USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 MET CE :methyl -162:sc= -1.55 (180deg=-2.44!) USER MOD Set 1.2: A 72 THR OG1 : rot 25:sc= 0.909 USER MOD Set 2.1: A 42 THR OG1 : rot -74:sc= 2.09 USER MOD Set 2.2: A 44 THR OG1 : rot 148:sc= 0.901 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -159:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 27 THR OG1 : rot 159:sc= 1.02 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= 1.2 (180deg=1.03) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.543 K(o=0.54,f=-1.1) USER MOD Single : A 34 SER OG : rot 145:sc= 1.11 USER MOD Single : A 35 GLN : amide:sc= -0.0257 K(o=-0.026,f=-0.99) USER MOD Single : A 38 LYS NZ :NH3+ -97:sc= -0.34! (180deg=-1.53!) USER MOD Single : A 39 ASN :FLIP amide:sc= -3.19! C(o=-4.9!,f=-3.2!) USER MOD Single : A 41 MET CE :methyl 180:sc= -0.127 (180deg=-0.127) USER MOD Single : A 48 GLN : amide:sc= 0.464 X(o=0.46,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0229 K(o=-0.023,f=-0.95) USER MOD Single : A 51 ASN : amide:sc= -1.96! C(o=-2!,f=-4.2!) USER MOD Single : A 54 CYS SG : rot -149:sc= -0.533 USER MOD Single : A 55 LYS NZ :NH3+ -114:sc= 1.03 (180deg=-1.48!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 1.31 (180deg=1.25) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot -88:sc= 0.615 USER MOD Single : A 75 GLN : amide:sc= 0.47 K(o=0.47,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 0.297 -12.071 0.799 1.00 0.00 N ATOM 71 CA ILE A 6 0.396 -12.705 2.111 1.00 0.00 C ATOM 72 C ILE A 6 0.448 -11.660 3.230 1.00 0.00 C ATOM 73 O ILE A 6 -0.537 -11.548 3.954 1.00 0.00 O ATOM 74 CB ILE A 6 1.527 -13.769 2.168 1.00 0.00 C ATOM 75 CG1 ILE A 6 1.950 -14.126 3.612 1.00 0.00 C ATOM 76 CG2 ILE A 6 2.729 -13.572 1.215 1.00 0.00 C ATOM 77 CD1 ILE A 6 0.766 -14.613 4.457 1.00 0.00 C ATOM 0 HA ILE A 6 -0.518 -13.273 2.284 1.00 0.00 H new ATOM 0 HB ILE A 6 1.039 -14.647 1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.717 -14.900 3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.397 -13.252 4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.443 -14.383 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.379 -13.574 0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.213 -12.620 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.111 -14.852 5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.010 -13.830 4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.335 -15.504 4.000 1.00 0.00 H new ATOM 89 N LEU A 7 1.526 -10.877 3.364 1.00 0.00 N ATOM 90 CA LEU A 7 1.696 -9.783 4.326 1.00 0.00 C ATOM 91 C LEU A 7 0.836 -8.544 3.979 1.00 0.00 C ATOM 92 O LEU A 7 1.322 -7.429 3.827 1.00 0.00 O ATOM 93 CB LEU A 7 3.205 -9.507 4.494 1.00 0.00 C ATOM 94 CG LEU A 7 4.137 -9.557 3.259 1.00 0.00 C ATOM 95 CD1 LEU A 7 4.786 -10.935 3.097 1.00 0.00 C ATOM 96 CD2 LEU A 7 3.572 -9.073 1.919 1.00 0.00 C ATOM 0 H LEU A 7 2.347 -10.997 2.771 1.00 0.00 H new ATOM 0 HA LEU A 7 1.309 -10.078 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.307 -8.517 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.588 -10.224 5.220 1.00 0.00 H new ATOM 0 HG LEU A 7 4.884 -8.804 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.433 -10.932 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.377 -11.165 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.010 -11.690 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.336 -9.166 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.707 -9.679 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.271 -8.029 2.007 1.00 0.00 H new ATOM 108 N ASP A 8 -0.456 -8.810 3.811 1.00 0.00 N ATOM 109 CA ASP A 8 -1.514 -7.935 3.279 1.00 0.00 C ATOM 110 C ASP A 8 -2.884 -8.447 3.767 1.00 0.00 C ATOM 111 O ASP A 8 -3.726 -7.683 4.230 1.00 0.00 O ATOM 112 CB ASP A 8 -1.411 -7.998 1.744 1.00 0.00 C ATOM 113 CG ASP A 8 -2.385 -7.108 0.958 1.00 0.00 C ATOM 114 OD1 ASP A 8 -3.597 -7.424 0.924 1.00 0.00 O ATOM 115 OD2 ASP A 8 -1.879 -6.299 0.147 1.00 0.00 O ATOM 0 H ASP A 8 -0.830 -9.724 4.065 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.404 -6.905 3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.394 -7.728 1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.565 -9.031 1.433 1.00 0.00 H new ATOM 120 N ILE A 9 -3.049 -9.777 3.771 1.00 0.00 N ATOM 121 CA ILE A 9 -4.162 -10.493 4.405 1.00 0.00 C ATOM 122 C ILE A 9 -3.806 -10.887 5.849 1.00 0.00 C ATOM 123 O ILE A 9 -2.669 -10.740 6.294 1.00 0.00 O ATOM 124 CB ILE A 9 -4.577 -11.725 3.581 1.00 0.00 C ATOM 125 CG1 ILE A 9 -3.510 -12.838 3.594 1.00 0.00 C ATOM 126 CG2 ILE A 9 -4.964 -11.305 2.151 1.00 0.00 C ATOM 127 CD1 ILE A 9 -4.085 -14.141 3.047 1.00 0.00 C ATOM 0 H ILE A 9 -2.387 -10.405 3.316 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.017 -9.818 4.439 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.456 -12.160 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.652 -12.533 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.150 -12.992 4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.255 -12.186 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.799 -10.606 2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.112 -10.825 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.316 -14.914 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.928 -14.454 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.422 -13.988 2.022 1.00 0.00 H new ATOM 139 N ARG A 10 -4.753 -11.492 6.578 1.00 0.00 N ATOM 140 CA ARG A 10 -4.453 -12.105 7.874 1.00 0.00 C ATOM 141 C ARG A 10 -3.571 -13.351 7.758 1.00 0.00 C ATOM 142 O ARG A 10 -3.747 -14.186 6.866 1.00 0.00 O ATOM 143 CB ARG A 10 -5.759 -12.432 8.629 1.00 0.00 C ATOM 144 CG ARG A 10 -6.615 -13.589 8.066 1.00 0.00 C ATOM 145 CD ARG A 10 -6.213 -14.978 8.608 1.00 0.00 C ATOM 146 NE ARG A 10 -7.199 -16.032 8.273 1.00 0.00 N ATOM 147 CZ ARG A 10 -7.277 -16.701 7.134 1.00 0.00 C ATOM 148 NH1 ARG A 10 -6.443 -16.489 6.155 1.00 0.00 N ATOM 149 NH2 ARG A 10 -8.200 -17.606 6.943 1.00 0.00 N ATOM 0 H ARG A 10 -5.729 -11.569 6.292 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.880 -11.373 8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.505 -12.668 9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.374 -11.532 8.650 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.662 -13.404 8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.533 -13.595 6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.240 -15.254 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.101 -14.922 9.691 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.885 -16.265 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.705 -15.792 6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.528 -17.020 5.289 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.877 -17.807 7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.244 -18.111 6.058 1.00 0.00 H new ATOM 163 N GLN A 11 -2.710 -13.515 8.752 1.00 0.00 N ATOM 164 CA GLN A 11 -2.041 -14.759 9.096 1.00 0.00 C ATOM 165 C GLN A 11 -2.966 -15.501 10.073 1.00 0.00 C ATOM 166 O GLN A 11 -3.786 -14.912 10.776 1.00 0.00 O ATOM 167 CB GLN A 11 -0.657 -14.493 9.719 1.00 0.00 C ATOM 168 CG GLN A 11 0.416 -14.280 8.639 1.00 0.00 C ATOM 169 CD GLN A 11 1.762 -13.826 9.212 1.00 0.00 C ATOM 170 OE1 GLN A 11 1.855 -12.899 9.997 1.00 0.00 O ATOM 171 NE2 GLN A 11 2.858 -14.462 8.855 1.00 0.00 N ATOM 0 H GLN A 11 -2.447 -12.747 9.369 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.859 -15.363 8.207 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.709 -13.613 10.360 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.375 -15.334 10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.557 -15.209 8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.062 -13.536 7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.805 -15.241 8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.760 -14.176 9.234 1.00 0.00 H new ATOM 180 N GLY A 12 -2.858 -16.820 10.092 1.00 0.00 N ATOM 181 CA GLY A 12 -3.655 -17.664 10.992 1.00 0.00 C ATOM 182 C GLY A 12 -3.944 -19.074 10.483 1.00 0.00 C ATOM 183 O GLY A 12 -5.090 -19.369 10.152 1.00 0.00 O ATOM 0 H GLY A 12 -2.221 -17.342 9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.135 -17.740 11.947 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.604 -17.164 11.185 1.00 0.00 H new ATOM 187 N PRO A 13 -2.937 -19.964 10.443 1.00 0.00 N ATOM 188 CA PRO A 13 -3.122 -21.382 10.117 1.00 0.00 C ATOM 189 C PRO A 13 -3.882 -22.168 11.199 1.00 0.00 C ATOM 190 O PRO A 13 -4.296 -23.293 10.951 1.00 0.00 O ATOM 191 CB PRO A 13 -1.701 -21.927 9.972 1.00 0.00 C ATOM 192 CG PRO A 13 -0.888 -21.065 10.935 1.00 0.00 C ATOM 193 CD PRO A 13 -1.556 -19.700 10.825 1.00 0.00 C ATOM 0 HA PRO A 13 -3.729 -21.489 9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.647 -22.983 10.236 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.339 -21.836 8.948 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.927 -21.452 11.953 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.163 -21.024 10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.508 -19.164 11.773 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.056 -19.079 10.082 1.00 0.00 H new ATOM 201 N LYS A 14 -4.062 -21.578 12.391 1.00 0.00 N ATOM 202 CA LYS A 14 -4.564 -22.208 13.627 1.00 0.00 C ATOM 203 C LYS A 14 -5.836 -23.060 13.488 1.00 0.00 C ATOM 204 O LYS A 14 -6.020 -23.954 14.298 1.00 0.00 O ATOM 205 CB LYS A 14 -4.679 -21.107 14.703 1.00 0.00 C ATOM 206 CG LYS A 14 -5.148 -21.568 16.099 1.00 0.00 C ATOM 207 CD LYS A 14 -6.645 -21.303 16.334 1.00 0.00 C ATOM 208 CE LYS A 14 -7.124 -22.001 17.614 1.00 0.00 C ATOM 209 NZ LYS A 14 -8.528 -21.646 17.941 1.00 0.00 N ATOM 0 H LYS A 14 -3.849 -20.590 12.528 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.839 -22.965 13.926 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.706 -20.628 14.809 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.371 -20.346 14.343 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.949 -22.634 16.212 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.567 -21.052 16.863 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.822 -20.230 16.411 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.221 -21.661 15.481 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.041 -23.081 17.492 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.475 -21.723 18.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.751 -21.966 18.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.648 -20.615 17.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.169 -22.109 17.266 1.00 0.00 H new ATOM 223 N GLU A 15 -6.688 -22.799 12.496 1.00 0.00 N ATOM 224 CA GLU A 15 -7.858 -23.632 12.161 1.00 0.00 C ATOM 225 C GLU A 15 -8.257 -23.676 10.663 1.00 0.00 C ATOM 226 O GLU A 15 -8.562 -24.772 10.183 1.00 0.00 O ATOM 227 CB GLU A 15 -9.090 -23.151 12.953 1.00 0.00 C ATOM 228 CG GLU A 15 -9.199 -23.755 14.354 1.00 0.00 C ATOM 229 CD GLU A 15 -10.414 -23.188 15.075 1.00 0.00 C ATOM 230 OE1 GLU A 15 -11.545 -23.578 14.700 1.00 0.00 O ATOM 231 OE2 GLU A 15 -10.200 -22.367 15.989 1.00 0.00 O ATOM 0 H GLU A 15 -6.588 -21.987 11.887 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.545 -24.641 12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.054 -22.065 13.038 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.991 -23.397 12.390 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.281 -24.840 14.285 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.295 -23.539 14.923 1.00 0.00 H new ATOM 238 N PRO A 16 -8.301 -22.556 9.900 1.00 0.00 N ATOM 239 CA PRO A 16 -8.901 -22.496 8.555 1.00 0.00 C ATOM 240 C PRO A 16 -7.975 -23.008 7.430 1.00 0.00 C ATOM 241 O PRO A 16 -7.881 -22.395 6.365 1.00 0.00 O ATOM 242 CB PRO A 16 -9.302 -21.023 8.384 1.00 0.00 C ATOM 243 CG PRO A 16 -8.180 -20.294 9.111 1.00 0.00 C ATOM 244 CD PRO A 16 -7.919 -21.206 10.306 1.00 0.00 C ATOM 0 HA PRO A 16 -9.755 -23.168 8.472 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.359 -20.737 7.334 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.276 -20.813 8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.295 -20.182 8.484 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.480 -19.293 9.421 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.869 -21.172 10.595 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.499 -20.884 11.171 1.00 0.00 H new ATOM 252 N PHE A 17 -7.284 -24.131 7.659 1.00 0.00 N ATOM 253 CA PHE A 17 -6.197 -24.643 6.812 1.00 0.00 C ATOM 254 C PHE A 17 -6.455 -24.511 5.299 1.00 0.00 C ATOM 255 O PHE A 17 -5.783 -23.727 4.644 1.00 0.00 O ATOM 256 CB PHE A 17 -5.828 -26.082 7.239 1.00 0.00 C ATOM 257 CG PHE A 17 -4.341 -26.309 7.460 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.704 -25.643 8.520 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.593 -27.187 6.648 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.335 -25.838 8.761 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.218 -27.378 6.884 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.597 -26.724 7.964 1.00 0.00 C ATOM 0 H PHE A 17 -7.471 -24.728 8.464 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.333 -24.000 6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.361 -26.323 8.159 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.180 -26.776 6.476 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.271 -24.977 9.153 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.078 -27.716 5.841 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.848 -25.303 9.563 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.642 -28.024 6.238 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.554 -26.904 8.178 1.00 0.00 H new ATOM 272 N ARG A 18 -7.452 -25.209 4.726 1.00 0.00 N ATOM 273 CA ARG A 18 -7.743 -25.198 3.269 1.00 0.00 C ATOM 274 C ARG A 18 -8.066 -23.813 2.677 1.00 0.00 C ATOM 275 O ARG A 18 -7.503 -23.395 1.665 1.00 0.00 O ATOM 276 CB ARG A 18 -8.812 -26.232 2.891 1.00 0.00 C ATOM 277 CG ARG A 18 -9.896 -26.635 3.905 1.00 0.00 C ATOM 278 CD ARG A 18 -10.851 -25.481 4.160 1.00 0.00 C ATOM 279 NE ARG A 18 -12.073 -25.903 4.862 1.00 0.00 N ATOM 280 CZ ARG A 18 -13.310 -25.627 4.480 1.00 0.00 C ATOM 281 NH1 ARG A 18 -13.608 -25.028 3.363 1.00 0.00 N ATOM 282 NH2 ARG A 18 -14.302 -25.958 5.256 1.00 0.00 N ATOM 0 H ARG A 18 -8.087 -25.803 5.259 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.800 -25.487 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.323 -25.858 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.290 -27.143 2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.450 -27.495 3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.429 -26.940 4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.343 -24.717 4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.123 -25.022 3.209 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.958 -26.453 5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.866 -24.742 2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.583 -24.844 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.121 -26.424 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.260 -25.752 4.975 1.00 0.00 H new ATOM 296 N ASP A 19 -8.921 -23.101 3.391 1.00 0.00 N ATOM 297 CA ASP A 19 -9.378 -21.725 3.113 1.00 0.00 C ATOM 298 C ASP A 19 -8.301 -20.655 3.376 1.00 0.00 C ATOM 299 O ASP A 19 -8.567 -19.451 3.332 1.00 0.00 O ATOM 300 CB ASP A 19 -10.639 -21.399 3.927 1.00 0.00 C ATOM 301 CG ASP A 19 -11.743 -22.435 3.746 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.952 -22.939 2.618 1.00 0.00 O ATOM 303 OD2 ASP A 19 -12.300 -22.869 4.774 1.00 0.00 O ATOM 0 H ASP A 19 -9.349 -23.480 4.236 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.603 -21.695 2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.377 -21.334 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.014 -20.419 3.631 1.00 0.00 H new ATOM 308 N TYR A 20 -7.066 -21.073 3.647 1.00 0.00 N ATOM 309 CA TYR A 20 -5.900 -20.203 3.733 1.00 0.00 C ATOM 310 C TYR A 20 -4.733 -20.723 2.881 1.00 0.00 C ATOM 311 O TYR A 20 -4.126 -19.917 2.181 1.00 0.00 O ATOM 312 CB TYR A 20 -5.542 -20.011 5.212 1.00 0.00 C ATOM 313 CG TYR A 20 -4.399 -19.063 5.543 1.00 0.00 C ATOM 314 CD1 TYR A 20 -3.935 -18.081 4.639 1.00 0.00 C ATOM 315 CD2 TYR A 20 -3.781 -19.192 6.800 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.812 -17.296 4.959 1.00 0.00 C ATOM 317 CE2 TYR A 20 -2.649 -18.421 7.115 1.00 0.00 C ATOM 318 CZ TYR A 20 -2.156 -17.480 6.190 1.00 0.00 C ATOM 319 OH TYR A 20 -1.052 -16.755 6.489 1.00 0.00 O ATOM 0 H TYR A 20 -6.845 -22.054 3.817 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.133 -19.226 3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.433 -19.656 5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.299 -20.989 5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.445 -17.932 3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.178 -19.886 7.526 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.454 -16.554 4.261 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.156 -18.550 8.067 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.726 -17.007 7.378 1.00 0.00 H new ATOM 329 N VAL A 21 -4.457 -22.031 2.826 1.00 0.00 N ATOM 330 CA VAL A 21 -3.436 -22.609 1.934 1.00 0.00 C ATOM 331 C VAL A 21 -3.600 -22.234 0.487 1.00 0.00 C ATOM 332 O VAL A 21 -2.610 -21.872 -0.128 1.00 0.00 O ATOM 333 CB VAL A 21 -3.353 -24.135 2.022 1.00 0.00 C ATOM 334 CG1 VAL A 21 -2.822 -24.527 3.372 1.00 0.00 C ATOM 335 CG2 VAL A 21 -4.616 -24.890 1.691 1.00 0.00 C ATOM 0 H VAL A 21 -4.936 -22.725 3.400 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.510 -22.169 2.305 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.667 -24.435 1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.762 -25.613 3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.829 -24.099 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.490 -24.153 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.436 -25.961 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.409 -24.592 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.918 -24.664 0.668 1.00 0.00 H new ATOM 345 N ASP A 22 -4.814 -22.273 -0.042 1.00 0.00 N ATOM 346 CA ASP A 22 -5.047 -21.907 -1.435 1.00 0.00 C ATOM 347 C ASP A 22 -4.670 -20.458 -1.686 1.00 0.00 C ATOM 348 O ASP A 22 -3.812 -20.109 -2.494 1.00 0.00 O ATOM 349 CB ASP A 22 -6.543 -22.090 -1.673 1.00 0.00 C ATOM 350 CG ASP A 22 -6.968 -21.822 -3.112 1.00 0.00 C ATOM 351 OD1 ASP A 22 -6.647 -22.664 -3.975 1.00 0.00 O ATOM 352 OD2 ASP A 22 -7.577 -20.746 -3.330 1.00 0.00 O ATOM 0 H ASP A 22 -5.652 -22.553 0.468 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.444 -22.522 -2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.824 -23.108 -1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.093 -21.422 -1.010 1.00 0.00 H new ATOM 357 N ARG A 23 -5.312 -19.633 -0.868 1.00 0.00 N ATOM 358 CA ARG A 23 -5.253 -18.164 -0.882 1.00 0.00 C ATOM 359 C ARG A 23 -3.847 -17.640 -0.603 1.00 0.00 C ATOM 360 O ARG A 23 -3.530 -16.529 -1.027 1.00 0.00 O ATOM 361 CB ARG A 23 -6.296 -17.547 0.077 1.00 0.00 C ATOM 362 CG ARG A 23 -7.514 -18.421 0.407 1.00 0.00 C ATOM 363 CD ARG A 23 -8.232 -18.910 -0.849 1.00 0.00 C ATOM 364 NE ARG A 23 -9.351 -18.053 -1.233 1.00 0.00 N ATOM 365 CZ ARG A 23 -10.058 -18.218 -2.340 1.00 0.00 C ATOM 366 NH1 ARG A 23 -9.704 -19.070 -3.259 1.00 0.00 N ATOM 367 NH2 ARG A 23 -11.139 -17.518 -2.559 1.00 0.00 N ATOM 0 H ARG A 23 -5.925 -19.985 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.509 -17.845 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.794 -17.292 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.652 -16.614 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.194 -19.279 0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.210 -17.852 1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.520 -18.960 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.597 -19.923 -0.682 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.602 -17.283 -0.613 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.862 -19.632 -3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.269 -19.175 -4.102 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.450 -16.832 -1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.672 -17.658 -3.417 1.00 0.00 H new ATOM 381 N PHE A 24 -3.024 -18.451 0.063 1.00 0.00 N ATOM 382 CA PHE A 24 -1.600 -18.220 0.289 1.00 0.00 C ATOM 383 C PHE A 24 -0.697 -18.749 -0.844 1.00 0.00 C ATOM 384 O PHE A 24 0.032 -17.965 -1.462 1.00 0.00 O ATOM 385 CB PHE A 24 -1.202 -18.852 1.637 1.00 0.00 C ATOM 386 CG PHE A 24 0.265 -18.666 1.974 1.00 0.00 C ATOM 387 CD1 PHE A 24 0.882 -17.412 1.828 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.037 -19.762 2.382 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.255 -17.254 2.086 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.405 -19.595 2.651 1.00 0.00 C ATOM 391 CZ PHE A 24 3.032 -18.336 2.509 1.00 0.00 C ATOM 0 H PHE A 24 -3.348 -19.325 0.477 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.444 -17.141 0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.809 -18.414 2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.430 -19.918 1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.296 -16.561 1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.580 -20.735 2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.715 -16.285 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.989 -20.445 2.972 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.084 -18.213 2.722 1.00 0.00 H new ATOM 401 N TYR A 25 -0.720 -20.059 -1.141 1.00 0.00 N ATOM 402 CA TYR A 25 0.164 -20.684 -2.138 1.00 0.00 C ATOM 403 C TYR A 25 -0.046 -20.120 -3.549 1.00 0.00 C ATOM 404 O TYR A 25 0.933 -20.039 -4.289 1.00 0.00 O ATOM 405 CB TYR A 25 0.106 -22.220 -2.089 1.00 0.00 C ATOM 406 CG TYR A 25 1.259 -22.915 -1.369 1.00 0.00 C ATOM 407 CD1 TYR A 25 1.771 -22.448 -0.140 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.824 -24.066 -1.947 1.00 0.00 C ATOM 409 CE1 TYR A 25 2.867 -23.089 0.473 1.00 0.00 C ATOM 410 CE2 TYR A 25 2.920 -24.709 -1.332 1.00 0.00 C ATOM 411 CZ TYR A 25 3.450 -24.230 -0.113 1.00 0.00 C ATOM 412 OH TYR A 25 4.476 -24.897 0.494 1.00 0.00 O ATOM 0 H TYR A 25 -1.357 -20.718 -0.693 1.00 0.00 H new ATOM 0 HA TYR A 25 1.183 -20.413 -1.861 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.826 -22.512 -1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.065 -22.594 -3.112 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.319 -21.591 0.336 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.417 -24.460 -2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.263 -22.702 1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.359 -25.578 -1.799 1.00 0.00 H new ATOM 0 HH TYR A 25 4.745 -25.659 -0.061 1.00 0.00 H new ATOM 422 N LYS A 26 -1.251 -19.620 -3.866 1.00 0.00 N ATOM 423 CA LYS A 26 -1.588 -18.810 -5.051 1.00 0.00 C ATOM 424 C LYS A 26 -0.553 -17.718 -5.357 1.00 0.00 C ATOM 425 O LYS A 26 -0.297 -17.465 -6.536 1.00 0.00 O ATOM 426 CB LYS A 26 -3.014 -18.251 -4.829 1.00 0.00 C ATOM 427 CG LYS A 26 -3.486 -17.070 -5.705 1.00 0.00 C ATOM 428 CD LYS A 26 -3.155 -15.687 -5.110 1.00 0.00 C ATOM 429 CE LYS A 26 -3.973 -15.348 -3.855 1.00 0.00 C ATOM 430 NZ LYS A 26 -3.297 -14.335 -3.005 1.00 0.00 N ATOM 0 H LYS A 26 -2.063 -19.778 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.566 -19.435 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.718 -19.071 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.091 -17.942 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.025 -17.152 -6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.564 -17.145 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.094 -15.651 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.332 -14.923 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.954 -14.976 -4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.139 -16.256 -3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.670 -14.390 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.274 -14.519 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.473 -13.385 -3.390 1.00 0.00 H new ATOM 444 N THR A 27 0.057 -17.118 -4.326 1.00 0.00 N ATOM 445 CA THR A 27 1.020 -16.007 -4.424 1.00 0.00 C ATOM 446 C THR A 27 2.386 -16.334 -3.855 1.00 0.00 C ATOM 447 O THR A 27 3.354 -16.026 -4.527 1.00 0.00 O ATOM 448 CB THR A 27 0.507 -14.714 -3.762 1.00 0.00 C ATOM 449 OG1 THR A 27 -0.546 -14.968 -2.848 1.00 0.00 O ATOM 450 CG2 THR A 27 -0.023 -13.786 -4.856 1.00 0.00 C ATOM 0 H THR A 27 -0.112 -17.403 -3.361 1.00 0.00 H new ATOM 0 HA THR A 27 1.125 -15.846 -5.497 1.00 0.00 H new ATOM 0 HB THR A 27 1.335 -14.263 -3.215 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.618 -14.222 -2.217 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.391 -12.864 -4.405 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.780 -13.552 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.836 -14.279 -5.389 1.00 0.00 H new ATOM 458 N LEU A 28 2.513 -17.023 -2.716 1.00 0.00 N ATOM 459 CA LEU A 28 3.803 -17.520 -2.200 1.00 0.00 C ATOM 460 C LEU A 28 4.707 -18.152 -3.289 1.00 0.00 C ATOM 461 O LEU A 28 5.895 -17.824 -3.390 1.00 0.00 O ATOM 462 CB LEU A 28 3.464 -18.442 -1.035 1.00 0.00 C ATOM 463 CG LEU A 28 4.629 -19.227 -0.430 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.026 -20.457 -1.256 1.00 0.00 C ATOM 465 CD2 LEU A 28 5.846 -18.372 -0.089 1.00 0.00 C ATOM 0 H LEU A 28 1.720 -17.256 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 28 4.427 -16.698 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.009 -17.843 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.710 -19.154 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 28 4.235 -19.590 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.858 -20.968 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.176 -21.136 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.326 -20.143 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.627 -19.003 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.219 -17.892 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.563 -17.609 0.636 1.00 0.00 H new ATOM 477 N ARG A 29 4.105 -18.955 -4.183 1.00 0.00 N ATOM 478 CA ARG A 29 4.753 -19.540 -5.385 1.00 0.00 C ATOM 479 C ARG A 29 5.431 -18.535 -6.333 1.00 0.00 C ATOM 480 O ARG A 29 6.273 -18.917 -7.134 1.00 0.00 O ATOM 481 CB ARG A 29 3.744 -20.420 -6.141 1.00 0.00 C ATOM 482 CG ARG A 29 2.628 -19.628 -6.851 1.00 0.00 C ATOM 483 CD ARG A 29 1.576 -20.578 -7.454 1.00 0.00 C ATOM 484 NE ARG A 29 0.500 -19.865 -8.190 1.00 0.00 N ATOM 485 CZ ARG A 29 -0.183 -20.329 -9.231 1.00 0.00 C ATOM 486 NH1 ARG A 29 0.086 -21.479 -9.780 1.00 0.00 N ATOM 487 NH2 ARG A 29 -1.165 -19.660 -9.768 1.00 0.00 N ATOM 0 H ARG A 29 3.126 -19.227 -4.093 1.00 0.00 H new ATOM 0 HA ARG A 29 5.579 -20.142 -5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.280 -21.015 -6.881 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.289 -21.118 -5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.149 -18.952 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.060 -19.011 -7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.070 -21.275 -8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.130 -21.171 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 29 0.263 -18.928 -7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.843 -22.056 -9.412 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.460 -21.803 -10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.430 -18.751 -9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.668 -20.046 -10.567 1.00 0.00 H new ATOM 501 N ALA A 30 5.067 -17.263 -6.249 1.00 0.00 N ATOM 502 CA ALA A 30 5.549 -16.146 -7.059 1.00 0.00 C ATOM 503 C ALA A 30 6.038 -14.949 -6.211 1.00 0.00 C ATOM 504 O ALA A 30 6.486 -13.955 -6.775 1.00 0.00 O ATOM 505 CB ALA A 30 4.428 -15.741 -8.025 1.00 0.00 C ATOM 0 H ALA A 30 4.376 -16.959 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 30 6.428 -16.469 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.763 -14.907 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.175 -16.587 -8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.548 -15.440 -7.456 1.00 0.00 H new ATOM 511 N GLU A 31 5.969 -15.019 -4.875 1.00 0.00 N ATOM 512 CA GLU A 31 6.612 -14.072 -3.948 1.00 0.00 C ATOM 513 C GLU A 31 8.011 -14.572 -3.548 1.00 0.00 C ATOM 514 O GLU A 31 8.974 -13.819 -3.638 1.00 0.00 O ATOM 515 CB GLU A 31 5.796 -13.883 -2.650 1.00 0.00 C ATOM 516 CG GLU A 31 4.338 -13.410 -2.735 1.00 0.00 C ATOM 517 CD GLU A 31 4.053 -12.476 -3.909 1.00 0.00 C ATOM 518 OE1 GLU A 31 4.341 -11.267 -3.815 1.00 0.00 O ATOM 519 OE2 GLU A 31 3.543 -12.931 -4.956 1.00 0.00 O ATOM 0 H GLU A 31 5.451 -15.755 -4.394 1.00 0.00 H new ATOM 0 HA GLU A 31 6.674 -13.121 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.800 -14.836 -2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.335 -13.170 -2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.688 -14.282 -2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.078 -12.900 -1.807 1.00 0.00 H new ATOM 526 N GLN A 32 8.118 -15.857 -3.174 1.00 0.00 N ATOM 527 CA GLN A 32 9.316 -16.482 -2.587 1.00 0.00 C ATOM 528 C GLN A 32 9.697 -17.808 -3.282 1.00 0.00 C ATOM 529 O GLN A 32 10.646 -18.473 -2.869 1.00 0.00 O ATOM 530 CB GLN A 32 9.084 -16.799 -1.094 1.00 0.00 C ATOM 531 CG GLN A 32 8.347 -15.769 -0.223 1.00 0.00 C ATOM 532 CD GLN A 32 9.184 -14.561 0.184 1.00 0.00 C ATOM 533 OE1 GLN A 32 10.182 -14.203 -0.420 1.00 0.00 O ATOM 534 NE2 GLN A 32 8.812 -13.895 1.249 1.00 0.00 N ATOM 0 H GLN A 32 7.345 -16.514 -3.276 1.00 0.00 H new ATOM 0 HA GLN A 32 10.123 -15.762 -2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.529 -17.736 -1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.058 -16.978 -0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.468 -15.419 -0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.989 -16.266 0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.980 -14.182 1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.354 -13.090 1.562 1.00 0.00 H new ATOM 543 N ALA A 33 8.901 -18.256 -4.265 1.00 0.00 N ATOM 544 CA ALA A 33 8.966 -19.562 -4.948 1.00 0.00 C ATOM 545 C ALA A 33 8.900 -20.838 -4.061 1.00 0.00 C ATOM 546 O ALA A 33 8.909 -21.948 -4.590 1.00 0.00 O ATOM 547 CB ALA A 33 10.168 -19.551 -5.902 1.00 0.00 C ATOM 0 H ALA A 33 8.143 -17.679 -4.630 1.00 0.00 H new ATOM 0 HA ALA A 33 8.031 -19.659 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.233 -20.510 -6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.044 -18.753 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.082 -19.382 -5.333 1.00 0.00 H new ATOM 553 N SER A 34 8.769 -20.695 -2.735 1.00 0.00 N ATOM 554 CA SER A 34 8.863 -21.742 -1.690 1.00 0.00 C ATOM 555 C SER A 34 7.713 -22.777 -1.637 1.00 0.00 C ATOM 556 O SER A 34 7.245 -23.169 -0.566 1.00 0.00 O ATOM 557 CB SER A 34 9.078 -21.068 -0.323 1.00 0.00 C ATOM 558 OG SER A 34 9.819 -21.924 0.527 1.00 0.00 O ATOM 0 H SER A 34 8.580 -19.779 -2.327 1.00 0.00 H new ATOM 0 HA SER A 34 9.721 -22.354 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.607 -20.124 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.115 -20.834 0.132 1.00 0.00 H new ATOM 0 HG SER A 34 10.414 -21.389 1.092 1.00 0.00 H new ATOM 564 N GLN A 35 7.227 -23.237 -2.792 1.00 0.00 N ATOM 565 CA GLN A 35 6.279 -24.353 -2.939 1.00 0.00 C ATOM 566 C GLN A 35 6.921 -25.732 -2.612 1.00 0.00 C ATOM 567 O GLN A 35 6.802 -26.698 -3.363 1.00 0.00 O ATOM 568 CB GLN A 35 5.629 -24.235 -4.336 1.00 0.00 C ATOM 569 CG GLN A 35 4.647 -25.375 -4.673 1.00 0.00 C ATOM 570 CD GLN A 35 3.416 -24.991 -5.483 1.00 0.00 C ATOM 571 OE1 GLN A 35 3.186 -23.862 -5.888 1.00 0.00 O ATOM 572 NE2 GLN A 35 2.538 -25.942 -5.711 1.00 0.00 N ATOM 0 H GLN A 35 7.491 -22.829 -3.689 1.00 0.00 H new ATOM 0 HA GLN A 35 5.484 -24.288 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.100 -23.284 -4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.416 -24.213 -5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.191 -26.143 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.314 -25.826 -3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.715 -26.890 -5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.679 -25.732 -6.220 1.00 0.00 H new ATOM 581 N GLU A 36 7.634 -25.835 -1.490 1.00 0.00 N ATOM 582 CA GLU A 36 8.329 -27.048 -1.039 1.00 0.00 C ATOM 583 C GLU A 36 8.230 -27.213 0.497 1.00 0.00 C ATOM 584 O GLU A 36 7.935 -26.272 1.233 1.00 0.00 O ATOM 585 CB GLU A 36 9.812 -26.991 -1.504 1.00 0.00 C ATOM 586 CG GLU A 36 10.543 -28.349 -1.432 1.00 0.00 C ATOM 587 CD GLU A 36 11.946 -28.296 -0.844 1.00 0.00 C ATOM 588 OE1 GLU A 36 12.975 -28.104 -1.525 1.00 0.00 O ATOM 589 OE2 GLU A 36 12.024 -28.453 0.391 1.00 0.00 O ATOM 0 H GLU A 36 7.749 -25.052 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 36 7.849 -27.919 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.847 -26.625 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.348 -26.268 -0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.942 -29.037 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.603 -28.766 -2.437 1.00 0.00 H new ATOM 596 N VAL A 37 8.525 -28.418 0.995 1.00 0.00 N ATOM 597 CA VAL A 37 8.794 -28.764 2.401 1.00 0.00 C ATOM 598 C VAL A 37 9.727 -27.764 3.088 1.00 0.00 C ATOM 599 O VAL A 37 9.614 -27.556 4.292 1.00 0.00 O ATOM 600 CB VAL A 37 9.400 -30.179 2.456 1.00 0.00 C ATOM 601 CG1 VAL A 37 9.890 -30.563 3.853 1.00 0.00 C ATOM 602 CG2 VAL A 37 8.377 -31.220 1.990 1.00 0.00 C ATOM 0 H VAL A 37 8.587 -29.235 0.388 1.00 0.00 H new ATOM 0 HA VAL A 37 7.849 -28.729 2.943 1.00 0.00 H new ATOM 0 HB VAL A 37 10.262 -30.165 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.306 -31.570 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.659 -29.860 4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.055 -30.533 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.823 -32.214 2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.501 -31.185 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.078 -31.003 0.964 1.00 0.00 H new ATOM 612 N LYS A 38 10.611 -27.104 2.325 1.00 0.00 N ATOM 613 CA LYS A 38 11.410 -25.935 2.786 1.00 0.00 C ATOM 614 C LYS A 38 10.617 -24.925 3.644 1.00 0.00 C ATOM 615 O LYS A 38 11.216 -24.290 4.507 1.00 0.00 O ATOM 616 CB LYS A 38 11.928 -25.131 1.579 1.00 0.00 C ATOM 617 CG LYS A 38 13.271 -25.452 0.902 1.00 0.00 C ATOM 618 CD LYS A 38 14.412 -25.968 1.795 1.00 0.00 C ATOM 619 CE LYS A 38 14.419 -27.495 1.963 1.00 0.00 C ATOM 620 NZ LYS A 38 14.668 -28.196 0.677 1.00 0.00 N ATOM 0 H LYS A 38 10.801 -27.362 1.357 1.00 0.00 H new ATOM 0 HA LYS A 38 12.208 -26.372 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.163 -25.197 0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.975 -24.088 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.087 -26.197 0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.619 -24.549 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.365 -25.653 1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.332 -25.503 2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.187 -27.777 2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.462 -27.819 2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.761 -28.488 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.160 -27.555 0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.257 -29.036 0.848 1.00 0.00 H new ATOM 634 N ASN A 39 9.326 -24.746 3.340 1.00 0.00 N ATOM 635 CA ASN A 39 8.299 -23.875 3.937 1.00 0.00 C ATOM 636 C ASN A 39 8.759 -22.908 5.064 1.00 0.00 C ATOM 637 O ASN A 39 8.862 -21.711 4.793 1.00 0.00 O ATOM 638 CB ASN A 39 7.072 -24.781 4.244 1.00 0.00 C ATOM 639 CG ASN A 39 6.073 -24.249 5.261 1.00 0.00 C ATOM 640 OD1 ASN A 39 4.930 -23.749 4.849 1.00 0.00 O flip ATOM 641 ND2 ASN A 39 6.270 -24.294 6.456 1.00 0.00 N flip ATOM 0 H ASN A 39 8.922 -25.277 2.569 1.00 0.00 H new ATOM 0 HA ASN A 39 8.014 -23.107 3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.542 -24.966 3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.439 -25.744 4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.145 -24.675 6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.560 -23.951 7.103 1.00 0.00 H new ATOM 648 N ALA A 40 9.100 -23.387 6.265 1.00 0.00 N ATOM 649 CA ALA A 40 9.422 -22.568 7.448 1.00 0.00 C ATOM 650 C ALA A 40 10.547 -21.504 7.303 1.00 0.00 C ATOM 651 O ALA A 40 10.697 -20.653 8.178 1.00 0.00 O ATOM 652 CB ALA A 40 9.720 -23.532 8.605 1.00 0.00 C ATOM 0 H ALA A 40 9.163 -24.388 6.451 1.00 0.00 H new ATOM 0 HA ALA A 40 8.547 -21.943 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.963 -22.961 9.501 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.844 -24.152 8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.564 -24.169 8.340 1.00 0.00 H new ATOM 658 N MET A 41 11.338 -21.500 6.218 1.00 0.00 N ATOM 659 CA MET A 41 12.285 -20.406 5.897 1.00 0.00 C ATOM 660 C MET A 41 11.640 -19.065 5.461 1.00 0.00 C ATOM 661 O MET A 41 12.355 -18.105 5.172 1.00 0.00 O ATOM 662 CB MET A 41 13.354 -20.887 4.895 1.00 0.00 C ATOM 663 CG MET A 41 12.852 -21.452 3.557 1.00 0.00 C ATOM 664 SD MET A 41 11.890 -20.377 2.459 1.00 0.00 S ATOM 665 CE MET A 41 13.132 -19.142 1.988 1.00 0.00 C ATOM 0 H MET A 41 11.343 -22.256 5.533 1.00 0.00 H new ATOM 0 HA MET A 41 12.765 -20.160 6.844 1.00 0.00 H new ATOM 0 HB2 MET A 41 14.019 -20.050 4.681 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.955 -21.655 5.383 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.721 -21.800 2.999 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.243 -22.329 3.777 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.683 -18.414 1.312 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.496 -18.633 2.881 1.00 0.00 H new ATOM 0 HE3 MET A 41 13.965 -19.636 1.487 1.00 0.00 H new ATOM 675 N THR A 42 10.306 -18.987 5.412 1.00 0.00 N ATOM 676 CA THR A 42 9.496 -17.803 5.047 1.00 0.00 C ATOM 677 C THR A 42 8.321 -17.619 6.002 1.00 0.00 C ATOM 678 O THR A 42 8.064 -18.462 6.851 1.00 0.00 O ATOM 679 CB THR A 42 8.973 -17.911 3.591 1.00 0.00 C ATOM 680 OG1 THR A 42 8.945 -19.248 3.125 1.00 0.00 O ATOM 681 CG2 THR A 42 9.964 -17.191 2.694 1.00 0.00 C ATOM 0 H THR A 42 9.721 -19.792 5.638 1.00 0.00 H new ATOM 0 HA THR A 42 10.147 -16.932 5.124 1.00 0.00 H new ATOM 0 HB THR A 42 7.966 -17.495 3.571 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.859 -19.547 2.935 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.626 -17.248 1.659 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.035 -16.146 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.943 -17.662 2.782 1.00 0.00 H new ATOM 689 N GLU A 43 7.568 -16.527 5.851 1.00 0.00 N ATOM 690 CA GLU A 43 6.270 -16.302 6.517 1.00 0.00 C ATOM 691 C GLU A 43 5.259 -17.454 6.335 1.00 0.00 C ATOM 692 O GLU A 43 4.283 -17.541 7.075 1.00 0.00 O ATOM 693 CB GLU A 43 5.660 -14.966 6.040 1.00 0.00 C ATOM 694 CG GLU A 43 5.394 -14.848 4.525 1.00 0.00 C ATOM 695 CD GLU A 43 6.640 -14.714 3.632 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.721 -14.343 4.143 1.00 0.00 O ATOM 697 OE2 GLU A 43 6.540 -15.032 2.432 1.00 0.00 O ATOM 0 H GLU A 43 7.845 -15.752 5.249 1.00 0.00 H new ATOM 0 HA GLU A 43 6.478 -16.261 7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.719 -14.810 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.329 -14.158 6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.834 -15.727 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.754 -13.982 4.355 1.00 0.00 H new ATOM 704 N THR A 44 5.519 -18.296 5.333 1.00 0.00 N ATOM 705 CA THR A 44 4.978 -19.592 4.922 1.00 0.00 C ATOM 706 C THR A 44 4.776 -20.608 6.035 1.00 0.00 C ATOM 707 O THR A 44 5.699 -20.976 6.745 1.00 0.00 O ATOM 708 CB THR A 44 5.939 -20.177 3.871 1.00 0.00 C ATOM 709 OG1 THR A 44 6.294 -19.178 2.957 1.00 0.00 O ATOM 710 CG2 THR A 44 5.407 -21.300 2.989 1.00 0.00 C ATOM 0 H THR A 44 6.250 -18.029 4.673 1.00 0.00 H new ATOM 0 HA THR A 44 3.976 -19.403 4.538 1.00 0.00 H new ATOM 0 HB THR A 44 6.745 -20.577 4.486 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.210 -19.331 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.186 -21.618 2.295 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.110 -22.143 3.613 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.544 -20.943 2.427 1.00 0.00 H new ATOM 718 N LEU A 45 3.554 -21.147 6.113 1.00 0.00 N ATOM 719 CA LEU A 45 3.086 -21.896 7.279 1.00 0.00 C ATOM 720 C LEU A 45 2.003 -22.971 7.008 1.00 0.00 C ATOM 721 O LEU A 45 1.307 -23.353 7.941 1.00 0.00 O ATOM 722 CB LEU A 45 2.648 -20.815 8.305 1.00 0.00 C ATOM 723 CG LEU A 45 1.914 -19.571 7.745 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.608 -19.881 7.047 1.00 0.00 C ATOM 725 CD2 LEU A 45 1.681 -18.528 8.823 1.00 0.00 C ATOM 0 H LEU A 45 2.862 -21.075 5.367 1.00 0.00 H new ATOM 0 HA LEU A 45 3.892 -22.523 7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.998 -21.289 9.040 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.536 -20.474 8.837 1.00 0.00 H new ATOM 0 HG LEU A 45 2.588 -19.173 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.160 -18.955 6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.795 -20.547 6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.073 -20.364 7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.164 -17.670 8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.072 -18.957 9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.639 -18.207 9.232 1.00 0.00 H new ATOM 737 N LEU A 46 1.822 -23.407 5.746 1.00 0.00 N ATOM 738 CA LEU A 46 0.853 -24.416 5.246 1.00 0.00 C ATOM 739 C LEU A 46 0.984 -24.607 3.698 1.00 0.00 C ATOM 740 O LEU A 46 1.880 -23.996 3.118 1.00 0.00 O ATOM 741 CB LEU A 46 -0.570 -24.162 5.822 1.00 0.00 C ATOM 742 CG LEU A 46 -1.097 -22.711 5.956 1.00 0.00 C ATOM 743 CD1 LEU A 46 -1.045 -21.814 4.713 1.00 0.00 C ATOM 744 CD2 LEU A 46 -2.501 -22.667 6.558 1.00 0.00 C ATOM 0 H LEU A 46 2.392 -23.037 4.986 1.00 0.00 H new ATOM 0 HA LEU A 46 1.098 -25.405 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.276 -24.708 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.605 -24.614 6.813 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.363 -22.276 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.446 -20.830 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.012 -21.712 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.640 -22.261 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.832 -21.631 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.188 -23.222 5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.485 -23.117 7.551 1.00 0.00 H new ATOM 756 N VAL A 47 0.191 -25.476 3.033 1.00 0.00 N ATOM 757 CA VAL A 47 0.337 -25.938 1.629 1.00 0.00 C ATOM 758 C VAL A 47 -1.020 -26.330 1.021 1.00 0.00 C ATOM 759 O VAL A 47 -1.785 -27.029 1.683 1.00 0.00 O ATOM 760 CB VAL A 47 1.144 -27.258 1.581 1.00 0.00 C ATOM 761 CG1 VAL A 47 1.722 -27.539 0.197 1.00 0.00 C ATOM 762 CG2 VAL A 47 2.282 -27.340 2.584 1.00 0.00 C ATOM 0 H VAL A 47 -0.618 -25.901 3.487 1.00 0.00 H new ATOM 0 HA VAL A 47 0.811 -25.116 1.093 1.00 0.00 H new ATOM 0 HB VAL A 47 0.401 -28.011 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.278 -28.476 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.911 -27.615 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.390 -26.727 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.791 -28.298 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.989 -26.531 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.884 -27.250 3.595 1.00 0.00 H new ATOM 772 N GLN A 48 -1.313 -25.991 -0.242 1.00 0.00 N ATOM 773 CA GLN A 48 -2.483 -26.505 -0.982 1.00 0.00 C ATOM 774 C GLN A 48 -2.675 -28.028 -0.894 1.00 0.00 C ATOM 775 O GLN A 48 -3.812 -28.487 -0.867 1.00 0.00 O ATOM 776 CB GLN A 48 -2.421 -26.062 -2.454 1.00 0.00 C ATOM 777 CG GLN A 48 -2.957 -24.636 -2.603 1.00 0.00 C ATOM 778 CD GLN A 48 -2.911 -24.130 -4.046 1.00 0.00 C ATOM 779 OE1 GLN A 48 -1.858 -24.130 -4.663 1.00 0.00 O ATOM 780 NE2 GLN A 48 -3.991 -23.664 -4.645 1.00 0.00 N ATOM 0 H GLN A 48 -0.741 -25.346 -0.788 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.354 -26.069 -0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.393 -26.110 -2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.006 -26.744 -3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.985 -24.601 -2.244 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.375 -23.966 -1.970 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.883 -23.653 -4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.933 -23.315 -5.602 1.00 0.00 H new ATOM 789 N ASN A 49 -1.595 -28.805 -0.752 1.00 0.00 N ATOM 790 CA ASN A 49 -1.643 -30.257 -0.546 1.00 0.00 C ATOM 791 C ASN A 49 -2.269 -30.710 0.799 1.00 0.00 C ATOM 792 O ASN A 49 -2.277 -31.895 1.115 1.00 0.00 O ATOM 793 CB ASN A 49 -0.217 -30.799 -0.733 1.00 0.00 C ATOM 794 CG ASN A 49 -0.181 -32.264 -1.135 1.00 0.00 C ATOM 795 OD1 ASN A 49 -1.074 -32.813 -1.754 1.00 0.00 O ATOM 796 ND2 ASN A 49 0.917 -32.928 -0.879 1.00 0.00 N ATOM 0 H ASN A 49 -0.645 -28.435 -0.778 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.324 -30.679 -1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.293 -30.208 -1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.338 -30.670 0.196 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.016 -33.892 -1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.674 -32.482 -0.361 1.00 0.00 H new ATOM 803 N ALA A 50 -2.788 -29.786 1.613 1.00 0.00 N ATOM 804 CA ALA A 50 -3.598 -30.070 2.792 1.00 0.00 C ATOM 805 C ALA A 50 -4.694 -31.120 2.496 1.00 0.00 C ATOM 806 O ALA A 50 -5.674 -30.850 1.805 1.00 0.00 O ATOM 807 CB ALA A 50 -4.168 -28.736 3.275 1.00 0.00 C ATOM 0 H ALA A 50 -2.649 -28.787 1.460 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.992 -30.517 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.783 -28.902 4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.350 -28.060 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.777 -28.294 2.487 1.00 0.00 H new ATOM 813 N ASN A 51 -4.596 -32.293 3.116 1.00 0.00 N ATOM 814 CA ASN A 51 -5.351 -33.511 2.766 1.00 0.00 C ATOM 815 C ASN A 51 -6.553 -33.696 3.723 1.00 0.00 C ATOM 816 O ASN A 51 -6.658 -32.874 4.638 1.00 0.00 O ATOM 817 CB ASN A 51 -4.315 -34.655 2.741 1.00 0.00 C ATOM 818 CG ASN A 51 -4.516 -35.664 1.625 1.00 0.00 C ATOM 819 OD1 ASN A 51 -5.254 -35.455 0.682 1.00 0.00 O ATOM 820 ND2 ASN A 51 -3.910 -36.816 1.731 1.00 0.00 N ATOM 0 H ASN A 51 -3.967 -32.435 3.907 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.825 -33.470 1.786 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.318 -34.223 2.648 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.348 -35.178 3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.057 -37.536 1.024 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.290 -36.995 2.521 1.00 0.00 H new ATOM 827 N PRO A 52 -7.541 -34.600 3.530 1.00 0.00 N ATOM 828 CA PRO A 52 -8.772 -34.583 4.340 1.00 0.00 C ATOM 829 C PRO A 52 -8.497 -34.941 5.806 1.00 0.00 C ATOM 830 O PRO A 52 -8.905 -34.200 6.701 1.00 0.00 O ATOM 831 CB PRO A 52 -9.740 -35.554 3.656 1.00 0.00 C ATOM 832 CG PRO A 52 -8.833 -36.517 2.892 1.00 0.00 C ATOM 833 CD PRO A 52 -7.602 -35.675 2.549 1.00 0.00 C ATOM 0 HA PRO A 52 -9.207 -33.585 4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.356 -36.081 4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.420 -35.030 2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.568 -37.382 3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.320 -36.896 1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.697 -36.282 2.583 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.678 -35.273 1.539 1.00 0.00 H new ATOM 841 N ASP A 53 -7.717 -36.005 6.002 1.00 0.00 N ATOM 842 CA ASP A 53 -7.128 -36.425 7.272 1.00 0.00 C ATOM 843 C ASP A 53 -6.417 -35.250 7.975 1.00 0.00 C ATOM 844 O ASP A 53 -6.935 -34.727 8.962 1.00 0.00 O ATOM 845 CB ASP A 53 -6.205 -37.610 6.937 1.00 0.00 C ATOM 846 CG ASP A 53 -5.150 -37.835 8.008 1.00 0.00 C ATOM 847 OD1 ASP A 53 -5.489 -38.471 9.021 1.00 0.00 O ATOM 848 OD2 ASP A 53 -4.057 -37.266 7.807 1.00 0.00 O ATOM 0 H ASP A 53 -7.466 -36.630 5.236 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.880 -36.744 7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.803 -38.514 6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.716 -37.429 5.980 1.00 0.00 H new ATOM 853 N CYS A 54 -5.308 -34.742 7.408 1.00 0.00 N ATOM 854 CA CYS A 54 -4.508 -33.703 8.075 1.00 0.00 C ATOM 855 C CYS A 54 -5.316 -32.434 8.410 1.00 0.00 C ATOM 856 O CYS A 54 -5.127 -31.805 9.445 1.00 0.00 O ATOM 857 CB CYS A 54 -3.272 -33.358 7.240 1.00 0.00 C ATOM 858 SG CYS A 54 -1.867 -33.146 8.371 1.00 0.00 S ATOM 0 H CYS A 54 -4.949 -35.032 6.498 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.189 -34.121 9.030 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.065 -34.151 6.521 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.441 -32.445 6.669 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.042 -32.270 7.879 1.00 0.00 H new ATOM 864 N LYS A 55 -6.291 -32.072 7.569 1.00 0.00 N ATOM 865 CA LYS A 55 -7.268 -31.008 7.865 1.00 0.00 C ATOM 866 C LYS A 55 -7.931 -31.192 9.226 1.00 0.00 C ATOM 867 O LYS A 55 -7.944 -30.248 10.006 1.00 0.00 O ATOM 868 CB LYS A 55 -8.375 -30.968 6.802 1.00 0.00 C ATOM 869 CG LYS A 55 -8.386 -29.675 5.983 1.00 0.00 C ATOM 870 CD LYS A 55 -7.232 -29.568 4.972 1.00 0.00 C ATOM 871 CE LYS A 55 -7.736 -29.635 3.526 1.00 0.00 C ATOM 872 NZ LYS A 55 -8.116 -31.006 3.128 1.00 0.00 N ATOM 0 H LYS A 55 -6.429 -32.509 6.658 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.704 -30.075 7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.251 -31.815 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.342 -31.088 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.333 -29.604 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.340 -28.825 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.698 -28.631 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.519 -30.374 5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.596 -28.975 3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.960 -29.266 2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.469 -31.344 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.057 -31.636 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.090 -31.004 2.762 1.00 0.00 H new ATOM 886 N THR A 56 -8.497 -32.375 9.466 1.00 0.00 N ATOM 887 CA THR A 56 -9.158 -32.739 10.726 1.00 0.00 C ATOM 888 C THR A 56 -8.181 -32.769 11.908 1.00 0.00 C ATOM 889 O THR A 56 -8.588 -32.586 13.052 1.00 0.00 O ATOM 890 CB THR A 56 -9.939 -34.063 10.554 1.00 0.00 C ATOM 891 OG1 THR A 56 -11.283 -33.831 10.903 1.00 0.00 O ATOM 892 CG2 THR A 56 -9.459 -35.276 11.352 1.00 0.00 C ATOM 0 H THR A 56 -8.511 -33.126 8.776 1.00 0.00 H new ATOM 0 HA THR A 56 -9.880 -31.960 10.972 1.00 0.00 H new ATOM 0 HB THR A 56 -9.778 -34.333 9.510 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.796 -34.660 10.799 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.098 -36.131 11.133 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.431 -35.511 11.075 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.505 -35.052 12.418 1.00 0.00 H new ATOM 900 N ILE A 57 -6.889 -32.938 11.616 1.00 0.00 N ATOM 901 CA ILE A 57 -5.819 -33.002 12.625 1.00 0.00 C ATOM 902 C ILE A 57 -5.414 -31.603 13.084 1.00 0.00 C ATOM 903 O ILE A 57 -5.682 -31.250 14.236 1.00 0.00 O ATOM 904 CB ILE A 57 -4.646 -33.846 12.082 1.00 0.00 C ATOM 905 CG1 ILE A 57 -5.029 -35.335 12.215 1.00 0.00 C ATOM 906 CG2 ILE A 57 -3.281 -33.585 12.742 1.00 0.00 C ATOM 907 CD1 ILE A 57 -4.351 -36.188 11.147 1.00 0.00 C ATOM 0 H ILE A 57 -6.548 -33.036 10.660 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.182 -33.505 13.522 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.501 -33.548 11.043 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.746 -35.697 13.204 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.111 -35.442 12.134 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.528 -34.229 12.287 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.001 -32.541 12.598 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.346 -33.800 13.809 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.645 -37.230 11.273 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.654 -35.842 10.159 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.269 -36.102 11.245 1.00 0.00 H new ATOM 919 N LEU A 58 -4.849 -30.750 12.211 1.00 0.00 N ATOM 920 CA LEU A 58 -4.417 -29.418 12.662 1.00 0.00 C ATOM 921 C LEU A 58 -5.590 -28.554 13.119 1.00 0.00 C ATOM 922 O LEU A 58 -5.396 -27.649 13.928 1.00 0.00 O ATOM 923 CB LEU A 58 -3.611 -28.657 11.613 1.00 0.00 C ATOM 924 CG LEU A 58 -2.339 -29.401 11.189 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.579 -30.269 9.963 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.220 -28.406 10.909 1.00 0.00 C ATOM 0 H LEU A 58 -4.685 -30.949 11.224 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.764 -29.613 13.512 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.235 -28.484 10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.340 -27.678 12.009 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.048 -30.055 12.011 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.655 -30.780 9.693 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.350 -31.007 10.185 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.904 -29.643 9.132 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.321 -28.944 10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.524 -27.732 10.108 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.013 -27.828 11.810 1.00 0.00 H new ATOM 938 N LYS A 59 -6.806 -28.901 12.685 1.00 0.00 N ATOM 939 CA LYS A 59 -8.061 -28.358 13.243 1.00 0.00 C ATOM 940 C LYS A 59 -8.135 -28.333 14.781 1.00 0.00 C ATOM 941 O LYS A 59 -8.867 -27.507 15.326 1.00 0.00 O ATOM 942 CB LYS A 59 -9.250 -29.150 12.702 1.00 0.00 C ATOM 943 CG LYS A 59 -9.948 -28.464 11.521 1.00 0.00 C ATOM 944 CD LYS A 59 -11.208 -27.695 11.956 1.00 0.00 C ATOM 945 CE LYS A 59 -10.863 -26.489 12.839 1.00 0.00 C ATOM 946 NZ LYS A 59 -12.032 -25.976 13.593 1.00 0.00 N ATOM 0 H LYS A 59 -6.954 -29.572 11.931 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.089 -27.316 12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.909 -30.137 12.390 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.972 -29.301 13.504 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.253 -27.776 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.220 -29.213 10.777 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.750 -27.356 11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.873 -28.365 12.500 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.079 -26.771 13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.460 -25.691 12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.777 -25.085 14.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.821 -25.807 12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.319 -26.676 14.307 1.00 0.00 H new ATOM 960 N ALA A 60 -7.402 -29.229 15.442 1.00 0.00 N ATOM 961 CA ALA A 60 -7.209 -29.294 16.892 1.00 0.00 C ATOM 962 C ALA A 60 -5.720 -29.320 17.324 1.00 0.00 C ATOM 963 O ALA A 60 -5.434 -29.388 18.518 1.00 0.00 O ATOM 964 CB ALA A 60 -7.979 -30.515 17.413 1.00 0.00 C ATOM 0 H ALA A 60 -6.899 -29.970 14.954 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.599 -28.378 17.336 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.854 -30.590 18.493 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.037 -30.406 17.177 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.593 -31.418 16.939 1.00 0.00 H new ATOM 970 N LEU A 61 -4.764 -29.235 16.384 1.00 0.00 N ATOM 971 CA LEU A 61 -3.321 -29.417 16.608 1.00 0.00 C ATOM 972 C LEU A 61 -2.470 -28.250 16.061 1.00 0.00 C ATOM 973 O LEU A 61 -1.450 -28.439 15.402 1.00 0.00 O ATOM 974 CB LEU A 61 -2.893 -30.807 16.085 1.00 0.00 C ATOM 975 CG LEU A 61 -2.101 -31.619 17.131 1.00 0.00 C ATOM 976 CD1 LEU A 61 -1.833 -33.033 16.621 1.00 0.00 C ATOM 977 CD2 LEU A 61 -0.754 -30.989 17.499 1.00 0.00 C ATOM 0 H LEU A 61 -4.984 -29.030 15.409 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.127 -29.392 17.680 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.780 -31.369 15.790 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.283 -30.682 15.190 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.727 -31.632 18.023 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.273 -33.591 17.372 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.781 -33.536 16.427 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.253 -32.984 15.699 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.251 -31.612 18.239 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.133 -30.912 16.607 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.919 -29.995 17.914 1.00 0.00 H new ATOM 989 N GLY A 62 -2.865 -27.015 16.382 1.00 0.00 N ATOM 990 CA GLY A 62 -2.113 -25.790 16.066 1.00 0.00 C ATOM 991 C GLY A 62 -1.440 -25.098 17.264 1.00 0.00 C ATOM 992 O GLY A 62 -1.684 -23.903 17.439 1.00 0.00 O ATOM 0 H GLY A 62 -3.736 -26.831 16.880 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.345 -26.035 15.332 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.791 -25.080 15.593 1.00 0.00 H new ATOM 996 N PRO A 63 -0.590 -25.768 18.078 1.00 0.00 N ATOM 997 CA PRO A 63 0.125 -25.179 19.220 1.00 0.00 C ATOM 998 C PRO A 63 1.326 -24.315 18.773 1.00 0.00 C ATOM 999 O PRO A 63 2.416 -24.414 19.329 1.00 0.00 O ATOM 1000 CB PRO A 63 0.546 -26.390 20.065 1.00 0.00 C ATOM 1001 CG PRO A 63 0.913 -27.407 18.991 1.00 0.00 C ATOM 1002 CD PRO A 63 -0.165 -27.157 17.939 1.00 0.00 C ATOM 0 HA PRO A 63 -0.496 -24.486 19.787 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.389 -26.161 20.716 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.263 -26.744 20.704 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.915 -27.240 18.596 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.885 -28.429 19.369 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.224 -27.342 16.938 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.008 -27.833 18.083 1.00 0.00 H new ATOM 1010 N ALA A 64 1.155 -23.535 17.702 1.00 0.00 N ATOM 1011 CA ALA A 64 2.120 -22.587 17.127 1.00 0.00 C ATOM 1012 C ALA A 64 3.491 -23.133 16.653 1.00 0.00 C ATOM 1013 O ALA A 64 4.233 -22.362 16.057 1.00 0.00 O ATOM 1014 CB ALA A 64 2.264 -21.390 18.081 1.00 0.00 C ATOM 0 H ALA A 64 0.281 -23.548 17.177 1.00 0.00 H new ATOM 0 HA ALA A 64 1.685 -22.291 16.172 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.978 -20.678 17.666 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.296 -20.904 18.204 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.620 -21.738 19.050 1.00 0.00 H new ATOM 1020 N ALA A 65 3.810 -24.420 16.838 1.00 0.00 N ATOM 1021 CA ALA A 65 5.106 -25.004 16.453 1.00 0.00 C ATOM 1022 C ALA A 65 4.957 -26.329 15.693 1.00 0.00 C ATOM 1023 O ALA A 65 5.303 -26.380 14.524 1.00 0.00 O ATOM 1024 CB ALA A 65 5.972 -25.147 17.711 1.00 0.00 C ATOM 0 H ALA A 65 3.172 -25.093 17.263 1.00 0.00 H new ATOM 0 HA ALA A 65 5.600 -24.333 15.750 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.936 -25.579 17.442 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.126 -24.166 18.160 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.470 -25.798 18.426 1.00 0.00 H new ATOM 1030 N THR A 66 4.323 -27.364 16.264 1.00 0.00 N ATOM 1031 CA THR A 66 4.167 -28.688 15.608 1.00 0.00 C ATOM 1032 C THR A 66 3.667 -28.631 14.154 1.00 0.00 C ATOM 1033 O THR A 66 4.031 -29.461 13.332 1.00 0.00 O ATOM 1034 CB THR A 66 3.224 -29.596 16.418 1.00 0.00 C ATOM 1035 OG1 THR A 66 3.429 -29.439 17.807 1.00 0.00 O ATOM 1036 CG2 THR A 66 3.415 -31.079 16.110 1.00 0.00 C ATOM 0 H THR A 66 3.902 -27.316 17.192 1.00 0.00 H new ATOM 0 HA THR A 66 5.176 -29.098 15.580 1.00 0.00 H new ATOM 0 HB THR A 66 2.219 -29.288 16.128 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.816 -30.026 18.297 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.722 -31.668 16.712 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.221 -31.259 15.053 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.439 -31.371 16.345 1.00 0.00 H new ATOM 1044 N LEU A 67 2.860 -27.623 13.809 1.00 0.00 N ATOM 1045 CA LEU A 67 2.410 -27.333 12.444 1.00 0.00 C ATOM 1046 C LEU A 67 3.506 -27.495 11.385 1.00 0.00 C ATOM 1047 O LEU A 67 3.249 -28.107 10.363 1.00 0.00 O ATOM 1048 CB LEU A 67 1.872 -25.907 12.437 1.00 0.00 C ATOM 1049 CG LEU A 67 1.007 -25.444 11.239 1.00 0.00 C ATOM 1050 CD1 LEU A 67 1.098 -23.924 11.213 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.410 -25.965 9.875 1.00 0.00 C ATOM 0 H LEU A 67 2.490 -26.965 14.495 1.00 0.00 H new ATOM 0 HA LEU A 67 1.642 -28.058 12.174 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.281 -25.772 13.343 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.725 -25.232 12.509 1.00 0.00 H new ATOM 0 HG LEU A 67 0.007 -25.846 11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.504 -23.538 10.384 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.717 -23.521 12.151 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.138 -23.624 11.085 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.730 -25.571 9.120 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.427 -25.645 9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.363 -27.054 9.873 1.00 0.00 H new ATOM 1063 N GLU A 68 4.711 -26.990 11.621 1.00 0.00 N ATOM 1064 CA GLU A 68 5.888 -27.178 10.747 1.00 0.00 C ATOM 1065 C GLU A 68 6.015 -28.588 10.147 1.00 0.00 C ATOM 1066 O GLU A 68 6.243 -28.750 8.949 1.00 0.00 O ATOM 1067 CB GLU A 68 7.164 -26.880 11.549 1.00 0.00 C ATOM 1068 CG GLU A 68 7.210 -25.433 12.010 1.00 0.00 C ATOM 1069 CD GLU A 68 8.513 -25.143 12.773 1.00 0.00 C ATOM 1070 OE1 GLU A 68 8.595 -25.571 13.953 1.00 0.00 O ATOM 1071 OE2 GLU A 68 9.418 -24.522 12.166 1.00 0.00 O ATOM 0 H GLU A 68 4.913 -26.422 12.444 1.00 0.00 H new ATOM 0 HA GLU A 68 5.753 -26.490 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.212 -27.540 12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.039 -27.095 10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.133 -24.770 11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.354 -25.224 12.651 1.00 0.00 H new ATOM 1078 N GLU A 69 5.789 -29.614 10.968 1.00 0.00 N ATOM 1079 CA GLU A 69 5.698 -31.001 10.476 1.00 0.00 C ATOM 1080 C GLU A 69 4.353 -31.290 9.772 1.00 0.00 C ATOM 1081 O GLU A 69 4.317 -31.821 8.662 1.00 0.00 O ATOM 1082 CB GLU A 69 6.036 -31.993 11.610 1.00 0.00 C ATOM 1083 CG GLU A 69 4.899 -32.322 12.599 1.00 0.00 C ATOM 1084 CD GLU A 69 4.320 -33.738 12.473 1.00 0.00 C ATOM 1085 OE1 GLU A 69 4.378 -34.311 11.365 1.00 0.00 O ATOM 1086 OE2 GLU A 69 3.753 -34.199 13.492 1.00 0.00 O ATOM 0 H GLU A 69 5.665 -29.518 11.976 1.00 0.00 H new ATOM 0 HA GLU A 69 6.448 -31.142 9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.375 -32.925 11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.875 -31.590 12.177 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.271 -32.187 13.615 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.093 -31.602 12.456 1.00 0.00 H new ATOM 1093 N MET A 70 3.233 -30.833 10.343 1.00 0.00 N ATOM 1094 CA MET A 70 1.857 -31.124 9.899 1.00 0.00 C ATOM 1095 C MET A 70 1.496 -30.503 8.531 1.00 0.00 C ATOM 1096 O MET A 70 0.683 -31.026 7.761 1.00 0.00 O ATOM 1097 CB MET A 70 0.925 -30.711 11.023 1.00 0.00 C ATOM 1098 CG MET A 70 1.322 -31.154 12.427 1.00 0.00 C ATOM 1099 SD MET A 70 -0.012 -31.759 13.482 1.00 0.00 S ATOM 1100 CE MET A 70 0.158 -33.526 13.099 1.00 0.00 C ATOM 0 H MET A 70 3.257 -30.225 11.161 1.00 0.00 H new ATOM 0 HA MET A 70 1.753 -32.192 9.707 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.843 -29.624 11.018 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.068 -31.107 10.807 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.072 -31.940 12.338 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.800 -30.313 12.929 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.587 -34.093 13.657 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.008 -33.683 12.031 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.156 -33.865 13.379 1.00 0.00 H new ATOM 1110 N MET A 71 2.200 -29.423 8.202 1.00 0.00 N ATOM 1111 CA MET A 71 2.287 -28.767 6.898 1.00 0.00 C ATOM 1112 C MET A 71 2.684 -29.784 5.821 1.00 0.00 C ATOM 1113 O MET A 71 2.075 -29.824 4.754 1.00 0.00 O ATOM 1114 CB MET A 71 3.294 -27.600 7.036 1.00 0.00 C ATOM 1115 CG MET A 71 4.045 -27.160 5.772 1.00 0.00 C ATOM 1116 SD MET A 71 5.590 -28.032 5.409 1.00 0.00 S ATOM 1117 CE MET A 71 5.264 -28.656 3.739 1.00 0.00 C ATOM 0 H MET A 71 2.772 -28.944 8.897 1.00 0.00 H new ATOM 0 HA MET A 71 1.325 -28.362 6.583 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.756 -26.736 7.426 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.033 -27.880 7.786 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.377 -27.279 4.919 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.265 -26.096 5.858 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.963 -29.460 3.508 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.244 -29.036 3.685 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.389 -27.848 3.018 1.00 0.00 H new ATOM 1127 N THR A 72 3.674 -30.624 6.119 1.00 0.00 N ATOM 1128 CA THR A 72 4.112 -31.756 5.290 1.00 0.00 C ATOM 1129 C THR A 72 3.280 -33.014 5.497 1.00 0.00 C ATOM 1130 O THR A 72 2.977 -33.672 4.506 1.00 0.00 O ATOM 1131 CB THR A 72 5.549 -32.165 5.635 1.00 0.00 C ATOM 1132 OG1 THR A 72 6.424 -31.066 5.543 1.00 0.00 O ATOM 1133 CG2 THR A 72 6.136 -33.226 4.701 1.00 0.00 C ATOM 0 H THR A 72 4.217 -30.535 6.978 1.00 0.00 H new ATOM 0 HA THR A 72 4.009 -31.398 4.265 1.00 0.00 H new ATOM 0 HB THR A 72 5.473 -32.563 6.647 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.921 -30.235 5.676 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.154 -33.461 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.526 -34.128 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.147 -32.846 3.680 1.00 0.00 H new ATOM 1141 N ALA A 73 2.902 -33.359 6.737 1.00 0.00 N ATOM 1142 CA ALA A 73 2.336 -34.672 7.091 1.00 0.00 C ATOM 1143 C ALA A 73 1.099 -35.055 6.268 1.00 0.00 C ATOM 1144 O ALA A 73 0.828 -36.227 6.021 1.00 0.00 O ATOM 1145 CB ALA A 73 2.025 -34.695 8.590 1.00 0.00 C ATOM 0 H ALA A 73 2.981 -32.727 7.533 1.00 0.00 H new ATOM 0 HA ALA A 73 3.086 -35.424 6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.605 -35.664 8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.942 -34.527 9.154 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.306 -33.910 8.824 1.00 0.00 H new ATOM 1151 N CYS A 74 0.389 -34.043 5.775 1.00 0.00 N ATOM 1152 CA CYS A 74 -0.726 -34.207 4.858 1.00 0.00 C ATOM 1153 C CYS A 74 -0.415 -34.929 3.529 1.00 0.00 C ATOM 1154 O CYS A 74 -1.303 -35.580 2.971 1.00 0.00 O ATOM 1155 CB CYS A 74 -1.311 -32.804 4.621 1.00 0.00 C ATOM 1156 SG CYS A 74 -0.212 -31.714 3.663 1.00 0.00 S ATOM 0 H CYS A 74 0.580 -33.069 6.009 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.441 -34.884 5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.262 -32.899 4.098 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.522 -32.339 5.584 1.00 0.00 H new ATOM 0 HG CYS A 74 0.597 -31.095 4.471 1.00 0.00 H new ATOM 1162 N GLN A 75 0.809 -34.825 3.010 1.00 0.00 N ATOM 1163 CA GLN A 75 1.155 -35.252 1.657 1.00 0.00 C ATOM 1164 C GLN A 75 0.981 -36.767 1.434 1.00 0.00 C ATOM 1165 O GLN A 75 1.648 -37.589 2.058 1.00 0.00 O ATOM 1166 CB GLN A 75 2.548 -34.697 1.297 1.00 0.00 C ATOM 1167 CG GLN A 75 3.752 -35.324 2.019 1.00 0.00 C ATOM 1168 CD GLN A 75 4.510 -36.287 1.120 1.00 0.00 C ATOM 1169 OE1 GLN A 75 5.310 -35.895 0.293 1.00 0.00 O ATOM 1170 NE2 GLN A 75 4.252 -37.569 1.200 1.00 0.00 N ATOM 0 H GLN A 75 1.598 -34.436 3.526 1.00 0.00 H new ATOM 0 HA GLN A 75 0.442 -34.826 0.951 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.695 -34.818 0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.550 -33.626 1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.425 -34.535 2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.408 -35.851 2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.583 -37.913 1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.720 -38.224 0.573 1.00 0.00 H new