USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 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 49 ASN : amide:sc= 0.928 K(o=2.8,f=-5.1) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 170:sc= 1.84 (180deg=0.531) USER MOD Set 2.1: A 51 ASN : amide:sc= -0.183 K(o=-0.21,f=-8!) USER MOD Set 2.2: A 54 CYS SG : rot 180:sc= -0.0296 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -167:sc= -3.08 (180deg=0.103) USER MOD Set 3.2: A 35 GLN : amide:sc= -0.0617 K(o=-6.1,f=-1.2) USER MOD Set 3.3: A 48 GLN : amide:sc= -2.93 K(o=-6.1,f=-0.73!) USER MOD Set 4.1: A 25 TYR OH : rot -140:sc= 0 USER MOD Set 4.2: A 39 ASN : amide:sc= 0.527 K(o=1.8,f=-0.79!) USER MOD Set 4.3: A 44 THR OG1 : rot 179:sc= 1.27 USER MOD Single : A 11 GLN : amide:sc= 0.813 K(o=0.81,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ -102:sc= 0.852 (180deg=-1.87!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 27 THR OG1 : rot -90:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.987 K(o=0.99,f=-0.42) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 1.26 (180deg=0.995) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -130:sc= 1.36 USER MOD Single : A 56 THR OG1 : rot 78:sc= 0.983 USER MOD Single : A 59 LYS NZ :NH3+ -105:sc= 0.85 (180deg=-2.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0581 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 73:sc= 0.0132 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.15 USER MOD Single : A 75 GLN : amide:sc= -0.0454 X(o=-0.045,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 5.105 -12.141 3.186 1.00 0.00 N ATOM 71 CA ILE A 6 3.628 -12.348 3.203 1.00 0.00 C ATOM 72 C ILE A 6 2.899 -11.559 4.271 1.00 0.00 C ATOM 73 O ILE A 6 1.691 -11.343 4.191 1.00 0.00 O ATOM 74 CB ILE A 6 3.220 -13.804 3.429 1.00 0.00 C ATOM 75 CG1 ILE A 6 3.456 -14.284 4.878 1.00 0.00 C ATOM 76 CG2 ILE A 6 4.002 -14.663 2.470 1.00 0.00 C ATOM 77 CD1 ILE A 6 2.218 -14.153 5.766 1.00 0.00 C ATOM 0 HA ILE A 6 3.342 -12.002 2.210 1.00 0.00 H new ATOM 0 HB ILE A 6 2.147 -13.885 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.774 -15.326 4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.272 -13.709 5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.728 -15.709 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.776 -14.364 1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.069 -14.539 2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.451 -14.507 6.770 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.912 -13.108 5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.407 -14.751 5.350 1.00 0.00 H new ATOM 89 N LEU A 7 3.645 -11.205 5.315 1.00 0.00 N ATOM 90 CA LEU A 7 3.203 -10.376 6.447 1.00 0.00 C ATOM 91 C LEU A 7 2.410 -9.119 6.026 1.00 0.00 C ATOM 92 O LEU A 7 1.603 -8.616 6.803 1.00 0.00 O ATOM 93 CB LEU A 7 4.404 -10.079 7.368 1.00 0.00 C ATOM 94 CG LEU A 7 5.501 -9.153 6.792 1.00 0.00 C ATOM 95 CD1 LEU A 7 5.217 -7.667 7.036 1.00 0.00 C ATOM 96 CD2 LEU A 7 6.834 -9.461 7.474 1.00 0.00 C ATOM 0 H LEU A 7 4.618 -11.498 5.404 1.00 0.00 H new ATOM 0 HA LEU A 7 2.473 -10.947 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.027 -9.631 8.287 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.867 -11.027 7.642 1.00 0.00 H new ATOM 0 HG LEU A 7 5.526 -9.339 5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.021 -7.068 6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.273 -7.395 6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.155 -7.480 8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.609 -8.810 7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.741 -9.292 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.104 -10.501 7.293 1.00 0.00 H new ATOM 108 N ASP A 8 2.597 -8.704 4.776 1.00 0.00 N ATOM 109 CA ASP A 8 1.943 -7.609 4.024 1.00 0.00 C ATOM 110 C ASP A 8 0.423 -7.831 3.836 1.00 0.00 C ATOM 111 O ASP A 8 -0.325 -6.896 3.572 1.00 0.00 O ATOM 112 CB ASP A 8 2.657 -7.549 2.651 1.00 0.00 C ATOM 113 CG ASP A 8 2.763 -6.214 1.894 1.00 0.00 C ATOM 114 OD1 ASP A 8 2.568 -5.120 2.458 1.00 0.00 O ATOM 115 OD2 ASP A 8 3.262 -6.272 0.738 1.00 0.00 O ATOM 0 H ASP A 8 3.287 -9.173 4.189 1.00 0.00 H new ATOM 0 HA ASP A 8 2.031 -6.674 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.672 -7.919 2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.152 -8.255 1.992 1.00 0.00 H new ATOM 120 N ILE A 9 -0.057 -9.077 3.965 1.00 0.00 N ATOM 121 CA ILE A 9 -1.445 -9.491 3.678 1.00 0.00 C ATOM 122 C ILE A 9 -2.059 -10.412 4.743 1.00 0.00 C ATOM 123 O ILE A 9 -2.902 -11.263 4.451 1.00 0.00 O ATOM 124 CB ILE A 9 -1.539 -10.154 2.290 1.00 0.00 C ATOM 125 CG1 ILE A 9 -0.726 -11.468 2.251 1.00 0.00 C ATOM 126 CG2 ILE A 9 -1.124 -9.214 1.153 1.00 0.00 C ATOM 127 CD1 ILE A 9 -1.458 -12.539 1.461 1.00 0.00 C ATOM 0 H ILE A 9 0.526 -9.851 4.282 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.032 -8.573 3.694 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.590 -10.391 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.250 -11.283 1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.547 -11.819 3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.211 -9.736 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.774 -8.339 1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.091 -8.898 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.864 -13.453 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.423 -12.739 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.614 -12.195 0.439 1.00 0.00 H new ATOM 139 N ARG A 10 -1.573 -10.307 5.977 1.00 0.00 N ATOM 140 CA ARG A 10 -2.035 -11.076 7.135 1.00 0.00 C ATOM 141 C ARG A 10 -3.555 -11.187 7.225 1.00 0.00 C ATOM 142 O ARG A 10 -4.244 -10.213 7.488 1.00 0.00 O ATOM 143 CB ARG A 10 -1.495 -10.435 8.414 1.00 0.00 C ATOM 144 CG ARG A 10 -0.164 -11.046 8.830 1.00 0.00 C ATOM 145 CD ARG A 10 -0.317 -12.493 9.324 1.00 0.00 C ATOM 146 NE ARG A 10 0.799 -12.909 10.204 1.00 0.00 N ATOM 147 CZ ARG A 10 0.948 -12.600 11.484 1.00 0.00 C ATOM 148 NH1 ARG A 10 0.080 -11.870 12.133 1.00 0.00 N ATOM 149 NH2 ARG A 10 1.990 -13.018 12.147 1.00 0.00 N ATOM 0 H ARG A 10 -0.819 -9.661 6.209 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.654 -12.090 7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.371 -9.363 8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.220 -10.560 9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.524 -11.024 7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.281 -10.440 9.619 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.259 -12.592 9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.369 -13.163 8.466 1.00 0.00 H new ATOM 0 HE ARG A 10 1.524 -13.490 9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.748 -11.516 11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.231 -11.654 13.118 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.697 -13.587 11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.098 -12.776 13.132 1.00 0.00 H new ATOM 163 N GLN A 11 -4.001 -12.436 7.155 1.00 0.00 N ATOM 164 CA GLN A 11 -5.411 -12.843 7.294 1.00 0.00 C ATOM 165 C GLN A 11 -5.647 -13.529 8.652 1.00 0.00 C ATOM 166 O GLN A 11 -6.544 -13.150 9.397 1.00 0.00 O ATOM 167 CB GLN A 11 -5.770 -13.795 6.138 1.00 0.00 C ATOM 168 CG GLN A 11 -7.272 -14.080 5.920 1.00 0.00 C ATOM 169 CD GLN A 11 -7.973 -13.021 5.068 1.00 0.00 C ATOM 170 OE1 GLN A 11 -7.885 -11.834 5.324 1.00 0.00 O ATOM 171 NE2 GLN A 11 -8.682 -13.373 4.015 1.00 0.00 N ATOM 0 H GLN A 11 -3.377 -13.227 6.995 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.050 -11.961 7.252 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.364 -13.379 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.264 -14.745 6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.384 -15.053 5.442 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.767 -14.142 6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.777 -14.359 3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.136 -12.660 3.444 1.00 0.00 H new ATOM 180 N GLY A 12 -4.801 -14.511 9.017 1.00 0.00 N ATOM 181 CA GLY A 12 -4.893 -15.228 10.288 1.00 0.00 C ATOM 182 C GLY A 12 -5.017 -16.738 10.048 1.00 0.00 C ATOM 183 O GLY A 12 -6.095 -17.198 9.685 1.00 0.00 O ATOM 0 H GLY A 12 -4.030 -14.826 8.428 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.010 -15.022 10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.756 -14.872 10.851 1.00 0.00 H new ATOM 187 N PRO A 13 -3.946 -17.536 10.220 1.00 0.00 N ATOM 188 CA PRO A 13 -3.915 -18.982 9.933 1.00 0.00 C ATOM 189 C PRO A 13 -4.663 -19.842 10.978 1.00 0.00 C ATOM 190 O PRO A 13 -4.215 -20.930 11.331 1.00 0.00 O ATOM 191 CB PRO A 13 -2.420 -19.312 9.832 1.00 0.00 C ATOM 192 CG PRO A 13 -1.789 -18.340 10.829 1.00 0.00 C ATOM 193 CD PRO A 13 -2.644 -17.084 10.677 1.00 0.00 C ATOM 0 HA PRO A 13 -4.451 -19.221 9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.216 -20.350 10.095 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.040 -19.159 8.822 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.821 -18.729 11.847 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.742 -18.146 10.595 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.727 -16.552 11.625 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.198 -16.393 9.961 1.00 0.00 H new ATOM 201 N LYS A 14 -5.762 -19.304 11.523 1.00 0.00 N ATOM 202 CA LYS A 14 -6.524 -19.875 12.652 1.00 0.00 C ATOM 203 C LYS A 14 -7.704 -20.748 12.195 1.00 0.00 C ATOM 204 O LYS A 14 -7.827 -21.869 12.662 1.00 0.00 O ATOM 205 CB LYS A 14 -6.937 -18.719 13.583 1.00 0.00 C ATOM 206 CG LYS A 14 -7.815 -19.053 14.804 1.00 0.00 C ATOM 207 CD LYS A 14 -7.219 -19.988 15.878 1.00 0.00 C ATOM 208 CE LYS A 14 -7.367 -21.491 15.599 1.00 0.00 C ATOM 209 NZ LYS A 14 -8.778 -21.946 15.624 1.00 0.00 N ATOM 0 H LYS A 14 -6.162 -18.430 11.182 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.892 -20.567 13.208 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.027 -18.241 13.946 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.467 -17.980 12.983 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.087 -18.115 15.289 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.738 -19.504 14.441 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.159 -19.759 15.987 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.694 -19.765 16.834 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.934 -21.719 14.625 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.797 -22.051 16.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.973 -22.424 16.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.409 -21.126 15.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.943 -22.608 14.839 1.00 0.00 H new ATOM 223 N GLU A 15 -8.518 -20.266 11.256 1.00 0.00 N ATOM 224 CA GLU A 15 -9.742 -20.914 10.761 1.00 0.00 C ATOM 225 C GLU A 15 -9.955 -20.883 9.221 1.00 0.00 C ATOM 226 O GLU A 15 -10.357 -21.912 8.672 1.00 0.00 O ATOM 227 CB GLU A 15 -10.953 -20.236 11.438 1.00 0.00 C ATOM 228 CG GLU A 15 -11.754 -21.194 12.316 1.00 0.00 C ATOM 229 CD GLU A 15 -11.046 -21.535 13.633 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.875 -20.638 14.487 1.00 0.00 O ATOM 231 OE2 GLU A 15 -10.605 -22.688 13.821 1.00 0.00 O ATOM 0 H GLU A 15 -8.338 -19.373 10.796 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.638 -21.969 11.014 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.603 -19.401 12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.607 -19.821 10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.725 -20.750 12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.942 -22.114 11.762 1.00 0.00 H new ATOM 238 N PRO A 16 -9.704 -19.771 8.482 1.00 0.00 N ATOM 239 CA PRO A 16 -10.106 -19.641 7.067 1.00 0.00 C ATOM 240 C PRO A 16 -9.307 -20.497 6.071 1.00 0.00 C ATOM 241 O PRO A 16 -9.628 -20.502 4.880 1.00 0.00 O ATOM 242 CB PRO A 16 -9.958 -18.148 6.724 1.00 0.00 C ATOM 243 CG PRO A 16 -8.936 -17.629 7.725 1.00 0.00 C ATOM 244 CD PRO A 16 -9.187 -18.490 8.957 1.00 0.00 C ATOM 0 HA PRO A 16 -11.125 -20.014 6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.616 -18.008 5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.908 -17.623 6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.917 -17.742 7.355 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.082 -16.570 7.937 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.266 -18.631 9.523 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.902 -18.009 9.625 1.00 0.00 H new ATOM 252 N PHE A 17 -8.280 -21.206 6.553 1.00 0.00 N ATOM 253 CA PHE A 17 -7.210 -21.907 5.834 1.00 0.00 C ATOM 254 C PHE A 17 -7.193 -21.649 4.317 1.00 0.00 C ATOM 255 O PHE A 17 -6.562 -20.692 3.889 1.00 0.00 O ATOM 256 CB PHE A 17 -7.163 -23.393 6.257 1.00 0.00 C ATOM 257 CG PHE A 17 -5.752 -23.904 6.488 1.00 0.00 C ATOM 258 CD1 PHE A 17 -5.015 -23.404 7.580 1.00 0.00 C ATOM 259 CD2 PHE A 17 -5.171 -24.870 5.640 1.00 0.00 C ATOM 260 CE1 PHE A 17 -3.713 -23.868 7.825 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.867 -25.338 5.894 1.00 0.00 C ATOM 262 CZ PHE A 17 -3.149 -24.848 6.998 1.00 0.00 C ATOM 0 H PHE A 17 -8.166 -21.314 7.561 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.260 -21.470 6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.744 -23.523 7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.641 -23.999 5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.453 -22.662 8.230 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.726 -25.251 4.796 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.145 -23.469 8.652 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.420 -26.073 5.241 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.160 -25.228 7.209 1.00 0.00 H new ATOM 272 N ARG A 18 -7.951 -22.419 3.521 1.00 0.00 N ATOM 273 CA ARG A 18 -8.133 -22.314 2.051 1.00 0.00 C ATOM 274 C ARG A 18 -8.022 -20.908 1.446 1.00 0.00 C ATOM 275 O ARG A 18 -7.181 -20.644 0.583 1.00 0.00 O ATOM 276 CB ARG A 18 -9.461 -22.998 1.626 1.00 0.00 C ATOM 277 CG ARG A 18 -10.625 -23.175 2.638 1.00 0.00 C ATOM 278 CD ARG A 18 -11.487 -21.940 2.967 1.00 0.00 C ATOM 279 NE ARG A 18 -12.863 -22.022 2.425 1.00 0.00 N ATOM 280 CZ ARG A 18 -13.389 -21.301 1.448 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.684 -20.495 0.707 1.00 0.00 N ATOM 282 NH2 ARG A 18 -14.662 -21.379 1.186 1.00 0.00 N ATOM 0 H ARG A 18 -8.495 -23.190 3.909 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.275 -22.840 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.855 -22.434 0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.205 -23.991 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.286 -23.952 2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.203 -23.547 3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.537 -21.819 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.000 -21.050 2.569 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.476 -22.715 2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.681 -20.399 0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.134 -19.959 -0.035 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.259 -21.998 1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.063 -20.821 0.432 1.00 0.00 H new ATOM 296 N ASP A 19 -8.890 -20.037 1.951 1.00 0.00 N ATOM 297 CA ASP A 19 -9.052 -18.639 1.524 1.00 0.00 C ATOM 298 C ASP A 19 -7.770 -17.824 1.697 1.00 0.00 C ATOM 299 O ASP A 19 -7.478 -16.982 0.855 1.00 0.00 O ATOM 300 CB ASP A 19 -10.201 -17.983 2.308 1.00 0.00 C ATOM 301 CG ASP A 19 -10.299 -16.478 2.014 1.00 0.00 C ATOM 302 OD1 ASP A 19 -10.880 -16.122 0.963 1.00 0.00 O ATOM 303 OD2 ASP A 19 -9.736 -15.688 2.804 1.00 0.00 O ATOM 0 H ASP A 19 -9.531 -20.291 2.703 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.287 -18.650 0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.142 -18.467 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.048 -18.136 3.376 1.00 0.00 H new ATOM 308 N TYR A 20 -7.003 -18.104 2.752 1.00 0.00 N ATOM 309 CA TYR A 20 -5.711 -17.475 3.040 1.00 0.00 C ATOM 310 C TYR A 20 -4.526 -18.198 2.383 1.00 0.00 C ATOM 311 O TYR A 20 -3.550 -17.560 1.991 1.00 0.00 O ATOM 312 CB TYR A 20 -5.519 -17.481 4.559 1.00 0.00 C ATOM 313 CG TYR A 20 -4.259 -16.818 5.081 1.00 0.00 C ATOM 314 CD1 TYR A 20 -3.722 -15.665 4.464 1.00 0.00 C ATOM 315 CD2 TYR A 20 -3.668 -17.327 6.253 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.626 -15.001 5.043 1.00 0.00 C ATOM 317 CE2 TYR A 20 -2.558 -16.680 6.817 1.00 0.00 C ATOM 318 CZ TYR A 20 -2.040 -15.514 6.217 1.00 0.00 C ATOM 319 OH TYR A 20 -1.003 -14.870 6.804 1.00 0.00 O ATOM 0 H TYR A 20 -7.271 -18.796 3.452 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.728 -16.466 2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.378 -16.988 5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.527 -18.516 4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.154 -15.294 3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.069 -18.215 6.718 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.235 -14.102 4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.100 -17.076 7.712 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.723 -15.362 7.604 1.00 0.00 H new ATOM 329 N VAL A 21 -4.614 -19.524 2.236 1.00 0.00 N ATOM 330 CA VAL A 21 -3.577 -20.380 1.638 1.00 0.00 C ATOM 331 C VAL A 21 -3.167 -19.885 0.261 1.00 0.00 C ATOM 332 O VAL A 21 -1.968 -19.744 0.010 1.00 0.00 O ATOM 333 CB VAL A 21 -4.055 -21.850 1.534 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.017 -22.713 0.833 1.00 0.00 C ATOM 335 CG2 VAL A 21 -4.407 -22.583 2.838 1.00 0.00 C ATOM 0 H VAL A 21 -5.434 -20.050 2.539 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.711 -20.332 2.298 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.986 -21.733 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.378 -23.740 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.845 -22.330 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.084 -22.688 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.725 -23.600 2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.531 -22.613 3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.215 -22.056 3.345 1.00 0.00 H new ATOM 345 N ASP A 22 -4.139 -19.604 -0.610 1.00 0.00 N ATOM 346 CA ASP A 22 -3.805 -19.104 -1.952 1.00 0.00 C ATOM 347 C ASP A 22 -3.039 -17.780 -1.938 1.00 0.00 C ATOM 348 O ASP A 22 -2.004 -17.619 -2.583 1.00 0.00 O ATOM 349 CB ASP A 22 -5.078 -18.949 -2.779 1.00 0.00 C ATOM 350 CG ASP A 22 -4.842 -19.564 -4.154 1.00 0.00 C ATOM 351 OD1 ASP A 22 -4.342 -18.815 -5.025 1.00 0.00 O ATOM 352 OD2 ASP A 22 -4.975 -20.803 -4.289 1.00 0.00 O ATOM 0 H ASP A 22 -5.136 -19.709 -0.422 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.143 -19.845 -2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.914 -19.442 -2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.341 -17.896 -2.876 1.00 0.00 H new ATOM 357 N ARG A 23 -3.563 -16.848 -1.140 1.00 0.00 N ATOM 358 CA ARG A 23 -3.015 -15.494 -0.911 1.00 0.00 C ATOM 359 C ARG A 23 -1.599 -15.541 -0.360 1.00 0.00 C ATOM 360 O ARG A 23 -0.747 -14.810 -0.854 1.00 0.00 O ATOM 361 CB ARG A 23 -3.875 -14.647 0.056 1.00 0.00 C ATOM 362 CG ARG A 23 -5.327 -15.060 0.186 1.00 0.00 C ATOM 363 CD ARG A 23 -6.103 -14.832 -1.105 1.00 0.00 C ATOM 364 NE ARG A 23 -6.940 -13.629 -0.968 1.00 0.00 N ATOM 365 CZ ARG A 23 -8.199 -13.614 -0.551 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.783 -14.711 -0.171 1.00 0.00 N ATOM 367 NH2 ARG A 23 -8.872 -12.497 -0.471 1.00 0.00 N ATOM 0 H ARG A 23 -4.418 -17.015 -0.609 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.021 -15.023 -1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.417 -14.683 1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.841 -13.608 -0.273 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.381 -16.114 0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.793 -14.496 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.413 -14.715 -1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.726 -15.699 -1.325 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.517 -12.734 -1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.273 -15.594 -0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.752 -14.689 0.148 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.430 -11.615 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.839 -12.506 -0.148 1.00 0.00 H new ATOM 381 N PHE A 24 -1.364 -16.416 0.624 1.00 0.00 N ATOM 382 CA PHE A 24 -0.062 -16.597 1.244 1.00 0.00 C ATOM 383 C PHE A 24 0.913 -17.074 0.169 1.00 0.00 C ATOM 384 O PHE A 24 1.891 -16.381 -0.094 1.00 0.00 O ATOM 385 CB PHE A 24 -0.170 -17.564 2.439 1.00 0.00 C ATOM 386 CG PHE A 24 1.188 -18.056 2.909 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.768 -19.154 2.258 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.922 -17.383 3.899 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.147 -19.402 2.383 1.00 0.00 C ATOM 390 CE2 PHE A 24 3.275 -17.720 4.101 1.00 0.00 C ATOM 391 CZ PHE A 24 3.919 -18.606 3.230 1.00 0.00 C ATOM 0 H PHE A 24 -2.087 -17.022 1.012 1.00 0.00 H new ATOM 0 HA PHE A 24 0.315 -15.659 1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.678 -17.063 3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.786 -18.418 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.155 -19.811 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.455 -16.616 4.499 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.606 -20.205 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.817 -17.293 4.931 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.997 -18.673 3.214 1.00 0.00 H new ATOM 401 N TYR A 25 0.613 -18.171 -0.546 1.00 0.00 N ATOM 402 CA TYR A 25 1.468 -18.580 -1.677 1.00 0.00 C ATOM 403 C TYR A 25 1.637 -17.459 -2.723 1.00 0.00 C ATOM 404 O TYR A 25 2.710 -17.342 -3.308 1.00 0.00 O ATOM 405 CB TYR A 25 1.029 -19.938 -2.279 1.00 0.00 C ATOM 406 CG TYR A 25 1.527 -21.219 -1.587 1.00 0.00 C ATOM 407 CD1 TYR A 25 2.236 -21.176 -0.379 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.305 -22.481 -2.169 1.00 0.00 C ATOM 409 CE1 TYR A 25 2.680 -22.354 0.258 1.00 0.00 C ATOM 410 CE2 TYR A 25 1.731 -23.675 -1.546 1.00 0.00 C ATOM 411 CZ TYR A 25 2.427 -23.612 -0.321 1.00 0.00 C ATOM 412 OH TYR A 25 2.811 -24.752 0.318 1.00 0.00 O ATOM 0 H TYR A 25 -0.189 -18.776 -0.371 1.00 0.00 H new ATOM 0 HA TYR A 25 2.468 -18.749 -1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.061 -19.964 -2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.359 -19.967 -3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.447 -20.219 0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.794 -22.538 -3.119 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.216 -22.290 1.193 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.525 -24.631 -2.005 1.00 0.00 H new ATOM 0 HH TYR A 25 3.163 -25.391 -0.336 1.00 0.00 H new ATOM 422 N LYS A 26 0.669 -16.549 -2.910 1.00 0.00 N ATOM 423 CA LYS A 26 0.694 -15.489 -3.946 1.00 0.00 C ATOM 424 C LYS A 26 1.402 -14.189 -3.578 1.00 0.00 C ATOM 425 O LYS A 26 1.678 -13.397 -4.485 1.00 0.00 O ATOM 426 CB LYS A 26 -0.713 -15.305 -4.528 1.00 0.00 C ATOM 427 CG LYS A 26 -1.021 -16.339 -5.630 1.00 0.00 C ATOM 428 CD LYS A 26 -0.348 -17.722 -5.487 1.00 0.00 C ATOM 429 CE LYS A 26 -0.795 -18.635 -6.629 1.00 0.00 C ATOM 430 NZ LYS A 26 -2.104 -19.250 -6.336 1.00 0.00 N ATOM 0 H LYS A 26 -0.174 -16.524 -2.336 1.00 0.00 H new ATOM 0 HA LYS A 26 1.355 -15.850 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.450 -15.395 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.807 -14.299 -4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.100 -16.487 -5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.725 -15.914 -6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.736 -17.612 -5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.612 -18.168 -4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.858 -18.062 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.051 -19.415 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.283 -20.023 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.101 -19.628 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.852 -18.533 -6.426 1.00 0.00 H new ATOM 444 N THR A 27 1.816 -14.034 -2.327 1.00 0.00 N ATOM 445 CA THR A 27 2.778 -13.008 -1.890 1.00 0.00 C ATOM 446 C THR A 27 4.087 -13.653 -1.441 1.00 0.00 C ATOM 447 O THR A 27 5.112 -12.982 -1.428 1.00 0.00 O ATOM 448 CB THR A 27 2.228 -12.113 -0.772 1.00 0.00 C ATOM 449 OG1 THR A 27 1.788 -12.911 0.297 1.00 0.00 O ATOM 450 CG2 THR A 27 1.035 -11.289 -1.251 1.00 0.00 C ATOM 0 H THR A 27 1.490 -14.627 -1.564 1.00 0.00 H new ATOM 0 HA THR A 27 2.962 -12.370 -2.755 1.00 0.00 H new ATOM 0 HB THR A 27 3.032 -11.444 -0.465 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.844 -13.139 0.168 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.671 -10.667 -0.434 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.342 -10.654 -2.082 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.240 -11.958 -1.580 1.00 0.00 H new ATOM 458 N LEU A 28 4.094 -14.966 -1.183 1.00 0.00 N ATOM 459 CA LEU A 28 5.309 -15.714 -0.836 1.00 0.00 C ATOM 460 C LEU A 28 6.181 -16.071 -2.052 1.00 0.00 C ATOM 461 O LEU A 28 7.405 -16.027 -1.966 1.00 0.00 O ATOM 462 CB LEU A 28 4.853 -16.976 -0.109 1.00 0.00 C ATOM 463 CG LEU A 28 5.949 -17.882 0.437 1.00 0.00 C ATOM 464 CD1 LEU A 28 6.411 -18.866 -0.618 1.00 0.00 C ATOM 465 CD2 LEU A 28 7.132 -17.197 1.122 1.00 0.00 C ATOM 0 H LEU A 28 3.253 -15.543 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 28 5.945 -15.089 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.212 -16.678 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.238 -17.560 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 28 5.464 -18.413 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.194 -19.502 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.570 -19.484 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.802 -18.321 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.840 -17.951 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.626 -16.531 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.774 -16.620 1.975 1.00 0.00 H new ATOM 477 N ARG A 29 5.537 -16.458 -3.166 1.00 0.00 N ATOM 478 CA ARG A 29 6.054 -17.078 -4.421 1.00 0.00 C ATOM 479 C ARG A 29 7.378 -16.599 -5.046 1.00 0.00 C ATOM 480 O ARG A 29 7.728 -17.101 -6.106 1.00 0.00 O ATOM 481 CB ARG A 29 4.939 -17.110 -5.484 1.00 0.00 C ATOM 482 CG ARG A 29 4.326 -15.720 -5.666 1.00 0.00 C ATOM 483 CD ARG A 29 3.354 -15.687 -6.847 1.00 0.00 C ATOM 484 NE ARG A 29 2.663 -14.388 -6.893 1.00 0.00 N ATOM 485 CZ ARG A 29 2.333 -13.670 -7.941 1.00 0.00 C ATOM 486 NH1 ARG A 29 2.501 -14.108 -9.157 1.00 0.00 N ATOM 487 NH2 ARG A 29 1.823 -12.485 -7.764 1.00 0.00 N ATOM 0 H ARG A 29 4.526 -16.334 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 29 6.349 -18.065 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.344 -17.461 -6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.166 -17.818 -5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.803 -15.429 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.119 -14.989 -5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.895 -15.854 -7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.626 -16.493 -6.752 1.00 0.00 H new ATOM 0 HE ARG A 29 2.406 -13.993 -5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.899 -15.034 -9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.234 -13.525 -9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.684 -12.125 -6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.562 -11.916 -8.570 1.00 0.00 H new ATOM 501 N ALA A 30 8.102 -15.637 -4.484 1.00 0.00 N ATOM 502 CA ALA A 30 9.493 -15.401 -4.865 1.00 0.00 C ATOM 503 C ALA A 30 10.369 -16.604 -4.439 1.00 0.00 C ATOM 504 O ALA A 30 11.289 -16.966 -5.164 1.00 0.00 O ATOM 505 CB ALA A 30 9.969 -14.091 -4.225 1.00 0.00 C ATOM 0 H ALA A 30 7.750 -15.007 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 30 9.579 -15.305 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.006 -13.906 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.347 -13.268 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.893 -14.167 -3.140 1.00 0.00 H new ATOM 511 N GLU A 31 10.036 -17.257 -3.310 1.00 0.00 N ATOM 512 CA GLU A 31 10.632 -18.542 -2.900 1.00 0.00 C ATOM 513 C GLU A 31 9.799 -19.763 -3.355 1.00 0.00 C ATOM 514 O GLU A 31 10.070 -20.362 -4.391 1.00 0.00 O ATOM 515 CB GLU A 31 10.784 -18.651 -1.370 1.00 0.00 C ATOM 516 CG GLU A 31 11.956 -17.951 -0.676 1.00 0.00 C ATOM 517 CD GLU A 31 12.184 -18.550 0.732 1.00 0.00 C ATOM 518 OE1 GLU A 31 11.347 -19.376 1.185 1.00 0.00 O ATOM 519 OE2 GLU A 31 13.219 -18.236 1.350 1.00 0.00 O ATOM 0 H GLU A 31 9.341 -16.905 -2.652 1.00 0.00 H new ATOM 0 HA GLU A 31 11.608 -18.555 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.866 -18.271 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.844 -19.711 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.860 -18.060 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.754 -16.883 -0.596 1.00 0.00 H new ATOM 526 N GLN A 32 8.771 -20.157 -2.588 1.00 0.00 N ATOM 527 CA GLN A 32 8.058 -21.443 -2.730 1.00 0.00 C ATOM 528 C GLN A 32 6.958 -21.393 -3.815 1.00 0.00 C ATOM 529 O GLN A 32 5.816 -21.809 -3.632 1.00 0.00 O ATOM 530 CB GLN A 32 7.586 -21.985 -1.359 1.00 0.00 C ATOM 531 CG GLN A 32 8.565 -21.734 -0.182 1.00 0.00 C ATOM 532 CD GLN A 32 9.903 -22.473 -0.304 1.00 0.00 C ATOM 533 OE1 GLN A 32 10.004 -23.527 -0.903 1.00 0.00 O ATOM 534 NE2 GLN A 32 10.990 -21.956 0.226 1.00 0.00 N ATOM 0 H GLN A 32 8.401 -19.579 -1.833 1.00 0.00 H new ATOM 0 HA GLN A 32 8.769 -22.180 -3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.626 -21.530 -1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.417 -23.058 -1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.760 -20.664 -0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.081 -22.034 0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.939 -21.073 0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.884 -22.438 0.128 1.00 0.00 H new ATOM 543 N ALA A 33 7.338 -20.847 -4.970 1.00 0.00 N ATOM 544 CA ALA A 33 6.551 -20.754 -6.205 1.00 0.00 C ATOM 545 C ALA A 33 5.910 -22.087 -6.646 1.00 0.00 C ATOM 546 O ALA A 33 4.834 -22.098 -7.250 1.00 0.00 O ATOM 547 CB ALA A 33 7.488 -20.237 -7.307 1.00 0.00 C ATOM 0 H ALA A 33 8.263 -20.430 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 33 5.715 -20.079 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.937 -20.154 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.875 -19.257 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.318 -20.932 -7.434 1.00 0.00 H new ATOM 553 N SER A 34 6.580 -23.205 -6.345 1.00 0.00 N ATOM 554 CA SER A 34 6.083 -24.571 -6.529 1.00 0.00 C ATOM 555 C SER A 34 5.043 -24.924 -5.459 1.00 0.00 C ATOM 556 O SER A 34 5.386 -25.531 -4.447 1.00 0.00 O ATOM 557 CB SER A 34 7.252 -25.560 -6.484 1.00 0.00 C ATOM 558 OG SER A 34 8.171 -25.235 -7.505 1.00 0.00 O ATOM 0 H SER A 34 7.521 -23.181 -5.951 1.00 0.00 H new ATOM 0 HA SER A 34 5.599 -24.636 -7.503 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.741 -25.520 -5.511 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.888 -26.579 -6.616 1.00 0.00 H new ATOM 0 HG SER A 34 8.923 -25.863 -7.481 1.00 0.00 H new ATOM 564 N GLN A 35 3.788 -24.506 -5.664 1.00 0.00 N ATOM 565 CA GLN A 35 2.637 -24.696 -4.800 1.00 0.00 C ATOM 566 C GLN A 35 2.224 -26.169 -4.565 1.00 0.00 C ATOM 567 O GLN A 35 1.147 -26.613 -4.960 1.00 0.00 O ATOM 568 CB GLN A 35 1.529 -23.818 -5.394 1.00 0.00 C ATOM 569 CG GLN A 35 0.992 -24.157 -6.800 1.00 0.00 C ATOM 570 CD GLN A 35 -0.537 -24.101 -6.832 1.00 0.00 C ATOM 571 OE1 GLN A 35 -1.161 -23.149 -7.286 1.00 0.00 O ATOM 572 NE2 GLN A 35 -1.208 -25.104 -6.309 1.00 0.00 N ATOM 0 H GLN A 35 3.541 -23.987 -6.507 1.00 0.00 H new ATOM 0 HA GLN A 35 2.878 -24.392 -3.781 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.685 -23.838 -4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.897 -22.792 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.400 -23.456 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.329 -25.152 -7.092 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.709 -25.907 -5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.227 -25.079 -6.287 1.00 0.00 H new ATOM 581 N GLU A 36 3.101 -26.925 -3.913 1.00 0.00 N ATOM 582 CA GLU A 36 3.117 -28.384 -3.766 1.00 0.00 C ATOM 583 C GLU A 36 3.481 -28.783 -2.317 1.00 0.00 C ATOM 584 O GLU A 36 3.795 -27.954 -1.467 1.00 0.00 O ATOM 585 CB GLU A 36 4.174 -28.888 -4.788 1.00 0.00 C ATOM 586 CG GLU A 36 4.197 -30.404 -5.041 1.00 0.00 C ATOM 587 CD GLU A 36 5.342 -30.859 -5.958 1.00 0.00 C ATOM 588 OE1 GLU A 36 5.704 -30.163 -6.931 1.00 0.00 O ATOM 589 OE2 GLU A 36 5.995 -31.877 -5.621 1.00 0.00 O ATOM 0 H GLU A 36 3.891 -26.498 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 36 2.141 -28.829 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.001 -28.384 -5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.161 -28.583 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.281 -30.922 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.247 -30.704 -5.484 1.00 0.00 H new ATOM 596 N VAL A 37 3.498 -30.089 -2.048 1.00 0.00 N ATOM 597 CA VAL A 37 4.101 -30.725 -0.858 1.00 0.00 C ATOM 598 C VAL A 37 5.520 -30.197 -0.554 1.00 0.00 C ATOM 599 O VAL A 37 5.932 -30.231 0.601 1.00 0.00 O ATOM 600 CB VAL A 37 4.125 -32.255 -1.086 1.00 0.00 C ATOM 601 CG1 VAL A 37 5.065 -33.030 -0.157 1.00 0.00 C ATOM 602 CG2 VAL A 37 2.707 -32.825 -0.939 1.00 0.00 C ATOM 0 H VAL A 37 3.074 -30.770 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 37 3.495 -30.475 0.013 1.00 0.00 H new ATOM 0 HB VAL A 37 4.512 -32.388 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.014 -34.093 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.087 -32.677 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.764 -32.872 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.730 -33.903 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.333 -32.616 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.050 -32.361 -1.675 1.00 0.00 H new ATOM 612 N LYS A 38 6.241 -29.689 -1.567 1.00 0.00 N ATOM 613 CA LYS A 38 7.541 -28.973 -1.514 1.00 0.00 C ATOM 614 C LYS A 38 7.605 -27.695 -0.624 1.00 0.00 C ATOM 615 O LYS A 38 8.456 -26.838 -0.846 1.00 0.00 O ATOM 616 CB LYS A 38 7.949 -28.624 -2.961 1.00 0.00 C ATOM 617 CG LYS A 38 8.292 -29.807 -3.882 1.00 0.00 C ATOM 618 CD LYS A 38 8.738 -29.258 -5.252 1.00 0.00 C ATOM 619 CE LYS A 38 9.284 -30.316 -6.222 1.00 0.00 C ATOM 620 NZ LYS A 38 8.208 -31.109 -6.860 1.00 0.00 N ATOM 0 H LYS A 38 5.908 -29.772 -2.527 1.00 0.00 H new ATOM 0 HA LYS A 38 8.234 -29.658 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.136 -28.060 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.813 -27.961 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.085 -30.411 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.425 -30.457 -4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.890 -28.758 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.506 -28.501 -5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.876 -29.825 -6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.955 -30.986 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.625 -31.774 -7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.690 -31.640 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.553 -30.470 -7.355 1.00 0.00 H new ATOM 634 N ASN A 39 6.714 -27.530 0.354 1.00 0.00 N ATOM 635 CA ASN A 39 6.769 -26.432 1.322 1.00 0.00 C ATOM 636 C ASN A 39 8.071 -26.487 2.175 1.00 0.00 C ATOM 637 O ASN A 39 8.720 -27.532 2.247 1.00 0.00 O ATOM 638 CB ASN A 39 5.457 -26.455 2.133 1.00 0.00 C ATOM 639 CG ASN A 39 5.059 -25.084 2.635 1.00 0.00 C ATOM 640 OD1 ASN A 39 5.768 -24.100 2.498 1.00 0.00 O ATOM 641 ND2 ASN A 39 3.854 -24.942 3.129 1.00 0.00 N ATOM 0 H ASN A 39 5.926 -28.161 0.499 1.00 0.00 H new ATOM 0 HA ASN A 39 6.832 -25.465 0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.657 -26.857 1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.570 -27.130 2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.517 -24.016 3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.252 -25.757 3.248 1.00 0.00 H new ATOM 648 N ALA A 40 8.444 -25.390 2.846 1.00 0.00 N ATOM 649 CA ALA A 40 9.759 -25.238 3.493 1.00 0.00 C ATOM 650 C ALA A 40 9.714 -24.538 4.875 1.00 0.00 C ATOM 651 O ALA A 40 8.701 -24.577 5.564 1.00 0.00 O ATOM 652 CB ALA A 40 10.672 -24.521 2.488 1.00 0.00 C ATOM 0 H ALA A 40 7.840 -24.576 2.958 1.00 0.00 H new ATOM 0 HA ALA A 40 10.154 -26.224 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.661 -24.386 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.756 -25.120 1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.249 -23.547 2.242 1.00 0.00 H new ATOM 658 N MET A 41 10.825 -23.914 5.293 1.00 0.00 N ATOM 659 CA MET A 41 11.029 -23.367 6.649 1.00 0.00 C ATOM 660 C MET A 41 10.976 -21.825 6.727 1.00 0.00 C ATOM 661 O MET A 41 11.447 -21.237 7.698 1.00 0.00 O ATOM 662 CB MET A 41 12.357 -23.893 7.225 1.00 0.00 C ATOM 663 CG MET A 41 12.524 -25.420 7.173 1.00 0.00 C ATOM 664 SD MET A 41 11.184 -26.433 7.865 1.00 0.00 S ATOM 665 CE MET A 41 11.016 -25.753 9.539 1.00 0.00 C ATOM 0 H MET A 41 11.630 -23.770 4.683 1.00 0.00 H new ATOM 0 HA MET A 41 10.189 -23.715 7.250 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.181 -23.433 6.679 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.441 -23.568 8.262 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.660 -25.708 6.131 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.445 -25.676 7.697 1.00 0.00 H new ATOM 0 HE1 MET A 41 10.228 -26.286 10.071 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.958 -25.869 10.075 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.762 -24.695 9.478 1.00 0.00 H new ATOM 675 N THR A 42 10.454 -21.163 5.693 1.00 0.00 N ATOM 676 CA THR A 42 10.144 -19.727 5.643 1.00 0.00 C ATOM 677 C THR A 42 9.013 -19.327 6.615 1.00 0.00 C ATOM 678 O THR A 42 8.529 -20.123 7.407 1.00 0.00 O ATOM 679 CB THR A 42 9.733 -19.345 4.193 1.00 0.00 C ATOM 680 OG1 THR A 42 10.069 -20.340 3.245 1.00 0.00 O ATOM 681 CG2 THR A 42 10.433 -18.056 3.776 1.00 0.00 C ATOM 0 H THR A 42 10.223 -21.637 4.820 1.00 0.00 H new ATOM 0 HA THR A 42 11.041 -19.188 5.950 1.00 0.00 H new ATOM 0 HB THR A 42 8.649 -19.228 4.205 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.544 -19.928 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.140 -17.795 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.147 -17.251 4.454 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.513 -18.199 3.817 1.00 0.00 H new ATOM 689 N GLU A 43 8.505 -18.094 6.500 1.00 0.00 N ATOM 690 CA GLU A 43 7.248 -17.601 7.116 1.00 0.00 C ATOM 691 C GLU A 43 5.980 -18.412 6.767 1.00 0.00 C ATOM 692 O GLU A 43 4.872 -18.096 7.199 1.00 0.00 O ATOM 693 CB GLU A 43 7.023 -16.155 6.661 1.00 0.00 C ATOM 694 CG GLU A 43 7.063 -15.982 5.129 1.00 0.00 C ATOM 695 CD GLU A 43 7.022 -14.500 4.728 1.00 0.00 C ATOM 696 OE1 GLU A 43 6.754 -13.639 5.595 1.00 0.00 O ATOM 697 OE2 GLU A 43 7.186 -14.204 3.526 1.00 0.00 O ATOM 0 H GLU A 43 8.974 -17.373 5.952 1.00 0.00 H new ATOM 0 HA GLU A 43 7.386 -17.700 8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.058 -15.811 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.784 -15.518 7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.969 -16.442 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.218 -16.505 4.681 1.00 0.00 H new ATOM 704 N THR A 44 6.152 -19.398 5.894 1.00 0.00 N ATOM 705 CA THR A 44 5.190 -20.424 5.476 1.00 0.00 C ATOM 706 C THR A 44 4.490 -21.252 6.547 1.00 0.00 C ATOM 707 O THR A 44 5.026 -21.599 7.592 1.00 0.00 O ATOM 708 CB THR A 44 5.802 -21.306 4.383 1.00 0.00 C ATOM 709 OG1 THR A 44 4.778 -22.005 3.720 1.00 0.00 O ATOM 710 CG2 THR A 44 6.823 -22.305 4.908 1.00 0.00 C ATOM 0 H THR A 44 7.045 -19.514 5.416 1.00 0.00 H new ATOM 0 HA THR A 44 4.356 -19.836 5.092 1.00 0.00 H new ATOM 0 HB THR A 44 6.331 -20.637 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.167 -22.562 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.214 -22.895 4.079 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.641 -21.770 5.390 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.346 -22.967 5.631 1.00 0.00 H new ATOM 718 N LEU A 45 3.229 -21.570 6.231 1.00 0.00 N ATOM 719 CA LEU A 45 2.268 -22.158 7.151 1.00 0.00 C ATOM 720 C LEU A 45 1.348 -23.194 6.494 1.00 0.00 C ATOM 721 O LEU A 45 0.784 -24.010 7.201 1.00 0.00 O ATOM 722 CB LEU A 45 1.361 -21.050 7.746 1.00 0.00 C ATOM 723 CG LEU A 45 1.957 -19.633 7.918 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.859 -18.576 7.821 1.00 0.00 C ATOM 725 CD2 LEU A 45 2.689 -19.529 9.249 1.00 0.00 C ATOM 0 H LEU A 45 2.845 -21.418 5.298 1.00 0.00 H new ATOM 0 HA LEU A 45 2.861 -22.659 7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.479 -20.966 7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.019 -21.389 8.724 1.00 0.00 H new ATOM 0 HG LEU A 45 2.672 -19.454 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.296 -17.585 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.376 -18.641 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.120 -18.746 8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.104 -18.527 9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.992 -19.724 10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.496 -20.261 9.279 1.00 0.00 H new ATOM 737 N LEU A 46 1.127 -23.171 5.176 1.00 0.00 N ATOM 738 CA LEU A 46 0.024 -23.921 4.551 1.00 0.00 C ATOM 739 C LEU A 46 0.199 -24.163 3.041 1.00 0.00 C ATOM 740 O LEU A 46 1.118 -23.607 2.452 1.00 0.00 O ATOM 741 CB LEU A 46 -1.273 -23.183 4.925 1.00 0.00 C ATOM 742 CG LEU A 46 -1.536 -21.763 4.396 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.508 -21.050 5.339 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.363 -20.826 4.152 1.00 0.00 C ATOM 0 H LEU A 46 1.697 -22.641 4.517 1.00 0.00 H new ATOM 0 HA LEU A 46 0.000 -24.941 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.105 -23.808 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.315 -23.135 6.013 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.920 -21.961 3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.699 -20.042 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.445 -21.605 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.072 -20.995 6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.732 -19.870 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.177 -20.669 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.308 -21.267 3.415 1.00 0.00 H new ATOM 756 N VAL A 47 -0.676 -24.974 2.416 1.00 0.00 N ATOM 757 CA VAL A 47 -0.457 -25.542 1.064 1.00 0.00 C ATOM 758 C VAL A 47 -1.694 -25.558 0.149 1.00 0.00 C ATOM 759 O VAL A 47 -2.700 -26.221 0.433 1.00 0.00 O ATOM 760 CB VAL A 47 0.065 -26.991 1.176 1.00 0.00 C ATOM 761 CG1 VAL A 47 0.608 -27.439 -0.186 1.00 0.00 C ATOM 762 CG2 VAL A 47 1.153 -27.199 2.234 1.00 0.00 C ATOM 0 H VAL A 47 -1.562 -25.258 2.835 1.00 0.00 H new ATOM 0 HA VAL A 47 0.269 -24.873 0.603 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.788 -27.590 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.978 -28.462 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.189 -27.394 -0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.422 -26.780 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.458 -28.245 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.013 -26.572 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.763 -26.928 3.215 1.00 0.00 H new ATOM 772 N GLN A 48 -1.601 -24.833 -0.973 1.00 0.00 N ATOM 773 CA GLN A 48 -2.673 -24.633 -1.954 1.00 0.00 C ATOM 774 C GLN A 48 -3.430 -25.902 -2.327 1.00 0.00 C ATOM 775 O GLN A 48 -2.879 -26.827 -2.916 1.00 0.00 O ATOM 776 CB GLN A 48 -2.142 -23.956 -3.209 1.00 0.00 C ATOM 777 CG GLN A 48 -2.074 -22.442 -3.024 1.00 0.00 C ATOM 778 CD GLN A 48 -1.735 -21.824 -4.368 1.00 0.00 C ATOM 779 OE1 GLN A 48 -0.630 -21.402 -4.654 1.00 0.00 O ATOM 780 NE2 GLN A 48 -2.646 -21.809 -5.307 1.00 0.00 N ATOM 0 H GLN A 48 -0.741 -24.350 -1.232 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.395 -23.984 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.150 -24.343 -3.444 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.786 -24.194 -4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.026 -22.059 -2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.319 -22.182 -2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.586 -22.153 -5.111 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.416 -21.453 -6.235 1.00 0.00 H new ATOM 789 N ASN A 49 -4.715 -25.878 -1.964 1.00 0.00 N ATOM 790 CA ASN A 49 -5.738 -26.912 -2.002 1.00 0.00 C ATOM 791 C ASN A 49 -5.334 -28.360 -1.613 1.00 0.00 C ATOM 792 O ASN A 49 -6.231 -29.194 -1.550 1.00 0.00 O ATOM 793 CB ASN A 49 -6.388 -26.795 -3.390 1.00 0.00 C ATOM 794 CG ASN A 49 -7.706 -27.541 -3.503 1.00 0.00 C ATOM 795 OD1 ASN A 49 -8.489 -27.573 -2.561 1.00 0.00 O ATOM 796 ND2 ASN A 49 -7.999 -28.139 -4.630 1.00 0.00 N ATOM 0 H ASN A 49 -5.107 -25.015 -1.587 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.439 -26.723 -1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.554 -25.742 -3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.697 -27.178 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.884 -28.636 -4.728 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.342 -28.108 -5.410 1.00 0.00 H new ATOM 803 N ALA A 50 -4.066 -28.625 -1.270 1.00 0.00 N ATOM 804 CA ALA A 50 -3.363 -29.906 -1.126 1.00 0.00 C ATOM 805 C ALA A 50 -4.199 -31.193 -1.123 1.00 0.00 C ATOM 806 O ALA A 50 -4.003 -32.079 -1.953 1.00 0.00 O ATOM 807 CB ALA A 50 -2.458 -29.808 0.106 1.00 0.00 C ATOM 0 H ALA A 50 -3.433 -27.852 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.799 -30.034 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.921 -30.747 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.742 -28.998 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.066 -29.609 0.989 1.00 0.00 H new ATOM 813 N ASN A 51 -5.105 -31.288 -0.164 1.00 0.00 N ATOM 814 CA ASN A 51 -6.022 -32.392 0.105 1.00 0.00 C ATOM 815 C ASN A 51 -7.254 -31.835 0.868 1.00 0.00 C ATOM 816 O ASN A 51 -7.205 -30.686 1.324 1.00 0.00 O ATOM 817 CB ASN A 51 -5.223 -33.424 0.919 1.00 0.00 C ATOM 818 CG ASN A 51 -4.731 -32.831 2.204 1.00 0.00 C ATOM 819 OD1 ASN A 51 -5.425 -32.796 3.192 1.00 0.00 O ATOM 820 ND2 ASN A 51 -3.557 -32.261 2.217 1.00 0.00 N ATOM 0 H ASN A 51 -5.231 -30.530 0.507 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.404 -32.871 -0.797 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.850 -34.290 1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.377 -33.780 0.331 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.229 -31.788 3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.968 -32.288 1.385 1.00 0.00 H new ATOM 827 N PRO A 52 -8.390 -32.553 0.977 1.00 0.00 N ATOM 828 CA PRO A 52 -9.535 -32.111 1.791 1.00 0.00 C ATOM 829 C PRO A 52 -9.335 -32.333 3.305 1.00 0.00 C ATOM 830 O PRO A 52 -9.977 -31.669 4.126 1.00 0.00 O ATOM 831 CB PRO A 52 -10.722 -32.920 1.262 1.00 0.00 C ATOM 832 CG PRO A 52 -10.087 -34.228 0.788 1.00 0.00 C ATOM 833 CD PRO A 52 -8.685 -33.823 0.325 1.00 0.00 C ATOM 0 HA PRO A 52 -9.681 -31.035 1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.466 -33.095 2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.228 -32.402 0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.043 -34.963 1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.660 -34.677 -0.024 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.951 -34.581 0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.648 -33.721 -0.760 1.00 0.00 H new ATOM 841 N ASP A 53 -8.454 -33.267 3.649 1.00 0.00 N ATOM 842 CA ASP A 53 -8.221 -33.777 4.998 1.00 0.00 C ATOM 843 C ASP A 53 -7.683 -32.677 5.927 1.00 0.00 C ATOM 844 O ASP A 53 -8.361 -32.296 6.881 1.00 0.00 O ATOM 845 CB ASP A 53 -7.290 -35.020 4.958 1.00 0.00 C ATOM 846 CG ASP A 53 -7.127 -35.703 3.584 1.00 0.00 C ATOM 847 OD1 ASP A 53 -8.143 -36.004 2.915 1.00 0.00 O ATOM 848 OD2 ASP A 53 -5.970 -35.847 3.133 1.00 0.00 O ATOM 0 H ASP A 53 -7.851 -33.713 2.958 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.176 -34.097 5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.303 -34.721 5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.672 -35.757 5.664 1.00 0.00 H new ATOM 853 N CYS A 54 -6.522 -32.093 5.598 1.00 0.00 N ATOM 854 CA CYS A 54 -5.907 -30.975 6.307 1.00 0.00 C ATOM 855 C CYS A 54 -6.919 -29.858 6.545 1.00 0.00 C ATOM 856 O CYS A 54 -7.272 -29.546 7.673 1.00 0.00 O ATOM 857 CB CYS A 54 -4.643 -30.470 5.567 1.00 0.00 C ATOM 858 SG CYS A 54 -4.873 -29.740 3.910 1.00 0.00 S ATOM 0 H CYS A 54 -5.969 -32.403 4.799 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.581 -31.329 7.285 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.158 -29.725 6.198 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.951 -31.307 5.473 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.721 -29.370 3.435 1.00 0.00 H new ATOM 864 N LYS A 55 -7.442 -29.306 5.463 1.00 0.00 N ATOM 865 CA LYS A 55 -8.511 -28.295 5.432 1.00 0.00 C ATOM 866 C LYS A 55 -9.594 -28.507 6.500 1.00 0.00 C ATOM 867 O LYS A 55 -9.875 -27.571 7.242 1.00 0.00 O ATOM 868 CB LYS A 55 -9.139 -28.325 4.037 1.00 0.00 C ATOM 869 CG LYS A 55 -8.629 -27.190 3.119 1.00 0.00 C ATOM 870 CD LYS A 55 -8.215 -27.630 1.707 1.00 0.00 C ATOM 871 CE LYS A 55 -9.331 -28.362 0.948 1.00 0.00 C ATOM 872 NZ LYS A 55 -8.812 -29.023 -0.273 1.00 0.00 N ATOM 0 H LYS A 55 -7.122 -29.558 4.528 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.065 -27.326 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.926 -29.286 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.222 -28.250 4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.410 -26.435 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.775 -26.712 3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.911 -26.753 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.345 -28.282 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.789 -29.106 1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.113 -27.653 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.545 -29.644 -0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.553 -28.301 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.973 -29.588 -0.032 1.00 0.00 H new ATOM 886 N THR A 56 -10.174 -29.708 6.564 1.00 0.00 N ATOM 887 CA THR A 56 -11.225 -30.107 7.521 1.00 0.00 C ATOM 888 C THR A 56 -10.728 -30.172 8.969 1.00 0.00 C ATOM 889 O THR A 56 -11.499 -29.939 9.900 1.00 0.00 O ATOM 890 CB THR A 56 -11.814 -31.475 7.122 1.00 0.00 C ATOM 891 OG1 THR A 56 -12.253 -31.410 5.785 1.00 0.00 O ATOM 892 CG2 THR A 56 -13.034 -31.884 7.948 1.00 0.00 C ATOM 0 H THR A 56 -9.919 -30.464 5.928 1.00 0.00 H new ATOM 0 HA THR A 56 -11.992 -29.334 7.476 1.00 0.00 H new ATOM 0 HB THR A 56 -11.019 -32.203 7.286 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.482 -31.479 5.184 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.393 -32.856 7.610 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.757 -31.945 9.000 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.823 -31.143 7.823 1.00 0.00 H new ATOM 900 N ILE A 57 -9.435 -30.444 9.151 1.00 0.00 N ATOM 901 CA ILE A 57 -8.790 -30.619 10.473 1.00 0.00 C ATOM 902 C ILE A 57 -8.289 -29.285 11.040 1.00 0.00 C ATOM 903 O ILE A 57 -8.767 -28.833 12.083 1.00 0.00 O ATOM 904 CB ILE A 57 -7.632 -31.640 10.388 1.00 0.00 C ATOM 905 CG1 ILE A 57 -8.174 -33.046 10.056 1.00 0.00 C ATOM 906 CG2 ILE A 57 -6.825 -31.700 11.702 1.00 0.00 C ATOM 907 CD1 ILE A 57 -7.090 -33.933 9.434 1.00 0.00 C ATOM 0 H ILE A 57 -8.785 -30.553 8.373 1.00 0.00 H new ATOM 0 HA ILE A 57 -9.546 -31.006 11.156 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.967 -31.306 9.592 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.553 -33.515 10.964 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.015 -32.960 9.367 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.021 -32.429 11.602 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.401 -30.718 11.914 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.483 -31.995 12.520 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.507 -34.916 9.213 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.730 -33.476 8.512 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.261 -34.039 10.134 1.00 0.00 H new ATOM 919 N LEU A 58 -7.344 -28.622 10.360 1.00 0.00 N ATOM 920 CA LEU A 58 -6.794 -27.343 10.811 1.00 0.00 C ATOM 921 C LEU A 58 -7.869 -26.267 10.934 1.00 0.00 C ATOM 922 O LEU A 58 -7.710 -25.366 11.749 1.00 0.00 O ATOM 923 CB LEU A 58 -5.644 -26.857 9.934 1.00 0.00 C ATOM 924 CG LEU A 58 -4.478 -27.856 9.864 1.00 0.00 C ATOM 925 CD1 LEU A 58 -4.629 -28.848 8.722 1.00 0.00 C ATOM 926 CD2 LEU A 58 -3.187 -27.080 9.673 1.00 0.00 C ATOM 0 H LEU A 58 -6.942 -28.958 9.485 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.389 -27.529 11.806 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.016 -26.671 8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.277 -25.906 10.319 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.469 -28.425 10.794 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.779 -29.530 8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.550 -29.416 8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.666 -28.310 7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.349 -27.775 9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.241 -26.507 8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.043 -26.400 10.513 1.00 0.00 H new ATOM 938 N LYS A 59 -9.003 -26.441 10.235 1.00 0.00 N ATOM 939 CA LYS A 59 -10.268 -25.707 10.451 1.00 0.00 C ATOM 940 C LYS A 59 -10.727 -25.507 11.901 1.00 0.00 C ATOM 941 O LYS A 59 -11.696 -24.784 12.127 1.00 0.00 O ATOM 942 CB LYS A 59 -11.355 -26.468 9.719 1.00 0.00 C ATOM 943 CG LYS A 59 -11.803 -25.698 8.484 1.00 0.00 C ATOM 944 CD LYS A 59 -12.716 -24.481 8.744 1.00 0.00 C ATOM 945 CE LYS A 59 -14.097 -24.746 9.373 1.00 0.00 C ATOM 946 NZ LYS A 59 -14.035 -24.978 10.839 1.00 0.00 N ATOM 0 H LYS A 59 -9.070 -27.120 9.477 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.081 -24.698 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.986 -27.452 9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.205 -26.630 10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.916 -25.355 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.327 -26.386 7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.178 -23.790 9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.872 -23.969 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.750 -23.896 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.548 -25.614 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.163 -25.991 11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.110 -24.669 11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.788 -24.436 11.308 1.00 0.00 H new ATOM 960 N ALA A 60 -10.142 -26.278 12.800 1.00 0.00 N ATOM 961 CA ALA A 60 -10.163 -26.112 14.249 1.00 0.00 C ATOM 962 C ALA A 60 -8.722 -26.131 14.821 1.00 0.00 C ATOM 963 O ALA A 60 -8.411 -25.426 15.785 1.00 0.00 O ATOM 964 CB ALA A 60 -11.031 -27.229 14.843 1.00 0.00 C ATOM 0 H ALA A 60 -9.600 -27.096 12.520 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.591 -25.146 14.517 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.063 -27.127 15.928 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.042 -27.157 14.442 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.606 -28.198 14.582 1.00 0.00 H new ATOM 970 N LEU A 61 -7.817 -26.903 14.202 1.00 0.00 N ATOM 971 CA LEU A 61 -6.460 -27.213 14.664 1.00 0.00 C ATOM 972 C LEU A 61 -5.424 -26.190 14.155 1.00 0.00 C ATOM 973 O LEU A 61 -4.370 -26.534 13.621 1.00 0.00 O ATOM 974 CB LEU A 61 -6.140 -28.701 14.364 1.00 0.00 C ATOM 975 CG LEU A 61 -5.591 -29.462 15.594 1.00 0.00 C ATOM 976 CD1 LEU A 61 -5.783 -30.973 15.456 1.00 0.00 C ATOM 977 CD2 LEU A 61 -4.110 -29.168 15.831 1.00 0.00 C ATOM 0 H LEU A 61 -8.028 -27.354 13.312 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.399 -27.104 15.747 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.044 -29.197 14.011 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.411 -28.754 13.556 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.164 -29.106 16.450 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.385 -31.473 16.339 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.845 -31.198 15.360 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.256 -31.327 14.570 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.764 -29.722 16.704 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.534 -29.472 14.957 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.974 -28.100 16.002 1.00 0.00 H new ATOM 989 N GLY A 62 -5.695 -24.909 14.416 1.00 0.00 N ATOM 990 CA GLY A 62 -4.752 -23.799 14.222 1.00 0.00 C ATOM 991 C GLY A 62 -4.255 -23.177 15.534 1.00 0.00 C ATOM 992 O GLY A 62 -4.366 -21.959 15.676 1.00 0.00 O ATOM 0 H GLY A 62 -6.599 -24.605 14.777 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.895 -24.157 13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.233 -23.026 13.623 1.00 0.00 H new ATOM 996 N PRO A 63 -3.728 -23.942 16.518 1.00 0.00 N ATOM 997 CA PRO A 63 -3.332 -23.431 17.837 1.00 0.00 C ATOM 998 C PRO A 63 -1.995 -22.666 17.817 1.00 0.00 C ATOM 999 O PRO A 63 -1.246 -22.708 18.785 1.00 0.00 O ATOM 1000 CB PRO A 63 -3.274 -24.687 18.723 1.00 0.00 C ATOM 1001 CG PRO A 63 -2.707 -25.724 17.758 1.00 0.00 C ATOM 1002 CD PRO A 63 -3.447 -25.374 16.470 1.00 0.00 C ATOM 0 HA PRO A 63 -4.039 -22.689 18.209 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.633 -24.544 19.593 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.258 -24.970 19.096 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.626 -25.635 17.648 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.911 -26.744 18.085 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.841 -25.620 15.598 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.371 -25.946 16.388 1.00 0.00 H new ATOM 1010 N ALA A 64 -1.660 -22.031 16.692 1.00 0.00 N ATOM 1011 CA ALA A 64 -0.407 -21.298 16.447 1.00 0.00 C ATOM 1012 C ALA A 64 0.923 -22.070 16.688 1.00 0.00 C ATOM 1013 O ALA A 64 1.968 -21.438 16.798 1.00 0.00 O ATOM 1014 CB ALA A 64 -0.481 -19.953 17.190 1.00 0.00 C ATOM 0 H ALA A 64 -2.283 -22.010 15.885 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.347 -21.138 15.370 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.439 -19.393 17.022 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.329 -19.378 16.818 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.605 -20.134 18.258 1.00 0.00 H new ATOM 1020 N ALA A 65 0.900 -23.410 16.728 1.00 0.00 N ATOM 1021 CA ALA A 65 2.095 -24.264 16.764 1.00 0.00 C ATOM 1022 C ALA A 65 1.883 -25.537 15.929 1.00 0.00 C ATOM 1023 O ALA A 65 2.330 -25.594 14.796 1.00 0.00 O ATOM 1024 CB ALA A 65 2.453 -24.561 18.228 1.00 0.00 C ATOM 0 H ALA A 65 0.030 -23.942 16.736 1.00 0.00 H new ATOM 0 HA ALA A 65 2.940 -23.746 16.311 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.339 -25.195 18.265 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.654 -23.626 18.750 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.620 -25.074 18.709 1.00 0.00 H new ATOM 1030 N THR A 66 1.066 -26.502 16.379 1.00 0.00 N ATOM 1031 CA THR A 66 0.857 -27.810 15.701 1.00 0.00 C ATOM 1032 C THR A 66 0.543 -27.748 14.197 1.00 0.00 C ATOM 1033 O THR A 66 0.772 -28.701 13.466 1.00 0.00 O ATOM 1034 CB THR A 66 -0.269 -28.609 16.379 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.285 -28.382 17.773 1.00 0.00 O ATOM 1036 CG2 THR A 66 -0.125 -30.114 16.171 1.00 0.00 C ATOM 0 H THR A 66 0.520 -26.403 17.235 1.00 0.00 H new ATOM 0 HA THR A 66 1.827 -28.297 15.801 1.00 0.00 H new ATOM 0 HB THR A 66 -1.192 -28.262 15.915 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.011 -28.900 18.180 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.945 -30.630 16.670 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.150 -30.338 15.105 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.824 -30.450 16.590 1.00 0.00 H new ATOM 1044 N LEU A 67 0.040 -26.621 13.696 1.00 0.00 N ATOM 1045 CA LEU A 67 -0.127 -26.374 12.264 1.00 0.00 C ATOM 1046 C LEU A 67 1.138 -26.698 11.450 1.00 0.00 C ATOM 1047 O LEU A 67 1.029 -27.334 10.415 1.00 0.00 O ATOM 1048 CB LEU A 67 -0.542 -24.912 12.131 1.00 0.00 C ATOM 1049 CG LEU A 67 -1.110 -24.393 10.789 1.00 0.00 C ATOM 1050 CD1 LEU A 67 -0.845 -22.891 10.724 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.497 -25.047 9.588 1.00 0.00 C ATOM 0 H LEU A 67 -0.267 -25.843 14.280 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.887 -27.036 11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.291 -24.715 12.899 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.329 -24.303 12.372 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.174 -24.630 10.763 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.235 -22.493 9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.339 -22.398 11.561 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.228 -22.708 10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.942 -24.635 8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.577 -24.861 9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.679 -26.121 9.626 1.00 0.00 H new ATOM 1063 N GLU A 68 2.317 -26.307 11.913 1.00 0.00 N ATOM 1064 CA GLU A 68 3.622 -26.618 11.297 1.00 0.00 C ATOM 1065 C GLU A 68 3.732 -28.031 10.712 1.00 0.00 C ATOM 1066 O GLU A 68 4.220 -28.196 9.595 1.00 0.00 O ATOM 1067 CB GLU A 68 4.728 -26.444 12.357 1.00 0.00 C ATOM 1068 CG GLU A 68 4.799 -25.016 12.882 1.00 0.00 C ATOM 1069 CD GLU A 68 5.751 -24.878 14.090 1.00 0.00 C ATOM 1070 OE1 GLU A 68 6.940 -25.259 13.960 1.00 0.00 O ATOM 1071 OE2 GLU A 68 5.273 -24.408 15.151 1.00 0.00 O ATOM 0 H GLU A 68 2.406 -25.743 12.758 1.00 0.00 H new ATOM 0 HA GLU A 68 3.732 -25.927 10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.544 -27.126 13.187 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.690 -26.719 11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.133 -24.354 12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.800 -24.688 13.171 1.00 0.00 H new ATOM 1078 N GLU A 69 3.214 -29.031 11.430 1.00 0.00 N ATOM 1079 CA GLU A 69 3.049 -30.378 10.851 1.00 0.00 C ATOM 1080 C GLU A 69 1.813 -30.484 9.946 1.00 0.00 C ATOM 1081 O GLU A 69 1.891 -30.940 8.804 1.00 0.00 O ATOM 1082 CB GLU A 69 3.028 -31.487 11.920 1.00 0.00 C ATOM 1083 CG GLU A 69 1.960 -31.377 13.020 1.00 0.00 C ATOM 1084 CD GLU A 69 1.618 -32.705 13.712 1.00 0.00 C ATOM 1085 OE1 GLU A 69 2.497 -33.596 13.774 1.00 0.00 O ATOM 1086 OE2 GLU A 69 0.456 -32.805 14.164 1.00 0.00 O ATOM 0 H GLU A 69 2.904 -28.942 12.398 1.00 0.00 H new ATOM 0 HA GLU A 69 3.932 -30.533 10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.895 -32.443 11.414 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.006 -31.514 12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.304 -30.668 13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.050 -30.964 12.585 1.00 0.00 H new ATOM 1093 N MET A 70 0.655 -30.034 10.424 1.00 0.00 N ATOM 1094 CA MET A 70 -0.647 -30.251 9.785 1.00 0.00 C ATOM 1095 C MET A 70 -0.769 -29.630 8.386 1.00 0.00 C ATOM 1096 O MET A 70 -1.492 -30.144 7.531 1.00 0.00 O ATOM 1097 CB MET A 70 -1.725 -29.698 10.700 1.00 0.00 C ATOM 1098 CG MET A 70 -1.751 -30.194 12.129 1.00 0.00 C ATOM 1099 SD MET A 70 -3.315 -30.969 12.611 1.00 0.00 S ATOM 1100 CE MET A 70 -2.656 -32.282 13.677 1.00 0.00 C ATOM 0 H MET A 70 0.591 -29.495 11.287 1.00 0.00 H new ATOM 0 HA MET A 70 -0.762 -31.325 9.636 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.623 -28.613 10.722 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.693 -29.918 10.250 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.943 -30.912 12.268 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.551 -29.356 12.797 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.479 -32.876 14.074 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.993 -32.924 13.096 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.099 -31.836 14.501 1.00 0.00 H new ATOM 1110 N MET A 71 0.004 -28.565 8.160 1.00 0.00 N ATOM 1111 CA MET A 71 0.304 -27.847 6.916 1.00 0.00 C ATOM 1112 C MET A 71 0.260 -28.787 5.708 1.00 0.00 C ATOM 1113 O MET A 71 -0.466 -28.540 4.740 1.00 0.00 O ATOM 1114 CB MET A 71 1.712 -27.223 7.103 1.00 0.00 C ATOM 1115 CG MET A 71 2.382 -26.672 5.829 1.00 0.00 C ATOM 1116 SD MET A 71 4.195 -26.653 5.871 1.00 0.00 S ATOM 1117 CE MET A 71 4.519 -25.439 7.178 1.00 0.00 C ATOM 0 H MET A 71 0.496 -28.131 8.941 1.00 0.00 H new ATOM 0 HA MET A 71 -0.439 -27.075 6.718 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.635 -26.413 7.828 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.368 -27.978 7.537 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.059 -27.270 4.977 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.026 -25.656 5.658 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.595 -25.327 7.312 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.086 -24.479 6.898 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.071 -25.781 8.111 1.00 0.00 H new ATOM 1127 N THR A 72 1.008 -29.883 5.818 1.00 0.00 N ATOM 1128 CA THR A 72 1.227 -30.875 4.768 1.00 0.00 C ATOM 1129 C THR A 72 1.044 -32.298 5.283 1.00 0.00 C ATOM 1130 O THR A 72 0.656 -33.179 4.520 1.00 0.00 O ATOM 1131 CB THR A 72 2.670 -30.791 4.242 1.00 0.00 C ATOM 1132 OG1 THR A 72 3.129 -29.462 4.136 1.00 0.00 O ATOM 1133 CG2 THR A 72 2.837 -31.395 2.850 1.00 0.00 C ATOM 0 H THR A 72 1.500 -30.114 6.681 1.00 0.00 H new ATOM 0 HA THR A 72 0.498 -30.657 3.988 1.00 0.00 H new ATOM 0 HB THR A 72 3.244 -31.353 4.978 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.297 -29.101 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.877 -31.304 2.536 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.556 -32.448 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.198 -30.865 2.144 1.00 0.00 H new ATOM 1141 N ALA A 73 1.308 -32.544 6.570 1.00 0.00 N ATOM 1142 CA ALA A 73 1.404 -33.889 7.133 1.00 0.00 C ATOM 1143 C ALA A 73 0.032 -34.522 7.368 1.00 0.00 C ATOM 1144 O ALA A 73 -0.070 -35.734 7.538 1.00 0.00 O ATOM 1145 CB ALA A 73 2.240 -33.877 8.421 1.00 0.00 C ATOM 0 H ALA A 73 1.462 -31.805 7.256 1.00 0.00 H new ATOM 0 HA ALA A 73 1.911 -34.513 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.300 -34.887 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.244 -33.514 8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.770 -33.220 9.153 1.00 0.00 H new ATOM 1151 N CYS A 74 -1.030 -33.711 7.321 1.00 0.00 N ATOM 1152 CA CYS A 74 -2.390 -34.234 7.404 1.00 0.00 C ATOM 1153 C CYS A 74 -2.846 -34.903 6.099 1.00 0.00 C ATOM 1154 O CYS A 74 -3.907 -35.521 6.089 1.00 0.00 O ATOM 1155 CB CYS A 74 -3.350 -33.121 7.838 1.00 0.00 C ATOM 1156 SG CYS A 74 -3.156 -32.894 9.623 1.00 0.00 S ATOM 0 H CYS A 74 -0.971 -32.697 7.227 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.400 -35.020 8.159 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.127 -32.195 7.308 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.379 -33.387 7.596 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.955 -31.953 10.030 1.00 0.00 H new ATOM 1162 N GLN A 75 -2.103 -34.771 4.991 1.00 0.00 N ATOM 1163 CA GLN A 75 -2.541 -35.279 3.694 1.00 0.00 C ATOM 1164 C GLN A 75 -2.555 -36.816 3.691 1.00 0.00 C ATOM 1165 O GLN A 75 -1.517 -37.454 3.847 1.00 0.00 O ATOM 1166 CB GLN A 75 -1.691 -34.625 2.587 1.00 0.00 C ATOM 1167 CG GLN A 75 -0.298 -35.202 2.321 1.00 0.00 C ATOM 1168 CD GLN A 75 -0.295 -36.264 1.223 1.00 0.00 C ATOM 1169 OE1 GLN A 75 -0.917 -36.123 0.176 1.00 0.00 O ATOM 1170 NE2 GLN A 75 0.443 -37.337 1.390 1.00 0.00 N ATOM 0 H GLN A 75 -1.192 -34.313 4.973 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.574 -35.000 3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.257 -34.675 1.657 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.575 -33.570 2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.377 -34.394 2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.092 -35.637 3.241 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.966 -37.467 2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.494 -38.041 0.653 1.00 0.00 H new