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 54 CYS SG : rot -161:sc= -0.18 USER MOD Set 1.2: A 71 MET CE :methyl -155:sc= -0.723 (180deg=-1.78) USER MOD Set 2.1: A 51 ASN : amide:sc= -2.11! C(o=-3.3!,f=-5.1!) USER MOD Set 2.2: A 74 CYS SG : rot 60:sc= -1.17 USER MOD Set 3.1: A 34 SER OG : rot 146:sc= 0.922 USER MOD Set 3.2: A 42 THR OG1 : rot 71:sc= 2 USER MOD Set 3.3: A 44 THR OG1 : rot 95:sc= 2.38 USER MOD Set 4.1: A 25 TYR OH : rot 37:sc= -0.145 USER MOD Set 4.2: A 39 ASN :FLIP amide:sc= -0.584 F(o=-2,f=-0.73) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.17) USER MOD Single : A 20 TYR OH : rot 68:sc= 0.412 USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= -1.23 (180deg=-1.35) USER MOD Single : A 27 THR OG1 : rot -71:sc= 1.27 USER MOD Single : A 32 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.77) USER MOD Single : A 35 GLN : amide:sc= 0.977 K(o=0.98,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 172:sc= 0 (180deg=-0.0862) USER MOD Single : A 48 GLN : amide:sc= -0.0473 K(o=-0.047,f=-2.7!) USER MOD Single : A 49 ASN : amide:sc= 0.509 K(o=0.51,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -114:sc= 0.274 (180deg=-4.58!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00755 USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 0.222 (180deg=0.0375) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 70 MET CE :methyl 179:sc=-0.00557 (180deg=-0.00719) USER MOD Single : A 72 THR OG1 : rot 160:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 2.026 -10.388 0.928 1.00 0.00 N ATOM 71 CA ILE A 6 2.295 -10.823 2.305 1.00 0.00 C ATOM 72 C ILE A 6 2.523 -9.682 3.322 1.00 0.00 C ATOM 73 O ILE A 6 1.661 -9.476 4.174 1.00 0.00 O ATOM 74 CB ILE A 6 3.365 -11.937 2.321 1.00 0.00 C ATOM 75 CG1 ILE A 6 3.841 -12.256 3.750 1.00 0.00 C ATOM 76 CG2 ILE A 6 4.562 -11.686 1.384 1.00 0.00 C ATOM 77 CD1 ILE A 6 2.689 -12.496 4.740 1.00 0.00 C ATOM 0 HA ILE A 6 1.372 -11.263 2.683 1.00 0.00 H new ATOM 0 HB ILE A 6 2.856 -12.813 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.477 -13.141 3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.456 -11.432 4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.263 -12.517 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.208 -11.601 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.063 -10.762 1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.097 -12.715 5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.065 -11.604 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.087 -13.339 4.401 1.00 0.00 H new ATOM 89 N LEU A 7 3.599 -8.897 3.235 1.00 0.00 N ATOM 90 CA LEU A 7 3.903 -7.791 4.168 1.00 0.00 C ATOM 91 C LEU A 7 2.944 -6.570 4.121 1.00 0.00 C ATOM 92 O LEU A 7 3.295 -5.472 4.546 1.00 0.00 O ATOM 93 CB LEU A 7 5.387 -7.410 4.022 1.00 0.00 C ATOM 94 CG LEU A 7 5.785 -6.680 2.720 1.00 0.00 C ATOM 95 CD1 LEU A 7 7.152 -6.020 2.919 1.00 0.00 C ATOM 96 CD2 LEU A 7 5.887 -7.612 1.508 1.00 0.00 C ATOM 0 H LEU A 7 4.301 -9.008 2.503 1.00 0.00 H new ATOM 0 HA LEU A 7 3.715 -8.170 5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.662 -6.777 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.982 -8.320 4.099 1.00 0.00 H new ATOM 0 HG LEU A 7 4.999 -5.953 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.442 -5.502 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.095 -5.305 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.894 -6.783 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.170 -7.035 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.641 -8.376 1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.923 -8.089 1.334 1.00 0.00 H new ATOM 108 N ASP A 8 1.746 -6.780 3.584 1.00 0.00 N ATOM 109 CA ASP A 8 0.693 -5.791 3.268 1.00 0.00 C ATOM 110 C ASP A 8 -0.722 -6.340 3.577 1.00 0.00 C ATOM 111 O ASP A 8 -1.737 -5.670 3.400 1.00 0.00 O ATOM 112 CB ASP A 8 0.869 -5.447 1.786 1.00 0.00 C ATOM 113 CG ASP A 8 0.085 -4.255 1.239 1.00 0.00 C ATOM 114 OD1 ASP A 8 0.158 -3.127 1.777 1.00 0.00 O ATOM 115 OD2 ASP A 8 -0.449 -4.430 0.120 1.00 0.00 O ATOM 0 H ASP A 8 1.451 -7.724 3.333 1.00 0.00 H new ATOM 0 HA ASP A 8 0.790 -4.899 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.928 -5.263 1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.595 -6.326 1.202 1.00 0.00 H new ATOM 120 N ILE A 9 -0.783 -7.578 4.080 1.00 0.00 N ATOM 121 CA ILE A 9 -1.986 -8.293 4.528 1.00 0.00 C ATOM 122 C ILE A 9 -1.813 -8.923 5.925 1.00 0.00 C ATOM 123 O ILE A 9 -0.784 -8.809 6.586 1.00 0.00 O ATOM 124 CB ILE A 9 -2.427 -9.340 3.488 1.00 0.00 C ATOM 125 CG1 ILE A 9 -1.450 -10.531 3.446 1.00 0.00 C ATOM 126 CG2 ILE A 9 -2.713 -8.694 2.117 1.00 0.00 C ATOM 127 CD1 ILE A 9 -1.963 -11.642 2.540 1.00 0.00 C ATOM 0 H ILE A 9 0.058 -8.144 4.193 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.780 -7.552 4.619 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.382 -9.763 3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.476 -10.192 3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.305 -10.920 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.021 -9.464 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.509 -7.957 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.811 -8.204 1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.249 -12.466 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.925 -11.998 2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.083 -11.259 1.527 1.00 0.00 H new ATOM 139 N ARG A 10 -2.839 -9.653 6.387 1.00 0.00 N ATOM 140 CA ARG A 10 -2.768 -10.485 7.598 1.00 0.00 C ATOM 141 C ARG A 10 -2.058 -11.833 7.409 1.00 0.00 C ATOM 142 O ARG A 10 -2.190 -12.486 6.378 1.00 0.00 O ATOM 143 CB ARG A 10 -4.181 -10.704 8.172 1.00 0.00 C ATOM 144 CG ARG A 10 -5.162 -11.482 7.271 1.00 0.00 C ATOM 145 CD ARG A 10 -4.991 -13.017 7.321 1.00 0.00 C ATOM 146 NE ARG A 10 -6.225 -13.704 7.768 1.00 0.00 N ATOM 147 CZ ARG A 10 -7.325 -13.917 7.064 1.00 0.00 C ATOM 148 NH1 ARG A 10 -7.405 -13.593 5.805 1.00 0.00 N ATOM 149 NH2 ARG A 10 -8.376 -14.454 7.624 1.00 0.00 N ATOM 0 H ARG A 10 -3.749 -9.683 5.927 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.151 -9.927 8.302 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.089 -11.235 9.119 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.617 -9.730 8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.182 -11.232 7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.035 -11.147 6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.712 -13.382 6.333 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.173 -13.268 7.996 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.227 -14.052 8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.607 -13.163 5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.266 -13.769 5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.352 -14.712 8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.220 -14.615 7.075 1.00 0.00 H new ATOM 163 N GLN A 11 -1.439 -12.253 8.507 1.00 0.00 N ATOM 164 CA GLN A 11 -0.899 -13.561 8.870 1.00 0.00 C ATOM 165 C GLN A 11 -2.010 -14.338 9.615 1.00 0.00 C ATOM 166 O GLN A 11 -2.914 -13.743 10.206 1.00 0.00 O ATOM 167 CB GLN A 11 0.353 -13.284 9.732 1.00 0.00 C ATOM 168 CG GLN A 11 1.172 -14.482 10.248 1.00 0.00 C ATOM 169 CD GLN A 11 0.852 -14.861 11.690 1.00 0.00 C ATOM 170 OE1 GLN A 11 0.089 -15.774 11.953 1.00 0.00 O ATOM 171 NE2 GLN A 11 1.382 -14.173 12.677 1.00 0.00 N ATOM 0 H GLN A 11 -1.283 -11.592 9.268 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.601 -14.176 8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.023 -12.651 9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.037 -12.702 10.597 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.987 -15.342 9.605 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.234 -14.247 10.169 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.023 -13.405 12.477 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.152 -14.407 13.643 1.00 0.00 H new ATOM 180 N GLY A 12 -1.978 -15.667 9.553 1.00 0.00 N ATOM 181 CA GLY A 12 -2.902 -16.554 10.268 1.00 0.00 C ATOM 182 C GLY A 12 -3.036 -17.953 9.650 1.00 0.00 C ATOM 183 O GLY A 12 -4.038 -18.211 8.985 1.00 0.00 O ATOM 0 H GLY A 12 -1.293 -16.173 8.991 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.565 -16.656 11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.886 -16.087 10.298 1.00 0.00 H new ATOM 187 N PRO A 13 -2.071 -18.866 9.880 1.00 0.00 N ATOM 188 CA PRO A 13 -2.122 -20.287 9.500 1.00 0.00 C ATOM 189 C PRO A 13 -3.065 -21.097 10.413 1.00 0.00 C ATOM 190 O PRO A 13 -2.675 -22.102 11.011 1.00 0.00 O ATOM 191 CB PRO A 13 -0.668 -20.753 9.600 1.00 0.00 C ATOM 192 CG PRO A 13 -0.142 -19.948 10.789 1.00 0.00 C ATOM 193 CD PRO A 13 -0.888 -18.623 10.692 1.00 0.00 C ATOM 0 HA PRO A 13 -2.530 -20.435 8.500 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.597 -21.827 9.774 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.110 -20.541 8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.344 -20.452 11.734 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.937 -19.805 10.729 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.166 -18.262 11.682 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.259 -17.857 10.239 1.00 0.00 H new ATOM 201 N LYS A 14 -4.274 -20.570 10.623 1.00 0.00 N ATOM 202 CA LYS A 14 -5.290 -21.106 11.546 1.00 0.00 C ATOM 203 C LYS A 14 -6.602 -21.467 10.836 1.00 0.00 C ATOM 204 O LYS A 14 -6.726 -22.558 10.291 1.00 0.00 O ATOM 205 CB LYS A 14 -5.482 -20.127 12.715 1.00 0.00 C ATOM 206 CG LYS A 14 -4.253 -19.918 13.614 1.00 0.00 C ATOM 207 CD LYS A 14 -3.840 -21.195 14.357 1.00 0.00 C ATOM 208 CE LYS A 14 -2.752 -20.861 15.381 1.00 0.00 C ATOM 209 NZ LYS A 14 -2.363 -22.059 16.161 1.00 0.00 N ATOM 0 H LYS A 14 -4.588 -19.728 10.140 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.931 -22.052 11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.783 -19.161 12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.306 -20.484 13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.418 -19.570 13.006 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.468 -19.133 14.340 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.704 -21.632 14.858 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.472 -21.938 13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.878 -20.458 14.869 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.111 -20.085 16.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.754 -21.774 16.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.216 -22.525 16.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.845 -22.720 15.547 1.00 0.00 H new ATOM 223 N GLU A 15 -7.587 -20.565 10.848 1.00 0.00 N ATOM 224 CA GLU A 15 -8.911 -20.875 10.310 1.00 0.00 C ATOM 225 C GLU A 15 -8.961 -21.182 8.807 1.00 0.00 C ATOM 226 O GLU A 15 -9.613 -22.173 8.458 1.00 0.00 O ATOM 227 CB GLU A 15 -9.967 -19.823 10.703 1.00 0.00 C ATOM 228 CG GLU A 15 -10.139 -19.661 12.220 1.00 0.00 C ATOM 229 CD GLU A 15 -10.133 -21.024 12.919 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.934 -21.896 12.495 1.00 0.00 O ATOM 231 OE2 GLU A 15 -9.208 -21.228 13.730 1.00 0.00 O ATOM 0 H GLU A 15 -7.493 -19.621 11.222 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.166 -21.818 10.794 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.687 -18.861 10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.925 -20.101 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.336 -19.041 12.617 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.075 -19.144 12.431 1.00 0.00 H new ATOM 238 N PRO A 16 -8.299 -20.397 7.932 1.00 0.00 N ATOM 239 CA PRO A 16 -8.133 -20.757 6.535 1.00 0.00 C ATOM 240 C PRO A 16 -6.863 -21.589 6.300 1.00 0.00 C ATOM 241 O PRO A 16 -5.851 -21.415 6.978 1.00 0.00 O ATOM 242 CB PRO A 16 -7.987 -19.411 5.824 1.00 0.00 C ATOM 243 CG PRO A 16 -7.203 -18.568 6.829 1.00 0.00 C ATOM 244 CD PRO A 16 -7.703 -19.084 8.179 1.00 0.00 C ATOM 0 HA PRO A 16 -8.967 -21.362 6.180 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.453 -19.511 4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.957 -18.968 5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.127 -18.705 6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.403 -17.504 6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.882 -19.159 8.893 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.436 -18.400 8.607 1.00 0.00 H new ATOM 252 N PHE A 17 -6.890 -22.410 5.248 1.00 0.00 N ATOM 253 CA PHE A 17 -5.704 -23.061 4.698 1.00 0.00 C ATOM 254 C PHE A 17 -5.722 -22.971 3.172 1.00 0.00 C ATOM 255 O PHE A 17 -4.892 -22.243 2.655 1.00 0.00 O ATOM 256 CB PHE A 17 -5.508 -24.484 5.251 1.00 0.00 C ATOM 257 CG PHE A 17 -4.104 -24.802 5.779 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.458 -23.954 6.706 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.440 -25.976 5.368 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.153 -24.240 7.159 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.150 -26.276 5.851 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.488 -25.398 6.723 1.00 0.00 C ATOM 0 H PHE A 17 -7.749 -22.643 4.749 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.816 -22.525 5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.224 -24.643 6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.751 -25.197 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.969 -23.076 7.072 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.924 -26.651 4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.663 -23.565 7.845 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.666 -27.192 5.546 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.482 -25.610 7.054 1.00 0.00 H new ATOM 272 N ARG A 18 -6.681 -23.539 2.412 1.00 0.00 N ATOM 273 CA ARG A 18 -6.710 -23.342 0.942 1.00 0.00 C ATOM 274 C ARG A 18 -6.827 -21.847 0.582 1.00 0.00 C ATOM 275 O ARG A 18 -6.132 -21.302 -0.280 1.00 0.00 O ATOM 276 CB ARG A 18 -7.786 -24.254 0.308 1.00 0.00 C ATOM 277 CG ARG A 18 -9.278 -23.932 0.550 1.00 0.00 C ATOM 278 CD ARG A 18 -9.756 -22.710 -0.252 1.00 0.00 C ATOM 279 NE ARG A 18 -10.981 -22.955 -1.048 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.232 -22.716 -0.675 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.575 -22.322 0.517 1.00 0.00 N ATOM 282 NH2 ARG A 18 -13.200 -22.869 -1.535 1.00 0.00 N ATOM 0 H ARG A 18 -7.431 -24.125 2.778 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.762 -23.653 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.621 -24.258 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.607 -25.269 0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.882 -24.798 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.439 -23.750 1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.941 -21.886 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.957 -22.392 -0.922 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.849 -23.348 -1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.862 -22.179 1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.557 -22.156 0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.993 -23.171 -2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.164 -22.687 -1.256 1.00 0.00 H new ATOM 296 N ASP A 19 -7.692 -21.203 1.354 1.00 0.00 N ATOM 297 CA ASP A 19 -8.223 -19.833 1.320 1.00 0.00 C ATOM 298 C ASP A 19 -7.154 -18.753 1.554 1.00 0.00 C ATOM 299 O ASP A 19 -7.358 -17.566 1.292 1.00 0.00 O ATOM 300 CB ASP A 19 -9.344 -19.713 2.391 1.00 0.00 C ATOM 301 CG ASP A 19 -9.862 -21.057 2.952 1.00 0.00 C ATOM 302 OD1 ASP A 19 -9.080 -21.780 3.616 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.969 -21.471 2.547 1.00 0.00 O ATOM 0 H ASP A 19 -8.104 -21.703 2.142 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.612 -19.656 0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.970 -19.111 3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.184 -19.171 1.956 1.00 0.00 H new ATOM 308 N TYR A 20 -5.992 -19.191 2.030 1.00 0.00 N ATOM 309 CA TYR A 20 -4.862 -18.338 2.381 1.00 0.00 C ATOM 310 C TYR A 20 -3.528 -18.855 1.814 1.00 0.00 C ATOM 311 O TYR A 20 -2.700 -18.058 1.377 1.00 0.00 O ATOM 312 CB TYR A 20 -4.854 -18.140 3.902 1.00 0.00 C ATOM 313 CG TYR A 20 -3.804 -17.182 4.429 1.00 0.00 C ATOM 314 CD1 TYR A 20 -3.447 -16.023 3.704 1.00 0.00 C ATOM 315 CD2 TYR A 20 -3.172 -17.464 5.654 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.399 -15.203 4.153 1.00 0.00 C ATOM 317 CE2 TYR A 20 -2.130 -16.638 6.107 1.00 0.00 C ATOM 318 CZ TYR A 20 -1.714 -15.534 5.336 1.00 0.00 C ATOM 319 OH TYR A 20 -0.653 -14.792 5.731 1.00 0.00 O ATOM 0 H TYR A 20 -5.806 -20.181 2.187 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.982 -17.363 1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.836 -17.780 4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.707 -19.110 4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.982 -15.767 2.801 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.487 -18.312 6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.120 -14.323 3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.646 -16.850 7.049 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.959 -13.900 5.998 1.00 0.00 H new ATOM 329 N VAL A 21 -3.358 -20.172 1.692 1.00 0.00 N ATOM 330 CA VAL A 21 -2.165 -20.813 1.119 1.00 0.00 C ATOM 331 C VAL A 21 -1.903 -20.422 -0.322 1.00 0.00 C ATOM 332 O VAL A 21 -0.747 -20.158 -0.650 1.00 0.00 O ATOM 333 CB VAL A 21 -2.201 -22.343 1.281 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.126 -23.101 0.325 1.00 0.00 C ATOM 335 CG2 VAL A 21 -0.817 -22.926 1.110 1.00 0.00 C ATOM 0 H VAL A 21 -4.063 -20.844 1.996 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.324 -20.431 1.698 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.600 -22.478 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.068 -24.169 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.152 -22.759 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.818 -22.915 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.861 -24.009 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.441 -22.684 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.150 -22.506 1.863 1.00 0.00 H new ATOM 345 N ASP A 22 -2.947 -20.295 -1.153 1.00 0.00 N ATOM 346 CA ASP A 22 -2.778 -19.698 -2.485 1.00 0.00 C ATOM 347 C ASP A 22 -2.114 -18.330 -2.378 1.00 0.00 C ATOM 348 O ASP A 22 -1.008 -18.062 -2.830 1.00 0.00 O ATOM 349 CB ASP A 22 -4.172 -19.519 -3.095 1.00 0.00 C ATOM 350 CG ASP A 22 -4.201 -18.640 -4.354 1.00 0.00 C ATOM 351 OD1 ASP A 22 -3.247 -18.655 -5.154 1.00 0.00 O ATOM 352 OD2 ASP A 22 -5.084 -17.745 -4.417 1.00 0.00 O ATOM 0 H ASP A 22 -3.898 -20.591 -0.933 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.152 -20.344 -3.100 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.577 -20.500 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.831 -19.081 -2.345 1.00 0.00 H new ATOM 357 N ARG A 23 -2.870 -17.465 -1.720 1.00 0.00 N ATOM 358 CA ARG A 23 -2.616 -16.033 -1.533 1.00 0.00 C ATOM 359 C ARG A 23 -1.216 -15.748 -0.993 1.00 0.00 C ATOM 360 O ARG A 23 -0.602 -14.788 -1.455 1.00 0.00 O ATOM 361 CB ARG A 23 -3.702 -15.376 -0.642 1.00 0.00 C ATOM 362 CG ARG A 23 -5.059 -16.083 -0.565 1.00 0.00 C ATOM 363 CD ARG A 23 -5.698 -16.267 -1.933 1.00 0.00 C ATOM 364 NE ARG A 23 -6.837 -15.377 -2.138 1.00 0.00 N ATOM 365 CZ ARG A 23 -7.608 -15.399 -3.216 1.00 0.00 C ATOM 366 NH1 ARG A 23 -7.369 -16.193 -4.224 1.00 0.00 N ATOM 367 NH2 ARG A 23 -8.638 -14.611 -3.339 1.00 0.00 N ATOM 0 H ARG A 23 -3.737 -17.758 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.669 -15.580 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.305 -15.293 0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.869 -14.361 -1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.931 -17.057 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.730 -15.506 0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.953 -16.084 -2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.024 -17.301 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.052 -14.698 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.567 -16.823 -4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.984 -16.183 -5.038 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.870 -13.954 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.213 -14.651 -4.181 1.00 0.00 H new ATOM 381 N PHE A 24 -0.717 -16.571 -0.069 1.00 0.00 N ATOM 382 CA PHE A 24 0.612 -16.385 0.490 1.00 0.00 C ATOM 383 C PHE A 24 1.633 -16.791 -0.581 1.00 0.00 C ATOM 384 O PHE A 24 2.247 -15.898 -1.154 1.00 0.00 O ATOM 385 CB PHE A 24 0.755 -17.114 1.838 1.00 0.00 C ATOM 386 CG PHE A 24 2.172 -17.057 2.377 1.00 0.00 C ATOM 387 CD1 PHE A 24 3.072 -18.029 1.940 1.00 0.00 C ATOM 388 CD2 PHE A 24 2.639 -16.017 3.202 1.00 0.00 C ATOM 389 CE1 PHE A 24 4.450 -17.863 2.138 1.00 0.00 C ATOM 390 CE2 PHE A 24 4.012 -15.934 3.521 1.00 0.00 C ATOM 391 CZ PHE A 24 4.939 -16.817 2.941 1.00 0.00 C ATOM 0 H PHE A 24 -1.221 -17.375 0.306 1.00 0.00 H new ATOM 0 HA PHE A 24 0.800 -15.341 0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.075 -16.668 2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.456 -18.155 1.719 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.705 -18.916 1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.948 -15.283 3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.143 -18.546 1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.354 -15.184 4.219 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.999 -16.695 3.108 1.00 0.00 H new ATOM 401 N TYR A 25 1.738 -18.075 -0.971 1.00 0.00 N ATOM 402 CA TYR A 25 2.758 -18.519 -1.945 1.00 0.00 C ATOM 403 C TYR A 25 2.739 -17.710 -3.244 1.00 0.00 C ATOM 404 O TYR A 25 3.787 -17.224 -3.660 1.00 0.00 O ATOM 405 CB TYR A 25 2.654 -20.028 -2.250 1.00 0.00 C ATOM 406 CG TYR A 25 3.424 -21.004 -1.363 1.00 0.00 C ATOM 407 CD1 TYR A 25 4.094 -20.578 -0.206 1.00 0.00 C ATOM 408 CD2 TYR A 25 3.513 -22.357 -1.735 1.00 0.00 C ATOM 409 CE1 TYR A 25 4.828 -21.485 0.582 1.00 0.00 C ATOM 410 CE2 TYR A 25 4.224 -23.282 -0.940 1.00 0.00 C ATOM 411 CZ TYR A 25 4.877 -22.848 0.237 1.00 0.00 C ATOM 412 OH TYR A 25 5.535 -23.716 1.058 1.00 0.00 O ATOM 0 H TYR A 25 1.133 -18.822 -0.630 1.00 0.00 H new ATOM 0 HA TYR A 25 3.717 -18.333 -1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.600 -20.303 -2.209 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.984 -20.182 -3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.046 -19.539 0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.031 -22.693 -2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.356 -21.133 1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.269 -24.321 -1.231 1.00 0.00 H new ATOM 0 HH TYR A 25 5.386 -23.460 1.992 1.00 0.00 H new ATOM 422 N LYS A 26 1.565 -17.476 -3.839 1.00 0.00 N ATOM 423 CA LYS A 26 1.409 -16.703 -5.079 1.00 0.00 C ATOM 424 C LYS A 26 1.891 -15.250 -4.975 1.00 0.00 C ATOM 425 O LYS A 26 2.418 -14.725 -5.953 1.00 0.00 O ATOM 426 CB LYS A 26 -0.052 -16.831 -5.527 1.00 0.00 C ATOM 427 CG LYS A 26 -0.455 -15.901 -6.682 1.00 0.00 C ATOM 428 CD LYS A 26 -1.110 -14.629 -6.111 1.00 0.00 C ATOM 429 CE LYS A 26 -2.646 -14.767 -6.037 1.00 0.00 C ATOM 430 NZ LYS A 26 -3.082 -16.017 -5.365 1.00 0.00 N ATOM 0 H LYS A 26 0.681 -17.823 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 26 2.066 -17.119 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.236 -17.862 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.698 -16.628 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.422 -15.637 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.149 -16.412 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.713 -14.430 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.850 -13.774 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.057 -13.911 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.057 -14.740 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.110 -15.986 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.848 -16.834 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.594 -16.108 -4.451 1.00 0.00 H new ATOM 444 N THR A 27 1.733 -14.577 -3.831 1.00 0.00 N ATOM 445 CA THR A 27 2.265 -13.205 -3.681 1.00 0.00 C ATOM 446 C THR A 27 3.737 -13.249 -3.322 1.00 0.00 C ATOM 447 O THR A 27 4.561 -12.649 -4.013 1.00 0.00 O ATOM 448 CB THR A 27 1.497 -12.347 -2.661 1.00 0.00 C ATOM 449 OG1 THR A 27 1.388 -12.939 -1.393 1.00 0.00 O ATOM 450 CG2 THR A 27 0.080 -12.041 -3.146 1.00 0.00 C ATOM 0 H THR A 27 1.254 -14.943 -3.008 1.00 0.00 H new ATOM 0 HA THR A 27 2.129 -12.722 -4.649 1.00 0.00 H new ATOM 0 HB THR A 27 2.088 -11.436 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.763 -13.692 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.436 -11.433 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.128 -11.497 -4.089 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.464 -12.974 -3.292 1.00 0.00 H new ATOM 458 N LEU A 28 4.051 -14.080 -2.335 1.00 0.00 N ATOM 459 CA LEU A 28 5.388 -14.359 -1.806 1.00 0.00 C ATOM 460 C LEU A 28 6.427 -14.645 -2.904 1.00 0.00 C ATOM 461 O LEU A 28 7.496 -14.045 -2.891 1.00 0.00 O ATOM 462 CB LEU A 28 5.258 -15.499 -0.776 1.00 0.00 C ATOM 463 CG LEU A 28 6.563 -16.038 -0.186 1.00 0.00 C ATOM 464 CD1 LEU A 28 7.173 -17.151 -1.040 1.00 0.00 C ATOM 465 CD2 LEU A 28 7.597 -14.985 0.177 1.00 0.00 C ATOM 0 H LEU A 28 3.332 -14.615 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 28 5.778 -13.469 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.632 -15.148 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.729 -16.327 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 28 6.257 -16.468 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.097 -17.499 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.469 -17.980 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.388 -16.768 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.483 -15.471 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.871 -14.422 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.179 -14.306 0.921 1.00 0.00 H new ATOM 477 N ARG A 29 6.088 -15.490 -3.894 1.00 0.00 N ATOM 478 CA ARG A 29 6.985 -16.130 -4.899 1.00 0.00 C ATOM 479 C ARG A 29 7.956 -15.310 -5.786 1.00 0.00 C ATOM 480 O ARG A 29 8.361 -15.803 -6.836 1.00 0.00 O ATOM 481 CB ARG A 29 6.228 -17.220 -5.694 1.00 0.00 C ATOM 482 CG ARG A 29 5.046 -16.807 -6.593 1.00 0.00 C ATOM 483 CD ARG A 29 5.258 -15.636 -7.561 1.00 0.00 C ATOM 484 NE ARG A 29 5.173 -14.335 -6.868 1.00 0.00 N ATOM 485 CZ ARG A 29 5.471 -13.150 -7.357 1.00 0.00 C ATOM 486 NH1 ARG A 29 5.893 -13.012 -8.582 1.00 0.00 N ATOM 487 NH2 ARG A 29 5.373 -12.084 -6.620 1.00 0.00 N ATOM 0 H ARG A 29 5.116 -15.769 -4.031 1.00 0.00 H new ATOM 0 HA ARG A 29 7.739 -16.542 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.956 -17.733 -6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.855 -17.951 -4.976 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.752 -17.677 -7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.204 -16.559 -5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.233 -15.731 -8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.509 -15.677 -8.352 1.00 0.00 H new ATOM 0 HE ARG A 29 4.847 -14.357 -5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.998 -13.831 -9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.119 -12.085 -8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.062 -12.160 -5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.607 -11.171 -7.010 1.00 0.00 H new ATOM 501 N ALA A 30 8.321 -14.080 -5.436 1.00 0.00 N ATOM 502 CA ALA A 30 9.433 -13.328 -6.041 1.00 0.00 C ATOM 503 C ALA A 30 10.583 -13.083 -5.040 1.00 0.00 C ATOM 504 O ALA A 30 11.677 -12.693 -5.442 1.00 0.00 O ATOM 505 CB ALA A 30 8.914 -12.013 -6.633 1.00 0.00 C ATOM 0 H ALA A 30 7.842 -13.557 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 30 9.851 -13.933 -6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.743 -11.463 -7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.168 -12.228 -7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.462 -11.412 -5.844 1.00 0.00 H new ATOM 511 N GLU A 31 10.356 -13.398 -3.765 1.00 0.00 N ATOM 512 CA GLU A 31 11.338 -13.454 -2.682 1.00 0.00 C ATOM 513 C GLU A 31 11.062 -14.733 -1.861 1.00 0.00 C ATOM 514 O GLU A 31 10.097 -15.430 -2.172 1.00 0.00 O ATOM 515 CB GLU A 31 11.202 -12.222 -1.779 1.00 0.00 C ATOM 516 CG GLU A 31 11.132 -10.860 -2.483 1.00 0.00 C ATOM 517 CD GLU A 31 11.102 -9.716 -1.459 1.00 0.00 C ATOM 518 OE1 GLU A 31 10.403 -9.870 -0.427 1.00 0.00 O ATOM 519 OE2 GLU A 31 11.785 -8.698 -1.708 1.00 0.00 O ATOM 0 H GLU A 31 9.419 -13.637 -3.440 1.00 0.00 H new ATOM 0 HA GLU A 31 12.348 -13.469 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.303 -12.340 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.048 -12.208 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.992 -10.742 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.242 -10.816 -3.110 1.00 0.00 H new ATOM 526 N GLN A 32 11.874 -15.050 -0.833 1.00 0.00 N ATOM 527 CA GLN A 32 11.647 -16.108 0.189 1.00 0.00 C ATOM 528 C GLN A 32 10.929 -17.406 -0.312 1.00 0.00 C ATOM 529 O GLN A 32 10.160 -18.052 0.397 1.00 0.00 O ATOM 530 CB GLN A 32 11.048 -15.496 1.493 1.00 0.00 C ATOM 531 CG GLN A 32 10.633 -14.004 1.531 1.00 0.00 C ATOM 532 CD GLN A 32 11.805 -13.018 1.552 1.00 0.00 C ATOM 533 OE1 GLN A 32 12.966 -13.390 1.662 1.00 0.00 O ATOM 534 NE2 GLN A 32 11.569 -11.735 1.389 1.00 0.00 N ATOM 0 H GLN A 32 12.752 -14.554 -0.679 1.00 0.00 H new ATOM 0 HA GLN A 32 12.634 -16.500 0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.167 -16.084 1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.778 -15.649 2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.011 -13.791 0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.016 -13.834 2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.610 -11.401 1.295 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.345 -11.074 1.357 1.00 0.00 H new ATOM 543 N ALA A 33 11.217 -17.793 -1.563 1.00 0.00 N ATOM 544 CA ALA A 33 10.485 -18.752 -2.404 1.00 0.00 C ATOM 545 C ALA A 33 10.560 -20.253 -2.030 1.00 0.00 C ATOM 546 O ALA A 33 10.636 -21.118 -2.905 1.00 0.00 O ATOM 547 CB ALA A 33 10.887 -18.460 -3.862 1.00 0.00 C ATOM 0 H ALA A 33 12.029 -17.415 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 33 9.422 -18.584 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.367 -19.149 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.615 -17.436 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.963 -18.588 -3.975 1.00 0.00 H new ATOM 553 N SER A 34 10.519 -20.572 -0.735 1.00 0.00 N ATOM 554 CA SER A 34 10.566 -21.911 -0.113 1.00 0.00 C ATOM 555 C SER A 34 9.328 -22.798 -0.401 1.00 0.00 C ATOM 556 O SER A 34 8.794 -23.434 0.501 1.00 0.00 O ATOM 557 CB SER A 34 10.764 -21.750 1.406 1.00 0.00 C ATOM 558 OG SER A 34 11.666 -20.700 1.709 1.00 0.00 O ATOM 0 H SER A 34 10.446 -19.841 -0.027 1.00 0.00 H new ATOM 0 HA SER A 34 11.406 -22.436 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.802 -21.551 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.139 -22.684 1.825 1.00 0.00 H new ATOM 0 HG SER A 34 11.394 -20.266 2.545 1.00 0.00 H new ATOM 564 N GLN A 35 8.832 -22.812 -1.645 1.00 0.00 N ATOM 565 CA GLN A 35 7.574 -23.434 -2.112 1.00 0.00 C ATOM 566 C GLN A 35 7.494 -24.973 -1.940 1.00 0.00 C ATOM 567 O GLN A 35 6.431 -25.583 -2.080 1.00 0.00 O ATOM 568 CB GLN A 35 7.393 -23.007 -3.587 1.00 0.00 C ATOM 569 CG GLN A 35 6.005 -23.266 -4.208 1.00 0.00 C ATOM 570 CD GLN A 35 5.994 -24.380 -5.252 1.00 0.00 C ATOM 571 OE1 GLN A 35 6.024 -24.151 -6.448 1.00 0.00 O ATOM 572 NE2 GLN A 35 5.944 -25.629 -4.840 1.00 0.00 N ATOM 0 H GLN A 35 9.331 -22.358 -2.410 1.00 0.00 H new ATOM 0 HA GLN A 35 6.758 -23.080 -1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.609 -21.941 -3.664 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.139 -23.527 -4.188 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.303 -23.519 -3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.646 -22.346 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.918 -25.836 -3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.931 -26.390 -5.519 1.00 0.00 H new ATOM 581 N GLU A 36 8.644 -25.596 -1.701 1.00 0.00 N ATOM 582 CA GLU A 36 8.921 -27.024 -1.498 1.00 0.00 C ATOM 583 C GLU A 36 8.566 -27.505 -0.069 1.00 0.00 C ATOM 584 O GLU A 36 8.146 -26.742 0.794 1.00 0.00 O ATOM 585 CB GLU A 36 10.435 -27.163 -1.769 1.00 0.00 C ATOM 586 CG GLU A 36 10.943 -28.591 -2.021 1.00 0.00 C ATOM 587 CD GLU A 36 12.469 -28.715 -2.071 1.00 0.00 C ATOM 588 OE1 GLU A 36 13.158 -27.711 -1.789 1.00 0.00 O ATOM 589 OE2 GLU A 36 12.950 -29.865 -2.163 1.00 0.00 O ATOM 0 H GLU A 36 9.506 -25.054 -1.637 1.00 0.00 H new ATOM 0 HA GLU A 36 8.312 -27.643 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.687 -26.550 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.976 -26.750 -0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.562 -29.244 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.529 -28.951 -2.963 1.00 0.00 H new ATOM 596 N VAL A 37 8.789 -28.793 0.213 1.00 0.00 N ATOM 597 CA VAL A 37 8.796 -29.389 1.569 1.00 0.00 C ATOM 598 C VAL A 37 9.739 -28.662 2.539 1.00 0.00 C ATOM 599 O VAL A 37 9.563 -28.707 3.750 1.00 0.00 O ATOM 600 CB VAL A 37 9.151 -30.885 1.482 1.00 0.00 C ATOM 601 CG1 VAL A 37 10.646 -31.208 1.337 1.00 0.00 C ATOM 602 CG2 VAL A 37 8.595 -31.656 2.678 1.00 0.00 C ATOM 0 H VAL A 37 8.977 -29.480 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 37 7.791 -29.275 1.976 1.00 0.00 H new ATOM 0 HB VAL A 37 8.679 -31.205 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.781 -32.288 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.031 -30.750 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.188 -30.815 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.862 -32.709 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.016 -31.252 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.510 -31.558 2.702 1.00 0.00 H new ATOM 612 N LYS A 38 10.715 -27.934 1.984 1.00 0.00 N ATOM 613 CA LYS A 38 11.597 -26.952 2.665 1.00 0.00 C ATOM 614 C LYS A 38 10.840 -25.703 3.208 1.00 0.00 C ATOM 615 O LYS A 38 11.456 -24.675 3.454 1.00 0.00 O ATOM 616 CB LYS A 38 12.747 -26.540 1.711 1.00 0.00 C ATOM 617 CG LYS A 38 13.914 -27.530 1.534 1.00 0.00 C ATOM 618 CD LYS A 38 13.545 -28.966 1.131 1.00 0.00 C ATOM 619 CE LYS A 38 14.571 -29.612 0.189 1.00 0.00 C ATOM 620 NZ LYS A 38 15.935 -29.673 0.750 1.00 0.00 N ATOM 0 H LYS A 38 10.931 -28.012 0.990 1.00 0.00 H new ATOM 0 HA LYS A 38 12.007 -27.445 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.316 -26.349 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.158 -25.596 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.590 -27.128 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.470 -27.572 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.452 -29.576 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.569 -28.961 0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.242 -30.622 -0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.597 -29.051 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.574 -30.120 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.269 -28.710 0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.925 -30.232 1.627 1.00 0.00 H new ATOM 634 N ASN A 39 9.523 -25.795 3.392 1.00 0.00 N ATOM 635 CA ASN A 39 8.570 -24.787 3.876 1.00 0.00 C ATOM 636 C ASN A 39 8.871 -24.141 5.256 1.00 0.00 C ATOM 637 O ASN A 39 8.294 -23.104 5.585 1.00 0.00 O ATOM 638 CB ASN A 39 7.218 -25.526 3.835 1.00 0.00 C ATOM 639 CG ASN A 39 6.082 -24.809 4.521 1.00 0.00 C ATOM 640 OD1 ASN A 39 5.619 -23.751 3.921 1.00 0.00 O flip ATOM 641 ND2 ASN A 39 5.545 -25.242 5.525 1.00 0.00 N flip ATOM 0 H ASN A 39 9.043 -26.671 3.184 1.00 0.00 H new ATOM 0 HA ASN A 39 8.611 -23.899 3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.945 -25.696 2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.342 -26.506 4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.918 -26.072 5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.722 -24.774 5.905 1.00 0.00 H new ATOM 648 N ALA A 40 9.775 -24.735 6.031 1.00 0.00 N ATOM 649 CA ALA A 40 10.283 -24.212 7.298 1.00 0.00 C ATOM 650 C ALA A 40 11.079 -22.892 7.163 1.00 0.00 C ATOM 651 O ALA A 40 11.411 -22.444 6.065 1.00 0.00 O ATOM 652 CB ALA A 40 11.178 -25.312 7.887 1.00 0.00 C ATOM 0 H ALA A 40 10.192 -25.632 5.783 1.00 0.00 H new ATOM 0 HA ALA A 40 9.438 -23.963 7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.588 -24.976 8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.589 -26.215 8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.993 -25.526 7.196 1.00 0.00 H new ATOM 658 N MET A 41 11.473 -22.314 8.303 1.00 0.00 N ATOM 659 CA MET A 41 12.428 -21.193 8.474 1.00 0.00 C ATOM 660 C MET A 41 12.046 -19.813 7.892 1.00 0.00 C ATOM 661 O MET A 41 12.495 -18.801 8.432 1.00 0.00 O ATOM 662 CB MET A 41 13.831 -21.594 7.975 1.00 0.00 C ATOM 663 CG MET A 41 14.390 -22.852 8.657 1.00 0.00 C ATOM 664 SD MET A 41 16.020 -23.393 8.061 1.00 0.00 S ATOM 665 CE MET A 41 17.071 -22.031 8.631 1.00 0.00 C ATOM 0 H MET A 41 11.111 -22.635 9.201 1.00 0.00 H new ATOM 0 HA MET A 41 12.404 -21.030 9.551 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.790 -21.762 6.899 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.518 -20.764 8.142 1.00 0.00 H new ATOM 0 HG2 MET A 41 14.456 -22.666 9.729 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.680 -23.668 8.518 1.00 0.00 H new ATOM 0 HE1 MET A 41 18.118 -22.286 8.466 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.826 -21.125 8.076 1.00 0.00 H new ATOM 0 HE3 MET A 41 16.902 -21.862 9.694 1.00 0.00 H new ATOM 675 N THR A 42 11.231 -19.737 6.838 1.00 0.00 N ATOM 676 CA THR A 42 10.631 -18.490 6.326 1.00 0.00 C ATOM 677 C THR A 42 9.271 -18.201 6.961 1.00 0.00 C ATOM 678 O THR A 42 8.649 -19.018 7.637 1.00 0.00 O ATOM 679 CB THR A 42 10.496 -18.459 4.770 1.00 0.00 C ATOM 680 OG1 THR A 42 10.628 -19.724 4.162 1.00 0.00 O ATOM 681 CG2 THR A 42 11.644 -17.654 4.175 1.00 0.00 C ATOM 0 H THR A 42 10.959 -20.559 6.299 1.00 0.00 H new ATOM 0 HA THR A 42 11.332 -17.707 6.614 1.00 0.00 H new ATOM 0 HB THR A 42 9.504 -18.046 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.837 -20.267 4.362 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.549 -17.633 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.613 -16.635 4.562 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.592 -18.117 4.447 1.00 0.00 H new ATOM 689 N GLU A 43 8.775 -17.004 6.660 1.00 0.00 N ATOM 690 CA GLU A 43 7.397 -16.556 6.887 1.00 0.00 C ATOM 691 C GLU A 43 6.326 -17.426 6.205 1.00 0.00 C ATOM 692 O GLU A 43 5.144 -17.169 6.350 1.00 0.00 O ATOM 693 CB GLU A 43 7.278 -15.131 6.341 1.00 0.00 C ATOM 694 CG GLU A 43 7.869 -14.951 4.931 1.00 0.00 C ATOM 695 CD GLU A 43 7.203 -13.782 4.202 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.051 -12.717 4.841 1.00 0.00 O ATOM 697 OE2 GLU A 43 6.816 -13.992 3.035 1.00 0.00 O ATOM 0 H GLU A 43 9.350 -16.280 6.229 1.00 0.00 H new ATOM 0 HA GLU A 43 7.211 -16.624 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.226 -14.846 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.781 -14.447 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.942 -14.775 5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.733 -15.867 4.356 1.00 0.00 H new ATOM 704 N THR A 44 6.751 -18.414 5.427 1.00 0.00 N ATOM 705 CA THR A 44 6.055 -19.464 4.685 1.00 0.00 C ATOM 706 C THR A 44 5.100 -20.338 5.491 1.00 0.00 C ATOM 707 O THR A 44 5.222 -21.552 5.512 1.00 0.00 O ATOM 708 CB THR A 44 7.109 -20.263 3.908 1.00 0.00 C ATOM 709 OG1 THR A 44 8.209 -20.587 4.721 1.00 0.00 O ATOM 710 CG2 THR A 44 7.647 -19.455 2.721 1.00 0.00 C ATOM 0 H THR A 44 7.755 -18.512 5.279 1.00 0.00 H new ATOM 0 HA THR A 44 5.360 -18.978 4.000 1.00 0.00 H new ATOM 0 HB THR A 44 6.613 -21.170 3.563 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.088 -21.486 5.092 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.392 -20.045 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.827 -19.210 2.046 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.105 -18.535 3.085 1.00 0.00 H new ATOM 718 N LEU A 45 4.089 -19.720 6.099 1.00 0.00 N ATOM 719 CA LEU A 45 3.119 -20.310 7.033 1.00 0.00 C ATOM 720 C LEU A 45 2.402 -21.609 6.573 1.00 0.00 C ATOM 721 O LEU A 45 1.718 -22.222 7.386 1.00 0.00 O ATOM 722 CB LEU A 45 2.039 -19.259 7.400 1.00 0.00 C ATOM 723 CG LEU A 45 2.370 -17.759 7.385 1.00 0.00 C ATOM 724 CD1 LEU A 45 1.086 -16.949 7.415 1.00 0.00 C ATOM 725 CD2 LEU A 45 3.245 -17.363 8.576 1.00 0.00 C ATOM 0 H LEU A 45 3.910 -18.728 5.945 1.00 0.00 H new ATOM 0 HA LEU A 45 3.730 -20.608 7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.200 -19.410 6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.684 -19.500 8.402 1.00 0.00 H new ATOM 0 HG LEU A 45 2.924 -17.550 6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.326 -15.886 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.481 -17.193 6.542 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.528 -17.186 8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.458 -16.295 8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.721 -17.590 9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.180 -17.922 8.542 1.00 0.00 H new ATOM 737 N LEU A 46 2.449 -21.967 5.282 1.00 0.00 N ATOM 738 CA LEU A 46 1.673 -23.031 4.626 1.00 0.00 C ATOM 739 C LEU A 46 2.166 -23.323 3.186 1.00 0.00 C ATOM 740 O LEU A 46 3.000 -22.584 2.670 1.00 0.00 O ATOM 741 CB LEU A 46 0.157 -22.722 4.703 1.00 0.00 C ATOM 742 CG LEU A 46 -0.411 -21.313 4.379 1.00 0.00 C ATOM 743 CD1 LEU A 46 -1.144 -20.731 5.587 1.00 0.00 C ATOM 744 CD2 LEU A 46 0.514 -20.247 3.764 1.00 0.00 C ATOM 0 H LEU A 46 3.069 -21.492 4.626 1.00 0.00 H new ATOM 0 HA LEU A 46 1.841 -23.958 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.342 -23.424 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.163 -22.965 5.716 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.083 -21.542 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.533 -19.744 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.970 -21.387 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.453 -20.646 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.047 -19.326 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.345 -20.052 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.900 -20.607 2.810 1.00 0.00 H new ATOM 756 N VAL A 47 1.651 -24.390 2.538 1.00 0.00 N ATOM 757 CA VAL A 47 2.133 -24.984 1.270 1.00 0.00 C ATOM 758 C VAL A 47 0.999 -25.338 0.294 1.00 0.00 C ATOM 759 O VAL A 47 0.107 -26.131 0.604 1.00 0.00 O ATOM 760 CB VAL A 47 2.920 -26.293 1.527 1.00 0.00 C ATOM 761 CG1 VAL A 47 3.651 -26.811 0.286 1.00 0.00 C ATOM 762 CG2 VAL A 47 3.986 -26.178 2.607 1.00 0.00 C ATOM 0 H VAL A 47 0.841 -24.889 2.906 1.00 0.00 H new ATOM 0 HA VAL A 47 2.766 -24.215 0.828 1.00 0.00 H new ATOM 0 HB VAL A 47 2.132 -26.978 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.182 -27.730 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.928 -27.012 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.364 -26.061 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.490 -27.137 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.714 -25.419 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.519 -25.895 3.551 1.00 0.00 H new ATOM 772 N GLN A 48 1.077 -24.820 -0.938 1.00 0.00 N ATOM 773 CA GLN A 48 0.171 -25.143 -2.053 1.00 0.00 C ATOM 774 C GLN A 48 -0.235 -26.616 -2.169 1.00 0.00 C ATOM 775 O GLN A 48 -1.389 -26.890 -2.474 1.00 0.00 O ATOM 776 CB GLN A 48 0.817 -24.711 -3.379 1.00 0.00 C ATOM 777 CG GLN A 48 0.560 -23.231 -3.671 1.00 0.00 C ATOM 778 CD GLN A 48 1.268 -22.740 -4.935 1.00 0.00 C ATOM 779 OE1 GLN A 48 1.874 -21.686 -4.950 1.00 0.00 O ATOM 780 NE2 GLN A 48 1.255 -23.458 -6.036 1.00 0.00 N ATOM 0 H GLN A 48 1.794 -24.143 -1.197 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.746 -24.595 -1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.891 -24.894 -3.339 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.421 -25.318 -4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.513 -23.068 -3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.892 -22.635 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.756 -24.348 -6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.744 -23.126 -6.867 1.00 0.00 H new ATOM 789 N ASN A 49 0.676 -27.560 -1.913 1.00 0.00 N ATOM 790 CA ASN A 49 0.428 -28.993 -2.054 1.00 0.00 C ATOM 791 C ASN A 49 -0.373 -29.631 -0.888 1.00 0.00 C ATOM 792 O ASN A 49 -0.141 -30.786 -0.534 1.00 0.00 O ATOM 793 CB ASN A 49 1.757 -29.698 -2.380 1.00 0.00 C ATOM 794 CG ASN A 49 1.522 -30.847 -3.328 1.00 0.00 C ATOM 795 OD1 ASN A 49 1.747 -30.769 -4.521 1.00 0.00 O ATOM 796 ND2 ASN A 49 0.990 -31.914 -2.817 1.00 0.00 N ATOM 0 H ASN A 49 1.621 -27.343 -1.597 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.253 -29.140 -2.892 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.454 -28.987 -2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.217 -30.064 -1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.754 -32.704 -3.418 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.808 -31.963 -1.815 1.00 0.00 H new ATOM 803 N ALA A 50 -1.275 -28.870 -0.262 1.00 0.00 N ATOM 804 CA ALA A 50 -2.295 -29.378 0.656 1.00 0.00 C ATOM 805 C ALA A 50 -3.161 -30.512 0.036 1.00 0.00 C ATOM 806 O ALA A 50 -3.124 -30.789 -1.160 1.00 0.00 O ATOM 807 CB ALA A 50 -3.161 -28.186 1.090 1.00 0.00 C ATOM 0 H ALA A 50 -1.316 -27.858 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.805 -29.834 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.934 -28.529 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.536 -27.445 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.628 -27.737 0.213 1.00 0.00 H new ATOM 813 N ASN A 51 -4.007 -31.140 0.856 1.00 0.00 N ATOM 814 CA ASN A 51 -4.835 -32.308 0.525 1.00 0.00 C ATOM 815 C ASN A 51 -6.076 -32.230 1.457 1.00 0.00 C ATOM 816 O ASN A 51 -6.021 -31.422 2.397 1.00 0.00 O ATOM 817 CB ASN A 51 -3.947 -33.562 0.680 1.00 0.00 C ATOM 818 CG ASN A 51 -4.402 -34.743 -0.152 1.00 0.00 C ATOM 819 OD1 ASN A 51 -4.899 -34.601 -1.252 1.00 0.00 O ATOM 820 ND2 ASN A 51 -4.314 -35.944 0.357 1.00 0.00 N ATOM 0 H ASN A 51 -4.142 -30.834 1.819 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.211 -32.345 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.924 -33.307 0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.929 -33.855 1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.660 -36.747 -0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.899 -36.078 1.279 1.00 0.00 H new ATOM 827 N PRO A 52 -7.203 -32.962 1.274 1.00 0.00 N ATOM 828 CA PRO A 52 -8.440 -32.630 1.986 1.00 0.00 C ATOM 829 C PRO A 52 -8.325 -32.678 3.514 1.00 0.00 C ATOM 830 O PRO A 52 -8.785 -31.749 4.195 1.00 0.00 O ATOM 831 CB PRO A 52 -9.531 -33.557 1.438 1.00 0.00 C ATOM 832 CG PRO A 52 -8.760 -34.739 0.866 1.00 0.00 C ATOM 833 CD PRO A 52 -7.424 -34.133 0.438 1.00 0.00 C ATOM 0 HA PRO A 52 -8.691 -31.586 1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.218 -33.872 2.223 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.127 -33.062 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.623 -35.524 1.610 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.284 -35.187 0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.616 -34.854 0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.446 -33.856 -0.616 1.00 0.00 H new ATOM 841 N ASP A 53 -7.665 -33.704 4.038 1.00 0.00 N ATOM 842 CA ASP A 53 -7.672 -33.931 5.479 1.00 0.00 C ATOM 843 C ASP A 53 -6.681 -33.012 6.190 1.00 0.00 C ATOM 844 O ASP A 53 -6.982 -32.560 7.283 1.00 0.00 O ATOM 845 CB ASP A 53 -7.486 -35.421 5.797 1.00 0.00 C ATOM 846 CG ASP A 53 -8.624 -36.275 5.219 1.00 0.00 C ATOM 847 OD1 ASP A 53 -9.670 -35.681 4.865 1.00 0.00 O ATOM 848 OD2 ASP A 53 -8.405 -37.497 5.081 1.00 0.00 O ATOM 0 H ASP A 53 -7.127 -34.382 3.498 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.650 -33.662 5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.534 -35.763 5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.441 -35.559 6.877 1.00 0.00 H new ATOM 853 N CYS A 54 -5.584 -32.596 5.547 1.00 0.00 N ATOM 854 CA CYS A 54 -4.662 -31.577 6.065 1.00 0.00 C ATOM 855 C CYS A 54 -5.435 -30.329 6.541 1.00 0.00 C ATOM 856 O CYS A 54 -5.361 -29.935 7.701 1.00 0.00 O ATOM 857 CB CYS A 54 -3.598 -31.316 4.974 1.00 0.00 C ATOM 858 SG CYS A 54 -3.172 -29.573 4.716 1.00 0.00 S ATOM 0 H CYS A 54 -5.307 -32.964 4.637 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.137 -31.915 6.959 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.691 -31.861 5.236 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.957 -31.729 4.032 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.604 -29.432 3.555 1.00 0.00 H new ATOM 864 N LYS A 55 -6.310 -29.789 5.696 1.00 0.00 N ATOM 865 CA LYS A 55 -7.241 -28.710 6.088 1.00 0.00 C ATOM 866 C LYS A 55 -8.028 -29.093 7.344 1.00 0.00 C ATOM 867 O LYS A 55 -7.980 -28.402 8.353 1.00 0.00 O ATOM 868 CB LYS A 55 -8.245 -28.461 4.974 1.00 0.00 C ATOM 869 CG LYS A 55 -7.620 -27.951 3.669 1.00 0.00 C ATOM 870 CD LYS A 55 -8.092 -28.733 2.429 1.00 0.00 C ATOM 871 CE LYS A 55 -9.632 -28.748 2.263 1.00 0.00 C ATOM 872 NZ LYS A 55 -10.298 -29.961 2.825 1.00 0.00 N ATOM 0 H LYS A 55 -6.401 -30.079 4.722 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.646 -27.818 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.781 -29.388 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.982 -27.736 5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.867 -26.897 3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.535 -28.018 3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.642 -28.294 1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.731 -29.759 2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.047 -27.863 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.872 -28.674 1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.718 -30.516 2.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.596 -30.542 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.044 -29.671 3.489 1.00 0.00 H new ATOM 886 N THR A 56 -8.746 -30.216 7.258 1.00 0.00 N ATOM 887 CA THR A 56 -9.638 -30.736 8.313 1.00 0.00 C ATOM 888 C THR A 56 -8.921 -30.985 9.647 1.00 0.00 C ATOM 889 O THR A 56 -9.537 -30.886 10.703 1.00 0.00 O ATOM 890 CB THR A 56 -10.295 -32.039 7.821 1.00 0.00 C ATOM 891 OG1 THR A 56 -10.802 -31.849 6.513 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.476 -32.498 8.672 1.00 0.00 C ATOM 0 H THR A 56 -8.726 -30.811 6.430 1.00 0.00 H new ATOM 0 HA THR A 56 -10.390 -29.971 8.505 1.00 0.00 H new ATOM 0 HB THR A 56 -9.511 -32.794 7.873 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.218 -32.679 6.200 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.884 -33.421 8.261 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.141 -32.673 9.695 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.247 -31.728 8.669 1.00 0.00 H new ATOM 900 N ILE A 57 -7.619 -31.268 9.588 1.00 0.00 N ATOM 901 CA ILE A 57 -6.784 -31.694 10.720 1.00 0.00 C ATOM 902 C ILE A 57 -6.080 -30.499 11.332 1.00 0.00 C ATOM 903 O ILE A 57 -6.361 -30.186 12.481 1.00 0.00 O ATOM 904 CB ILE A 57 -5.751 -32.760 10.296 1.00 0.00 C ATOM 905 CG1 ILE A 57 -6.457 -34.087 9.961 1.00 0.00 C ATOM 906 CG2 ILE A 57 -4.692 -33.017 11.393 1.00 0.00 C ATOM 907 CD1 ILE A 57 -5.570 -34.936 9.052 1.00 0.00 C ATOM 0 H ILE A 57 -7.093 -31.205 8.716 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.441 -32.144 11.465 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.242 -32.372 9.414 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.679 -34.632 10.878 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.410 -33.888 9.470 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.988 -33.774 11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.156 -32.092 11.605 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.185 -33.366 12.300 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.077 -35.873 8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.371 -34.393 8.128 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.628 -35.149 9.558 1.00 0.00 H new ATOM 919 N LEU A 58 -5.175 -29.818 10.610 1.00 0.00 N ATOM 920 CA LEU A 58 -4.372 -28.722 11.153 1.00 0.00 C ATOM 921 C LEU A 58 -5.223 -27.578 11.691 1.00 0.00 C ATOM 922 O LEU A 58 -4.799 -26.886 12.616 1.00 0.00 O ATOM 923 CB LEU A 58 -3.401 -28.186 10.093 1.00 0.00 C ATOM 924 CG LEU A 58 -2.318 -29.208 9.738 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.699 -30.206 8.664 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.073 -28.489 9.221 1.00 0.00 C ATOM 0 H LEU A 58 -4.983 -30.017 9.628 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.812 -29.137 11.991 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.957 -27.920 9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.932 -27.273 10.460 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.154 -29.754 10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.865 -30.885 8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.569 -30.777 8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.938 -29.675 7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.307 -29.223 8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.328 -27.913 8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.694 -27.818 9.992 1.00 0.00 H new ATOM 938 N LYS A 59 -6.447 -27.449 11.176 1.00 0.00 N ATOM 939 CA LYS A 59 -7.463 -26.576 11.794 1.00 0.00 C ATOM 940 C LYS A 59 -7.669 -26.784 13.310 1.00 0.00 C ATOM 941 O LYS A 59 -8.025 -25.846 14.013 1.00 0.00 O ATOM 942 CB LYS A 59 -8.798 -26.706 11.065 1.00 0.00 C ATOM 943 CG LYS A 59 -8.801 -25.797 9.828 1.00 0.00 C ATOM 944 CD LYS A 59 -10.193 -25.654 9.190 1.00 0.00 C ATOM 945 CE LYS A 59 -11.241 -25.012 10.117 1.00 0.00 C ATOM 946 NZ LYS A 59 -10.791 -23.680 10.568 1.00 0.00 N ATOM 0 H LYS A 59 -6.764 -27.933 10.336 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.066 -25.566 11.688 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.962 -27.742 10.768 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.616 -26.432 11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.433 -24.810 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.108 -26.197 9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.107 -25.054 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.546 -26.640 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.192 -24.922 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.413 -25.655 10.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.569 -23.200 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.982 -23.787 11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.504 -23.113 9.745 1.00 0.00 H new ATOM 960 N ALA A 60 -7.392 -27.987 13.806 1.00 0.00 N ATOM 961 CA ALA A 60 -7.326 -28.352 15.227 1.00 0.00 C ATOM 962 C ALA A 60 -5.934 -28.873 15.677 1.00 0.00 C ATOM 963 O ALA A 60 -5.761 -29.254 16.835 1.00 0.00 O ATOM 964 CB ALA A 60 -8.443 -29.368 15.500 1.00 0.00 C ATOM 0 H ALA A 60 -7.196 -28.781 13.197 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.474 -27.454 15.826 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.421 -29.660 16.550 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.409 -28.918 15.269 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.294 -30.249 14.875 1.00 0.00 H new ATOM 970 N LEU A 61 -4.929 -28.881 14.786 1.00 0.00 N ATOM 971 CA LEU A 61 -3.609 -29.488 14.988 1.00 0.00 C ATOM 972 C LEU A 61 -2.438 -28.647 14.424 1.00 0.00 C ATOM 973 O LEU A 61 -1.408 -29.159 13.994 1.00 0.00 O ATOM 974 CB LEU A 61 -3.668 -30.919 14.424 1.00 0.00 C ATOM 975 CG LEU A 61 -3.441 -32.007 15.491 1.00 0.00 C ATOM 976 CD1 LEU A 61 -3.680 -33.394 14.896 1.00 0.00 C ATOM 977 CD2 LEU A 61 -2.024 -31.970 16.067 1.00 0.00 C ATOM 0 H LEU A 61 -5.021 -28.446 13.868 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.386 -29.522 16.054 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.639 -31.077 13.955 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.916 -31.025 13.642 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.150 -31.805 16.294 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.516 -34.152 15.662 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.705 -33.462 14.532 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.990 -33.559 14.069 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.914 -32.756 16.814 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.301 -32.127 15.266 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.845 -31.000 16.531 1.00 0.00 H new ATOM 989 N GLY A 62 -2.586 -27.321 14.448 1.00 0.00 N ATOM 990 CA GLY A 62 -1.644 -26.347 13.877 1.00 0.00 C ATOM 991 C GLY A 62 -0.938 -25.478 14.927 1.00 0.00 C ATOM 992 O GLY A 62 -1.171 -24.266 14.960 1.00 0.00 O ATOM 0 H GLY A 62 -3.395 -26.876 14.881 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.892 -26.881 13.296 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.181 -25.699 13.185 1.00 0.00 H new ATOM 996 N PRO A 63 -0.067 -26.030 15.796 1.00 0.00 N ATOM 997 CA PRO A 63 0.667 -25.293 16.836 1.00 0.00 C ATOM 998 C PRO A 63 1.856 -24.456 16.311 1.00 0.00 C ATOM 999 O PRO A 63 2.821 -24.234 17.030 1.00 0.00 O ATOM 1000 CB PRO A 63 1.105 -26.384 17.827 1.00 0.00 C ATOM 1001 CG PRO A 63 1.397 -27.562 16.902 1.00 0.00 C ATOM 1002 CD PRO A 63 0.268 -27.446 15.882 1.00 0.00 C ATOM 0 HA PRO A 63 0.035 -24.532 17.294 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.985 -26.086 18.397 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.322 -26.617 18.548 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.379 -27.482 16.436 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.373 -28.514 17.432 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.581 -27.830 14.911 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.597 -28.031 16.193 1.00 0.00 H new ATOM 1010 N ALA A 64 1.802 -24.023 15.050 1.00 0.00 N ATOM 1011 CA ALA A 64 2.856 -23.286 14.328 1.00 0.00 C ATOM 1012 C ALA A 64 4.287 -23.899 14.313 1.00 0.00 C ATOM 1013 O ALA A 64 5.204 -23.238 13.843 1.00 0.00 O ATOM 1014 CB ALA A 64 2.833 -21.823 14.804 1.00 0.00 C ATOM 0 H ALA A 64 0.980 -24.183 14.468 1.00 0.00 H new ATOM 0 HA ALA A 64 2.602 -23.363 13.271 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.606 -21.258 14.282 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.858 -21.386 14.590 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.019 -21.787 15.877 1.00 0.00 H new ATOM 1020 N ALA A 65 4.479 -25.143 14.773 1.00 0.00 N ATOM 1021 CA ALA A 65 5.773 -25.845 14.732 1.00 0.00 C ATOM 1022 C ALA A 65 5.602 -27.263 14.179 1.00 0.00 C ATOM 1023 O ALA A 65 6.032 -27.531 13.065 1.00 0.00 O ATOM 1024 CB ALA A 65 6.399 -25.815 16.133 1.00 0.00 C ATOM 0 H ALA A 65 3.732 -25.699 15.190 1.00 0.00 H new ATOM 0 HA ALA A 65 6.458 -25.340 14.051 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.358 -26.332 16.114 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.551 -24.781 16.442 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.733 -26.311 16.840 1.00 0.00 H new ATOM 1030 N THR A 66 4.819 -28.129 14.836 1.00 0.00 N ATOM 1031 CA THR A 66 4.408 -29.429 14.253 1.00 0.00 C ATOM 1032 C THR A 66 3.655 -29.276 12.922 1.00 0.00 C ATOM 1033 O THR A 66 3.502 -30.218 12.162 1.00 0.00 O ATOM 1034 CB THR A 66 3.525 -30.240 15.220 1.00 0.00 C ATOM 1035 OG1 THR A 66 3.789 -29.916 16.570 1.00 0.00 O ATOM 1036 CG2 THR A 66 3.752 -31.738 15.067 1.00 0.00 C ATOM 0 H THR A 66 4.453 -27.960 15.773 1.00 0.00 H new ATOM 0 HA THR A 66 5.341 -29.963 14.069 1.00 0.00 H new ATOM 0 HB THR A 66 2.497 -29.982 14.963 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.209 -30.449 17.154 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.112 -32.276 15.766 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.512 -32.040 14.048 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.796 -31.971 15.278 1.00 0.00 H new ATOM 1044 N LEU A 67 3.191 -28.072 12.592 1.00 0.00 N ATOM 1045 CA LEU A 67 2.632 -27.756 11.277 1.00 0.00 C ATOM 1046 C LEU A 67 3.545 -28.220 10.131 1.00 0.00 C ATOM 1047 O LEU A 67 3.059 -28.865 9.209 1.00 0.00 O ATOM 1048 CB LEU A 67 2.416 -26.244 11.259 1.00 0.00 C ATOM 1049 CG LEU A 67 1.597 -25.598 10.116 1.00 0.00 C ATOM 1050 CD1 LEU A 67 1.976 -24.123 10.049 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.825 -26.254 8.777 1.00 0.00 C ATOM 0 H LEU A 67 3.192 -27.280 13.235 1.00 0.00 H new ATOM 0 HA LEU A 67 1.693 -28.287 11.118 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.933 -25.973 12.198 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.400 -25.775 11.259 1.00 0.00 H new ATOM 0 HG LEU A 67 0.538 -25.729 10.336 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.414 -23.639 9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.742 -23.644 11.000 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.043 -24.030 9.849 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.222 -25.754 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.879 -26.178 8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.539 -27.304 8.833 1.00 0.00 H new ATOM 1063 N GLU A 68 4.837 -27.901 10.190 1.00 0.00 N ATOM 1064 CA GLU A 68 5.820 -28.223 9.136 1.00 0.00 C ATOM 1065 C GLU A 68 5.739 -29.678 8.659 1.00 0.00 C ATOM 1066 O GLU A 68 5.831 -29.953 7.459 1.00 0.00 O ATOM 1067 CB GLU A 68 7.248 -27.944 9.642 1.00 0.00 C ATOM 1068 CG GLU A 68 7.455 -26.484 10.046 1.00 0.00 C ATOM 1069 CD GLU A 68 8.930 -26.089 10.296 1.00 0.00 C ATOM 1070 OE1 GLU A 68 9.796 -26.989 10.388 1.00 0.00 O ATOM 1071 OE2 GLU A 68 9.204 -24.868 10.377 1.00 0.00 O ATOM 0 H GLU A 68 5.245 -27.403 10.981 1.00 0.00 H new ATOM 0 HA GLU A 68 5.578 -27.584 8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.458 -28.587 10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.963 -28.206 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.048 -25.843 9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.881 -26.286 10.951 1.00 0.00 H new ATOM 1078 N GLU A 69 5.472 -30.604 9.582 1.00 0.00 N ATOM 1079 CA GLU A 69 5.157 -31.986 9.177 1.00 0.00 C ATOM 1080 C GLU A 69 3.719 -32.147 8.674 1.00 0.00 C ATOM 1081 O GLU A 69 3.494 -32.742 7.619 1.00 0.00 O ATOM 1082 CB GLU A 69 5.469 -33.008 10.276 1.00 0.00 C ATOM 1083 CG GLU A 69 4.602 -32.958 11.539 1.00 0.00 C ATOM 1084 CD GLU A 69 4.783 -34.203 12.424 1.00 0.00 C ATOM 1085 OE1 GLU A 69 5.901 -34.767 12.427 1.00 0.00 O ATOM 1086 OE2 GLU A 69 3.798 -34.563 13.112 1.00 0.00 O ATOM 0 H GLU A 69 5.466 -30.436 10.588 1.00 0.00 H new ATOM 0 HA GLU A 69 5.818 -32.196 8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.383 -34.006 9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.509 -32.878 10.574 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.854 -32.067 12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.554 -32.868 11.254 1.00 0.00 H new ATOM 1093 N MET A 70 2.740 -31.580 9.382 1.00 0.00 N ATOM 1094 CA MET A 70 1.308 -31.821 9.157 1.00 0.00 C ATOM 1095 C MET A 70 0.856 -31.391 7.762 1.00 0.00 C ATOM 1096 O MET A 70 -0.016 -31.995 7.133 1.00 0.00 O ATOM 1097 CB MET A 70 0.530 -31.044 10.206 1.00 0.00 C ATOM 1098 CG MET A 70 0.789 -31.397 11.646 1.00 0.00 C ATOM 1099 SD MET A 70 -0.480 -32.448 12.401 1.00 0.00 S ATOM 1100 CE MET A 70 0.566 -33.399 13.536 1.00 0.00 C ATOM 0 H MET A 70 2.921 -30.927 10.144 1.00 0.00 H new ATOM 0 HA MET A 70 1.121 -32.892 9.235 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.746 -29.984 10.072 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.533 -31.180 10.009 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.751 -31.904 11.715 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.871 -30.476 12.224 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.052 -34.093 14.105 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.308 -33.958 12.965 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.072 -32.719 14.221 1.00 0.00 H new ATOM 1110 N MET A 71 1.502 -30.330 7.299 1.00 0.00 N ATOM 1111 CA MET A 71 1.388 -29.731 5.982 1.00 0.00 C ATOM 1112 C MET A 71 1.616 -30.770 4.879 1.00 0.00 C ATOM 1113 O MET A 71 0.825 -30.903 3.951 1.00 0.00 O ATOM 1114 CB MET A 71 2.452 -28.624 5.946 1.00 0.00 C ATOM 1115 CG MET A 71 2.411 -27.728 4.719 1.00 0.00 C ATOM 1116 SD MET A 71 0.892 -26.763 4.491 1.00 0.00 S ATOM 1117 CE MET A 71 -0.076 -27.838 3.394 1.00 0.00 C ATOM 0 H MET A 71 2.171 -29.828 7.883 1.00 0.00 H new ATOM 0 HA MET A 71 0.390 -29.330 5.804 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.337 -28.003 6.834 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.437 -29.087 6.006 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.253 -27.037 4.769 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.560 -28.348 3.835 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.786 -27.235 2.828 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.594 -28.352 2.705 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.618 -28.573 3.990 1.00 0.00 H new ATOM 1127 N THR A 72 2.697 -31.532 5.027 1.00 0.00 N ATOM 1128 CA THR A 72 3.185 -32.528 4.072 1.00 0.00 C ATOM 1129 C THR A 72 2.582 -33.908 4.307 1.00 0.00 C ATOM 1130 O THR A 72 2.291 -34.617 3.350 1.00 0.00 O ATOM 1131 CB THR A 72 4.696 -32.669 4.261 1.00 0.00 C ATOM 1132 OG1 THR A 72 5.325 -31.416 4.089 1.00 0.00 O ATOM 1133 CG2 THR A 72 5.374 -33.618 3.276 1.00 0.00 C ATOM 0 H THR A 72 3.287 -31.470 5.857 1.00 0.00 H new ATOM 0 HA THR A 72 2.907 -32.188 3.074 1.00 0.00 H new ATOM 0 HB THR A 72 4.807 -33.073 5.267 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.209 -31.433 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.443 -33.656 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.948 -34.616 3.381 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.215 -33.261 2.259 1.00 0.00 H new ATOM 1141 N ALA A 73 2.389 -34.310 5.568 1.00 0.00 N ATOM 1142 CA ALA A 73 2.031 -35.679 5.947 1.00 0.00 C ATOM 1143 C ALA A 73 0.750 -36.163 5.256 1.00 0.00 C ATOM 1144 O ALA A 73 0.605 -37.345 4.948 1.00 0.00 O ATOM 1145 CB ALA A 73 1.908 -35.746 7.474 1.00 0.00 C ATOM 0 H ALA A 73 2.479 -33.682 6.366 1.00 0.00 H new ATOM 0 HA ALA A 73 2.818 -36.354 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.642 -36.760 7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.860 -35.472 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.135 -35.054 7.807 1.00 0.00 H new ATOM 1151 N CYS A 74 -0.155 -35.228 4.954 1.00 0.00 N ATOM 1152 CA CYS A 74 -1.394 -35.537 4.224 1.00 0.00 C ATOM 1153 C CYS A 74 -1.211 -35.890 2.720 1.00 0.00 C ATOM 1154 O CYS A 74 -2.194 -36.192 2.055 1.00 0.00 O ATOM 1155 CB CYS A 74 -2.379 -34.382 4.459 1.00 0.00 C ATOM 1156 SG CYS A 74 -4.089 -34.892 4.119 1.00 0.00 S ATOM 0 H CYS A 74 -0.054 -34.244 5.204 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.797 -36.467 4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.298 -34.037 5.490 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.115 -33.540 3.819 1.00 0.00 H new ATOM 0 HG CYS A 74 -4.412 -35.878 4.903 1.00 0.00 H new ATOM 1162 N GLN A 75 0.004 -35.860 2.155 1.00 0.00 N ATOM 1163 CA GLN A 75 0.338 -36.167 0.747 1.00 0.00 C ATOM 1164 C GLN A 75 -0.277 -37.479 0.204 1.00 0.00 C ATOM 1165 O GLN A 75 0.207 -38.583 0.452 1.00 0.00 O ATOM 1166 CB GLN A 75 1.866 -36.102 0.549 1.00 0.00 C ATOM 1167 CG GLN A 75 2.660 -37.138 1.371 1.00 0.00 C ATOM 1168 CD GLN A 75 4.123 -36.765 1.577 1.00 0.00 C ATOM 1169 OE1 GLN A 75 4.785 -36.169 0.746 1.00 0.00 O ATOM 1170 NE2 GLN A 75 4.698 -37.127 2.704 1.00 0.00 N ATOM 0 H GLN A 75 0.831 -35.607 2.695 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.135 -35.397 0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.090 -36.246 -0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.212 -35.103 0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.184 -37.258 2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.608 -38.104 0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.161 -37.627 3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.680 -36.908 2.869 1.00 0.00 H new