USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 666 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 50 THR OG1 : rot -67:sc= -0.401 USER MOD Set 1.2: A 55 SER OG : rot -40:sc= -7.26! USER MOD Set 2.1: A 38 GLN : amide:sc= -2.98 K(o=-11,f=-18!) USER MOD Set 2.2: A 43 SER OG : rot -95:sc= 0.721 USER MOD Set 2.3: A 46 HIS : no HE2:sc= -8.53! C(o=-11!,f=-21!) USER MOD Set 3.1: A 10 THR OG1 : rot 90:sc= -0.366 USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0.0645 USER MOD Single : A 4 THR OG1 : rot 142:sc= 0.00803 USER MOD Single : A 5 LYS NZ :NH3+ -114:sc= 0.138 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 159:sc= -2.75 (180deg=-5.01!) USER MOD Single : A -1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.622 USER MOD Single : A 20 SER OG : rot -11:sc= 0.58! USER MOD Single : A 21 CYS SG : rot -110:sc= 1.19 USER MOD Single : A 23 THR OG1 : rot 15:sc= 1.61 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0962 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0665 USER MOD Single : A 42 THR OG1 : rot 66:sc= 0.641 USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.8! USER MOD Single : A 60 SER OG : rot 177:sc= -0.835 USER MOD Single : A 61 SER OG : rot -74:sc= 0.593 USER MOD Single : A 69 ASN : amide:sc= -4.19! C(o=-4.2!,f=-10!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 178:sc= -2.6! USER MOD Single : A 76 ASN : amide:sc= -5.15! C(o=-5.1!,f=-4.8!) USER MOD Single : A 77 SER OG : rot -97:sc= -0.643 USER MOD Single : A 80 LYS NZ :NH3+ -145:sc= -0.303 (180deg=-1.89!) USER MOD Single : A 81 GLN : amide:sc= -2.34 K(o=-2.3,f=-4.5!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N ALA A -1 18.967 1.107 7.026 1.00 0.00 N ATOM 82 CA ALA A -1 18.410 -0.190 6.538 1.00 0.00 C ATOM 83 C ALA A -1 17.129 0.050 5.720 1.00 0.00 C ATOM 84 O ALA A -1 17.187 0.540 4.610 1.00 0.00 O ATOM 85 CB ALA A -1 18.136 -0.986 7.817 1.00 0.00 C ATOM 0 H1 ALA A -1 19.831 0.929 7.576 1.00 0.00 H new ATOM 0 H2 ALA A -1 19.193 1.715 6.213 1.00 0.00 H new ATOM 0 H3 ALA A -1 18.265 1.582 7.629 1.00 0.00 H new ATOM 0 HA ALA A -1 19.086 -0.724 5.870 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.722 -1.960 7.557 1.00 0.00 H new ATOM 0 HB2 ALA A -1 19.067 -1.122 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.424 -0.443 8.438 1.00 0.00 H new ATOM 91 N ALA A 0 15.978 -0.283 6.249 1.00 0.00 N ATOM 92 CA ALA A 0 14.711 -0.063 5.495 1.00 0.00 C ATOM 93 C ALA A 0 13.560 0.153 6.482 1.00 0.00 C ATOM 94 O ALA A 0 13.224 -0.726 7.250 1.00 0.00 O ATOM 95 CB ALA A 0 14.499 -1.346 4.691 1.00 0.00 C ATOM 0 H ALA A 0 15.864 -0.699 7.173 1.00 0.00 H new ATOM 0 HA ALA A 0 14.753 0.813 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 0 13.583 -1.262 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 0 15.344 -1.499 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 0 14.419 -2.193 5.372 1.00 0.00 H new ATOM 101 N ARG A 1 12.955 1.308 6.478 1.00 0.00 N ATOM 102 CA ARG A 1 11.835 1.552 7.433 1.00 0.00 C ATOM 103 C ARG A 1 10.829 2.543 6.845 1.00 0.00 C ATOM 104 O ARG A 1 10.936 2.954 5.707 1.00 0.00 O ATOM 105 CB ARG A 1 12.500 2.142 8.678 1.00 0.00 C ATOM 106 CG ARG A 1 13.291 3.393 8.292 1.00 0.00 C ATOM 107 CD ARG A 1 13.326 4.361 9.476 1.00 0.00 C ATOM 108 NE ARG A 1 14.645 5.044 9.375 1.00 0.00 N ATOM 109 CZ ARG A 1 15.300 5.362 10.458 1.00 0.00 C ATOM 110 NH1 ARG A 1 14.993 6.451 11.109 1.00 0.00 N ATOM 111 NH2 ARG A 1 16.261 4.592 10.890 1.00 0.00 N ATOM 0 H ARG A 1 13.184 2.088 5.862 1.00 0.00 H new ATOM 0 HA ARG A 1 11.281 0.639 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.744 2.392 9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.163 1.406 9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.306 3.120 8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.832 3.874 7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.506 5.077 9.425 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.228 3.830 10.423 1.00 0.00 H new ATOM 0 HE ARG A 1 15.037 5.263 8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.242 7.053 10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.504 6.700 11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.501 3.741 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.773 4.841 11.737 1.00 0.00 H new ATOM 125 N ILE A 2 9.852 2.930 7.619 1.00 0.00 N ATOM 126 CA ILE A 2 8.838 3.895 7.112 1.00 0.00 C ATOM 127 C ILE A 2 8.834 5.158 7.978 1.00 0.00 C ATOM 128 O ILE A 2 9.170 5.132 9.145 1.00 0.00 O ATOM 129 CB ILE A 2 7.499 3.159 7.206 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.492 2.004 6.201 1.00 0.00 C ATOM 131 CG2 ILE A 2 6.355 4.124 6.881 1.00 0.00 C ATOM 132 CD1 ILE A 2 6.142 1.285 6.243 1.00 0.00 C ATOM 0 H ILE A 2 9.713 2.619 8.580 1.00 0.00 H new ATOM 0 HA ILE A 2 9.045 4.216 6.091 1.00 0.00 H new ATOM 0 HB ILE A 2 7.365 2.772 8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.681 2.383 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.294 1.304 6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.404 3.596 6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.363 4.950 7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.483 4.513 5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.144 0.465 5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.971 0.891 7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.348 1.987 5.989 1.00 0.00 H new ATOM 144 N LEU A 3 8.463 6.262 7.399 1.00 0.00 N ATOM 145 CA LEU A 3 8.436 7.546 8.148 1.00 0.00 C ATOM 146 C LEU A 3 7.013 8.105 8.143 1.00 0.00 C ATOM 147 O LEU A 3 6.529 8.628 9.127 1.00 0.00 O ATOM 148 CB LEU A 3 9.376 8.503 7.381 1.00 0.00 C ATOM 149 CG LEU A 3 10.660 7.812 6.895 1.00 0.00 C ATOM 150 CD1 LEU A 3 11.215 6.855 7.958 1.00 0.00 C ATOM 151 CD2 LEU A 3 10.344 7.046 5.615 1.00 0.00 C ATOM 0 H LEU A 3 8.173 6.330 6.424 1.00 0.00 H new ATOM 0 HA LEU A 3 8.750 7.421 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.845 8.917 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.641 9.340 8.027 1.00 0.00 H new ATOM 0 HG LEU A 3 11.421 8.569 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.123 6.382 7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.444 7.413 8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.473 6.089 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.245 6.549 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.575 6.301 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.985 7.740 4.855 1.00 0.00 H new ATOM 163 N THR A 4 6.347 7.995 7.029 1.00 0.00 N ATOM 164 CA THR A 4 4.951 8.516 6.926 1.00 0.00 C ATOM 165 C THR A 4 4.040 7.478 6.264 1.00 0.00 C ATOM 166 O THR A 4 3.633 7.634 5.134 1.00 0.00 O ATOM 167 CB THR A 4 5.052 9.760 6.039 1.00 0.00 C ATOM 168 OG1 THR A 4 6.323 10.370 6.214 1.00 0.00 O ATOM 169 CG2 THR A 4 3.951 10.751 6.420 1.00 0.00 C ATOM 0 H THR A 4 6.710 7.564 6.178 1.00 0.00 H new ATOM 0 HA THR A 4 4.529 8.739 7.906 1.00 0.00 H new ATOM 0 HB THR A 4 4.933 9.469 4.995 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.648 10.703 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.024 11.636 5.788 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.976 10.284 6.279 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.067 11.040 7.464 1.00 0.00 H new ATOM 177 N LYS A 5 3.717 6.422 6.960 1.00 0.00 N ATOM 178 CA LYS A 5 2.833 5.371 6.381 1.00 0.00 C ATOM 179 C LYS A 5 1.591 5.999 5.728 1.00 0.00 C ATOM 180 O LYS A 5 1.361 7.186 5.852 1.00 0.00 O ATOM 181 CB LYS A 5 2.434 4.514 7.585 1.00 0.00 C ATOM 182 CG LYS A 5 1.795 5.395 8.659 1.00 0.00 C ATOM 183 CD LYS A 5 0.673 4.620 9.350 1.00 0.00 C ATOM 184 CE LYS A 5 0.027 5.500 10.428 1.00 0.00 C ATOM 185 NZ LYS A 5 -0.991 6.341 9.721 1.00 0.00 N ATOM 0 H LYS A 5 4.031 6.241 7.914 1.00 0.00 H new ATOM 0 HA LYS A 5 3.328 4.794 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.734 3.738 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.311 4.009 7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.545 5.699 9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.400 6.306 8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.076 4.315 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.070 3.709 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.440 4.890 11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.773 6.123 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.704 7.340 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.062 6.039 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.916 6.229 10.183 1.00 0.00 H new ATOM 199 N PRO A 6 0.822 5.176 5.054 1.00 0.00 N ATOM 200 CA PRO A 6 -0.405 5.657 4.388 1.00 0.00 C ATOM 201 C PRO A 6 -1.551 5.723 5.399 1.00 0.00 C ATOM 202 O PRO A 6 -1.340 5.663 6.594 1.00 0.00 O ATOM 203 CB PRO A 6 -0.677 4.600 3.317 1.00 0.00 C ATOM 204 CG PRO A 6 -0.003 3.350 3.802 1.00 0.00 C ATOM 205 CD PRO A 6 1.017 3.735 4.853 1.00 0.00 C ATOM 0 HA PRO A 6 -0.306 6.657 3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.747 4.442 3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.279 4.910 2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.737 2.661 4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.482 2.835 2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.859 3.182 5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.031 3.516 4.519 1.00 0.00 H new ATOM 213 N ARG A 7 -2.760 5.845 4.935 1.00 0.00 N ATOM 214 CA ARG A 7 -3.909 5.909 5.878 1.00 0.00 C ATOM 215 C ARG A 7 -5.052 5.033 5.368 1.00 0.00 C ATOM 216 O ARG A 7 -4.944 4.386 4.346 1.00 0.00 O ATOM 217 CB ARG A 7 -4.324 7.380 5.901 1.00 0.00 C ATOM 218 CG ARG A 7 -4.800 7.805 4.511 1.00 0.00 C ATOM 219 CD ARG A 7 -4.878 9.330 4.444 1.00 0.00 C ATOM 220 NE ARG A 7 -6.333 9.642 4.478 1.00 0.00 N ATOM 221 CZ ARG A 7 -6.896 10.004 5.598 1.00 0.00 C ATOM 222 NH1 ARG A 7 -6.609 11.160 6.129 1.00 0.00 N ATOM 223 NH2 ARG A 7 -7.744 9.209 6.188 1.00 0.00 N ATOM 0 H ARG A 7 -3.003 5.903 3.946 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.651 5.548 6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.120 7.532 6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.483 8.000 6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.115 7.431 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.777 7.371 4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.356 9.789 5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.414 9.710 3.534 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.890 9.573 3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.944 11.782 5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.049 11.442 7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.967 8.304 5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.184 9.492 7.064 1.00 0.00 H new ATOM 237 N SER A 8 -6.148 5.010 6.068 1.00 0.00 N ATOM 238 CA SER A 8 -7.296 4.178 5.617 1.00 0.00 C ATOM 239 C SER A 8 -8.387 5.078 5.042 1.00 0.00 C ATOM 240 O SER A 8 -8.300 6.288 5.099 1.00 0.00 O ATOM 241 CB SER A 8 -7.806 3.455 6.865 1.00 0.00 C ATOM 242 OG SER A 8 -6.812 3.479 7.883 1.00 0.00 O ATOM 0 H SER A 8 -6.300 5.530 6.932 1.00 0.00 H new ATOM 0 HA SER A 8 -7.007 3.470 4.840 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.718 3.932 7.224 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.061 2.424 6.619 1.00 0.00 H new ATOM 0 HG SER A 8 -7.147 3.016 8.679 1.00 0.00 H new ATOM 248 N MET A 9 -9.410 4.499 4.489 1.00 0.00 N ATOM 249 CA MET A 9 -10.504 5.317 3.907 1.00 0.00 C ATOM 250 C MET A 9 -11.768 4.468 3.763 1.00 0.00 C ATOM 251 O MET A 9 -11.812 3.325 4.174 1.00 0.00 O ATOM 252 CB MET A 9 -9.980 5.735 2.539 1.00 0.00 C ATOM 253 CG MET A 9 -10.060 7.253 2.395 1.00 0.00 C ATOM 254 SD MET A 9 -9.771 7.719 0.671 1.00 0.00 S ATOM 255 CE MET A 9 -11.120 6.754 -0.053 1.00 0.00 C ATOM 0 H MET A 9 -9.537 3.490 4.414 1.00 0.00 H new ATOM 0 HA MET A 9 -10.766 6.175 4.526 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.949 5.403 2.418 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.564 5.255 1.754 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.039 7.607 2.718 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.320 7.728 3.039 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.374 7.161 -1.032 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.807 5.716 -0.161 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.993 6.804 0.598 1.00 0.00 H new ATOM 265 N THR A 10 -12.796 5.015 3.181 1.00 0.00 N ATOM 266 CA THR A 10 -14.055 4.230 3.014 1.00 0.00 C ATOM 267 C THR A 10 -14.829 4.700 1.782 1.00 0.00 C ATOM 268 O THR A 10 -15.110 5.871 1.621 1.00 0.00 O ATOM 269 CB THR A 10 -14.859 4.498 4.286 1.00 0.00 C ATOM 270 OG1 THR A 10 -14.117 4.056 5.413 1.00 0.00 O ATOM 271 CG2 THR A 10 -16.189 3.745 4.221 1.00 0.00 C ATOM 0 H THR A 10 -12.823 5.966 2.814 1.00 0.00 H new ATOM 0 HA THR A 10 -13.856 3.168 2.868 1.00 0.00 H new ATOM 0 HB THR A 10 -15.055 5.567 4.374 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.555 4.788 5.742 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.761 3.937 5.129 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.758 4.085 3.355 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.998 2.676 4.132 1.00 0.00 H new ATOM 279 N VAL A 11 -15.178 3.792 0.916 1.00 0.00 N ATOM 280 CA VAL A 11 -15.936 4.175 -0.301 1.00 0.00 C ATOM 281 C VAL A 11 -16.911 3.060 -0.683 1.00 0.00 C ATOM 282 O VAL A 11 -17.215 2.185 0.102 1.00 0.00 O ATOM 283 CB VAL A 11 -14.872 4.329 -1.378 1.00 0.00 C ATOM 284 CG1 VAL A 11 -13.887 5.431 -0.990 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.119 3.011 -1.530 1.00 0.00 C ATOM 0 H VAL A 11 -14.969 2.797 1.001 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.523 5.083 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.352 4.596 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.130 5.533 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.422 6.374 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.406 5.173 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.355 3.115 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.646 2.751 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.817 2.224 -1.815 1.00 0.00 H new ATOM 295 N TYR A 12 -17.378 3.077 -1.899 1.00 0.00 N ATOM 296 CA TYR A 12 -18.304 2.010 -2.371 1.00 0.00 C ATOM 297 C TYR A 12 -17.500 1.020 -3.222 1.00 0.00 C ATOM 298 O TYR A 12 -17.808 -0.152 -3.310 1.00 0.00 O ATOM 299 CB TYR A 12 -19.341 2.745 -3.222 1.00 0.00 C ATOM 300 CG TYR A 12 -20.731 2.260 -2.878 1.00 0.00 C ATOM 301 CD1 TYR A 12 -21.121 2.129 -1.539 1.00 0.00 C ATOM 302 CD2 TYR A 12 -21.633 1.952 -3.902 1.00 0.00 C ATOM 303 CE1 TYR A 12 -22.413 1.688 -1.227 1.00 0.00 C ATOM 304 CE2 TYR A 12 -22.926 1.517 -3.592 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.316 1.383 -2.254 1.00 0.00 C ATOM 306 OH TYR A 12 -24.593 0.960 -1.947 1.00 0.00 O ATOM 0 H TYR A 12 -17.156 3.791 -2.593 1.00 0.00 H new ATOM 0 HA TYR A 12 -18.779 1.451 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.269 3.819 -3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.140 2.577 -4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -20.426 2.368 -0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -21.331 2.050 -4.934 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -22.713 1.583 -0.195 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.623 1.285 -4.384 1.00 0.00 H new ATOM 0 HH TYR A 12 -25.090 0.792 -2.775 1.00 0.00 H new ATOM 316 N GLU A 13 -16.454 1.509 -3.831 1.00 0.00 N ATOM 317 CA GLU A 13 -15.571 0.660 -4.675 1.00 0.00 C ATOM 318 C GLU A 13 -14.222 1.386 -4.801 1.00 0.00 C ATOM 319 O GLU A 13 -13.622 1.740 -3.807 1.00 0.00 O ATOM 320 CB GLU A 13 -16.296 0.551 -6.021 1.00 0.00 C ATOM 321 CG GLU A 13 -16.544 1.953 -6.585 1.00 0.00 C ATOM 322 CD GLU A 13 -16.437 1.916 -8.110 1.00 0.00 C ATOM 323 OE1 GLU A 13 -15.480 1.340 -8.603 1.00 0.00 O ATOM 324 OE2 GLU A 13 -17.311 2.466 -8.759 1.00 0.00 O ATOM 0 H GLU A 13 -16.169 2.487 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.378 -0.335 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.699 -0.033 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.243 0.026 -5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.531 2.307 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.817 2.655 -6.176 1.00 0.00 H new ATOM 331 N GLY A 14 -13.749 1.650 -5.988 1.00 0.00 N ATOM 332 CA GLY A 14 -12.466 2.395 -6.114 1.00 0.00 C ATOM 333 C GLY A 14 -12.799 3.854 -6.427 1.00 0.00 C ATOM 334 O GLY A 14 -12.279 4.440 -7.355 1.00 0.00 O ATOM 0 H GLY A 14 -14.191 1.385 -6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.891 2.324 -5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.852 1.966 -6.905 1.00 0.00 H new ATOM 338 N GLU A 15 -13.682 4.434 -5.659 1.00 0.00 N ATOM 339 CA GLU A 15 -14.083 5.849 -5.903 1.00 0.00 C ATOM 340 C GLU A 15 -12.860 6.760 -5.925 1.00 0.00 C ATOM 341 O GLU A 15 -12.639 7.504 -6.860 1.00 0.00 O ATOM 342 CB GLU A 15 -14.993 6.203 -4.727 1.00 0.00 C ATOM 343 CG GLU A 15 -16.096 7.150 -5.199 1.00 0.00 C ATOM 344 CD GLU A 15 -15.565 8.586 -5.202 1.00 0.00 C ATOM 345 OE1 GLU A 15 -15.628 9.221 -4.163 1.00 0.00 O ATOM 346 OE2 GLU A 15 -15.102 9.023 -6.241 1.00 0.00 O ATOM 0 H GLU A 15 -14.145 3.985 -4.869 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.581 5.975 -6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.432 5.297 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.412 6.672 -3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.427 6.871 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.963 7.072 -4.543 1.00 0.00 H new ATOM 353 N SER A 16 -12.071 6.710 -4.899 1.00 0.00 N ATOM 354 CA SER A 16 -10.859 7.576 -4.848 1.00 0.00 C ATOM 355 C SER A 16 -10.046 7.267 -3.591 1.00 0.00 C ATOM 356 O SER A 16 -9.788 8.132 -2.780 1.00 0.00 O ATOM 357 CB SER A 16 -11.380 9.017 -4.813 1.00 0.00 C ATOM 358 OG SER A 16 -12.747 9.030 -4.411 1.00 0.00 O ATOM 0 H SER A 16 -12.208 6.107 -4.088 1.00 0.00 H new ATOM 0 HA SER A 16 -10.204 7.410 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.783 9.612 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.277 9.474 -5.797 1.00 0.00 H new ATOM 0 HG SER A 16 -13.073 9.954 -4.390 1.00 0.00 H new ATOM 364 N ALA A 17 -9.639 6.039 -3.429 1.00 0.00 N ATOM 365 CA ALA A 17 -8.837 5.672 -2.230 1.00 0.00 C ATOM 366 C ALA A 17 -7.350 5.871 -2.526 1.00 0.00 C ATOM 367 O ALA A 17 -6.623 4.927 -2.760 1.00 0.00 O ATOM 368 CB ALA A 17 -9.142 4.195 -1.984 1.00 0.00 C ATOM 0 H ALA A 17 -9.828 5.273 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.080 6.284 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.586 3.849 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.210 4.069 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.848 3.612 -2.857 1.00 0.00 H new ATOM 374 N ARG A 18 -6.898 7.095 -2.526 1.00 0.00 N ATOM 375 CA ARG A 18 -5.461 7.363 -2.818 1.00 0.00 C ATOM 376 C ARG A 18 -4.639 7.335 -1.527 1.00 0.00 C ATOM 377 O ARG A 18 -5.085 7.769 -0.485 1.00 0.00 O ATOM 378 CB ARG A 18 -5.438 8.762 -3.435 1.00 0.00 C ATOM 379 CG ARG A 18 -5.806 8.676 -4.917 1.00 0.00 C ATOM 380 CD ARG A 18 -5.754 10.075 -5.539 1.00 0.00 C ATOM 381 NE ARG A 18 -5.848 9.847 -7.007 1.00 0.00 N ATOM 382 CZ ARG A 18 -7.000 9.562 -7.550 1.00 0.00 C ATOM 383 NH1 ARG A 18 -7.503 8.364 -7.420 1.00 0.00 N ATOM 384 NH2 ARG A 18 -7.649 10.473 -8.221 1.00 0.00 N ATOM 0 H ARG A 18 -7.463 7.923 -2.336 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.030 6.614 -3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.140 9.412 -2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.448 9.204 -3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.116 8.010 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.804 8.253 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.576 10.696 -5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.829 10.589 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.012 9.913 -7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.996 7.652 -6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.403 8.140 -7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.256 11.409 -8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.549 10.249 -8.645 1.00 0.00 H new ATOM 398 N PHE A 19 -3.441 6.821 -1.592 1.00 0.00 N ATOM 399 CA PHE A 19 -2.588 6.758 -0.362 1.00 0.00 C ATOM 400 C PHE A 19 -1.121 7.009 -0.694 1.00 0.00 C ATOM 401 O PHE A 19 -0.693 6.874 -1.822 1.00 0.00 O ATOM 402 CB PHE A 19 -2.747 5.334 0.169 1.00 0.00 C ATOM 403 CG PHE A 19 -4.203 5.050 0.376 1.00 0.00 C ATOM 404 CD1 PHE A 19 -4.924 5.794 1.309 1.00 0.00 C ATOM 405 CD2 PHE A 19 -4.834 4.056 -0.376 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.284 5.550 1.493 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.195 3.807 -0.192 1.00 0.00 C ATOM 408 CZ PHE A 19 -6.921 4.556 0.743 1.00 0.00 C ATOM 0 H PHE A 19 -3.014 6.443 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.890 7.516 0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.321 4.620 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.204 5.219 1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.429 6.559 1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.271 3.482 -1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.845 6.127 2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.687 3.038 -0.769 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.975 4.366 0.885 1.00 0.00 H new ATOM 418 N SER A 20 -0.344 7.354 0.289 1.00 0.00 N ATOM 419 CA SER A 20 1.101 7.583 0.040 1.00 0.00 C ATOM 420 C SER A 20 1.907 7.302 1.304 1.00 0.00 C ATOM 421 O SER A 20 1.708 7.911 2.337 1.00 0.00 O ATOM 422 CB SER A 20 1.223 9.048 -0.377 1.00 0.00 C ATOM 423 OG SER A 20 1.292 9.868 0.781 1.00 0.00 O ATOM 0 H SER A 20 -0.647 7.487 1.254 1.00 0.00 H new ATOM 0 HA SER A 20 1.491 6.921 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.114 9.190 -0.989 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.367 9.335 -0.988 1.00 0.00 H new ATOM 0 HG SER A 20 1.072 9.335 1.573 1.00 0.00 H new ATOM 429 N CYS A 21 2.822 6.386 1.225 1.00 0.00 N ATOM 430 CA CYS A 21 3.654 6.067 2.408 1.00 0.00 C ATOM 431 C CYS A 21 5.115 6.363 2.087 1.00 0.00 C ATOM 432 O CYS A 21 5.661 5.854 1.134 1.00 0.00 O ATOM 433 CB CYS A 21 3.434 4.574 2.653 1.00 0.00 C ATOM 434 SG CYS A 21 3.925 3.627 1.189 1.00 0.00 S ATOM 0 H CYS A 21 3.030 5.842 0.388 1.00 0.00 H new ATOM 0 HA CYS A 21 3.392 6.655 3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.014 4.250 3.517 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.385 4.386 2.883 1.00 0.00 H new ATOM 0 HG CYS A 21 2.867 3.131 0.618 1.00 0.00 H new ATOM 440 N ASP A 22 5.760 7.181 2.864 1.00 0.00 N ATOM 441 CA ASP A 22 7.181 7.490 2.574 1.00 0.00 C ATOM 442 C ASP A 22 8.054 6.480 3.299 1.00 0.00 C ATOM 443 O ASP A 22 7.802 6.147 4.432 1.00 0.00 O ATOM 444 CB ASP A 22 7.413 8.899 3.117 1.00 0.00 C ATOM 445 CG ASP A 22 6.333 9.853 2.588 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.565 9.435 1.736 1.00 0.00 O ATOM 447 OD2 ASP A 22 6.295 10.982 3.045 1.00 0.00 O ATOM 0 H ASP A 22 5.367 7.646 3.682 1.00 0.00 H new ATOM 0 HA ASP A 22 7.420 7.439 1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.394 8.885 4.207 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.400 9.254 2.820 1.00 0.00 H new ATOM 452 N THR A 23 9.069 5.985 2.661 1.00 0.00 N ATOM 453 CA THR A 23 9.943 4.993 3.339 1.00 0.00 C ATOM 454 C THR A 23 11.405 5.278 3.031 1.00 0.00 C ATOM 455 O THR A 23 11.802 5.372 1.892 1.00 0.00 O ATOM 456 CB THR A 23 9.552 3.634 2.778 1.00 0.00 C ATOM 457 OG1 THR A 23 9.880 3.577 1.397 1.00 0.00 O ATOM 458 CG2 THR A 23 8.051 3.409 2.960 1.00 0.00 C ATOM 0 H THR A 23 9.333 6.221 1.704 1.00 0.00 H new ATOM 0 HA THR A 23 9.821 5.033 4.421 1.00 0.00 H new ATOM 0 HB THR A 23 10.097 2.855 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.489 4.312 1.175 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.778 2.434 2.556 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.804 3.445 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.500 4.188 2.433 1.00 0.00 H new ATOM 466 N ASP A 24 12.212 5.401 4.039 1.00 0.00 N ATOM 467 CA ASP A 24 13.662 5.663 3.795 1.00 0.00 C ATOM 468 C ASP A 24 14.417 4.336 3.720 1.00 0.00 C ATOM 469 O ASP A 24 14.058 3.371 4.365 1.00 0.00 O ATOM 470 CB ASP A 24 14.137 6.476 4.994 1.00 0.00 C ATOM 471 CG ASP A 24 13.455 7.846 4.995 1.00 0.00 C ATOM 472 OD1 ASP A 24 12.911 8.219 3.968 1.00 0.00 O ATOM 473 OD2 ASP A 24 13.486 8.499 6.026 1.00 0.00 O ATOM 0 H ASP A 24 11.939 5.333 5.019 1.00 0.00 H new ATOM 0 HA ASP A 24 13.834 6.194 2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.909 5.945 5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.219 6.599 4.956 1.00 0.00 H new ATOM 478 N GLY A 25 15.457 4.278 2.937 1.00 0.00 N ATOM 479 CA GLY A 25 16.233 3.009 2.820 1.00 0.00 C ATOM 480 C GLY A 25 17.395 3.207 1.846 1.00 0.00 C ATOM 481 O GLY A 25 17.368 4.080 1.001 1.00 0.00 O ATOM 0 H GLY A 25 15.805 5.053 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.611 2.711 3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.585 2.205 2.470 1.00 0.00 H new ATOM 485 N GLU A 26 18.419 2.406 1.958 1.00 0.00 N ATOM 486 CA GLU A 26 19.584 2.554 1.038 1.00 0.00 C ATOM 487 C GLU A 26 19.795 1.264 0.214 1.00 0.00 C ATOM 488 O GLU A 26 19.752 0.186 0.768 1.00 0.00 O ATOM 489 CB GLU A 26 20.783 2.813 1.956 1.00 0.00 C ATOM 490 CG GLU A 26 21.152 1.539 2.726 1.00 0.00 C ATOM 491 CD GLU A 26 22.120 0.699 1.889 1.00 0.00 C ATOM 492 OE1 GLU A 26 23.108 1.251 1.434 1.00 0.00 O ATOM 493 OE2 GLU A 26 21.859 -0.481 1.719 1.00 0.00 O ATOM 0 H GLU A 26 18.500 1.657 2.645 1.00 0.00 H new ATOM 0 HA GLU A 26 19.438 3.360 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 26 21.636 3.148 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.546 3.613 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.610 1.798 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 26 20.254 0.963 2.949 1.00 0.00 H new ATOM 500 N PRO A 27 20.037 1.397 -1.079 1.00 0.00 N ATOM 501 CA PRO A 27 20.086 2.724 -1.749 1.00 0.00 C ATOM 502 C PRO A 27 18.661 3.235 -1.926 1.00 0.00 C ATOM 503 O PRO A 27 18.368 4.400 -1.748 1.00 0.00 O ATOM 504 CB PRO A 27 20.734 2.429 -3.097 1.00 0.00 C ATOM 505 CG PRO A 27 20.446 0.986 -3.359 1.00 0.00 C ATOM 506 CD PRO A 27 20.308 0.304 -2.020 1.00 0.00 C ATOM 0 HA PRO A 27 20.635 3.483 -1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.319 3.063 -3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 27 21.807 2.618 -3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.531 0.877 -3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.250 0.533 -3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.497 -0.424 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.217 -0.234 -1.753 1.00 0.00 H new ATOM 514 N VAL A 28 17.781 2.345 -2.265 1.00 0.00 N ATOM 515 CA VAL A 28 16.358 2.707 -2.457 1.00 0.00 C ATOM 516 C VAL A 28 15.469 1.605 -1.857 1.00 0.00 C ATOM 517 O VAL A 28 15.653 0.444 -2.161 1.00 0.00 O ATOM 518 CB VAL A 28 16.179 2.764 -3.969 1.00 0.00 C ATOM 519 CG1 VAL A 28 14.740 3.138 -4.284 1.00 0.00 C ATOM 520 CG2 VAL A 28 17.121 3.813 -4.565 1.00 0.00 C ATOM 0 H VAL A 28 17.993 1.360 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 28 16.088 3.647 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 28 16.412 1.790 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.603 3.181 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.069 2.389 -3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.514 4.112 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.988 3.849 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.894 4.790 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.153 3.548 -4.335 1.00 0.00 H new ATOM 530 N PRO A 29 14.535 1.995 -1.027 1.00 0.00 N ATOM 531 CA PRO A 29 13.631 1.003 -0.401 1.00 0.00 C ATOM 532 C PRO A 29 12.595 0.518 -1.418 1.00 0.00 C ATOM 533 O PRO A 29 12.433 1.093 -2.476 1.00 0.00 O ATOM 534 CB PRO A 29 12.960 1.785 0.721 1.00 0.00 C ATOM 535 CG PRO A 29 13.031 3.216 0.303 1.00 0.00 C ATOM 536 CD PRO A 29 14.229 3.363 -0.600 1.00 0.00 C ATOM 0 HA PRO A 29 14.151 0.115 -0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.927 1.467 0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.471 1.627 1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.120 3.509 -0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.124 3.866 1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.007 4.005 -1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.071 3.812 -0.073 1.00 0.00 H new ATOM 544 N THR A 30 11.893 -0.530 -1.104 1.00 0.00 N ATOM 545 CA THR A 30 10.862 -1.051 -2.050 1.00 0.00 C ATOM 546 C THR A 30 9.487 -1.028 -1.380 1.00 0.00 C ATOM 547 O THR A 30 9.343 -0.568 -0.264 1.00 0.00 O ATOM 548 CB THR A 30 11.293 -2.488 -2.364 1.00 0.00 C ATOM 549 OG1 THR A 30 10.424 -3.041 -3.350 1.00 0.00 O ATOM 550 CG2 THR A 30 11.241 -3.335 -1.089 1.00 0.00 C ATOM 0 H THR A 30 11.985 -1.052 -0.233 1.00 0.00 H new ATOM 0 HA THR A 30 10.786 -0.451 -2.957 1.00 0.00 H new ATOM 0 HB THR A 30 12.314 -2.484 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.701 -3.959 -3.552 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.548 -4.356 -1.317 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.914 -2.912 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.224 -3.341 -0.698 1.00 0.00 H new ATOM 558 N VAL A 31 8.473 -1.515 -2.043 1.00 0.00 N ATOM 559 CA VAL A 31 7.122 -1.509 -1.417 1.00 0.00 C ATOM 560 C VAL A 31 6.303 -2.724 -1.856 1.00 0.00 C ATOM 561 O VAL A 31 6.341 -3.134 -2.999 1.00 0.00 O ATOM 562 CB VAL A 31 6.458 -0.191 -1.884 1.00 0.00 C ATOM 563 CG1 VAL A 31 5.571 -0.408 -3.121 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.584 0.348 -0.759 1.00 0.00 C ATOM 0 H VAL A 31 8.521 -1.913 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 31 7.183 -1.566 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 31 7.251 0.511 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.123 0.540 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.177 -0.795 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.783 -1.123 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.112 1.277 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.815 -0.384 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.199 0.538 0.121 1.00 0.00 H new ATOM 574 N THR A 32 5.518 -3.255 -0.972 1.00 0.00 N ATOM 575 CA THR A 32 4.645 -4.385 -1.351 1.00 0.00 C ATOM 576 C THR A 32 3.347 -4.253 -0.578 1.00 0.00 C ATOM 577 O THR A 32 3.297 -4.457 0.607 1.00 0.00 O ATOM 578 CB THR A 32 5.384 -5.660 -0.961 1.00 0.00 C ATOM 579 OG1 THR A 32 6.670 -5.666 -1.566 1.00 0.00 O ATOM 580 CG2 THR A 32 4.579 -6.874 -1.437 1.00 0.00 C ATOM 0 H THR A 32 5.444 -2.953 -0.000 1.00 0.00 H new ATOM 0 HA THR A 32 4.416 -4.401 -2.417 1.00 0.00 H new ATOM 0 HB THR A 32 5.499 -5.704 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.146 -6.485 -1.314 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.103 -7.789 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.595 -6.864 -0.969 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.466 -6.834 -2.520 1.00 0.00 H new ATOM 588 N TRP A 33 2.303 -3.898 -1.241 1.00 0.00 N ATOM 589 CA TRP A 33 1.004 -3.725 -0.541 1.00 0.00 C ATOM 590 C TRP A 33 0.276 -5.066 -0.499 1.00 0.00 C ATOM 591 O TRP A 33 -0.110 -5.598 -1.511 1.00 0.00 O ATOM 592 CB TRP A 33 0.249 -2.716 -1.393 1.00 0.00 C ATOM 593 CG TRP A 33 1.020 -1.443 -1.484 1.00 0.00 C ATOM 594 CD1 TRP A 33 2.076 -1.247 -2.289 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.809 -0.196 -0.774 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.538 0.049 -2.125 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.785 0.738 -1.194 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.126 0.204 0.183 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.826 2.034 -0.677 1.00 0.00 C ATOM 600 CZ3 TRP A 33 -0.092 1.506 0.712 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.886 2.420 0.280 1.00 0.00 C ATOM 0 H TRP A 33 2.284 -3.717 -2.245 1.00 0.00 H new ATOM 0 HA TRP A 33 1.106 -3.385 0.489 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.084 -3.122 -2.391 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.733 -2.525 -0.960 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.498 -1.982 -2.958 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.333 0.444 -2.628 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.881 -0.492 0.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.578 2.732 -1.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.819 1.805 1.452 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.910 3.420 0.688 1.00 0.00 H new ATOM 612 N LEU A 34 0.107 -5.626 0.664 1.00 0.00 N ATOM 613 CA LEU A 34 -0.586 -6.949 0.759 1.00 0.00 C ATOM 614 C LEU A 34 -1.229 -7.120 2.133 1.00 0.00 C ATOM 615 O LEU A 34 -0.816 -6.506 3.098 1.00 0.00 O ATOM 616 CB LEU A 34 0.509 -7.995 0.545 1.00 0.00 C ATOM 617 CG LEU A 34 1.571 -7.861 1.633 1.00 0.00 C ATOM 618 CD1 LEU A 34 2.045 -9.252 2.058 1.00 0.00 C ATOM 619 CD2 LEU A 34 2.753 -7.062 1.087 1.00 0.00 C ATOM 0 H LEU A 34 0.415 -5.231 1.552 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.386 -7.042 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.078 -8.996 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.963 -7.864 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 34 1.149 -7.345 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.803 -9.156 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.200 -9.822 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.470 -9.770 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.514 -6.964 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.176 -7.580 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.414 -6.071 0.784 1.00 0.00 H new ATOM 631 N ARG A 35 -2.232 -7.948 2.240 1.00 0.00 N ATOM 632 CA ARG A 35 -2.875 -8.140 3.557 1.00 0.00 C ATOM 633 C ARG A 35 -3.669 -9.445 3.583 1.00 0.00 C ATOM 634 O ARG A 35 -3.634 -10.195 4.538 1.00 0.00 O ATOM 635 CB ARG A 35 -3.798 -6.949 3.685 1.00 0.00 C ATOM 636 CG ARG A 35 -4.125 -6.730 5.155 1.00 0.00 C ATOM 637 CD ARG A 35 -5.372 -7.533 5.526 1.00 0.00 C ATOM 638 NE ARG A 35 -5.240 -7.798 6.986 1.00 0.00 N ATOM 639 CZ ARG A 35 -4.353 -8.653 7.417 1.00 0.00 C ATOM 640 NH1 ARG A 35 -4.564 -9.934 7.294 1.00 0.00 N ATOM 641 NH2 ARG A 35 -3.253 -8.224 7.975 1.00 0.00 N ATOM 0 H ARG A 35 -2.627 -8.494 1.474 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.156 -8.205 4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.325 -6.060 3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.713 -7.119 3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.283 -7.038 5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.292 -5.670 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.281 -6.973 5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.426 -8.463 4.959 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.843 -7.311 7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.424 -10.270 6.860 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.869 -10.600 7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.088 -7.222 8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.559 -8.891 8.312 1.00 0.00 H new ATOM 655 N LYS A 36 -4.387 -9.710 2.530 1.00 0.00 N ATOM 656 CA LYS A 36 -5.210 -10.960 2.453 1.00 0.00 C ATOM 657 C LYS A 36 -5.986 -11.014 1.130 1.00 0.00 C ATOM 658 O LYS A 36 -6.353 -12.075 0.663 1.00 0.00 O ATOM 659 CB LYS A 36 -6.191 -10.891 3.628 1.00 0.00 C ATOM 660 CG LYS A 36 -6.385 -12.290 4.215 1.00 0.00 C ATOM 661 CD LYS A 36 -7.631 -12.303 5.103 1.00 0.00 C ATOM 662 CE LYS A 36 -7.314 -13.018 6.419 1.00 0.00 C ATOM 663 NZ LYS A 36 -8.382 -14.045 6.564 1.00 0.00 N ATOM 0 H LYS A 36 -4.443 -9.110 1.707 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.581 -11.849 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.811 -10.214 4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.148 -10.490 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.489 -13.021 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.508 -12.577 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.960 -11.283 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.450 -12.808 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.326 -13.477 6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.319 -12.322 7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.234 -14.578 7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.311 -13.578 6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.349 -14.697 5.755 1.00 0.00 H new ATOM 677 N GLY A 37 -6.256 -9.881 0.530 1.00 0.00 N ATOM 678 CA GLY A 37 -7.019 -9.869 -0.749 1.00 0.00 C ATOM 679 C GLY A 37 -6.087 -10.118 -1.944 1.00 0.00 C ATOM 680 O GLY A 37 -6.201 -9.468 -2.965 1.00 0.00 O ATOM 0 H GLY A 37 -5.978 -8.962 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.795 -10.634 -0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.522 -8.909 -0.868 1.00 0.00 H new ATOM 684 N GLN A 38 -5.166 -11.045 -1.833 1.00 0.00 N ATOM 685 CA GLN A 38 -4.235 -11.322 -2.970 1.00 0.00 C ATOM 686 C GLN A 38 -3.444 -10.062 -3.297 1.00 0.00 C ATOM 687 O GLN A 38 -3.661 -9.427 -4.309 1.00 0.00 O ATOM 688 CB GLN A 38 -5.124 -11.732 -4.150 1.00 0.00 C ATOM 689 CG GLN A 38 -4.252 -12.292 -5.278 1.00 0.00 C ATOM 690 CD GLN A 38 -4.197 -11.291 -6.437 1.00 0.00 C ATOM 691 OE1 GLN A 38 -4.899 -10.300 -6.437 1.00 0.00 O ATOM 692 NE2 GLN A 38 -3.388 -11.514 -7.438 1.00 0.00 N ATOM 0 H GLN A 38 -5.020 -11.621 -1.004 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.516 -12.106 -2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.848 -12.481 -3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.691 -10.873 -4.507 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.246 -12.490 -4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.657 -13.243 -5.625 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.797 -12.345 -7.441 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.347 -10.857 -8.217 1.00 0.00 H new ATOM 701 N VAL A 39 -2.542 -9.703 -2.421 1.00 0.00 N ATOM 702 CA VAL A 39 -1.707 -8.477 -2.607 1.00 0.00 C ATOM 703 C VAL A 39 -2.548 -7.297 -3.115 1.00 0.00 C ATOM 704 O VAL A 39 -3.759 -7.353 -3.196 1.00 0.00 O ATOM 705 CB VAL A 39 -0.590 -8.848 -3.599 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.092 -10.140 -3.143 1.00 0.00 C ATOM 707 CG2 VAL A 39 -1.162 -9.046 -5.004 1.00 0.00 C ATOM 0 H VAL A 39 -2.344 -10.220 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.282 -8.151 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 39 0.136 -8.035 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.883 -10.402 -3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.521 -9.994 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.642 -10.945 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.357 -9.308 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.900 -9.848 -4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.637 -8.123 -5.337 1.00 0.00 H new ATOM 717 N LEU A 40 -1.894 -6.218 -3.418 1.00 0.00 N ATOM 718 CA LEU A 40 -2.600 -4.989 -3.892 1.00 0.00 C ATOM 719 C LEU A 40 -1.904 -4.463 -5.151 1.00 0.00 C ATOM 720 O LEU A 40 -2.509 -3.860 -6.009 1.00 0.00 O ATOM 721 CB LEU A 40 -2.430 -3.976 -2.753 1.00 0.00 C ATOM 722 CG LEU A 40 -3.473 -4.183 -1.649 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.239 -5.523 -0.967 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.315 -3.082 -0.600 1.00 0.00 C ATOM 0 H LEU A 40 -0.880 -6.128 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.647 -5.172 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.430 -4.068 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.516 -2.964 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.470 -4.156 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.982 -5.667 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.326 -6.325 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.241 -5.539 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.054 -3.222 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.314 -3.128 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.465 -2.109 -1.068 1.00 0.00 H new ATOM 736 N SER A 41 -0.622 -4.677 -5.245 1.00 0.00 N ATOM 737 CA SER A 41 0.151 -4.188 -6.420 1.00 0.00 C ATOM 738 C SER A 41 -0.539 -4.551 -7.737 1.00 0.00 C ATOM 739 O SER A 41 -0.302 -5.599 -8.303 1.00 0.00 O ATOM 740 CB SER A 41 1.506 -4.885 -6.315 1.00 0.00 C ATOM 741 OG SER A 41 1.957 -4.834 -4.967 1.00 0.00 O ATOM 0 H SER A 41 -0.070 -5.177 -4.548 1.00 0.00 H new ATOM 0 HA SER A 41 0.239 -3.102 -6.417 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.422 -5.921 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.229 -4.400 -6.971 1.00 0.00 H new ATOM 0 HG SER A 41 2.826 -5.282 -4.896 1.00 0.00 H new ATOM 747 N THR A 42 -1.358 -3.658 -8.233 1.00 0.00 N ATOM 748 CA THR A 42 -2.071 -3.858 -9.531 1.00 0.00 C ATOM 749 C THR A 42 -2.430 -5.326 -9.787 1.00 0.00 C ATOM 750 O THR A 42 -2.197 -5.853 -10.856 1.00 0.00 O ATOM 751 CB THR A 42 -1.101 -3.350 -10.595 1.00 0.00 C ATOM 752 OG1 THR A 42 -0.078 -4.314 -10.805 1.00 0.00 O ATOM 753 CG2 THR A 42 -0.472 -2.018 -10.160 1.00 0.00 C ATOM 0 H THR A 42 -1.568 -2.770 -7.776 1.00 0.00 H new ATOM 0 HA THR A 42 -3.022 -3.326 -9.536 1.00 0.00 H new ATOM 0 HB THR A 42 -1.651 -3.190 -11.522 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.468 -5.126 -11.190 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.216 -1.672 -10.931 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.257 -1.276 -10.014 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.071 -2.160 -9.226 1.00 0.00 H new ATOM 761 N SER A 43 -2.999 -5.985 -8.822 1.00 0.00 N ATOM 762 CA SER A 43 -3.375 -7.411 -9.024 1.00 0.00 C ATOM 763 C SER A 43 -4.455 -7.523 -10.107 1.00 0.00 C ATOM 764 O SER A 43 -4.401 -8.388 -10.958 1.00 0.00 O ATOM 765 CB SER A 43 -3.900 -7.887 -7.668 1.00 0.00 C ATOM 766 OG SER A 43 -5.317 -7.758 -7.627 1.00 0.00 O ATOM 0 H SER A 43 -3.221 -5.601 -7.903 1.00 0.00 H new ATOM 0 HA SER A 43 -2.534 -8.018 -9.358 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.615 -8.926 -7.502 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.449 -7.301 -6.867 1.00 0.00 H new ATOM 0 HG SER A 43 -5.556 -6.906 -7.206 1.00 0.00 H new ATOM 772 N ALA A 44 -5.436 -6.653 -10.086 1.00 0.00 N ATOM 773 CA ALA A 44 -6.515 -6.716 -11.127 1.00 0.00 C ATOM 774 C ALA A 44 -7.607 -5.668 -10.871 1.00 0.00 C ATOM 775 O ALA A 44 -8.272 -5.224 -11.785 1.00 0.00 O ATOM 776 CB ALA A 44 -7.110 -8.123 -11.021 1.00 0.00 C ATOM 0 H ALA A 44 -5.538 -5.906 -9.399 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.109 -6.509 -12.117 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.907 -8.237 -11.756 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.332 -8.862 -11.211 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.515 -8.272 -10.020 1.00 0.00 H new ATOM 782 N ARG A 45 -7.814 -5.280 -9.644 1.00 0.00 N ATOM 783 CA ARG A 45 -8.887 -4.275 -9.359 1.00 0.00 C ATOM 784 C ARG A 45 -8.319 -3.015 -8.695 1.00 0.00 C ATOM 785 O ARG A 45 -9.004 -2.024 -8.546 1.00 0.00 O ATOM 786 CB ARG A 45 -9.870 -4.986 -8.421 1.00 0.00 C ATOM 787 CG ARG A 45 -9.163 -5.399 -7.126 1.00 0.00 C ATOM 788 CD ARG A 45 -9.525 -6.850 -6.797 1.00 0.00 C ATOM 789 NE ARG A 45 -8.857 -7.660 -7.851 1.00 0.00 N ATOM 790 CZ ARG A 45 -8.958 -8.959 -7.840 1.00 0.00 C ATOM 791 NH1 ARG A 45 -10.128 -9.523 -7.976 1.00 0.00 N ATOM 792 NH2 ARG A 45 -7.890 -9.694 -7.697 1.00 0.00 N ATOM 0 H ARG A 45 -7.295 -5.609 -8.830 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.367 -3.938 -10.278 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.707 -4.326 -8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.283 -5.866 -8.915 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.084 -5.297 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.462 -4.743 -6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.175 -7.129 -5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.605 -7.000 -6.808 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.319 -7.198 -8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.962 -8.947 -8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.208 -10.540 -7.968 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.977 -9.252 -7.594 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.968 -10.711 -7.688 1.00 0.00 H new ATOM 806 N HIS A 46 -7.079 -3.032 -8.305 1.00 0.00 N ATOM 807 CA HIS A 46 -6.485 -1.817 -7.663 1.00 0.00 C ATOM 808 C HIS A 46 -5.209 -1.423 -8.409 1.00 0.00 C ATOM 809 O HIS A 46 -4.765 -2.129 -9.290 1.00 0.00 O ATOM 810 CB HIS A 46 -6.191 -2.183 -6.193 1.00 0.00 C ATOM 811 CG HIS A 46 -5.799 -3.630 -6.043 1.00 0.00 C ATOM 812 ND1 HIS A 46 -6.298 -4.424 -5.022 1.00 0.00 N ATOM 813 CD2 HIS A 46 -4.965 -4.436 -6.769 1.00 0.00 C ATOM 814 CE1 HIS A 46 -5.763 -5.649 -5.162 1.00 0.00 C ATOM 815 NE2 HIS A 46 -4.943 -5.711 -6.213 1.00 0.00 N ATOM 0 H HIS A 46 -6.448 -3.828 -8.399 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.162 -0.964 -7.702 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.390 -1.548 -5.814 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.073 -1.981 -5.585 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.952 -4.132 -4.296 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.408 -4.129 -7.642 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.971 -6.481 -4.505 1.00 0.00 H new ATOM 823 N GLN A 47 -4.622 -0.297 -8.092 1.00 0.00 N ATOM 824 CA GLN A 47 -3.390 0.117 -8.823 1.00 0.00 C ATOM 825 C GLN A 47 -2.387 0.779 -7.875 1.00 0.00 C ATOM 826 O GLN A 47 -2.680 1.774 -7.242 1.00 0.00 O ATOM 827 CB GLN A 47 -3.879 1.122 -9.867 1.00 0.00 C ATOM 828 CG GLN A 47 -2.829 1.270 -10.969 1.00 0.00 C ATOM 829 CD GLN A 47 -2.097 2.602 -10.802 1.00 0.00 C ATOM 830 OE1 GLN A 47 -1.109 2.686 -9.955 1.00 0.00 O flip ATOM 831 NE2 GLN A 47 -2.432 3.577 -11.445 1.00 0.00 N flip ATOM 0 H GLN A 47 -4.939 0.346 -7.367 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.876 -0.734 -9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.824 0.787 -10.294 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.066 2.088 -9.397 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.119 0.444 -10.922 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.306 1.225 -11.948 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.205 3.510 -12.107 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.940 4.462 -11.323 1.00 0.00 H new ATOM 840 N VAL A 48 -1.201 0.241 -7.776 1.00 0.00 N ATOM 841 CA VAL A 48 -0.183 0.851 -6.877 1.00 0.00 C ATOM 842 C VAL A 48 0.973 1.425 -7.708 1.00 0.00 C ATOM 843 O VAL A 48 1.124 1.130 -8.876 1.00 0.00 O ATOM 844 CB VAL A 48 0.275 -0.299 -5.944 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.721 -0.736 -6.226 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.187 0.171 -4.494 1.00 0.00 C ATOM 0 H VAL A 48 -0.895 -0.592 -8.278 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.574 1.685 -6.294 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.380 -1.151 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.996 -1.544 -5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.802 -1.084 -7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.393 0.109 -6.075 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.508 -0.633 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.833 1.038 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.842 0.444 -4.262 1.00 0.00 H new ATOM 856 N THR A 49 1.792 2.230 -7.099 1.00 0.00 N ATOM 857 CA THR A 49 2.952 2.817 -7.833 1.00 0.00 C ATOM 858 C THR A 49 4.092 3.094 -6.854 1.00 0.00 C ATOM 859 O THR A 49 3.887 3.158 -5.663 1.00 0.00 O ATOM 860 CB THR A 49 2.429 4.121 -8.438 1.00 0.00 C ATOM 861 OG1 THR A 49 3.515 4.850 -8.994 1.00 0.00 O ATOM 862 CG2 THR A 49 1.758 4.953 -7.349 1.00 0.00 C ATOM 0 H THR A 49 1.712 2.510 -6.122 1.00 0.00 H new ATOM 0 HA THR A 49 3.341 2.149 -8.601 1.00 0.00 H new ATOM 0 HB THR A 49 1.703 3.897 -9.220 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.183 5.685 -9.384 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.385 5.882 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.927 4.391 -6.922 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.482 5.180 -6.567 1.00 0.00 H new ATOM 870 N THR A 50 5.290 3.261 -7.339 1.00 0.00 N ATOM 871 CA THR A 50 6.430 3.536 -6.415 1.00 0.00 C ATOM 872 C THR A 50 7.492 4.384 -7.130 1.00 0.00 C ATOM 873 O THR A 50 7.696 4.257 -8.320 1.00 0.00 O ATOM 874 CB THR A 50 6.992 2.157 -6.049 1.00 0.00 C ATOM 875 OG1 THR A 50 5.955 1.186 -6.114 1.00 0.00 O ATOM 876 CG2 THR A 50 7.561 2.191 -4.630 1.00 0.00 C ATOM 0 H THR A 50 5.531 3.220 -8.329 1.00 0.00 H new ATOM 0 HA THR A 50 6.122 4.092 -5.530 1.00 0.00 H new ATOM 0 HB THR A 50 7.783 1.896 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.298 1.361 -5.408 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.959 1.209 -4.374 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.359 2.932 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.771 2.456 -3.927 1.00 0.00 H new ATOM 884 N THR A 51 8.169 5.248 -6.417 1.00 0.00 N ATOM 885 CA THR A 51 9.209 6.098 -7.064 1.00 0.00 C ATOM 886 C THR A 51 10.540 5.949 -6.305 1.00 0.00 C ATOM 887 O THR A 51 10.948 4.849 -5.990 1.00 0.00 O ATOM 888 CB THR A 51 8.645 7.524 -6.982 1.00 0.00 C ATOM 889 OG1 THR A 51 9.452 8.406 -7.751 1.00 0.00 O ATOM 890 CG2 THR A 51 8.612 7.989 -5.525 1.00 0.00 C ATOM 0 H THR A 51 8.045 5.400 -5.416 1.00 0.00 H new ATOM 0 HA THR A 51 9.420 5.822 -8.097 1.00 0.00 H new ATOM 0 HB THR A 51 7.630 7.529 -7.380 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.087 9.314 -7.697 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.211 9.001 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.979 7.319 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.623 7.979 -5.117 1.00 0.00 H new ATOM 898 N LYS A 52 11.227 7.026 -6.010 1.00 0.00 N ATOM 899 CA LYS A 52 12.523 6.904 -5.278 1.00 0.00 C ATOM 900 C LYS A 52 12.354 6.033 -4.023 1.00 0.00 C ATOM 901 O LYS A 52 12.425 4.822 -4.094 1.00 0.00 O ATOM 902 CB LYS A 52 12.909 8.339 -4.912 1.00 0.00 C ATOM 903 CG LYS A 52 13.520 9.027 -6.134 1.00 0.00 C ATOM 904 CD LYS A 52 13.587 10.536 -5.890 1.00 0.00 C ATOM 905 CE LYS A 52 13.319 11.277 -7.200 1.00 0.00 C ATOM 906 NZ LYS A 52 11.861 11.580 -7.178 1.00 0.00 N ATOM 0 H LYS A 52 10.947 7.979 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 52 13.294 6.423 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.031 8.888 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.622 8.337 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.519 8.634 -6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.921 8.817 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.853 10.827 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.567 10.809 -5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.911 12.190 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.582 10.664 -8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.599 12.089 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.323 10.692 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.642 12.171 -6.351 1.00 0.00 H new ATOM 920 N TYR A 53 12.139 6.621 -2.870 1.00 0.00 N ATOM 921 CA TYR A 53 11.977 5.787 -1.641 1.00 0.00 C ATOM 922 C TYR A 53 10.556 5.897 -1.099 1.00 0.00 C ATOM 923 O TYR A 53 10.289 5.525 0.021 1.00 0.00 O ATOM 924 CB TYR A 53 12.920 6.366 -0.587 1.00 0.00 C ATOM 925 CG TYR A 53 14.266 6.750 -1.155 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.792 6.095 -2.274 1.00 0.00 C ATOM 927 CD2 TYR A 53 14.992 7.768 -0.534 1.00 0.00 C ATOM 928 CE1 TYR A 53 16.047 6.462 -2.769 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.245 8.137 -1.028 1.00 0.00 C ATOM 930 CZ TYR A 53 16.774 7.484 -2.147 1.00 0.00 C ATOM 931 OH TYR A 53 18.012 7.847 -2.637 1.00 0.00 O ATOM 0 H TYR A 53 12.070 7.629 -2.729 1.00 0.00 H new ATOM 0 HA TYR A 53 12.190 4.743 -1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.458 7.243 -0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 53 13.062 5.635 0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 53 14.230 5.308 -2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.584 8.271 0.330 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.456 5.957 -3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 53 16.805 8.925 -0.547 1.00 0.00 H new ATOM 0 HH TYR A 53 18.380 8.572 -2.090 1.00 0.00 H new ATOM 941 N LYS A 54 9.652 6.422 -1.862 1.00 0.00 N ATOM 942 CA LYS A 54 8.257 6.572 -1.349 1.00 0.00 C ATOM 943 C LYS A 54 7.264 5.948 -2.319 1.00 0.00 C ATOM 944 O LYS A 54 7.451 5.974 -3.514 1.00 0.00 O ATOM 945 CB LYS A 54 8.002 8.089 -1.203 1.00 0.00 C ATOM 946 CG LYS A 54 8.833 8.897 -2.215 1.00 0.00 C ATOM 947 CD LYS A 54 8.155 10.244 -2.476 1.00 0.00 C ATOM 948 CE LYS A 54 8.276 11.127 -1.232 1.00 0.00 C ATOM 949 NZ LYS A 54 7.556 12.383 -1.580 1.00 0.00 N ATOM 0 H LYS A 54 9.808 6.754 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 54 8.132 6.064 -0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.942 8.297 -1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.251 8.406 -0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.841 9.054 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.931 8.341 -3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.618 10.737 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.105 10.092 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.831 10.645 -0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.320 11.325 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.595 13.040 -0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.006 12.823 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.563 12.164 -1.800 1.00 0.00 H new ATOM 963 N SER A 55 6.212 5.375 -1.812 1.00 0.00 N ATOM 964 CA SER A 55 5.216 4.744 -2.708 1.00 0.00 C ATOM 965 C SER A 55 3.840 5.356 -2.519 1.00 0.00 C ATOM 966 O SER A 55 3.615 6.164 -1.645 1.00 0.00 O ATOM 967 CB SER A 55 5.175 3.277 -2.309 1.00 0.00 C ATOM 968 OG SER A 55 5.188 2.505 -3.489 1.00 0.00 O ATOM 0 H SER A 55 6.001 5.318 -0.816 1.00 0.00 H new ATOM 0 HA SER A 55 5.491 4.887 -3.753 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.031 3.029 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.279 3.066 -1.725 1.00 0.00 H new ATOM 0 HG SER A 55 4.620 2.931 -4.165 1.00 0.00 H new ATOM 974 N THR A 56 2.917 4.956 -3.339 1.00 0.00 N ATOM 975 CA THR A 56 1.534 5.481 -3.231 1.00 0.00 C ATOM 976 C THR A 56 0.550 4.429 -3.735 1.00 0.00 C ATOM 977 O THR A 56 0.780 3.778 -4.739 1.00 0.00 O ATOM 978 CB THR A 56 1.516 6.725 -4.122 1.00 0.00 C ATOM 979 OG1 THR A 56 2.297 6.483 -5.280 1.00 0.00 O ATOM 980 CG2 THR A 56 2.104 7.909 -3.364 1.00 0.00 C ATOM 0 H THR A 56 3.063 4.280 -4.088 1.00 0.00 H new ATOM 0 HA THR A 56 1.247 5.720 -2.207 1.00 0.00 H new ATOM 0 HB THR A 56 0.488 6.949 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.286 7.277 -5.854 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.089 8.793 -4.002 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.512 8.098 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.132 7.684 -3.079 1.00 0.00 H new ATOM 988 N PHE A 57 -0.535 4.245 -3.041 1.00 0.00 N ATOM 989 CA PHE A 57 -1.519 3.222 -3.478 1.00 0.00 C ATOM 990 C PHE A 57 -2.882 3.855 -3.743 1.00 0.00 C ATOM 991 O PHE A 57 -3.477 4.458 -2.878 1.00 0.00 O ATOM 992 CB PHE A 57 -1.598 2.233 -2.315 1.00 0.00 C ATOM 993 CG PHE A 57 -2.654 1.192 -2.599 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.759 0.638 -3.879 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.523 0.780 -1.583 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.732 -0.328 -4.146 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.497 -0.189 -1.849 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.601 -0.744 -3.131 1.00 0.00 C ATOM 0 H PHE A 57 -0.782 4.756 -2.194 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.221 2.740 -4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.631 1.752 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.835 2.762 -1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.087 0.957 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.442 1.209 -0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.814 -0.754 -5.135 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.168 -0.509 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.352 -1.493 -3.336 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.391 3.705 -4.933 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.720 4.293 -5.245 1.00 0.00 C ATOM 1010 C GLU A 58 -5.632 3.235 -5.885 1.00 0.00 C ATOM 1011 O GLU A 58 -5.320 2.679 -6.919 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.429 5.421 -6.238 1.00 0.00 C ATOM 1013 CG GLU A 58 -3.744 4.852 -7.483 1.00 0.00 C ATOM 1014 CD GLU A 58 -4.675 4.998 -8.687 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -5.491 4.115 -8.890 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -4.556 5.991 -9.387 1.00 0.00 O ATOM 0 H GLU A 58 -2.945 3.202 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.232 4.655 -4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.357 5.920 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.791 6.172 -5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.807 5.377 -7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.495 3.802 -7.327 1.00 0.00 H new ATOM 1023 N ILE A 59 -6.757 2.953 -5.289 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.672 1.932 -5.884 1.00 0.00 C ATOM 1025 C ILE A 59 -8.644 2.612 -6.853 1.00 0.00 C ATOM 1026 O ILE A 59 -8.848 3.808 -6.796 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.414 1.319 -4.697 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.418 0.549 -3.827 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -9.493 0.360 -5.205 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -8.094 0.118 -2.526 1.00 0.00 C ATOM 0 H ILE A 59 -7.083 3.380 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.139 1.170 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.882 2.110 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.052 -0.326 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.552 1.174 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.021 -0.076 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.199 0.906 -5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.028 -0.434 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.381 -0.430 -1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.438 1.000 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.945 -0.524 -2.754 1.00 0.00 H new ATOM 1042 N SER A 60 -9.231 1.871 -7.756 1.00 0.00 N ATOM 1043 CA SER A 60 -10.164 2.510 -8.731 1.00 0.00 C ATOM 1044 C SER A 60 -11.258 1.540 -9.198 1.00 0.00 C ATOM 1045 O SER A 60 -11.924 1.788 -10.184 1.00 0.00 O ATOM 1046 CB SER A 60 -9.276 2.904 -9.906 1.00 0.00 C ATOM 1047 OG SER A 60 -8.006 3.318 -9.417 1.00 0.00 O ATOM 0 H SER A 60 -9.107 0.864 -7.861 1.00 0.00 H new ATOM 0 HA SER A 60 -10.686 3.357 -8.285 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.159 2.061 -10.587 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.741 3.710 -10.474 1.00 0.00 H new ATOM 0 HG SER A 60 -7.416 3.525 -10.172 1.00 0.00 H new ATOM 1053 N SER A 61 -11.459 0.445 -8.514 1.00 0.00 N ATOM 1054 CA SER A 61 -12.524 -0.504 -8.959 1.00 0.00 C ATOM 1055 C SER A 61 -12.820 -1.562 -7.889 1.00 0.00 C ATOM 1056 O SER A 61 -13.960 -1.893 -7.643 1.00 0.00 O ATOM 1057 CB SER A 61 -11.955 -1.156 -10.223 1.00 0.00 C ATOM 1058 OG SER A 61 -11.411 -2.434 -9.906 1.00 0.00 O ATOM 0 H SER A 61 -10.942 0.168 -7.679 1.00 0.00 H new ATOM 0 HA SER A 61 -13.470 0.006 -9.140 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.739 -1.261 -10.973 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.183 -0.519 -10.655 1.00 0.00 H new ATOM 0 HG SER A 61 -10.563 -2.319 -9.428 1.00 0.00 H new ATOM 1064 N VAL A 62 -11.793 -2.100 -7.281 1.00 0.00 N ATOM 1065 CA VAL A 62 -11.968 -3.165 -6.237 1.00 0.00 C ATOM 1066 C VAL A 62 -12.991 -4.221 -6.704 1.00 0.00 C ATOM 1067 O VAL A 62 -13.471 -4.182 -7.820 1.00 0.00 O ATOM 1068 CB VAL A 62 -12.412 -2.427 -4.957 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -13.894 -2.038 -5.014 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -12.174 -3.330 -3.742 1.00 0.00 C ATOM 0 H VAL A 62 -10.823 -1.844 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.048 -3.720 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.824 -1.513 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -14.170 -1.520 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.065 -1.381 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.502 -2.936 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -12.487 -2.811 -2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.751 -4.248 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.114 -3.574 -3.672 1.00 0.00 H new ATOM 1130 N GLU A 67 -13.482 -6.694 0.532 1.00 0.00 N ATOM 1131 CA GLU A 67 -13.844 -5.908 1.762 1.00 0.00 C ATOM 1132 C GLU A 67 -12.872 -4.740 1.958 1.00 0.00 C ATOM 1133 O GLU A 67 -12.471 -4.104 1.002 1.00 0.00 O ATOM 1134 CB GLU A 67 -13.794 -6.903 2.935 1.00 0.00 C ATOM 1135 CG GLU A 67 -12.355 -7.345 3.225 1.00 0.00 C ATOM 1136 CD GLU A 67 -12.336 -8.205 4.491 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -13.095 -9.158 4.547 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -11.562 -7.893 5.382 1.00 0.00 O ATOM 0 HA GLU A 67 -14.836 -5.463 1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.222 -6.442 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.405 -7.775 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.959 -7.910 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.713 -6.473 3.354 1.00 0.00 H new ATOM 1145 N GLY A 68 -12.483 -4.448 3.166 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.536 -3.319 3.355 1.00 0.00 C ATOM 1147 C GLY A 68 -10.545 -3.575 4.474 1.00 0.00 C ATOM 1148 O GLY A 68 -10.753 -3.207 5.600 1.00 0.00 O ATOM 0 H GLY A 68 -12.773 -4.932 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.993 -3.145 2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.097 -2.410 3.572 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.455 -4.168 4.125 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.348 -4.440 5.079 1.00 0.00 C ATOM 1154 C ASN A 69 -7.061 -4.651 4.279 1.00 0.00 C ATOM 1155 O ASN A 69 -6.873 -5.680 3.661 1.00 0.00 O ATOM 1156 CB ASN A 69 -8.753 -5.687 5.837 1.00 0.00 C ATOM 1157 CG ASN A 69 -7.745 -5.965 6.954 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -6.651 -5.436 6.946 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -8.072 -6.778 7.921 1.00 0.00 N ATOM 0 H ASN A 69 -9.272 -4.493 3.176 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.168 -3.622 5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.750 -5.560 6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.800 -6.538 5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.409 -6.970 8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.991 -7.221 7.926 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.190 -3.690 4.254 1.00 0.00 N ATOM 1167 CA TYR A 70 -4.937 -3.857 3.452 1.00 0.00 C ATOM 1168 C TYR A 70 -3.710 -3.336 4.199 1.00 0.00 C ATOM 1169 O TYR A 70 -3.820 -2.584 5.142 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.168 -3.023 2.197 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.201 -3.699 1.337 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -6.026 -5.031 0.948 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.336 -2.993 0.932 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -6.991 -5.659 0.149 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -8.302 -3.617 0.134 1.00 0.00 C ATOM 1176 CZ TYR A 70 -8.130 -4.950 -0.259 1.00 0.00 C ATOM 1177 OH TYR A 70 -9.080 -5.567 -1.049 1.00 0.00 O ATOM 0 H TYR A 70 -6.282 -2.801 4.746 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.742 -4.908 3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.502 -2.021 2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.235 -2.909 1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.148 -5.575 1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.468 -1.965 1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.858 -6.688 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.180 -3.071 -0.178 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.805 -4.937 -1.241 1.00 0.00 H new ATOM 1187 N SER A 71 -2.531 -3.712 3.773 1.00 0.00 N ATOM 1188 CA SER A 71 -1.314 -3.200 4.459 1.00 0.00 C ATOM 1189 C SER A 71 -0.169 -3.050 3.458 1.00 0.00 C ATOM 1190 O SER A 71 -0.323 -3.304 2.280 1.00 0.00 O ATOM 1191 CB SER A 71 -0.955 -4.218 5.540 1.00 0.00 C ATOM 1192 OG SER A 71 -1.941 -5.241 5.600 1.00 0.00 O ATOM 0 H SER A 71 -2.362 -4.343 2.990 1.00 0.00 H new ATOM 0 HA SER A 71 -1.493 -2.219 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.021 -4.655 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.878 -3.720 6.507 1.00 0.00 H new ATOM 0 HG SER A 71 -1.683 -5.905 6.273 1.00 0.00 H new ATOM 1198 N VAL A 72 0.978 -2.628 3.914 1.00 0.00 N ATOM 1199 CA VAL A 72 2.135 -2.448 2.977 1.00 0.00 C ATOM 1200 C VAL A 72 3.462 -2.776 3.667 1.00 0.00 C ATOM 1201 O VAL A 72 3.934 -2.049 4.517 1.00 0.00 O ATOM 1202 CB VAL A 72 2.094 -0.971 2.557 1.00 0.00 C ATOM 1203 CG1 VAL A 72 1.997 -0.097 3.804 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.367 -0.598 1.779 1.00 0.00 C ATOM 0 H VAL A 72 1.169 -2.400 4.890 1.00 0.00 H new ATOM 0 HA VAL A 72 2.062 -3.118 2.120 1.00 0.00 H new ATOM 0 HB VAL A 72 1.227 -0.811 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.968 0.953 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.089 -0.346 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.865 -0.272 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.322 0.452 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.240 -0.763 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.442 -1.218 0.886 1.00 0.00 H new ATOM 1214 N VAL A 73 4.074 -3.859 3.283 1.00 0.00 N ATOM 1215 CA VAL A 73 5.381 -4.239 3.881 1.00 0.00 C ATOM 1216 C VAL A 73 6.526 -3.661 3.048 1.00 0.00 C ATOM 1217 O VAL A 73 6.908 -4.200 2.028 1.00 0.00 O ATOM 1218 CB VAL A 73 5.419 -5.771 3.875 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.253 -6.315 4.700 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.320 -6.302 2.445 1.00 0.00 C ATOM 0 H VAL A 73 3.721 -4.502 2.574 1.00 0.00 H new ATOM 0 HA VAL A 73 5.493 -3.849 4.893 1.00 0.00 H new ATOM 0 HB VAL A 73 6.363 -6.099 4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.281 -7.405 4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.334 -5.955 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.312 -5.974 4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.348 -7.392 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.384 -5.969 1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.157 -5.925 1.858 1.00 0.00 H new ATOM 1230 N VAL A 74 7.073 -2.564 3.483 1.00 0.00 N ATOM 1231 CA VAL A 74 8.195 -1.931 2.739 1.00 0.00 C ATOM 1232 C VAL A 74 9.532 -2.376 3.369 1.00 0.00 C ATOM 1233 O VAL A 74 9.716 -2.301 4.568 1.00 0.00 O ATOM 1234 CB VAL A 74 7.929 -0.423 2.900 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.234 0.386 2.858 1.00 0.00 C ATOM 1236 CG2 VAL A 74 7.016 0.042 1.766 1.00 0.00 C ATOM 0 H VAL A 74 6.788 -2.073 4.331 1.00 0.00 H new ATOM 0 HA VAL A 74 8.258 -2.207 1.686 1.00 0.00 H new ATOM 0 HB VAL A 74 7.458 -0.258 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.009 1.446 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.889 0.063 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.732 0.224 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.821 1.109 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.501 -0.146 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.074 -0.505 1.810 1.00 0.00 H new ATOM 1246 N GLU A 75 10.458 -2.848 2.573 1.00 0.00 N ATOM 1247 CA GLU A 75 11.768 -3.306 3.136 1.00 0.00 C ATOM 1248 C GLU A 75 12.900 -3.067 2.128 1.00 0.00 C ATOM 1249 O GLU A 75 12.671 -2.599 1.034 1.00 0.00 O ATOM 1250 CB GLU A 75 11.583 -4.806 3.375 1.00 0.00 C ATOM 1251 CG GLU A 75 11.319 -5.510 2.044 1.00 0.00 C ATOM 1252 CD GLU A 75 12.496 -6.427 1.709 1.00 0.00 C ATOM 1253 OE1 GLU A 75 13.599 -5.921 1.584 1.00 0.00 O ATOM 1254 OE2 GLU A 75 12.275 -7.621 1.584 1.00 0.00 O ATOM 0 H GLU A 75 10.366 -2.936 1.561 1.00 0.00 H new ATOM 0 HA GLU A 75 12.036 -2.768 4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.473 -5.222 3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.751 -4.975 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.398 -6.090 2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.181 -4.774 1.252 1.00 0.00 H new ATOM 1261 N ASN A 76 14.119 -3.399 2.480 1.00 0.00 N ATOM 1262 CA ASN A 76 15.247 -3.200 1.515 1.00 0.00 C ATOM 1263 C ASN A 76 16.563 -3.778 2.073 1.00 0.00 C ATOM 1264 O ASN A 76 16.556 -4.818 2.698 1.00 0.00 O ATOM 1265 CB ASN A 76 15.336 -1.686 1.293 1.00 0.00 C ATOM 1266 CG ASN A 76 15.929 -1.417 -0.095 1.00 0.00 C ATOM 1267 OD1 ASN A 76 15.408 -1.879 -1.091 1.00 0.00 O ATOM 1268 ND2 ASN A 76 17.002 -0.683 -0.200 1.00 0.00 N ATOM 0 H ASN A 76 14.380 -3.795 3.383 1.00 0.00 H new ATOM 0 HA ASN A 76 15.074 -3.724 0.575 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.347 -1.235 1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.958 -1.229 2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.404 -0.496 -1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.439 -0.296 0.636 1.00 0.00 H new ATOM 1275 N SER A 77 17.685 -3.122 1.814 1.00 0.00 N ATOM 1276 CA SER A 77 19.043 -3.609 2.270 1.00 0.00 C ATOM 1277 C SER A 77 18.981 -4.594 3.440 1.00 0.00 C ATOM 1278 O SER A 77 19.470 -5.702 3.354 1.00 0.00 O ATOM 1279 CB SER A 77 19.811 -2.345 2.664 1.00 0.00 C ATOM 1280 OG SER A 77 19.138 -1.679 3.725 1.00 0.00 O ATOM 0 H SER A 77 17.715 -2.246 1.292 1.00 0.00 H new ATOM 0 HA SER A 77 19.527 -4.169 1.470 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.824 -2.606 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.900 -1.681 1.805 1.00 0.00 H new ATOM 0 HG SER A 77 18.580 -0.961 3.359 1.00 0.00 H new ATOM 1286 N GLU A 78 18.386 -4.208 4.521 1.00 0.00 N ATOM 1287 CA GLU A 78 18.295 -5.139 5.688 1.00 0.00 C ATOM 1288 C GLU A 78 17.162 -4.732 6.636 1.00 0.00 C ATOM 1289 O GLU A 78 17.083 -5.197 7.755 1.00 0.00 O ATOM 1290 CB GLU A 78 19.653 -5.043 6.391 1.00 0.00 C ATOM 1291 CG GLU A 78 19.848 -3.640 6.981 1.00 0.00 C ATOM 1292 CD GLU A 78 20.754 -2.809 6.069 1.00 0.00 C ATOM 1293 OE1 GLU A 78 21.118 -3.299 5.014 1.00 0.00 O ATOM 1294 OE2 GLU A 78 21.065 -1.691 6.445 1.00 0.00 O ATOM 0 H GLU A 78 17.957 -3.293 4.657 1.00 0.00 H new ATOM 0 HA GLU A 78 18.072 -6.157 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.714 -5.790 7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.453 -5.262 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.882 -3.147 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.288 -3.713 7.976 1.00 0.00 H new ATOM 1301 N GLY A 79 16.280 -3.877 6.200 1.00 0.00 N ATOM 1302 CA GLY A 79 15.157 -3.461 7.080 1.00 0.00 C ATOM 1303 C GLY A 79 13.858 -4.005 6.499 1.00 0.00 C ATOM 1304 O GLY A 79 13.823 -4.458 5.374 1.00 0.00 O ATOM 0 H GLY A 79 16.289 -3.450 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.308 -3.840 8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.114 -2.374 7.151 1.00 0.00 H new ATOM 1308 N LYS A 80 12.793 -3.969 7.244 1.00 0.00 N ATOM 1309 CA LYS A 80 11.508 -4.497 6.704 1.00 0.00 C ATOM 1310 C LYS A 80 10.320 -3.961 7.505 1.00 0.00 C ATOM 1311 O LYS A 80 9.557 -4.709 8.081 1.00 0.00 O ATOM 1312 CB LYS A 80 11.588 -6.033 6.804 1.00 0.00 C ATOM 1313 CG LYS A 80 12.303 -6.471 8.093 1.00 0.00 C ATOM 1314 CD LYS A 80 11.466 -6.078 9.312 1.00 0.00 C ATOM 1315 CE LYS A 80 12.058 -6.717 10.571 1.00 0.00 C ATOM 1316 NZ LYS A 80 12.054 -8.184 10.303 1.00 0.00 N ATOM 0 H LYS A 80 12.753 -3.601 8.195 1.00 0.00 H new ATOM 0 HA LYS A 80 11.359 -4.180 5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.583 -6.454 6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.119 -6.429 5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.462 -7.549 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.286 -6.004 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.447 -4.993 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.435 -6.404 9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.068 -6.354 10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.463 -6.476 11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.860 -8.698 11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.317 -8.407 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.982 -8.472 9.932 1.00 0.00 H new ATOM 1330 N GLN A 81 10.144 -2.670 7.527 1.00 0.00 N ATOM 1331 CA GLN A 81 8.991 -2.098 8.277 1.00 0.00 C ATOM 1332 C GLN A 81 7.776 -2.007 7.353 1.00 0.00 C ATOM 1333 O GLN A 81 7.903 -1.983 6.146 1.00 0.00 O ATOM 1334 CB GLN A 81 9.436 -0.706 8.722 1.00 0.00 C ATOM 1335 CG GLN A 81 8.452 -0.175 9.767 1.00 0.00 C ATOM 1336 CD GLN A 81 8.947 1.166 10.309 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.134 1.371 10.467 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.078 2.092 10.603 1.00 0.00 N ATOM 0 H GLN A 81 10.744 -1.989 7.061 1.00 0.00 H new ATOM 0 HA GLN A 81 8.708 -2.712 9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.442 -0.749 9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.475 -0.032 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.464 -0.056 9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.350 -0.892 10.582 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.082 1.918 10.469 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.394 2.991 10.967 1.00 0.00 H new ATOM 1347 N GLU A 82 6.598 -1.973 7.906 1.00 0.00 N ATOM 1348 CA GLU A 82 5.380 -1.905 7.051 1.00 0.00 C ATOM 1349 C GLU A 82 4.372 -0.918 7.619 1.00 0.00 C ATOM 1350 O GLU A 82 4.665 -0.123 8.490 1.00 0.00 O ATOM 1351 CB GLU A 82 4.806 -3.327 7.082 1.00 0.00 C ATOM 1352 CG GLU A 82 4.281 -3.661 8.484 1.00 0.00 C ATOM 1353 CD GLU A 82 2.750 -3.654 8.478 1.00 0.00 C ATOM 1354 OE1 GLU A 82 2.176 -3.892 7.427 1.00 0.00 O ATOM 1355 OE2 GLU A 82 2.175 -3.413 9.527 1.00 0.00 O ATOM 0 H GLU A 82 6.424 -1.989 8.911 1.00 0.00 H new ATOM 0 HA GLU A 82 5.609 -1.567 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.000 -3.417 6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.576 -4.043 6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.648 -4.638 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.655 -2.934 9.205 1.00 0.00 H new ATOM 1362 N ALA A 83 3.181 -0.986 7.122 1.00 0.00 N ATOM 1363 CA ALA A 83 2.106 -0.086 7.601 1.00 0.00 C ATOM 1364 C ALA A 83 0.789 -0.843 7.519 1.00 0.00 C ATOM 1365 O ALA A 83 0.715 -1.888 6.905 1.00 0.00 O ATOM 1366 CB ALA A 83 2.123 1.096 6.633 1.00 0.00 C ATOM 0 H ALA A 83 2.899 -1.638 6.390 1.00 0.00 H new ATOM 0 HA ALA A 83 2.237 0.251 8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.353 1.812 6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.099 1.580 6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.930 0.740 5.621 1.00 0.00 H new ATOM 1372 N GLU A 84 -0.249 -0.351 8.124 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.532 -1.094 8.048 1.00 0.00 C ATOM 1374 C GLU A 84 -2.716 -0.129 7.957 1.00 0.00 C ATOM 1375 O GLU A 84 -3.009 0.607 8.878 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.602 -1.908 9.340 1.00 0.00 C ATOM 1377 CG GLU A 84 -1.403 -3.391 9.020 1.00 0.00 C ATOM 1378 CD GLU A 84 -2.592 -3.905 8.205 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -3.226 -3.102 7.543 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -2.845 -5.097 8.253 1.00 0.00 O ATOM 0 H GLU A 84 -0.268 0.517 8.659 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.579 -1.728 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.836 -1.570 10.038 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.566 -1.756 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.478 -3.532 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.308 -3.963 9.943 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.406 -0.151 6.857 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.591 0.732 6.689 1.00 0.00 C ATOM 1389 C PHE A 85 -5.666 -0.051 5.947 1.00 0.00 C ATOM 1390 O PHE A 85 -5.380 -0.778 5.019 1.00 0.00 O ATOM 1391 CB PHE A 85 -4.108 1.918 5.855 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.678 1.438 4.489 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -2.460 0.767 4.332 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -4.507 1.656 3.383 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -2.072 0.313 3.066 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -4.119 1.204 2.119 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.903 0.532 1.959 1.00 0.00 C ATOM 0 H PHE A 85 -3.199 -0.749 6.057 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.010 1.073 7.636 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.905 2.655 5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.276 2.412 6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.821 0.600 5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.447 2.174 3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.133 -0.206 2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.758 1.374 1.265 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.604 0.182 0.982 1.00 0.00 H new ATOM 1407 N THR A 86 -6.891 0.074 6.343 1.00 0.00 N ATOM 1408 CA THR A 86 -7.950 -0.698 5.644 1.00 0.00 C ATOM 1409 C THR A 86 -8.762 0.190 4.714 1.00 0.00 C ATOM 1410 O THR A 86 -8.829 1.393 4.871 1.00 0.00 O ATOM 1411 CB THR A 86 -8.819 -1.288 6.739 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.412 -0.244 7.498 1.00 0.00 O ATOM 1413 CG2 THR A 86 -7.966 -2.173 7.644 1.00 0.00 C ATOM 0 H THR A 86 -7.207 0.668 7.110 1.00 0.00 H new ATOM 0 HA THR A 86 -7.522 -1.476 5.012 1.00 0.00 H new ATOM 0 HB THR A 86 -9.609 -1.890 6.290 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.973 -0.630 8.202 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.590 -2.597 8.431 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.526 -2.978 7.056 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.172 -1.576 8.093 1.00 0.00 H new ATOM 1421 N LEU A 87 -9.372 -0.404 3.730 1.00 0.00 N ATOM 1422 CA LEU A 87 -10.170 0.390 2.769 1.00 0.00 C ATOM 1423 C LEU A 87 -11.453 -0.336 2.443 1.00 0.00 C ATOM 1424 O LEU A 87 -11.461 -1.322 1.748 1.00 0.00 O ATOM 1425 CB LEU A 87 -9.291 0.502 1.538 1.00 0.00 C ATOM 1426 CG LEU A 87 -8.744 1.912 1.434 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -9.873 2.947 1.562 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -7.697 2.115 2.536 1.00 0.00 C ATOM 0 H LEU A 87 -9.350 -1.408 3.552 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.449 1.368 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.471 -0.214 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.865 0.256 0.645 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.281 2.052 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.456 3.951 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.600 2.793 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.364 2.832 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.294 3.126 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.162 1.969 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.889 1.394 2.408 1.00 0.00 H new ATOM 1440 N THR A 88 -12.533 0.150 2.943 1.00 0.00 N ATOM 1441 CA THR A 88 -13.827 -0.549 2.700 1.00 0.00 C ATOM 1442 C THR A 88 -14.482 -0.113 1.397 1.00 0.00 C ATOM 1443 O THR A 88 -14.182 0.921 0.830 1.00 0.00 O ATOM 1444 CB THR A 88 -14.724 -0.229 3.900 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.945 0.299 4.969 1.00 0.00 O ATOM 1446 CG2 THR A 88 -15.406 -1.520 4.359 1.00 0.00 C ATOM 0 H THR A 88 -12.590 0.997 3.509 1.00 0.00 H new ATOM 0 HA THR A 88 -13.663 -1.622 2.600 1.00 0.00 H new ATOM 0 HB THR A 88 -15.470 0.511 3.610 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.528 0.502 5.730 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.049 -1.308 5.214 1.00 0.00 H new ATOM 0 HG22 THR A 88 -16.007 -1.923 3.544 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.649 -2.249 4.647 1.00 0.00 H new ATOM 1454 N ILE A 89 -15.376 -0.934 0.925 1.00 0.00 N ATOM 1455 CA ILE A 89 -16.086 -0.658 -0.357 1.00 0.00 C ATOM 1456 C ILE A 89 -17.502 -1.244 -0.312 1.00 0.00 C ATOM 1457 O ILE A 89 -17.784 -2.305 -0.830 1.00 0.00 O ATOM 1458 CB ILE A 89 -15.227 -1.300 -1.477 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -15.306 -2.850 -1.502 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -13.767 -0.886 -1.302 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -15.316 -3.449 -0.096 1.00 0.00 C ATOM 0 H ILE A 89 -15.651 -1.803 1.382 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.202 0.411 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.631 -0.939 -2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.207 -3.158 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.457 -3.247 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.164 -1.338 -2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.687 0.199 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.407 -1.224 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -15.372 -4.535 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -14.403 -3.165 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -16.180 -3.075 0.453 1.00 0.00 H new