 0.00 C ATOM 207 CD LYS A 14 -8.613 -20.190 11.773 1.00 0.00 C ATOM 208 CE LYS A 14 -9.433 -18.942 12.126 1.00 0.00 C ATOM 209 NZ LYS A 14 -9.363 -18.645 13.580 1.00 0.00 N ATOM 0 H LYS A 14 -6.154 -20.132 8.816 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.779 -22.657 8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.324 -22.506 10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.818 -21.660 10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.039 -19.489 9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.527 -20.415 9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.073 -21.072 12.218 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.611 -20.106 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.062 -18.088 11.560 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.472 -19.092 11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.927 -17.796 13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.740 -19.452 14.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.373 -18.479 13.853 1.00 0.00 H new ATOM 223 N GLU A 15 -9.228 -20.931 7.047 1.00 0.00 N ATOM 224 CA GLU A 15 -10.428 -20.913 6.223 1.00 0.00 C ATOM 225 C GLU A 15 -10.103 -20.473 4.776 1.00 0.00 C ATOM 226 O GLU A 15 -10.420 -21.236 3.852 1.00 0.00 O ATOM 227 CB GLU A 15 -11.454 -20.035 6.973 1.00 0.00 C ATOM 228 CG GLU A 15 -12.779 -19.755 6.264 1.00 0.00 C ATOM 229 CD GLU A 15 -12.653 -18.856 5.028 1.00 0.00 C ATOM 230 OE1 GLU A 15 -12.151 -17.725 5.163 1.00 0.00 O ATOM 231 OE2 GLU A 15 -13.003 -19.365 3.936 1.00 0.00 O ATOM 0 H GLU A 15 -8.875 -19.992 7.233 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.864 -21.903 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.675 -20.513 7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.981 -19.079 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.226 -20.703 5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.465 -19.288 6.971 1.00 0.00 H new ATOM 238 N PRO A 16 -9.420 -19.331 4.527 1.00 0.00 N ATOM 239 CA PRO A 16 -9.259 -18.777 3.181 1.00 0.00 C ATOM 240 C PRO A 16 -8.079 -19.397 2.404 1.00 0.00 C ATOM 241 O PRO A 16 -7.371 -18.664 1.723 1.00 0.00 O ATOM 242 CB PRO A 16 -9.098 -17.263 3.409 1.00 0.00 C ATOM 243 CG PRO A 16 -8.291 -17.220 4.698 1.00 0.00 C ATOM 244 CD PRO A 16 -8.951 -18.337 5.496 1.00 0.00 C ATOM 0 HA PRO A 16 -10.115 -19.006 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.575 -16.780 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.060 -16.762 3.513 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.231 -17.407 4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.367 -16.255 5.199 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.243 -18.783 6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.782 -17.951 6.087 1.00 0.00 H new ATOM 252 N PHE A 17 -7.837 -20.719 2.484 1.00 0.00 N ATOM 253 CA PHE A 17 -6.609 -21.373 1.960 1.00 0.00 C ATOM 254 C PHE A 17 -6.140 -20.807 0.612 1.00 0.00 C ATOM 255 O PHE A 17 -5.004 -20.382 0.497 1.00 0.00 O ATOM 256 CB PHE A 17 -6.759 -22.913 1.841 1.00 0.00 C ATOM 257 CG PHE A 17 -5.849 -23.734 2.761 1.00 0.00 C ATOM 258 CD1 PHE A 17 -5.833 -23.416 4.129 1.00 0.00 C ATOM 259 CD2 PHE A 17 -5.013 -24.787 2.302 1.00 0.00 C ATOM 260 CE1 PHE A 17 -4.919 -24.021 5.002 1.00 0.00 C ATOM 261 CE2 PHE A 17 -4.115 -25.420 3.189 1.00 0.00 C ATOM 262 CZ PHE A 17 -4.042 -25.003 4.529 1.00 0.00 C ATOM 0 H PHE A 17 -8.489 -21.374 2.916 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.846 -21.146 2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.795 -23.178 2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.560 -23.202 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.537 -22.693 4.514 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.064 -25.104 1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.892 -23.729 6.041 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.485 -26.224 2.838 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.310 -25.440 5.192 1.00 0.00 H new ATOM 272 N ARG A 18 -7.038 -20.771 -0.382 1.00 0.00 N ATOM 273 CA ARG A 18 -6.859 -20.217 -1.744 1.00 0.00 C ATOM 274 C ARG A 18 -6.530 -18.712 -1.760 1.00 0.00 C ATOM 275 O ARG A 18 -5.523 -18.261 -2.313 1.00 0.00 O ATOM 276 CB ARG A 18 -8.112 -20.502 -2.619 1.00 0.00 C ATOM 277 CG ARG A 18 -9.291 -21.294 -2.006 1.00 0.00 C ATOM 278 CD ARG A 18 -10.163 -20.473 -1.039 1.00 0.00 C ATOM 279 NE ARG A 18 -11.180 -19.701 -1.773 1.00 0.00 N ATOM 280 CZ ARG A 18 -11.861 -18.667 -1.312 1.00 0.00 C ATOM 281 NH1 ARG A 18 -11.879 -18.336 -0.048 1.00 0.00 N ATOM 282 NH2 ARG A 18 -12.512 -17.898 -2.131 1.00 0.00 N ATOM 0 H ARG A 18 -7.975 -21.153 -0.254 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.992 -20.727 -2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.502 -19.542 -2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.778 -21.042 -3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.919 -21.673 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.896 -22.161 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.650 -21.140 -0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.534 -19.796 -0.462 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.378 -19.993 -2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.352 -18.885 0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.420 -17.528 0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.498 -18.092 -3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.037 -17.100 -1.773 1.00 0.00 H new ATOM 296 N ASP A 19 -7.404 -17.973 -1.090 1.00 0.00 N ATOM 297 CA ASP A 19 -7.416 -16.496 -0.983 1.00 0.00 C ATOM 298 C ASP A 19 -6.281 -15.963 -0.086 1.00 0.00 C ATOM 299 O ASP A 19 -6.092 -14.756 0.070 1.00 0.00 O ATOM 300 CB ASP A 19 -8.787 -15.990 -0.485 1.00 0.00 C ATOM 301 CG ASP A 19 -9.952 -16.207 -1.460 1.00 0.00 C ATOM 302 OD1 ASP A 19 -9.784 -16.960 -2.446 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.080 -15.748 -1.157 1.00 0.00 O ATOM 0 H ASP A 19 -8.173 -18.400 -0.573 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.243 -16.106 -1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.022 -16.489 0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.708 -14.925 -0.269 1.00 0.00 H new ATOM 308 N TYR A 20 -5.503 -16.884 0.483 1.00 0.00 N ATOM 309 CA TYR A 20 -4.252 -16.647 1.190 1.00 0.00 C ATOM 310 C TYR A 20 -3.050 -17.244 0.422 1.00 0.00 C ATOM 311 O TYR A 20 -2.057 -16.542 0.269 1.00 0.00 O ATOM 312 CB TYR A 20 -4.404 -17.192 2.625 1.00 0.00 C ATOM 313 CG TYR A 20 -3.530 -16.547 3.691 1.00 0.00 C ATOM 314 CD1 TYR A 20 -2.141 -16.429 3.502 1.00 0.00 C ATOM 315 CD2 TYR A 20 -4.101 -16.093 4.900 1.00 0.00 C ATOM 316 CE1 TYR A 20 -1.322 -15.902 4.509 1.00 0.00 C ATOM 317 CE2 TYR A 20 -3.280 -15.560 5.912 1.00 0.00 C ATOM 318 CZ TYR A 20 -1.884 -15.495 5.727 1.00 0.00 C ATOM 319 OH TYR A 20 -1.068 -15.094 6.729 1.00 0.00 O ATOM 0 H TYR A 20 -5.747 -17.874 0.459 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.039 -15.580 1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.446 -17.080 2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.190 -18.261 2.609 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.701 -16.749 2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.169 -16.155 5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.258 -15.809 4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.720 -15.201 6.831 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.256 -14.697 6.350 1.00 0.00 H new ATOM 329 N VAL A 21 -3.110 -18.482 -0.092 1.00 0.00 N ATOM 330 CA VAL A 21 -1.958 -19.222 -0.669 1.00 0.00 C ATOM 331 C VAL A 21 -1.325 -18.539 -1.863 1.00 0.00 C ATOM 332 O VAL A 21 -0.098 -18.440 -1.915 1.00 0.00 O ATOM 333 CB VAL A 21 -2.309 -20.692 -1.011 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.208 -20.893 -2.231 1.00 0.00 C ATOM 335 CG2 VAL A 21 -1.075 -21.562 -1.208 1.00 0.00 C ATOM 0 H VAL A 21 -3.978 -19.016 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.211 -19.223 0.125 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.870 -20.999 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.389 -21.958 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.157 -20.382 -2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.719 -20.483 -3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.382 -22.581 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.476 -21.164 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.482 -21.565 -0.293 1.00 0.00 H new ATOM 345 N ASP A 22 -2.144 -18.004 -2.770 1.00 0.00 N ATOM 346 CA ASP A 22 -1.654 -17.189 -3.894 1.00 0.00 C ATOM 347 C ASP A 22 -0.791 -16.031 -3.394 1.00 0.00 C ATOM 348 O ASP A 22 0.411 -15.889 -3.636 1.00 0.00 O ATOM 349 CB ASP A 22 -2.887 -16.639 -4.610 1.00 0.00 C ATOM 350 CG ASP A 22 -2.563 -15.711 -5.782 1.00 0.00 C ATOM 351 OD1 ASP A 22 -2.288 -16.230 -6.877 1.00 0.00 O ATOM 352 OD2 ASP A 22 -2.596 -14.474 -5.562 1.00 0.00 O ATOM 0 H ASP A 22 -3.157 -18.119 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.038 -17.793 -4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.485 -17.474 -4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.501 -16.098 -3.890 1.00 0.00 H new ATOM 357 N ARG A 23 -1.483 -15.261 -2.566 1.00 0.00 N ATOM 358 CA ARG A 23 -1.032 -14.027 -1.928 1.00 0.00 C ATOM 359 C ARG A 23 0.201 -14.252 -1.065 1.00 0.00 C ATOM 360 O ARG A 23 1.043 -13.355 -1.014 1.00 0.00 O ATOM 361 CB ARG A 23 -2.160 -13.348 -1.118 1.00 0.00 C ATOM 362 CG ARG A 23 -3.602 -13.781 -1.391 1.00 0.00 C ATOM 363 CD ARG A 23 -4.020 -13.637 -2.852 1.00 0.00 C ATOM 364 NE ARG A 23 -4.681 -12.368 -3.139 1.00 0.00 N ATOM 365 CZ ARG A 23 -5.015 -11.973 -4.358 1.00 0.00 C ATOM 366 NH1 ARG A 23 -4.577 -12.566 -5.438 1.00 0.00 N ATOM 367 NH2 ARG A 23 -5.785 -10.933 -4.524 1.00 0.00 N ATOM 0 H ARG A 23 -2.440 -15.496 -2.303 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.751 -13.347 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.957 -13.513 -0.060 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.095 -12.274 -1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.723 -14.821 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.274 -13.188 -0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.139 -13.732 -3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.690 -14.456 -3.114 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.898 -11.751 -2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.951 -13.368 -5.361 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.861 -12.227 -6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.132 -10.421 -3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.040 -10.632 -5.465 1.00 0.00 H new ATOM 381 N PHE A 24 0.329 -15.410 -0.427 1.00 0.00 N ATOM 382 CA PHE A 24 1.508 -15.785 0.334 1.00 0.00 C ATOM 383 C PHE A 24 2.727 -15.956 -0.588 1.00 0.00 C ATOM 384 O PHE A 24 3.657 -15.137 -0.561 1.00 0.00 O ATOM 385 CB PHE A 24 1.186 -17.060 1.123 1.00 0.00 C ATOM 386 CG PHE A 24 2.338 -17.506 1.981 1.00 0.00 C ATOM 387 CD1 PHE A 24 3.419 -18.186 1.404 1.00 0.00 C ATOM 388 CD2 PHE A 24 2.371 -17.184 3.345 1.00 0.00 C ATOM 389 CE1 PHE A 24 4.583 -18.401 2.142 1.00 0.00 C ATOM 390 CE2 PHE A 24 3.510 -17.480 4.103 1.00 0.00 C ATOM 391 CZ PHE A 24 4.644 -18.043 3.495 1.00 0.00 C ATOM 0 H PHE A 24 -0.398 -16.125 -0.426 1.00 0.00 H new ATOM 0 HA PHE A 24 1.772 -14.995 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.314 -16.885 1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.923 -17.858 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.351 -18.544 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.520 -16.709 3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.444 -18.847 1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.517 -17.274 5.163 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.550 -18.198 4.062 1.00 0.00 H new ATOM 401 N TYR A 25 2.707 -17.001 -1.431 1.00 0.00 N ATOM 402 CA TYR A 25 3.902 -17.392 -2.190 1.00 0.00 C ATOM 403 C TYR A 25 4.282 -16.304 -3.221 1.00 0.00 C ATOM 404 O TYR A 25 5.469 -16.148 -3.495 1.00 0.00 O ATOM 405 CB TYR A 25 3.743 -18.792 -2.821 1.00 0.00 C ATOM 406 CG TYR A 25 3.854 -20.054 -1.944 1.00 0.00 C ATOM 407 CD1 TYR A 25 5.094 -20.717 -1.759 1.00 0.00 C ATOM 408 CD2 TYR A 25 2.684 -20.689 -1.472 1.00 0.00 C ATOM 409 CE1 TYR A 25 5.118 -22.069 -1.328 1.00 0.00 C ATOM 410 CE2 TYR A 25 2.722 -22.001 -0.956 1.00 0.00 C ATOM 411 CZ TYR A 25 3.928 -22.730 -0.948 1.00 0.00 C ATOM 412 OH TYR A 25 3.970 -24.034 -0.531 1.00 0.00 O ATOM 0 H TYR A 25 1.887 -17.583 -1.602 1.00 0.00 H new ATOM 0 HA TYR A 25 4.737 -17.470 -1.494 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.767 -18.819 -3.305 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.492 -18.879 -3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.020 -20.193 -1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.743 -20.160 -1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.058 -22.600 -1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.821 -22.450 -0.564 1.00 0.00 H new ATOM 0 HH TYR A 25 3.346 -24.159 0.214 1.00 0.00 H new ATOM 422 N LYS A 26 3.327 -15.475 -3.691 1.00 0.00 N ATOM 423 CA LYS A 26 3.542 -14.258 -4.508 1.00 0.00 C ATOM 424 C LYS A 26 4.703 -13.378 -4.029 1.00 0.00 C ATOM 425 O LYS A 26 5.435 -12.836 -4.859 1.00 0.00 O ATOM 426 CB LYS A 26 2.206 -13.477 -4.555 1.00 0.00 C ATOM 427 CG LYS A 26 2.245 -12.082 -5.208 1.00 0.00 C ATOM 428 CD LYS A 26 2.701 -10.909 -4.312 1.00 0.00 C ATOM 429 CE LYS A 26 1.650 -10.397 -3.313 1.00 0.00 C ATOM 430 NZ LYS A 26 1.836 -10.936 -1.943 1.00 0.00 N ATOM 0 H LYS A 26 2.338 -15.642 -3.504 1.00 0.00 H new ATOM 0 HA LYS A 26 3.843 -14.566 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.476 -14.083 -5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.841 -13.365 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.909 -12.129 -6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.248 -11.855 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.585 -11.221 -3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.003 -10.080 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.692 -9.308 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.656 -10.666 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.604 -10.200 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.209 -11.754 -1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.825 -11.232 -1.818 1.00 0.00 H new ATOM 444 N THR A 27 4.810 -13.191 -2.709 1.00 0.00 N ATOM 445 CA THR A 27 5.847 -12.378 -2.053 1.00 0.00 C ATOM 446 C THR A 27 6.934 -13.264 -1.489 1.00 0.00 C ATOM 447 O THR A 27 8.074 -13.114 -1.920 1.00 0.00 O ATOM 448 CB THR A 27 5.313 -11.459 -0.925 1.00 0.00 C ATOM 449 OG1 THR A 27 4.036 -11.836 -0.438 1.00 0.00 O ATOM 450 CG2 THR A 27 5.169 -10.017 -1.393 1.00 0.00 C ATOM 0 H THR A 27 4.160 -13.612 -2.046 1.00 0.00 H new ATOM 0 HA THR A 27 6.240 -11.728 -2.834 1.00 0.00 H new ATOM 0 HB THR A 27 6.057 -11.560 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.760 -11.218 0.270 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.792 -9.405 -0.574 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.141 -9.639 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.471 -9.974 -2.229 1.00 0.00 H new ATOM 458 N LEU A 28 6.550 -14.225 -0.634 1.00 0.00 N ATOM 459 CA LEU A 28 7.482 -15.070 0.132 1.00 0.00 C ATOM 460 C LEU A 28 8.675 -15.572 -0.677 1.00 0.00 C ATOM 461 O LEU A 28 9.804 -15.433 -0.235 1.00 0.00 O ATOM 462 CB LEU A 28 6.734 -16.232 0.801 1.00 0.00 C ATOM 463 CG LEU A 28 7.607 -17.154 1.684 1.00 0.00 C ATOM 464 CD1 LEU A 28 8.233 -18.291 0.870 1.00 0.00 C ATOM 465 CD2 LEU A 28 8.591 -16.440 2.605 1.00 0.00 C ATOM 0 H LEU A 28 5.570 -14.440 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 28 7.907 -14.427 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.931 -15.822 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.265 -16.836 0.025 1.00 0.00 H new ATOM 0 HG LEU A 28 6.914 -17.611 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.839 -18.917 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.444 -18.894 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.862 -17.872 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.152 -17.177 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.280 -15.843 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.044 -15.789 3.287 1.00 0.00 H new ATOM 477 N ARG A 29 8.402 -16.103 -1.874 1.00 0.00 N ATOM 478 CA ARG A 29 9.286 -16.877 -2.775 1.00 0.00 C ATOM 479 C ARG A 29 10.761 -16.473 -2.981 1.00 0.00 C ATOM 480 O ARG A 29 11.446 -17.201 -3.696 1.00 0.00 O ATOM 481 CB ARG A 29 8.556 -17.061 -4.117 1.00 0.00 C ATOM 482 CG ARG A 29 8.121 -15.738 -4.775 1.00 0.00 C ATOM 483 CD ARG A 29 9.231 -14.948 -5.479 1.00 0.00 C ATOM 484 NE ARG A 29 8.716 -13.658 -5.980 1.00 0.00 N ATOM 485 CZ ARG A 29 7.865 -13.471 -6.975 1.00 0.00 C ATOM 486 NH1 ARG A 29 7.487 -14.454 -7.746 1.00 0.00 N ATOM 487 NH2 ARG A 29 7.355 -12.294 -7.206 1.00 0.00 N ATOM 0 H ARG A 29 7.473 -15.996 -2.281 1.00 0.00 H new ATOM 0 HA ARG A 29 9.447 -17.803 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.208 -17.600 -4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.676 -17.684 -3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.338 -15.955 -5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.677 -15.102 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.054 -14.772 -4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.631 -15.532 -6.308 1.00 0.00 H new ATOM 0 HE ARG A 29 9.053 -12.820 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.849 -15.394 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.829 -14.282 -8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.611 -11.502 -6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.700 -12.164 -7.977 1.00 0.00 H new ATOM 501 N ALA A 30 11.235 -15.343 -2.462 1.00 0.00 N ATOM 502 CA ALA A 30 12.658 -15.012 -2.397 1.00 0.00 C ATOM 503 C ALA A 30 13.274 -15.595 -1.108 1.00 0.00 C ATOM 504 O ALA A 30 14.157 -16.453 -1.176 1.00 0.00 O ATOM 505 CB ALA A 30 12.808 -13.487 -2.470 1.00 0.00 C ATOM 0 H ALA A 30 10.633 -14.620 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 30 13.196 -15.452 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.864 -13.223 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.385 -13.124 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.282 -13.029 -1.633 1.00 0.00 H new ATOM 511 N GLU A 31 12.772 -15.199 0.066 1.00 0.00 N ATOM 512 CA GLU A 31 13.100 -15.854 1.333 1.00 0.00 C ATOM 513 C GLU A 31 12.565 -17.299 1.334 1.00 0.00 C ATOM 514 O GLU A 31 11.422 -17.531 0.962 1.00 0.00 O ATOM 515 CB GLU A 31 12.488 -15.093 2.528 1.00 0.00 C ATOM 516 CG GLU A 31 12.924 -13.626 2.685 1.00 0.00 C ATOM 517 CD GLU A 31 11.878 -12.626 2.160 1.00 0.00 C ATOM 518 OE1 GLU A 31 11.699 -12.579 0.923 1.00 0.00 O ATOM 519 OE2 GLU A 31 11.292 -11.893 2.998 1.00 0.00 O ATOM 0 H GLU A 31 12.127 -14.415 0.163 1.00 0.00 H new ATOM 0 HA GLU A 31 14.185 -15.857 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.402 -15.121 2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.743 -15.627 3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.117 -13.421 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.863 -13.473 2.153 1.00 0.00 H new ATOM 526 N GLN A 32 13.340 -18.280 1.818 1.00 0.00 N ATOM 527 CA GLN A 32 12.879 -19.665 2.081 1.00 0.00 C ATOM 528 C GLN A 32 11.879 -20.285 1.066 1.00 0.00 C ATOM 529 O GLN A 32 10.985 -21.024 1.468 1.00 0.00 O ATOM 530 CB GLN A 32 12.368 -19.746 3.533 1.00 0.00 C ATOM 531 CG GLN A 32 11.121 -18.895 3.848 1.00 0.00 C ATOM 532 CD GLN A 32 10.736 -18.912 5.319 1.00 0.00 C ATOM 533 OE1 GLN A 32 11.497 -19.282 6.197 1.00 0.00 O ATOM 534 NE2 GLN A 32 9.522 -18.514 5.621 1.00 0.00 N ATOM 0 H GLN A 32 14.324 -18.138 2.044 1.00 0.00 H new ATOM 0 HA GLN A 32 13.753 -20.300 1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.143 -20.787 3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 32 13.173 -19.439 4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.305 -17.866 3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.282 -19.260 3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.888 -18.205 4.884 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.212 -18.514 6.593 1.00 0.00 H new ATOM 543 N ALA A 33 12.065 -20.027 -0.236 1.00 0.00 N ATOM 544 CA ALA A 33 11.114 -20.249 -1.338 1.00 0.00 C ATOM 545 C ALA A 33 10.047 -21.375 -1.244 1.00 0.00 C ATOM 546 O ALA A 33 8.912 -21.128 -1.647 1.00 0.00 O ATOM 547 CB ALA A 33 11.914 -20.335 -2.643 1.00 0.00 C ATOM 0 H ALA A 33 12.943 -19.631 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 33 10.453 -19.384 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.232 -20.500 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.459 -19.404 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.620 -21.163 -2.583 1.00 0.00 H new ATOM 553 N SER A 34 10.387 -22.574 -0.753 1.00 0.00 N ATOM 554 CA SER A 34 9.495 -23.714 -0.414 1.00 0.00 C ATOM 555 C SER A 34 8.341 -24.086 -1.370 1.00 0.00 C ATOM 556 O SER A 34 7.459 -24.828 -0.964 1.00 0.00 O ATOM 557 CB SER A 34 8.965 -23.592 1.025 1.00 0.00 C ATOM 558 OG SER A 34 10.042 -23.447 1.925 1.00 0.00 O ATOM 0 H SER A 34 11.364 -22.799 -0.565 1.00 0.00 H new ATOM 0 HA SER A 34 10.178 -24.554 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.297 -22.735 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.381 -24.476 1.283 1.00 0.00 H new ATOM 0 HG SER A 34 10.376 -22.526 1.890 1.00 0.00 H new ATOM 564 N GLN A 35 8.337 -23.672 -2.647 1.00 0.00 N ATOM 565 CA GLN A 35 7.300 -24.032 -3.646 1.00 0.00 C ATOM 566 C GLN A 35 7.086 -25.557 -3.830 1.00 0.00 C ATOM 567 O GLN A 35 6.141 -26.006 -4.475 1.00 0.00 O ATOM 568 CB GLN A 35 7.636 -23.351 -4.985 1.00 0.00 C ATOM 569 CG GLN A 35 6.370 -22.972 -5.771 1.00 0.00 C ATOM 570 CD GLN A 35 6.670 -22.559 -7.206 1.00 0.00 C ATOM 571 OE1 GLN A 35 6.167 -23.104 -8.168 1.00 0.00 O ATOM 572 NE2 GLN A 35 7.522 -21.584 -7.426 1.00 0.00 N ATOM 0 H GLN A 35 9.064 -23.067 -3.028 1.00 0.00 H new ATOM 0 HA GLN A 35 6.348 -23.667 -3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.228 -22.455 -4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.251 -24.020 -5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.684 -23.819 -5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.862 -22.154 -5.261 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.963 -21.105 -6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.743 -21.306 -8.382 1.00 0.00 H new ATOM 581 N GLU A 36 7.999 -26.356 -3.283 1.00 0.00 N ATOM 582 CA GLU A 36 7.889 -27.795 -3.098 1.00 0.00 C ATOM 583 C GLU A 36 6.649 -28.151 -2.243 1.00 0.00 C ATOM 584 O GLU A 36 6.569 -27.794 -1.071 1.00 0.00 O ATOM 585 CB GLU A 36 9.191 -28.241 -2.412 1.00 0.00 C ATOM 586 CG GLU A 36 9.211 -29.746 -2.179 1.00 0.00 C ATOM 587 CD GLU A 36 10.380 -30.167 -1.273 1.00 0.00 C ATOM 588 OE1 GLU A 36 10.369 -29.808 -0.072 1.00 0.00 O ATOM 589 OE2 GLU A 36 11.258 -30.932 -1.712 1.00 0.00 O ATOM 0 H GLU A 36 8.887 -25.991 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 36 7.757 -28.308 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.044 -27.956 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.298 -27.723 -1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.270 -30.056 -1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.289 -30.261 -3.136 1.00 0.00 H new ATOM 596 N VAL A 37 5.722 -28.948 -2.800 1.00 0.00 N ATOM 597 CA VAL A 37 4.459 -29.414 -2.167 1.00 0.00 C ATOM 598 C VAL A 37 4.555 -29.835 -0.697 1.00 0.00 C ATOM 599 O VAL A 37 3.646 -29.586 0.090 1.00 0.00 O ATOM 600 CB VAL A 37 3.861 -30.566 -3.000 1.00 0.00 C ATOM 601 CG1 VAL A 37 4.635 -31.893 -2.951 1.00 0.00 C ATOM 602 CG2 VAL A 37 2.406 -30.849 -2.617 1.00 0.00 C ATOM 0 H VAL A 37 5.830 -29.307 -3.749 1.00 0.00 H new ATOM 0 HA VAL A 37 3.811 -28.538 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 37 3.934 -30.192 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.128 -32.633 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.647 -31.738 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.680 -32.250 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.022 -31.667 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.354 -31.126 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.805 -29.956 -2.787 1.00 0.00 H new ATOM 612 N LYS A 38 5.673 -30.471 -0.344 1.00 0.00 N ATOM 613 CA LYS A 38 6.086 -30.906 0.977 1.00 0.00 C ATOM 614 C LYS A 38 5.989 -29.821 2.053 1.00 0.00 C ATOM 615 O LYS A 38 5.560 -30.158 3.149 1.00 0.00 O ATOM 616 CB LYS A 38 7.516 -31.388 0.743 1.00 0.00 C ATOM 617 CG LYS A 38 8.178 -32.069 1.923 1.00 0.00 C ATOM 618 CD LYS A 38 8.903 -31.093 2.875 1.00 0.00 C ATOM 619 CE LYS A 38 10.375 -31.464 3.113 1.00 0.00 C ATOM 620 NZ LYS A 38 11.188 -31.405 1.865 1.00 0.00 N ATOM 0 H LYS A 38 6.372 -30.714 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 38 5.430 -31.678 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.514 -32.080 -0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.126 -30.533 0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.423 -32.618 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.895 -32.802 1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.851 -30.086 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.381 -31.073 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.802 -30.787 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.430 -32.469 3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.132 -31.027 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.282 -32.361 1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.718 -30.786 1.174 1.00 0.00 H new ATOM 634 N ASN A 39 6.380 -28.589 1.717 1.00 0.00 N ATOM 635 CA ASN A 39 6.289 -27.271 2.377 1.00 0.00 C ATOM 636 C ASN A 39 6.397 -27.078 3.922 1.00 0.00 C ATOM 637 O ASN A 39 6.718 -25.972 4.344 1.00 0.00 O ATOM 638 CB ASN A 39 5.053 -26.576 1.792 1.00 0.00 C ATOM 639 CG ASN A 39 5.079 -25.102 2.071 1.00 0.00 C ATOM 640 OD1 ASN A 39 3.931 -24.557 2.337 1.00 0.00 O flip ATOM 641 ND2 ASN A 39 6.081 -24.418 1.988 1.00 0.00 N flip ATOM 0 H ASN A 39 6.850 -28.471 0.819 1.00 0.00 H new ATOM 0 HA ASN A 39 7.254 -26.820 2.146 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.012 -26.745 0.716 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.150 -27.014 2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.980 -24.853 1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.023 -23.409 2.128 1.00 0.00 H new ATOM 648 N ALA A 40 6.183 -28.080 4.781 1.00 0.00 N ATOM 649 CA ALA A 40 6.094 -27.998 6.252 1.00 0.00 C ATOM 650 C ALA A 40 7.419 -27.642 6.979 1.00 0.00 C ATOM 651 O ALA A 40 7.975 -28.444 7.729 1.00 0.00 O ATOM 652 CB ALA A 40 5.480 -29.316 6.742 1.00 0.00 C ATOM 0 H ALA A 40 6.058 -29.037 4.450 1.00 0.00 H new ATOM 0 HA ALA A 40 5.459 -27.151 6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.396 -29.297 7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.490 -29.441 6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.117 -30.148 6.442 1.00 0.00 H new ATOM 658 N MET A 41 7.977 -26.470 6.665 1.00 0.00 N ATOM 659 CA MET A 41 9.304 -25.979 7.068 1.00 0.00 C ATOM 660 C MET A 41 9.397 -24.438 7.181 1.00 0.00 C ATOM 661 O MET A 41 10.492 -23.916 7.382 1.00 0.00 O ATOM 662 CB MET A 41 10.360 -26.460 6.047 1.00 0.00 C ATOM 663 CG MET A 41 10.436 -27.985 5.899 1.00 0.00 C ATOM 664 SD MET A 41 11.876 -28.634 4.997 1.00 0.00 S ATOM 665 CE MET A 41 13.203 -28.235 6.169 1.00 0.00 C ATOM 0 H MET A 41 7.484 -25.792 6.084 1.00 0.00 H new ATOM 0 HA MET A 41 9.487 -26.384 8.063 1.00 0.00 H new ATOM 0 HB2 MET A 41 10.136 -26.022 5.074 1.00 0.00 H new ATOM 0 HB3 MET A 41 11.338 -26.085 6.348 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.429 -28.427 6.896 1.00 0.00 H new ATOM 0 HG3 MET A 41 9.533 -28.325 5.393 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.107 -28.778 5.893 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.401 -27.163 6.144 1.00 0.00 H new ATOM 0 HE3 MET A 41 12.899 -28.524 7.175 1.00 0.00 H new ATOM 675 N THR A 42 8.296 -23.694 7.014 1.00 0.00 N ATOM 676 CA THR A 42 8.272 -22.220 6.875 1.00 0.00 C ATOM 677 C THR A 42 6.939 -21.616 7.335 1.00 0.00 C ATOM 678 O THR A 42 5.977 -22.338 7.565 1.00 0.00 O ATOM 679 CB THR A 42 8.468 -21.818 5.401 1.00 0.00 C ATOM 680 OG1 THR A 42 7.627 -22.570 4.569 1.00 0.00 O ATOM 681 CG2 THR A 42 9.878 -22.066 4.886 1.00 0.00 C ATOM 0 H THR A 42 7.365 -24.108 6.970 1.00 0.00 H new ATOM 0 HA THR A 42 9.079 -21.841 7.502 1.00 0.00 H new ATOM 0 HB THR A 42 8.246 -20.751 5.373 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.364 -22.029 3.795 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.943 -21.760 3.842 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.588 -21.489 5.478 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.114 -23.127 4.968 1.00 0.00 H new ATOM 689 N GLU A 43 6.838 -20.279 7.387 1.00 0.00 N ATOM 690 CA GLU A 43 5.567 -19.544 7.607 1.00 0.00 C ATOM 691 C GLU A 43 4.507 -19.738 6.508 1.00 0.00 C ATOM 692 O GLU A 43 3.424 -19.172 6.564 1.00 0.00 O ATOM 693 CB GLU A 43 5.844 -18.046 7.784 1.00 0.00 C ATOM 694 CG GLU A 43 6.386 -17.329 6.539 1.00 0.00 C ATOM 695 CD GLU A 43 7.362 -16.202 6.908 1.00 0.00 C ATOM 696 OE1 GLU A 43 8.496 -16.572 7.284 1.00 0.00 O ATOM 697 OE2 GLU A 43 6.997 -15.012 6.769 1.00 0.00 O ATOM 0 H GLU A 43 7.643 -19.663 7.277 1.00 0.00 H new ATOM 0 HA GLU A 43 5.144 -19.976 8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.920 -17.556 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.559 -17.919 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.890 -18.050 5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.555 -16.917 5.966 1.00 0.00 H new ATOM 704 N THR A 44 4.848 -20.477 5.467 1.00 0.00 N ATOM 705 CA THR A 44 4.022 -20.965 4.364 1.00 0.00 C ATOM 706 C THR A 44 2.874 -21.869 4.807 1.00 0.00 C ATOM 707 O THR A 44 2.837 -23.053 4.489 1.00 0.00 O ATOM 708 CB THR A 44 4.927 -21.641 3.335 1.00 0.00 C ATOM 709 OG1 THR A 44 6.145 -20.970 3.139 1.00 0.00 O ATOM 710 CG2 THR A 44 4.295 -21.672 1.964 1.00 0.00 C ATOM 0 H THR A 44 5.814 -20.786 5.357 1.00 0.00 H new ATOM 0 HA THR A 44 3.526 -20.107 3.910 1.00 0.00 H new ATOM 0 HB THR A 44 5.086 -22.637 3.749 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.978 -20.008 3.050 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.971 -22.161 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.357 -22.225 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.100 -20.653 1.630 1.00 0.00 H new ATOM 718 N LEU A 45 1.915 -21.295 5.535 1.00 0.00 N ATOM 719 CA LEU A 45 0.771 -21.976 6.176 1.00 0.00 C ATOM 720 C LEU A 45 -0.225 -22.706 5.218 1.00 0.00 C ATOM 721 O LEU A 45 -1.383 -22.909 5.577 1.00 0.00 O ATOM 722 CB LEU A 45 0.001 -21.009 7.118 1.00 0.00 C ATOM 723 CG LEU A 45 0.696 -19.771 7.714 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.503 -18.558 6.772 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.164 -19.370 9.093 1.00 0.00 C ATOM 0 H LEU A 45 1.908 -20.290 5.707 1.00 0.00 H new ATOM 0 HA LEU A 45 1.237 -22.777 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.871 -20.654 6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.369 -21.603 7.954 1.00 0.00 H new ATOM 0 HG LEU A 45 1.745 -20.045 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.996 -17.684 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.938 -18.781 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.561 -18.353 6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.701 -18.491 9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.899 -19.141 9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.311 -20.192 9.793 1.00 0.00 H new ATOM 737 N LEU A 46 0.154 -23.014 3.974 1.00 0.00 N ATOM 738 CA LEU A 46 -0.694 -23.484 2.873 1.00 0.00 C ATOM 739 C LEU A 46 0.141 -23.894 1.643 1.00 0.00 C ATOM 740 O LEU A 46 1.337 -23.638 1.585 1.00 0.00 O ATOM 741 CB LEU A 46 -1.770 -22.430 2.523 1.00 0.00 C ATOM 742 CG LEU A 46 -1.415 -20.922 2.476 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.042 -20.174 3.640 1.00 0.00 C ATOM 744 CD2 LEU A 46 0.053 -20.492 2.323 1.00 0.00 C ATOM 0 H LEU A 46 1.130 -22.936 3.689 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.212 -24.383 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.173 -22.695 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.579 -22.547 3.244 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.847 -20.645 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.775 -19.119 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.126 -20.277 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.675 -20.588 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.114 -19.404 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.634 -20.877 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.453 -20.890 1.390 1.00 0.00 H new ATOM 756 N VAL A 47 -0.468 -24.535 0.637 1.00 0.00 N ATOM 757 CA VAL A 47 0.239 -25.152 -0.501 1.00 0.00 C ATOM 758 C VAL A 47 -0.532 -24.941 -1.796 1.00 0.00 C ATOM 759 O VAL A 47 -1.728 -25.222 -1.879 1.00 0.00 O ATOM 760 CB VAL A 47 0.435 -26.661 -0.279 1.00 0.00 C ATOM 761 CG1 VAL A 47 1.292 -27.288 -1.376 1.00 0.00 C ATOM 762 CG2 VAL A 47 1.147 -26.921 1.039 1.00 0.00 C ATOM 0 H VAL A 47 -1.481 -24.643 0.587 1.00 0.00 H new ATOM 0 HA VAL A 47 1.214 -24.670 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.562 -27.102 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.407 -28.355 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.809 -27.144 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.273 -26.813 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.276 -27.994 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.123 -26.437 1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.553 -26.518 1.859 1.00 0.00 H new ATOM 772 N GLN A 48 0.168 -24.435 -2.809 1.00 0.00 N ATOM 773 CA GLN A 48 -0.401 -24.133 -4.128 1.00 0.00 C ATOM 774 C GLN A 48 -1.051 -25.359 -4.796 1.00 0.00 C ATOM 775 O GLN A 48 -2.096 -25.219 -5.421 1.00 0.00 O ATOM 776 CB GLN A 48 0.678 -23.478 -5.002 1.00 0.00 C ATOM 777 CG GLN A 48 0.996 -22.078 -4.459 1.00 0.00 C ATOM 778 CD GLN A 48 2.179 -21.434 -5.155 1.00 0.00 C ATOM 779 OE1 GLN A 48 3.246 -22.003 -5.288 1.00 0.00 O ATOM 780 NE2 GLN A 48 2.050 -20.219 -5.631 1.00 0.00 N ATOM 0 H GLN A 48 1.162 -24.219 -2.739 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.221 -23.427 -4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.579 -24.091 -5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.333 -23.410 -6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.120 -21.440 -4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.201 -22.145 -3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.164 -19.723 -5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.835 -19.770 -6.102 1.00 0.00 H new ATOM 789 N ASN A 49 -0.535 -26.568 -4.546 1.00 0.00 N ATOM 790 CA ASN A 49 -1.134 -27.866 -4.901 1.00 0.00 C ATOM 791 C ASN A 49 -2.235 -28.314 -3.890 1.00 0.00 C ATOM 792 O ASN A 49 -2.272 -29.463 -3.435 1.00 0.00 O ATOM 793 CB ASN A 49 0.036 -28.857 -5.037 1.00 0.00 C ATOM 794 CG ASN A 49 -0.319 -30.180 -5.680 1.00 0.00 C ATOM 795 OD1 ASN A 49 -0.325 -30.353 -6.884 1.00 0.00 O ATOM 796 ND2 ASN A 49 -0.585 -31.167 -4.872 1.00 0.00 N ATOM 0 H ASN A 49 0.358 -26.676 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.677 -27.807 -5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.826 -28.386 -5.622 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.446 -29.050 -4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.800 -32.090 -5.248 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.579 -31.016 -3.863 1.00 0.00 H new ATOM 803 N ALA A 50 -3.083 -27.389 -3.431 1.00 0.00 N ATOM 804 CA ALA A 50 -4.236 -27.693 -2.576 1.00 0.00 C ATOM 805 C ALA A 50 -5.214 -28.719 -3.203 1.00 0.00 C ATOM 806 O ALA A 50 -5.347 -28.807 -4.418 1.00 0.00 O ATOM 807 CB ALA A 50 -4.961 -26.381 -2.256 1.00 0.00 C ATOM 0 H ALA A 50 -2.988 -26.396 -3.645 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.864 -28.162 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.822 -26.587 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.280 -25.706 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.297 -25.916 -3.183 1.00 0.00 H new ATOM 813 N ASN A 51 -5.988 -29.427 -2.366 1.00 0.00 N ATOM 814 CA ASN A 51 -7.035 -30.375 -2.795 1.00 0.00 C ATOM 815 C ASN A 51 -8.356 -30.150 -2.000 1.00 0.00 C ATOM 816 O ASN A 51 -8.298 -29.520 -0.928 1.00 0.00 O ATOM 817 CB ASN A 51 -6.461 -31.825 -2.777 1.00 0.00 C ATOM 818 CG ASN A 51 -6.777 -32.696 -1.565 1.00 0.00 C ATOM 819 OD1 ASN A 51 -7.273 -32.246 -0.548 1.00 0.00 O ATOM 820 ND2 ASN A 51 -6.521 -33.980 -1.639 1.00 0.00 N ATOM 0 H ASN A 51 -5.904 -29.357 -1.352 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.327 -30.193 -3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.825 -32.341 -3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.377 -31.758 -2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.737 -34.589 -0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.106 -34.369 -2.485 1.00 0.00 H new ATOM 827 N PRO A 52 -9.528 -30.610 -2.496 1.00 0.00 N ATOM 828 CA PRO A 52 -10.843 -30.325 -1.896 1.00 0.00 C ATOM 829 C PRO A 52 -11.106 -31.071 -0.573 1.00 0.00 C ATOM 830 O PRO A 52 -11.794 -30.552 0.306 1.00 0.00 O ATOM 831 CB PRO A 52 -11.869 -30.718 -2.965 1.00 0.00 C ATOM 832 CG PRO A 52 -11.160 -31.801 -3.772 1.00 0.00 C ATOM 833 CD PRO A 52 -9.698 -31.362 -3.735 1.00 0.00 C ATOM 0 HA PRO A 52 -10.902 -29.273 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.790 -31.092 -2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.141 -29.867 -3.590 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.296 -32.787 -3.329 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.538 -31.856 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.032 -32.225 -3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.455 -30.746 -4.601 1.00 0.00 H new ATOM 841 N ASP A 53 -10.516 -32.255 -0.424 1.00 0.00 N ATOM 842 CA ASP A 53 -10.528 -33.090 0.778 1.00 0.00 C ATOM 843 C ASP A 53 -9.926 -32.335 1.984 1.00 0.00 C ATOM 844 O ASP A 53 -10.676 -31.897 2.863 1.00 0.00 O ATOM 845 CB ASP A 53 -9.805 -34.386 0.384 1.00 0.00 C ATOM 846 CG ASP A 53 -9.521 -35.307 1.561 1.00 0.00 C ATOM 847 OD1 ASP A 53 -10.419 -36.121 1.868 1.00 0.00 O ATOM 848 OD2 ASP A 53 -8.391 -35.187 2.082 1.00 0.00 O ATOM 0 H ASP A 53 -9.985 -32.683 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.532 -33.339 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.410 -34.921 -0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.864 -34.133 -0.104 1.00 0.00 H new ATOM 853 N CYS A 54 -8.631 -31.982 1.952 1.00 0.00 N ATOM 854 CA CYS A 54 -8.022 -31.121 2.979 1.00 0.00 C ATOM 855 C CYS A 54 -8.783 -29.808 3.169 1.00 0.00 C ATOM 856 O CYS A 54 -8.855 -29.251 4.253 1.00 0.00 O ATOM 857 CB CYS A 54 -6.557 -30.805 2.658 1.00 0.00 C ATOM 858 SG CYS A 54 -5.512 -31.824 3.744 1.00 0.00 S ATOM 0 H CYS A 54 -7.983 -32.281 1.223 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.075 -31.690 3.907 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.341 -31.019 1.611 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.352 -29.746 2.816 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.509 -31.116 4.170 1.00 0.00 H new ATOM 864 N LYS A 55 -9.335 -29.232 2.103 1.00 0.00 N ATOM 865 CA LYS A 55 -10.137 -28.002 2.207 1.00 0.00 C ATOM 866 C LYS A 55 -11.280 -28.168 3.203 1.00 0.00 C ATOM 867 O LYS A 55 -11.328 -27.394 4.148 1.00 0.00 O ATOM 868 CB LYS A 55 -10.673 -27.607 0.835 1.00 0.00 C ATOM 869 CG LYS A 55 -10.146 -26.270 0.295 1.00 0.00 C ATOM 870 CD LYS A 55 -8.710 -26.280 -0.261 1.00 0.00 C ATOM 871 CE LYS A 55 -7.582 -26.170 0.773 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.181 -27.478 1.341 1.00 0.00 N ATOM 0 H LYS A 55 -9.245 -29.593 1.153 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.491 -27.205 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.423 -28.394 0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.761 -27.558 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.817 -25.931 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.198 -25.533 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.568 -27.201 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.610 -25.455 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.715 -25.703 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.902 -25.513 1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.541 -27.559 2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.577 -28.245 0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.144 -27.550 1.349 1.00 0.00 H new ATOM 886 N THR A 56 -12.120 -29.183 3.021 1.00 0.00 N ATOM 887 CA THR A 56 -13.226 -29.518 3.933 1.00 0.00 C ATOM 888 C THR A 56 -12.730 -29.796 5.358 1.00 0.00 C ATOM 889 O THR A 56 -13.433 -29.518 6.325 1.00 0.00 O ATOM 890 CB THR A 56 -14.003 -30.722 3.374 1.00 0.00 C ATOM 891 OG1 THR A 56 -14.380 -30.436 2.043 1.00 0.00 O ATOM 892 CG2 THR A 56 -15.297 -31.014 4.131 1.00 0.00 C ATOM 0 H THR A 56 -12.055 -29.813 2.221 1.00 0.00 H new ATOM 0 HA THR A 56 -13.892 -28.657 3.996 1.00 0.00 H new ATOM 0 HB THR A 56 -13.342 -31.584 3.464 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.626 -30.617 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.794 -31.875 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.067 -31.229 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.955 -30.146 4.076 1.00 0.00 H new ATOM 900 N ILE A 57 -11.490 -30.279 5.471 1.00 0.00 N ATOM 901 CA ILE A 57 -10.852 -30.663 6.745 1.00 0.00 C ATOM 902 C ILE A 57 -10.367 -29.442 7.534 1.00 0.00 C ATOM 903 O ILE A 57 -10.973 -29.117 8.555 1.00 0.00 O ATOM 904 CB ILE A 57 -9.736 -31.695 6.473 1.00 0.00 C ATOM 905 CG1 ILE A 57 -10.393 -33.042 6.100 1.00 0.00 C ATOM 906 CG2 ILE A 57 -8.726 -31.890 7.619 1.00 0.00 C ATOM 907 CD1 ILE A 57 -9.442 -33.948 5.325 1.00 0.00 C ATOM 0 H ILE A 57 -10.883 -30.419 4.664 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.594 -31.138 7.387 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.141 -31.295 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.718 -33.550 7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.285 -32.857 5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.985 -32.634 7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.227 -30.944 7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.250 -32.230 8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.946 -34.884 5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.137 -33.452 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.562 -34.157 5.933 1.00 0.00 H new ATOM 919 N LEU A 58 -9.325 -28.717 7.088 1.00 0.00 N ATOM 920 CA LEU A 58 -8.760 -27.613 7.881 1.00 0.00 C ATOM 921 C LEU A 58 -9.759 -26.478 8.119 1.00 0.00 C ATOM 922 O LEU A 58 -9.644 -25.763 9.114 1.00 0.00 O ATOM 923 CB LEU A 58 -7.502 -27.020 7.237 1.00 0.00 C ATOM 924 CG LEU A 58 -6.354 -28.022 7.061 1.00 0.00 C ATOM 925 CD1 LEU A 58 -6.422 -28.789 5.748 1.00 0.00 C ATOM 926 CD2 LEU A 58 -5.025 -27.270 7.097 1.00 0.00 C ATOM 0 H LEU A 58 -8.862 -28.874 6.193 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.503 -28.064 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.765 -26.611 6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.152 -26.188 7.848 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.440 -28.743 7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.582 -29.480 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.356 -29.348 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.377 -28.088 4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.204 -27.976 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.999 -26.538 6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.922 -26.759 8.054 1.00 0.00 H new ATOM 938 N LYS A 59 -10.778 -26.392 7.253 1.00 0.00 N ATOM 939 CA LYS A 59 -11.959 -25.530 7.467 1.00 0.00 C ATOM 940 C LYS A 59 -12.575 -25.640 8.874 1.00 0.00 C ATOM 941 O LYS A 59 -13.090 -24.651 9.387 1.00 0.00 O ATOM 942 CB LYS A 59 -13.031 -25.800 6.408 1.00 0.00 C ATOM 943 CG LYS A 59 -12.760 -25.037 5.107 1.00 0.00 C ATOM 944 CD LYS A 59 -13.395 -23.644 5.076 1.00 0.00 C ATOM 945 CE LYS A 59 -13.171 -23.041 3.685 1.00 0.00 C ATOM 946 NZ LYS A 59 -13.932 -21.788 3.498 1.00 0.00 N ATOM 0 H LYS A 59 -10.811 -26.918 6.380 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.589 -24.509 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.073 -26.869 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.007 -25.513 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.683 -24.941 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.138 -25.620 4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.461 -23.708 5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.951 -23.008 5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.108 -22.845 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.468 -23.763 2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.269 -21.730 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.747 -21.777 4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.317 -20.975 3.702 1.00 0.00 H new ATOM 960 N ALA A 60 -12.464 -26.812 9.503 1.00 0.00 N ATOM 961 CA ALA A 60 -12.838 -27.090 10.894 1.00 0.00 C ATOM 962 C ALA A 60 -11.665 -27.630 11.754 1.00 0.00 C ATOM 963 O ALA A 60 -11.845 -27.920 12.935 1.00 0.00 O ATOM 964 CB ALA A 60 -14.032 -28.053 10.875 1.00 0.00 C ATOM 0 H ALA A 60 -12.091 -27.637 9.032 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.115 -26.153 11.378 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -14.334 -28.279 11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -14.864 -27.590 10.345 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -13.748 -28.975 10.369 1.00 0.00 H new ATOM 970 N LEU A 61 -10.452 -27.724 11.191 1.00 0.00 N ATOM 971 CA LEU A 61 -9.254 -28.302 11.807 1.00 0.00 C ATOM 972 C LEU A 61 -8.046 -27.352 11.723 1.00 0.00 C ATOM 973 O LEU A 61 -6.914 -27.754 11.458 1.00 0.00 O ATOM 974 CB LEU A 61 -8.985 -29.692 11.198 1.00 0.00 C ATOM 975 CG LEU A 61 -8.791 -30.772 12.277 1.00 0.00 C ATOM 976 CD1 LEU A 61 -8.609 -32.135 11.617 1.00 0.00 C ATOM 977 CD2 LEU A 61 -7.585 -30.517 13.188 1.00 0.00 C ATOM 0 H LEU A 61 -10.273 -27.381 10.247 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.428 -28.437 12.875 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.818 -29.971 10.553 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.096 -29.645 10.569 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.687 -30.743 12.897 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.472 -32.896 12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.492 -32.373 11.024 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.733 -32.112 10.969 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.509 -31.317 13.924 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.675 -30.489 12.588 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.711 -29.563 13.701 1.00 0.00 H new ATOM 989 N GLY A 62 -8.283 -26.065 11.982 1.00 0.00 N ATOM 990 CA GLY A 62 -7.252 -25.024 11.990 1.00 0.00 C ATOM 991 C GLY A 62 -6.934 -24.433 13.373 1.00 0.00 C ATOM 992 O GLY A 62 -6.989 -23.207 13.496 1.00 0.00 O ATOM 0 H GLY A 62 -9.215 -25.709 12.196 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.336 -25.438 11.570 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.568 -24.216 11.331 1.00 0.00 H new ATOM 996 N PRO A 63 -6.610 -25.231 14.420 1.00 0.00 N ATOM 997 CA PRO A 63 -6.287 -24.749 15.772 1.00 0.00 C ATOM 998 C PRO A 63 -4.847 -24.205 15.888 1.00 0.00 C ATOM 999 O PRO A 63 -4.187 -24.382 16.904 1.00 0.00 O ATOM 1000 CB PRO A 63 -6.520 -25.971 16.673 1.00 0.00 C ATOM 1001 CG PRO A 63 -6.002 -27.108 15.797 1.00 0.00 C ATOM 1002 CD PRO A 63 -6.499 -26.689 14.414 1.00 0.00 C ATOM 0 HA PRO A 63 -6.907 -23.898 16.056 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.972 -25.897 17.612 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.573 -26.097 16.927 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.916 -27.190 15.834 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.405 -28.074 16.101 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.807 -27.019 13.640 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.463 -27.148 14.196 1.00 0.00 H new ATOM 1010 N ALA A 64 -4.333 -23.612 14.805 1.00 0.00 N ATOM 1011 CA ALA A 64 -2.979 -23.047 14.683 1.00 0.00 C ATOM 1012 C ALA A 64 -1.796 -23.964 15.099 1.00 0.00 C ATOM 1013 O ALA A 64 -0.715 -23.465 15.386 1.00 0.00 O ATOM 1014 CB ALA A 64 -2.965 -21.673 15.371 1.00 0.00 C ATOM 0 H ALA A 64 -4.874 -23.506 13.947 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.780 -22.940 13.617 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.969 -21.237 15.292 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.688 -21.017 14.887 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.227 -21.790 16.422 1.00 0.00 H new ATOM 1020 N ALA A 65 -1.980 -25.291 15.096 1.00 0.00 N ATOM 1021 CA ALA A 65 -0.904 -26.267 15.308 1.00 0.00 C ATOM 1022 C ALA A 65 -1.003 -27.440 14.322 1.00 0.00 C ATOM 1023 O ALA A 65 -0.132 -27.597 13.480 1.00 0.00 O ATOM 1024 CB ALA A 65 -0.932 -26.726 16.772 1.00 0.00 C ATOM 0 H ALA A 65 -2.892 -25.722 14.944 1.00 0.00 H new ATOM 0 HA ALA A 65 0.059 -25.797 15.110 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.136 -27.452 16.941 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.784 -25.866 17.426 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.896 -27.186 16.991 1.00 0.00 H new ATOM 1030 N THR A 66 -2.105 -28.199 14.311 1.00 0.00 N ATOM 1031 CA THR A 66 -2.289 -29.315 13.357 1.00 0.00 C ATOM 1032 C THR A 66 -2.208 -28.898 11.886 1.00 0.00 C ATOM 1033 O THR A 66 -1.933 -29.706 11.013 1.00 0.00 O ATOM 1034 CB THR A 66 -3.643 -30.007 13.559 1.00 0.00 C ATOM 1035 OG1 THR A 66 -4.024 -30.014 14.918 1.00 0.00 O ATOM 1036 CG2 THR A 66 -3.600 -31.461 13.101 1.00 0.00 C ATOM 0 H THR A 66 -2.888 -28.066 14.951 1.00 0.00 H new ATOM 0 HA THR A 66 -1.461 -29.990 13.573 1.00 0.00 H new ATOM 0 HB THR A 66 -4.360 -29.440 12.965 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.891 -30.460 15.012 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.576 -31.921 13.258 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.346 -31.501 12.042 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.847 -32.001 13.675 1.00 0.00 H new ATOM 1044 N LEU A 67 -2.441 -27.626 11.562 1.00 0.00 N ATOM 1045 CA LEU A 67 -2.334 -27.158 10.177 1.00 0.00 C ATOM 1046 C LEU A 67 -1.000 -27.544 9.539 1.00 0.00 C ATOM 1047 O LEU A 67 -0.986 -28.018 8.417 1.00 0.00 O ATOM 1048 CB LEU A 67 -2.531 -25.652 10.183 1.00 0.00 C ATOM 1049 CG LEU A 67 -2.735 -24.909 8.840 1.00 0.00 C ATOM 1050 CD1 LEU A 67 -2.297 -23.467 9.052 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -1.973 -25.461 7.658 1.00 0.00 C ATOM 0 H LEU A 67 -2.703 -26.904 12.233 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.101 -27.638 9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.396 -25.437 10.811 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.664 -25.210 10.673 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.788 -25.026 8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.426 -22.908 8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.903 -23.014 9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.248 -23.445 9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.192 -24.864 6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.904 -25.424 7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.273 -26.494 7.482 1.00 0.00 H new ATOM 1063 N GLU A 68 0.092 -27.380 10.265 1.00 0.00 N ATOM 1064 CA GLU A 68 1.463 -27.621 9.803 1.00 0.00 C ATOM 1065 C GLU A 68 1.643 -28.908 8.986 1.00 0.00 C ATOM 1066 O GLU A 68 2.378 -28.908 8.002 1.00 0.00 O ATOM 1067 CB GLU A 68 2.383 -27.670 11.029 1.00 0.00 C ATOM 1068 CG GLU A 68 2.294 -26.419 11.900 1.00 0.00 C ATOM 1069 CD GLU A 68 3.094 -25.234 11.355 1.00 0.00 C ATOM 1070 OE1 GLU A 68 2.491 -24.476 10.560 1.00 0.00 O ATOM 1071 OE2 GLU A 68 4.272 -25.084 11.747 1.00 0.00 O ATOM 0 H GLU A 68 0.055 -27.062 11.234 1.00 0.00 H new ATOM 0 HA GLU A 68 1.715 -26.803 9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.129 -28.542 11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.413 -27.801 10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.248 -26.127 11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.651 -26.658 12.902 1.00 0.00 H new ATOM 1078 N GLU A 69 0.923 -29.978 9.331 1.00 0.00 N ATOM 1079 CA GLU A 69 0.898 -31.188 8.483 1.00 0.00 C ATOM 1080 C GLU A 69 -0.247 -31.199 7.463 1.00 0.00 C ATOM 1081 O GLU A 69 -0.086 -31.647 6.321 1.00 0.00 O ATOM 1082 CB GLU A 69 0.838 -32.423 9.377 1.00 0.00 C ATOM 1083 CG GLU A 69 -0.492 -32.545 10.129 1.00 0.00 C ATOM 1084 CD GLU A 69 -0.419 -33.540 11.292 1.00 0.00 C ATOM 1085 OE1 GLU A 69 0.492 -34.401 11.278 1.00 0.00 O ATOM 1086 OE2 GLU A 69 -1.251 -33.389 12.217 1.00 0.00 O ATOM 0 H GLU A 69 0.356 -30.039 10.176 1.00 0.00 H new ATOM 0 HA GLU A 69 1.815 -31.191 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.990 -33.315 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.656 -32.385 10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.781 -31.566 10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.271 -32.859 9.434 1.00 0.00 H new ATOM 1093 N MET A 70 -1.403 -30.650 7.848 1.00 0.00 N ATOM 1094 CA MET A 70 -2.605 -30.610 7.008 1.00 0.00 C ATOM 1095 C MET A 70 -2.405 -29.756 5.736 1.00 0.00 C ATOM 1096 O MET A 70 -3.037 -29.981 4.698 1.00 0.00 O ATOM 1097 CB MET A 70 -3.755 -30.091 7.847 1.00 0.00 C ATOM 1098 CG MET A 70 -3.998 -30.790 9.167 1.00 0.00 C ATOM 1099 SD MET A 70 -5.447 -31.870 9.251 1.00 0.00 S ATOM 1100 CE MET A 70 -4.736 -33.404 8.579 1.00 0.00 C ATOM 0 H MET A 70 -1.532 -30.216 8.762 1.00 0.00 H new ATOM 0 HA MET A 70 -2.825 -31.618 6.656 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.581 -29.034 8.048 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.667 -30.156 7.253 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.116 -31.383 9.407 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.092 -30.031 9.943 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.500 -34.181 8.560 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.375 -33.225 7.566 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.906 -33.726 9.208 1.00 0.00 H new ATOM 1110 N MET A 71 -1.456 -28.814 5.834 1.00 0.00 N ATOM 1111 CA MET A 71 -0.842 -27.982 4.790 1.00 0.00 C ATOM 1112 C MET A 71 -0.548 -28.848 3.568 1.00 0.00 C ATOM 1113 O MET A 71 -1.013 -28.554 2.468 1.00 0.00 O ATOM 1114 CB MET A 71 0.465 -27.372 5.373 1.00 0.00 C ATOM 1115 CG MET A 71 1.423 -26.686 4.374 1.00 0.00 C ATOM 1116 SD MET A 71 3.104 -26.382 4.971 1.00 0.00 S ATOM 1117 CE MET A 71 2.815 -25.544 6.549 1.00 0.00 C ATOM 0 H MET A 71 -1.057 -28.593 6.746 1.00 0.00 H new ATOM 0 HA MET A 71 -1.509 -27.177 4.481 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.189 -26.642 6.134 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.014 -28.167 5.878 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.483 -27.302 3.477 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.986 -25.733 4.078 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.538 -24.737 6.670 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.806 -25.132 6.563 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.927 -26.257 7.366 1.00 0.00 H new ATOM 1127 N THR A 72 0.200 -29.922 3.811 1.00 0.00 N ATOM 1128 CA THR A 72 0.812 -30.820 2.834 1.00 0.00 C ATOM 1129 C THR A 72 0.001 -32.079 2.609 1.00 0.00 C ATOM 1130 O THR A 72 0.054 -32.618 1.510 1.00 0.00 O ATOM 1131 CB THR A 72 2.138 -31.306 3.415 1.00 0.00 C ATOM 1132 OG1 THR A 72 2.926 -30.181 3.731 1.00 0.00 O ATOM 1133 CG2 THR A 72 2.966 -32.230 2.519 1.00 0.00 C ATOM 0 H THR A 72 0.410 -30.209 4.767 1.00 0.00 H new ATOM 0 HA THR A 72 0.901 -30.265 1.900 1.00 0.00 H new ATOM 0 HB THR A 72 1.867 -31.906 4.283 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.875 -30.421 3.680 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.884 -32.510 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.390 -33.127 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.214 -31.712 1.593 1.00 0.00 H new ATOM 1141 N ALA A 73 -0.714 -32.578 3.626 1.00 0.00 N ATOM 1142 CA ALA A 73 -1.376 -33.888 3.603 1.00 0.00 C ATOM 1143 C ALA A 73 -2.192 -34.077 2.316 1.00 0.00 C ATOM 1144 O ALA A 73 -2.129 -35.111 1.651 1.00 0.00 O ATOM 1145 CB ALA A 73 -2.237 -34.019 4.865 1.00 0.00 C ATOM 0 H ALA A 73 -0.851 -32.074 4.502 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.630 -34.683 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.737 -34.987 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.603 -33.938 5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.984 -33.225 4.880 1.00 0.00 H new ATOM 1151 N CYS A 74 -2.814 -32.987 1.858 1.00 0.00 N ATOM 1152 CA CYS A 74 -3.566 -32.911 0.598 1.00 0.00 C ATOM 1153 C CYS A 74 -2.842 -33.337 -0.708 1.00 0.00 C ATOM 1154 O CYS A 74 -3.488 -33.444 -1.752 1.00 0.00 O ATOM 1155 CB CYS A 74 -4.084 -31.467 0.494 1.00 0.00 C ATOM 1156 SG CYS A 74 -2.912 -30.318 -0.286 1.00 0.00 S ATOM 0 H CYS A 74 -2.809 -32.104 2.369 1.00 0.00 H new ATOM 0 HA CYS A 74 -4.353 -33.663 0.661 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.013 -31.465 -0.076 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.322 -31.104 1.494 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.049 -30.369 -1.578 1.00 0.00 H new ATOM 1162 N GLN A 75 -1.523 -33.561 -0.698 1.00 0.00 N ATOM 1163 CA GLN A 75 -0.679 -33.736 -1.888 1.00 0.00 C ATOM 1164 C GLN A 75 -0.958 -34.962 -2.759 1.00 0.00 C ATOM 1165 O GLN A 75 -0.498 -35.015 -3.897 1.00 0.00 O ATOM 1166 CB GLN A 75 0.788 -33.784 -1.443 1.00 0.00 C ATOM 1167 CG GLN A 75 1.219 -35.059 -0.691 1.00 0.00 C ATOM 1168 CD GLN A 75 2.093 -36.025 -1.507 1.00 0.00 C ATOM 1169 OE1 GLN A 75 1.846 -36.269 -2.781 1.00 0.00 O flip ATOM 1170 NE2 GLN A 75 3.057 -36.579 -1.011 1.00 0.00 N flip ATOM 0 H GLN A 75 -0.993 -33.628 0.171 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.918 -32.882 -2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.419 -33.674 -2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.982 -32.924 -0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.765 -34.767 0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.325 -35.589 -0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.287 -36.421 -0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.635 -37.201 -1.577 1.00 0.00 H new