USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 629 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 75 ASN : amide:sc= -2.12! C(o=-8.1!,f=-15!) USER MOD Set 1.2: A 77 THR OG1 : rot 105:sc= -5.98! USER MOD Set 2.1: A 8 CYS SG : rot 154:sc= -4 USER MOD Set 2.2: A 10 HIS : no HD1:sc= -3.36! C(o=-26!,f=-23!) USER MOD Set 2.3: A 71 ASN : amide:sc= -9.09! C(o=-26!,f=-20!) USER MOD Set 2.4: A 83 CYS SG : rot -155:sc= -2.76 USER MOD Set 2.5: A 86 CYS SG : rot 130:sc= -6.59! USER MOD Set 3.1: A 61 SER OG : rot 131:sc= 0.00787 USER MOD Set 3.2: A 73 THR OG1 : rot 132:sc= 0.64 USER MOD Set 4.1: A 39 ASN : amide:sc= -0.0163 K(o=-2,f=-4.3!) USER MOD Set 4.2: A 56 SER OG : rot -146:sc= -2.01 USER MOD Set 5.1: A 43 CYS SG : rot -158:sc= -1.53 USER MOD Set 5.2: A 45 GLN : amide:sc= -6.56! C(o=-17!,f=-18!) USER MOD Set 5.3: A 48 CYS SG : rot 169:sc= 0.524 USER MOD Set 5.4: A 64 HIS : no HE2:sc= -3.58 X(o=-17,f=-17) USER MOD Set 5.5: A 70 HIS : no HD1:sc= -5.98! K(o=-17!,f=-16) USER MOD Set 6.1: A 30 CYS SG : rot -154:sc= -1.25! USER MOD Set 6.2: A 33 CYS SG : rot -150:sc= -0.125 USER MOD Set 6.3: A 53 CYS SG : rot -114:sc= 1.47 USER MOD Set 6.4: A 60 HIS : no HE2:sc= -3.82! K(o=-3.7!,f=-1.5) USER MOD Set 7.1: A 31 GLN : amide:sc= -5.75! C(o=-8!,f=-7.8!) USER MOD Set 7.2: A 32 SER OG : rot -160:sc= -2.23! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= -0.565 (180deg=-0.763) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= -4.71! (180deg=-5.47!) USER MOD Single : A 26 SER OG : rot -49:sc= -0.729 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 36 THR OG1 : rot -95:sc= -0.784! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -85:sc= 0.662 USER MOD Single : A 66 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.17) USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= -0.255 (180deg=-0.998) USER MOD Single : A 69 LYS NZ :NH3+ -101:sc= 1.32 (180deg=-0.202) USER MOD Single : A 78 THR OG1 : rot -120:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -126:sc= -1.46 (180deg=-4.02!) USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 7 12.498 0.960 4.422 1.00 0.00 N ATOM 85 CA LEU A 7 12.277 0.073 3.245 1.00 0.00 C ATOM 86 C LEU A 7 11.890 -1.333 3.722 1.00 0.00 C ATOM 87 O LEU A 7 12.134 -1.705 4.852 1.00 0.00 O ATOM 88 CB LEU A 7 13.564 0.044 2.387 1.00 0.00 C ATOM 89 CG LEU A 7 14.471 -1.168 2.709 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.663 -1.335 4.228 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.884 -2.458 2.103 1.00 0.00 C ATOM 0 HA LEU A 7 11.460 0.454 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.292 0.018 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.124 0.965 2.549 1.00 0.00 H new ATOM 0 HG LEU A 7 15.447 -0.980 2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.305 -2.195 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.126 -0.437 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.694 -1.492 4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.535 -3.300 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.893 -2.637 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.809 -2.350 1.021 1.00 0.00 H new ATOM 103 N CYS A 8 11.289 -2.117 2.862 1.00 0.00 N ATOM 104 CA CYS A 8 10.891 -3.508 3.247 1.00 0.00 C ATOM 105 C CYS A 8 11.433 -4.478 2.190 1.00 0.00 C ATOM 106 O CYS A 8 11.728 -4.094 1.078 1.00 0.00 O ATOM 107 CB CYS A 8 9.351 -3.620 3.341 1.00 0.00 C ATOM 108 SG CYS A 8 8.744 -4.941 2.243 1.00 0.00 S ATOM 0 H CYS A 8 11.055 -1.853 1.905 1.00 0.00 H new ATOM 0 HA CYS A 8 11.306 -3.755 4.224 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.057 -3.829 4.370 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.893 -2.670 3.066 1.00 0.00 H new ATOM 0 HG CYS A 8 7.616 -5.400 2.699 1.00 0.00 H new ATOM 113 N PRO A 9 11.570 -5.726 2.539 1.00 0.00 N ATOM 114 CA PRO A 9 12.094 -6.781 1.615 1.00 0.00 C ATOM 115 C PRO A 9 11.273 -6.867 0.326 1.00 0.00 C ATOM 116 O PRO A 9 11.787 -6.740 -0.768 1.00 0.00 O ATOM 117 CB PRO A 9 11.939 -8.079 2.428 1.00 0.00 C ATOM 118 CG PRO A 9 10.949 -7.742 3.493 1.00 0.00 C ATOM 119 CD PRO A 9 11.230 -6.291 3.846 1.00 0.00 C ATOM 0 HA PRO A 9 13.118 -6.579 1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.585 -8.898 1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.890 -8.394 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.927 -7.871 3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.068 -8.390 4.362 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.362 -5.803 4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.049 -6.195 4.559 1.00 0.00 H new ATOM 127 N HIS A 10 9.998 -7.084 0.463 1.00 0.00 N ATOM 128 CA HIS A 10 9.113 -7.186 -0.736 1.00 0.00 C ATOM 129 C HIS A 10 8.872 -5.787 -1.304 1.00 0.00 C ATOM 130 O HIS A 10 8.210 -5.616 -2.308 1.00 0.00 O ATOM 131 CB HIS A 10 7.772 -7.826 -0.337 1.00 0.00 C ATOM 132 CG HIS A 10 8.005 -8.830 0.757 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.011 -8.483 2.108 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.243 -10.181 0.712 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.247 -9.615 2.802 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.394 -10.669 2.001 1.00 0.00 N ATOM 0 H HIS A 10 9.524 -7.196 1.359 1.00 0.00 H new ATOM 0 HA HIS A 10 9.592 -7.808 -1.493 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.076 -7.058 0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.317 -8.311 -1.200 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.303 -10.773 -0.189 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.309 -9.661 3.879 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.579 -11.633 2.278 1.00 0.00 H new ATOM 144 N LEU A 11 9.403 -4.788 -0.660 1.00 0.00 N ATOM 145 CA LEU A 11 9.210 -3.392 -1.142 1.00 0.00 C ATOM 146 C LEU A 11 9.940 -3.201 -2.473 1.00 0.00 C ATOM 147 O LEU A 11 9.570 -2.375 -3.282 1.00 0.00 O ATOM 148 CB LEU A 11 9.772 -2.427 -0.095 1.00 0.00 C ATOM 149 CG LEU A 11 9.274 -0.995 -0.360 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.968 -0.297 0.970 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.351 -0.203 -1.111 1.00 0.00 C ATOM 0 H LEU A 11 9.966 -4.878 0.185 1.00 0.00 H new ATOM 0 HA LEU A 11 8.149 -3.194 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.468 -2.745 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.862 -2.450 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 11 8.367 -1.040 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.616 0.716 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.197 -0.853 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.873 -0.257 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.994 0.810 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.259 -0.164 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.566 -0.692 -2.061 1.00 0.00 H new ATOM 163 N ASP A 12 10.972 -3.962 -2.708 1.00 0.00 N ATOM 164 CA ASP A 12 11.723 -3.826 -3.988 1.00 0.00 C ATOM 165 C ASP A 12 11.057 -4.692 -5.059 1.00 0.00 C ATOM 166 O ASP A 12 11.239 -4.484 -6.242 1.00 0.00 O ATOM 167 CB ASP A 12 13.161 -4.297 -3.780 1.00 0.00 C ATOM 168 CG ASP A 12 13.913 -4.247 -5.112 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.909 -4.941 -5.234 1.00 0.00 O ATOM 170 OD2 ASP A 12 13.479 -3.517 -5.988 1.00 0.00 O ATOM 0 H ASP A 12 11.328 -4.673 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 12 11.721 -2.784 -4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.659 -3.665 -3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.169 -5.312 -3.384 1.00 0.00 H new ATOM 175 N SER A 13 10.293 -5.666 -4.650 1.00 0.00 N ATOM 176 CA SER A 13 9.617 -6.554 -5.639 1.00 0.00 C ATOM 177 C SER A 13 8.376 -5.858 -6.202 1.00 0.00 C ATOM 178 O SER A 13 7.898 -6.192 -7.269 1.00 0.00 O ATOM 179 CB SER A 13 9.201 -7.853 -4.948 1.00 0.00 C ATOM 180 OG SER A 13 8.754 -8.783 -5.925 1.00 0.00 O ATOM 0 H SER A 13 10.107 -5.887 -3.672 1.00 0.00 H new ATOM 0 HA SER A 13 10.305 -6.773 -6.455 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.042 -8.268 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.408 -7.657 -4.227 1.00 0.00 H new ATOM 0 HG SER A 13 8.488 -9.617 -5.485 1.00 0.00 H new ATOM 186 N ILE A 14 7.844 -4.898 -5.496 1.00 0.00 N ATOM 187 CA ILE A 14 6.628 -4.191 -5.995 1.00 0.00 C ATOM 188 C ILE A 14 7.035 -3.040 -6.921 1.00 0.00 C ATOM 189 O ILE A 14 6.212 -2.459 -7.599 1.00 0.00 O ATOM 190 CB ILE A 14 5.855 -3.628 -4.806 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.781 -2.748 -3.964 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.335 -4.783 -3.948 1.00 0.00 C ATOM 193 CD1 ILE A 14 5.949 -1.888 -3.009 1.00 0.00 C ATOM 0 H ILE A 14 8.197 -4.572 -4.596 1.00 0.00 H new ATOM 0 HA ILE A 14 6.005 -4.893 -6.548 1.00 0.00 H new ATOM 0 HB ILE A 14 5.017 -3.032 -5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.474 -3.370 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.382 -2.111 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.782 -4.384 -3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.676 -5.413 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.176 -5.376 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.612 -1.263 -2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.274 -1.254 -3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.368 -2.534 -2.351 1.00 0.00 H new ATOM 205 N GLY A 15 8.293 -2.700 -6.954 1.00 0.00 N ATOM 206 CA GLY A 15 8.739 -1.582 -7.837 1.00 0.00 C ATOM 207 C GLY A 15 7.919 -0.325 -7.531 1.00 0.00 C ATOM 208 O GLY A 15 7.128 -0.299 -6.609 1.00 0.00 O ATOM 0 H GLY A 15 9.032 -3.146 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.799 -1.383 -7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.618 -1.861 -8.884 1.00 0.00 H new ATOM 212 N GLU A 16 8.104 0.720 -8.298 1.00 0.00 N ATOM 213 CA GLU A 16 7.339 1.981 -8.054 1.00 0.00 C ATOM 214 C GLU A 16 6.201 2.096 -9.072 1.00 0.00 C ATOM 215 O GLU A 16 6.401 2.519 -10.193 1.00 0.00 O ATOM 216 CB GLU A 16 8.282 3.183 -8.201 1.00 0.00 C ATOM 217 CG GLU A 16 7.482 4.495 -8.210 1.00 0.00 C ATOM 218 CD GLU A 16 6.431 4.474 -7.096 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.822 4.478 -5.941 1.00 0.00 O ATOM 220 OE2 GLU A 16 5.255 4.453 -7.419 1.00 0.00 O ATOM 0 H GLU A 16 8.753 0.754 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 16 6.922 1.965 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.999 3.193 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.855 3.093 -9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.154 5.342 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.997 4.628 -9.177 1.00 0.00 H new ATOM 227 N VAL A 17 5.007 1.731 -8.689 1.00 0.00 N ATOM 228 CA VAL A 17 3.862 1.830 -9.635 1.00 0.00 C ATOM 229 C VAL A 17 3.638 3.301 -9.990 1.00 0.00 C ATOM 230 O VAL A 17 4.433 4.155 -9.653 1.00 0.00 O ATOM 231 CB VAL A 17 2.602 1.260 -8.981 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.867 -0.176 -8.528 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.225 2.114 -7.768 1.00 0.00 C ATOM 0 H VAL A 17 4.777 1.369 -7.763 1.00 0.00 H new ATOM 0 HA VAL A 17 4.081 1.262 -10.539 1.00 0.00 H new ATOM 0 HB VAL A 17 1.784 1.269 -9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.969 -0.582 -8.062 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.136 -0.786 -9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.685 -0.185 -7.808 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.327 1.708 -7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.043 2.105 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.036 3.138 -8.089 1.00 0.00 H new ATOM 243 N THR A 18 2.566 3.610 -10.666 1.00 0.00 N ATOM 244 CA THR A 18 2.313 5.031 -11.031 1.00 0.00 C ATOM 245 C THR A 18 1.996 5.825 -9.764 1.00 0.00 C ATOM 246 O THR A 18 1.156 5.448 -8.975 1.00 0.00 O ATOM 247 CB THR A 18 1.127 5.103 -12.007 1.00 0.00 C ATOM 248 OG1 THR A 18 0.528 3.819 -12.109 1.00 0.00 O ATOM 249 CG2 THR A 18 1.615 5.546 -13.389 1.00 0.00 C ATOM 0 H THR A 18 1.859 2.945 -10.979 1.00 0.00 H new ATOM 0 HA THR A 18 3.196 5.455 -11.510 1.00 0.00 H new ATOM 0 HB THR A 18 0.398 5.824 -11.637 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.230 3.860 -12.729 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.769 5.595 -14.075 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.078 6.530 -13.313 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.346 4.829 -13.764 1.00 0.00 H new ATOM 257 N LYS A 19 2.645 6.938 -9.581 1.00 0.00 N ATOM 258 CA LYS A 19 2.363 7.774 -8.384 1.00 0.00 C ATOM 259 C LYS A 19 0.873 8.083 -8.383 1.00 0.00 C ATOM 260 O LYS A 19 0.150 7.719 -7.478 1.00 0.00 O ATOM 261 CB LYS A 19 3.160 9.078 -8.474 1.00 0.00 C ATOM 262 CG LYS A 19 3.325 9.486 -9.951 1.00 0.00 C ATOM 263 CD LYS A 19 4.814 9.503 -10.329 1.00 0.00 C ATOM 264 CE LYS A 19 5.348 8.065 -10.388 1.00 0.00 C ATOM 265 NZ LYS A 19 4.974 7.452 -11.694 1.00 0.00 N ATOM 0 H LYS A 19 3.360 7.306 -10.209 1.00 0.00 H new ATOM 0 HA LYS A 19 2.648 7.252 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.648 9.867 -7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.138 8.950 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.787 8.788 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.888 10.471 -10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.949 9.991 -11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.378 10.081 -9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.432 8.062 -10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.936 7.478 -9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.071 6.418 -11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.989 7.695 -11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.601 7.815 -12.440 1.00 0.00 H new ATOM 279 N GLU A 20 0.410 8.730 -9.417 1.00 0.00 N ATOM 280 CA GLU A 20 -1.034 9.043 -9.525 1.00 0.00 C ATOM 281 C GLU A 20 -1.815 7.817 -9.069 1.00 0.00 C ATOM 282 O GLU A 20 -2.810 7.916 -8.387 1.00 0.00 O ATOM 283 CB GLU A 20 -1.358 9.376 -10.982 1.00 0.00 C ATOM 284 CG GLU A 20 -2.864 9.216 -11.269 1.00 0.00 C ATOM 285 CD GLU A 20 -3.077 8.145 -12.342 1.00 0.00 C ATOM 286 OE1 GLU A 20 -3.829 8.402 -13.268 1.00 0.00 O ATOM 287 OE2 GLU A 20 -2.484 7.086 -12.219 1.00 0.00 O ATOM 0 H GLU A 20 0.980 9.056 -10.197 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.302 9.898 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.050 10.398 -11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.788 8.723 -11.643 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.390 8.938 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.283 10.166 -11.602 1.00 0.00 H new ATOM 294 N ASP A 21 -1.350 6.655 -9.420 1.00 0.00 N ATOM 295 CA ASP A 21 -2.057 5.422 -8.980 1.00 0.00 C ATOM 296 C ASP A 21 -2.316 5.538 -7.480 1.00 0.00 C ATOM 297 O ASP A 21 -3.386 5.235 -6.995 1.00 0.00 O ATOM 298 CB ASP A 21 -1.192 4.187 -9.272 1.00 0.00 C ATOM 299 CG ASP A 21 -2.091 2.958 -9.428 1.00 0.00 C ATOM 300 OD1 ASP A 21 -2.900 2.725 -8.545 1.00 0.00 O ATOM 301 OD2 ASP A 21 -1.954 2.271 -10.426 1.00 0.00 O ATOM 0 H ASP A 21 -0.517 6.504 -9.989 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.999 5.313 -9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.611 4.343 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.480 4.029 -8.462 1.00 0.00 H new ATOM 306 N LEU A 22 -1.346 6.011 -6.747 1.00 0.00 N ATOM 307 CA LEU A 22 -1.533 6.182 -5.280 1.00 0.00 C ATOM 308 C LEU A 22 -2.456 7.370 -5.050 1.00 0.00 C ATOM 309 O LEU A 22 -3.089 7.498 -4.022 1.00 0.00 O ATOM 310 CB LEU A 22 -0.182 6.451 -4.612 1.00 0.00 C ATOM 311 CG LEU A 22 0.620 5.153 -4.515 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.744 4.517 -5.902 1.00 0.00 C ATOM 313 CD2 LEU A 22 2.017 5.462 -3.969 1.00 0.00 C ATOM 0 H LEU A 22 -0.430 6.287 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.965 5.277 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.376 7.191 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.336 6.869 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 22 0.109 4.460 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.316 3.592 -5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.250 4.299 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.254 5.207 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.592 4.539 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.525 6.155 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.930 5.912 -2.980 1.00 0.00 H new ATOM 325 N LEU A 23 -2.532 8.235 -6.014 1.00 0.00 N ATOM 326 CA LEU A 23 -3.405 9.426 -5.892 1.00 0.00 C ATOM 327 C LEU A 23 -4.848 9.010 -6.178 1.00 0.00 C ATOM 328 O LEU A 23 -5.716 9.173 -5.344 1.00 0.00 O ATOM 329 CB LEU A 23 -2.917 10.477 -6.893 1.00 0.00 C ATOM 330 CG LEU A 23 -1.416 10.736 -6.664 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.964 11.940 -7.504 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.157 11.032 -5.180 1.00 0.00 C ATOM 0 H LEU A 23 -2.019 8.166 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.366 9.850 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.087 10.132 -7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.481 11.402 -6.771 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.855 9.850 -6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.098 12.120 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.138 11.733 -8.560 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.532 12.823 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.093 11.214 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.723 11.914 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.470 10.178 -4.579 1.00 0.00 H new ATOM 344 N LEU A 24 -5.126 8.445 -7.325 1.00 0.00 N ATOM 345 CA LEU A 24 -6.521 8.012 -7.575 1.00 0.00 C ATOM 346 C LEU A 24 -6.895 7.014 -6.496 1.00 0.00 C ATOM 347 O LEU A 24 -7.961 7.083 -5.939 1.00 0.00 O ATOM 348 CB LEU A 24 -6.680 7.366 -8.956 1.00 0.00 C ATOM 349 CG LEU A 24 -5.776 6.131 -9.098 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.586 4.855 -8.837 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.219 6.079 -10.527 1.00 0.00 C ATOM 0 H LEU A 24 -4.461 8.270 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.175 8.883 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.720 7.078 -9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.433 8.092 -9.731 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.962 6.198 -8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.937 3.985 -8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.996 4.885 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.401 4.787 -9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.576 5.205 -10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.044 6.013 -11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.641 6.981 -10.725 1.00 0.00 H new ATOM 363 N LYS A 25 -6.017 6.100 -6.163 1.00 0.00 N ATOM 364 CA LYS A 25 -6.352 5.133 -5.085 1.00 0.00 C ATOM 365 C LYS A 25 -6.885 5.941 -3.901 1.00 0.00 C ATOM 366 O LYS A 25 -7.887 5.609 -3.298 1.00 0.00 O ATOM 367 CB LYS A 25 -5.094 4.354 -4.680 1.00 0.00 C ATOM 368 CG LYS A 25 -4.843 3.224 -5.689 1.00 0.00 C ATOM 369 CD LYS A 25 -3.410 2.700 -5.541 1.00 0.00 C ATOM 370 CE LYS A 25 -3.277 1.339 -6.240 1.00 0.00 C ATOM 371 NZ LYS A 25 -4.306 1.219 -7.313 1.00 0.00 N ATOM 0 H LYS A 25 -5.096 5.986 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.099 4.414 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.234 5.023 -4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.216 3.941 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.554 2.414 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.003 3.589 -6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.707 3.411 -5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.156 2.603 -4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.279 1.235 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.399 0.534 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.098 0.387 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.246 1.112 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.292 2.074 -7.905 1.00 0.00 H new ATOM 385 N SER A 26 -6.226 7.024 -3.596 1.00 0.00 N ATOM 386 CA SER A 26 -6.672 7.909 -2.489 1.00 0.00 C ATOM 387 C SER A 26 -7.963 8.620 -2.917 1.00 0.00 C ATOM 388 O SER A 26 -8.388 9.575 -2.297 1.00 0.00 O ATOM 389 CB SER A 26 -5.585 8.959 -2.224 1.00 0.00 C ATOM 390 OG SER A 26 -5.711 9.445 -0.894 1.00 0.00 O ATOM 0 H SER A 26 -5.383 7.337 -4.077 1.00 0.00 H new ATOM 0 HA SER A 26 -6.849 7.324 -1.587 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.598 8.521 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.678 9.781 -2.934 1.00 0.00 H new ATOM 0 HG SER A 26 -6.642 9.700 -0.726 1.00 0.00 H new ATOM 396 N LYS A 27 -8.565 8.192 -3.998 1.00 0.00 N ATOM 397 CA LYS A 27 -9.796 8.881 -4.485 1.00 0.00 C ATOM 398 C LYS A 27 -10.779 9.103 -3.332 1.00 0.00 C ATOM 399 O LYS A 27 -11.254 10.204 -3.137 1.00 0.00 O ATOM 400 CB LYS A 27 -10.470 8.074 -5.608 1.00 0.00 C ATOM 401 CG LYS A 27 -10.372 6.563 -5.341 1.00 0.00 C ATOM 402 CD LYS A 27 -11.669 5.878 -5.777 1.00 0.00 C ATOM 403 CE LYS A 27 -11.823 6.019 -7.293 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.070 5.333 -7.733 1.00 0.00 N ATOM 0 H LYS A 27 -8.258 7.399 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.502 9.850 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.517 8.364 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.998 8.309 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.526 6.142 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.192 6.382 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.651 4.825 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.522 6.328 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.859 7.073 -7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.960 5.586 -7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.174 5.429 -8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.018 4.325 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.889 5.765 -7.260 1.00 0.00 H new ATOM 418 N GLY A 28 -11.087 8.098 -2.550 1.00 0.00 N ATOM 419 CA GLY A 28 -12.027 8.334 -1.421 1.00 0.00 C ATOM 420 C GLY A 28 -12.920 7.125 -1.192 1.00 0.00 C ATOM 421 O GLY A 28 -13.833 7.179 -0.399 1.00 0.00 O ATOM 0 H GLY A 28 -10.735 7.145 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.463 8.551 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.641 9.209 -1.632 1.00 0.00 H new ATOM 425 N THR A 29 -12.699 6.039 -1.874 1.00 0.00 N ATOM 426 CA THR A 29 -13.584 4.869 -1.645 1.00 0.00 C ATOM 427 C THR A 29 -12.927 3.565 -2.124 1.00 0.00 C ATOM 428 O THR A 29 -12.190 3.540 -3.091 1.00 0.00 O ATOM 429 CB THR A 29 -14.890 5.097 -2.408 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.747 6.233 -3.250 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.047 5.330 -1.432 1.00 0.00 C ATOM 0 H THR A 29 -11.960 5.912 -2.566 1.00 0.00 H new ATOM 0 HA THR A 29 -13.772 4.771 -0.576 1.00 0.00 H new ATOM 0 HB THR A 29 -15.109 4.213 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.581 6.382 -3.742 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.968 5.490 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.161 4.458 -0.788 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.836 6.208 -0.821 1.00 0.00 H new ATOM 439 N CYS A 30 -13.240 2.474 -1.472 1.00 0.00 N ATOM 440 CA CYS A 30 -12.694 1.148 -1.895 1.00 0.00 C ATOM 441 C CYS A 30 -13.205 0.869 -3.309 1.00 0.00 C ATOM 442 O CYS A 30 -14.329 1.193 -3.637 1.00 0.00 O ATOM 443 CB CYS A 30 -13.207 0.051 -0.948 1.00 0.00 C ATOM 444 SG CYS A 30 -12.531 -1.558 -1.452 1.00 0.00 S ATOM 0 H CYS A 30 -13.855 2.445 -0.659 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.604 1.158 -1.868 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.912 0.275 0.077 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.296 0.021 -0.967 1.00 0.00 H new ATOM 0 HG CYS A 30 -13.334 -2.506 -1.068 1.00 0.00 H new ATOM 449 N GLN A 31 -12.408 0.287 -4.160 1.00 0.00 N ATOM 450 CA GLN A 31 -12.897 0.026 -5.543 1.00 0.00 C ATOM 451 C GLN A 31 -13.780 -1.222 -5.562 1.00 0.00 C ATOM 452 O GLN A 31 -14.476 -1.479 -6.524 1.00 0.00 O ATOM 453 CB GLN A 31 -11.717 -0.160 -6.501 1.00 0.00 C ATOM 454 CG GLN A 31 -10.774 -1.256 -5.991 1.00 0.00 C ATOM 455 CD GLN A 31 -11.368 -2.634 -6.289 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.304 -2.753 -7.054 1.00 0.00 O ATOM 457 NE2 GLN A 31 -10.855 -3.687 -5.715 1.00 0.00 N ATOM 0 H GLN A 31 -11.454 -0.015 -3.963 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.484 0.884 -5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.085 -0.422 -7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.172 0.778 -6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.799 -1.160 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.617 -1.142 -4.918 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.069 -3.586 -5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.240 -4.612 -5.908 1.00 0.00 H new ATOM 466 N SER A 32 -13.763 -1.998 -4.511 1.00 0.00 N ATOM 467 CA SER A 32 -14.610 -3.227 -4.476 1.00 0.00 C ATOM 468 C SER A 32 -15.695 -3.078 -3.406 1.00 0.00 C ATOM 469 O SER A 32 -16.635 -3.846 -3.357 1.00 0.00 O ATOM 470 CB SER A 32 -13.739 -4.440 -4.150 1.00 0.00 C ATOM 471 OG SER A 32 -12.935 -4.756 -5.278 1.00 0.00 O ATOM 0 H SER A 32 -13.200 -1.835 -3.676 1.00 0.00 H new ATOM 0 HA SER A 32 -15.080 -3.366 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.108 -4.228 -3.287 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.366 -5.292 -3.885 1.00 0.00 H new ATOM 0 HG SER A 32 -12.623 -5.682 -5.208 1.00 0.00 H new ATOM 477 N CYS A 33 -15.572 -2.098 -2.545 1.00 0.00 N ATOM 478 CA CYS A 33 -16.600 -1.907 -1.476 1.00 0.00 C ATOM 479 C CYS A 33 -17.131 -0.473 -1.503 1.00 0.00 C ATOM 480 O CYS A 33 -18.205 -0.196 -1.007 1.00 0.00 O ATOM 481 CB CYS A 33 -15.977 -2.187 -0.105 1.00 0.00 C ATOM 482 SG CYS A 33 -15.191 -3.811 -0.120 1.00 0.00 S ATOM 0 H CYS A 33 -14.806 -1.424 -2.536 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.423 -2.598 -1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.243 -1.418 0.136 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.744 -2.150 0.669 1.00 0.00 H new ATOM 0 HG CYS A 33 -15.225 -4.321 1.075 1.00 0.00 H new ATOM 487 N GLY A 34 -16.392 0.452 -2.059 1.00 0.00 N ATOM 488 CA GLY A 34 -16.885 1.859 -2.081 1.00 0.00 C ATOM 489 C GLY A 34 -17.268 2.257 -0.656 1.00 0.00 C ATOM 490 O GLY A 34 -18.426 2.446 -0.339 1.00 0.00 O ATOM 0 H GLY A 34 -15.482 0.297 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.114 2.525 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.745 1.949 -2.744 1.00 0.00 H new ATOM 494 N VAL A 35 -16.298 2.342 0.214 1.00 0.00 N ATOM 495 CA VAL A 35 -16.584 2.679 1.640 1.00 0.00 C ATOM 496 C VAL A 35 -16.228 4.136 1.965 1.00 0.00 C ATOM 497 O VAL A 35 -17.021 4.843 2.552 1.00 0.00 O ATOM 498 CB VAL A 35 -15.769 1.739 2.534 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.079 0.284 2.153 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.274 2.015 2.337 1.00 0.00 C ATOM 0 H VAL A 35 -15.313 2.192 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.652 2.556 1.819 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.032 1.906 3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.501 -0.389 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.143 0.090 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.814 0.117 1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.694 1.346 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.007 1.846 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.057 3.049 2.604 1.00 0.00 H new ATOM 510 N THR A 36 -15.051 4.597 1.614 1.00 0.00 N ATOM 511 CA THR A 36 -14.680 6.007 1.942 1.00 0.00 C ATOM 512 C THR A 36 -13.172 6.186 1.740 1.00 0.00 C ATOM 513 O THR A 36 -12.489 5.284 1.305 1.00 0.00 O ATOM 514 CB THR A 36 -15.039 6.322 3.409 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.372 5.121 4.091 1.00 0.00 O ATOM 516 CG2 THR A 36 -16.226 7.294 3.471 1.00 0.00 C ATOM 0 H THR A 36 -14.338 4.062 1.119 1.00 0.00 H new ATOM 0 HA THR A 36 -15.229 6.685 1.289 1.00 0.00 H new ATOM 0 HB THR A 36 -14.177 6.786 3.888 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.344 4.996 4.078 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.468 7.507 4.512 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.964 8.222 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 36 -17.090 6.844 2.982 1.00 0.00 H new ATOM 524 N GLY A 37 -12.656 7.349 2.043 1.00 0.00 N ATOM 525 CA GLY A 37 -11.197 7.600 1.856 1.00 0.00 C ATOM 526 C GLY A 37 -10.435 7.307 3.145 1.00 0.00 C ATOM 527 O GLY A 37 -9.533 6.494 3.170 1.00 0.00 O ATOM 0 H GLY A 37 -13.185 8.138 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.815 6.974 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.035 8.636 1.559 1.00 0.00 H new ATOM 531 N PRO A 38 -10.777 7.973 4.207 1.00 0.00 N ATOM 532 CA PRO A 38 -10.094 7.769 5.503 1.00 0.00 C ATOM 533 C PRO A 38 -10.005 6.287 5.865 1.00 0.00 C ATOM 534 O PRO A 38 -10.949 5.538 5.715 1.00 0.00 O ATOM 535 CB PRO A 38 -10.957 8.517 6.517 1.00 0.00 C ATOM 536 CG PRO A 38 -11.757 9.508 5.727 1.00 0.00 C ATOM 537 CD PRO A 38 -11.841 8.984 4.288 1.00 0.00 C ATOM 0 HA PRO A 38 -9.067 8.132 5.477 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.609 7.830 7.056 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.338 9.019 7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.754 9.623 6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.284 10.490 5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.819 8.550 4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.686 9.784 3.564 1.00 0.00 H new ATOM 545 N ASN A 39 -8.868 5.872 6.331 1.00 0.00 N ATOM 546 CA ASN A 39 -8.664 4.447 6.714 1.00 0.00 C ATOM 547 C ASN A 39 -8.762 3.550 5.475 1.00 0.00 C ATOM 548 O ASN A 39 -9.206 2.422 5.550 1.00 0.00 O ATOM 549 CB ASN A 39 -9.709 4.023 7.764 1.00 0.00 C ATOM 550 CG ASN A 39 -9.124 4.191 9.169 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.355 5.101 9.414 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.456 3.348 10.107 1.00 0.00 N ATOM 0 H ASN A 39 -8.052 6.469 6.467 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.670 4.338 7.148 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.610 4.628 7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.001 2.985 7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.071 3.452 11.046 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.101 2.585 9.902 1.00 0.00 H new ATOM 559 N LEU A 40 -8.326 4.025 4.336 1.00 0.00 N ATOM 560 CA LEU A 40 -8.378 3.168 3.118 1.00 0.00 C ATOM 561 C LEU A 40 -7.082 2.362 3.043 1.00 0.00 C ATOM 562 O LEU A 40 -6.179 2.541 3.836 1.00 0.00 O ATOM 563 CB LEU A 40 -8.490 4.034 1.849 1.00 0.00 C ATOM 564 CG LEU A 40 -9.952 4.257 1.420 1.00 0.00 C ATOM 565 CD1 LEU A 40 -9.953 4.841 0.004 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.730 2.931 1.403 1.00 0.00 C ATOM 0 H LEU A 40 -7.941 4.959 4.199 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.248 2.514 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.015 4.999 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.944 3.555 1.036 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.430 4.933 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.980 5.007 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.414 5.788 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.466 4.144 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.759 3.117 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.261 2.243 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.722 2.492 2.401 1.00 0.00 H new ATOM 578 N TRP A 41 -6.977 1.487 2.087 1.00 0.00 N ATOM 579 CA TRP A 41 -5.732 0.681 1.948 1.00 0.00 C ATOM 580 C TRP A 41 -5.677 0.079 0.543 1.00 0.00 C ATOM 581 O TRP A 41 -6.246 -0.963 0.276 1.00 0.00 O ATOM 582 CB TRP A 41 -5.712 -0.431 3.008 1.00 0.00 C ATOM 583 CG TRP A 41 -4.492 -0.289 3.867 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.223 -0.203 3.405 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.403 -0.213 5.321 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.363 -0.078 4.482 1.00 0.00 N ATOM 587 CE2 TRP A 41 -3.042 -0.081 5.683 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.361 -0.247 6.349 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.647 0.016 7.019 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.967 -0.150 7.694 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.612 -0.018 8.027 1.00 0.00 C ATOM 0 H TRP A 41 -7.699 1.293 1.394 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.861 1.319 2.098 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.610 -0.376 3.623 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.716 -1.408 2.524 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.929 -0.228 2.366 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.350 0.006 4.398 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.408 -0.348 6.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.602 0.117 7.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.712 -0.177 8.475 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.315 0.057 9.063 1.00 0.00 H new ATOM 602 N ALA A 42 -5.012 0.735 -0.364 1.00 0.00 N ATOM 603 CA ALA A 42 -4.933 0.213 -1.751 1.00 0.00 C ATOM 604 C ALA A 42 -3.706 -0.682 -1.917 1.00 0.00 C ATOM 605 O ALA A 42 -2.640 -0.402 -1.407 1.00 0.00 O ATOM 606 CB ALA A 42 -4.833 1.389 -2.719 1.00 0.00 C ATOM 0 H ALA A 42 -4.519 1.613 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.827 -0.375 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.774 1.015 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.714 2.022 -2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.939 1.971 -2.494 1.00 0.00 H new ATOM 612 N CYS A 43 -3.854 -1.751 -2.649 1.00 0.00 N ATOM 613 CA CYS A 43 -2.706 -2.669 -2.881 1.00 0.00 C ATOM 614 C CYS A 43 -1.576 -1.884 -3.542 1.00 0.00 C ATOM 615 O CYS A 43 -1.812 -0.904 -4.220 1.00 0.00 O ATOM 616 CB CYS A 43 -3.143 -3.802 -3.802 1.00 0.00 C ATOM 617 SG CYS A 43 -1.863 -5.076 -3.839 1.00 0.00 S ATOM 0 H CYS A 43 -4.726 -2.029 -3.099 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.364 -3.086 -1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.084 -4.227 -3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.320 -3.420 -4.807 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.985 -5.782 -4.924 1.00 0.00 H new ATOM 622 N LEU A 44 -0.351 -2.289 -3.342 1.00 0.00 N ATOM 623 CA LEU A 44 0.779 -1.534 -3.955 1.00 0.00 C ATOM 624 C LEU A 44 1.793 -2.487 -4.596 1.00 0.00 C ATOM 625 O LEU A 44 2.981 -2.358 -4.385 1.00 0.00 O ATOM 626 CB LEU A 44 1.470 -0.709 -2.867 1.00 0.00 C ATOM 627 CG LEU A 44 2.425 0.309 -3.507 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.638 1.519 -4.019 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.440 0.775 -2.462 1.00 0.00 C ATOM 0 H LEU A 44 -0.085 -3.102 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 44 0.385 -0.881 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.725 -0.191 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.023 -1.367 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 44 2.941 -0.163 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.325 2.235 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.912 1.192 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.116 1.992 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.120 1.498 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.916 1.241 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.009 -0.081 -2.100 1.00 0.00 H new ATOM 641 N GLN A 45 1.354 -3.432 -5.390 1.00 0.00 N ATOM 642 CA GLN A 45 2.338 -4.348 -6.038 1.00 0.00 C ATOM 643 C GLN A 45 2.660 -3.831 -7.444 1.00 0.00 C ATOM 644 O GLN A 45 1.838 -3.226 -8.104 1.00 0.00 O ATOM 645 CB GLN A 45 1.787 -5.772 -6.135 1.00 0.00 C ATOM 646 CG GLN A 45 1.015 -6.136 -4.859 1.00 0.00 C ATOM 647 CD GLN A 45 1.804 -7.185 -4.070 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.180 -8.209 -4.607 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.075 -6.971 -2.812 1.00 0.00 N ATOM 0 H GLN A 45 0.374 -3.606 -5.614 1.00 0.00 H new ATOM 0 HA GLN A 45 3.241 -4.371 -5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.131 -5.856 -7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.606 -6.476 -6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.859 -5.247 -4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.029 -6.523 -5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.760 -6.112 -2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.602 -7.663 -2.279 1.00 0.00 H new ATOM 658 N VAL A 46 3.861 -4.057 -7.887 1.00 0.00 N ATOM 659 CA VAL A 46 4.290 -3.583 -9.238 1.00 0.00 C ATOM 660 C VAL A 46 3.179 -3.756 -10.281 1.00 0.00 C ATOM 661 O VAL A 46 3.208 -3.126 -11.320 1.00 0.00 O ATOM 662 CB VAL A 46 5.516 -4.386 -9.686 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.096 -5.817 -10.030 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.131 -3.725 -10.922 1.00 0.00 C ATOM 0 H VAL A 46 4.579 -4.558 -7.365 1.00 0.00 H new ATOM 0 HA VAL A 46 4.525 -2.521 -9.162 1.00 0.00 H new ATOM 0 HB VAL A 46 6.249 -4.409 -8.880 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.970 -6.386 -10.348 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.656 -6.288 -9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.363 -5.797 -10.836 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.003 -4.294 -11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.396 -3.703 -11.727 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.432 -2.706 -10.678 1.00 0.00 H new ATOM 674 N ALA A 47 2.213 -4.606 -10.047 1.00 0.00 N ATOM 675 CA ALA A 47 1.146 -4.789 -11.081 1.00 0.00 C ATOM 676 C ALA A 47 -0.204 -5.114 -10.435 1.00 0.00 C ATOM 677 O ALA A 47 -0.847 -6.082 -10.786 1.00 0.00 O ATOM 678 CB ALA A 47 1.544 -5.936 -12.013 1.00 0.00 C ATOM 0 H ALA A 47 2.115 -5.172 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 47 1.045 -3.858 -11.639 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.771 -6.075 -12.769 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.490 -5.698 -12.500 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.655 -6.853 -11.434 1.00 0.00 H new ATOM 684 N CYS A 48 -0.653 -4.309 -9.509 1.00 0.00 N ATOM 685 CA CYS A 48 -1.974 -4.577 -8.872 1.00 0.00 C ATOM 686 C CYS A 48 -2.684 -3.254 -8.575 1.00 0.00 C ATOM 687 O CYS A 48 -2.647 -2.761 -7.466 1.00 0.00 O ATOM 688 CB CYS A 48 -1.764 -5.336 -7.567 1.00 0.00 C ATOM 689 SG CYS A 48 -3.325 -6.096 -7.066 1.00 0.00 S ATOM 0 H CYS A 48 -0.164 -3.481 -9.168 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.584 -5.172 -9.551 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.998 -6.101 -7.696 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.410 -4.658 -6.791 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.109 -6.931 -6.093 1.00 0.00 H new ATOM 694 N PRO A 49 -3.330 -2.685 -9.559 1.00 0.00 N ATOM 695 CA PRO A 49 -4.062 -1.403 -9.396 1.00 0.00 C ATOM 696 C PRO A 49 -5.485 -1.608 -8.863 1.00 0.00 C ATOM 697 O PRO A 49 -6.387 -1.962 -9.595 1.00 0.00 O ATOM 698 CB PRO A 49 -4.094 -0.848 -10.820 1.00 0.00 C ATOM 699 CG PRO A 49 -4.110 -2.054 -11.710 1.00 0.00 C ATOM 700 CD PRO A 49 -3.432 -3.195 -10.935 1.00 0.00 C ATOM 0 HA PRO A 49 -3.586 -0.742 -8.672 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.976 -0.228 -10.981 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.223 -0.223 -11.019 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.132 -2.323 -11.976 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.581 -1.853 -12.641 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.021 -4.111 -10.978 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.450 -3.428 -11.347 1.00 0.00 H new ATOM 708 N TYR A 50 -5.686 -1.373 -7.594 1.00 0.00 N ATOM 709 CA TYR A 50 -7.037 -1.537 -6.987 1.00 0.00 C ATOM 710 C TYR A 50 -6.998 -0.949 -5.577 1.00 0.00 C ATOM 711 O TYR A 50 -6.086 -1.218 -4.820 1.00 0.00 O ATOM 712 CB TYR A 50 -7.395 -3.026 -6.900 1.00 0.00 C ATOM 713 CG TYR A 50 -7.752 -3.553 -8.270 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.943 -3.151 -8.888 1.00 0.00 C ATOM 715 CD2 TYR A 50 -6.890 -4.444 -8.923 1.00 0.00 C ATOM 716 CE1 TYR A 50 -9.271 -3.639 -10.159 1.00 0.00 C ATOM 717 CE2 TYR A 50 -7.221 -4.931 -10.193 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.411 -4.529 -10.811 1.00 0.00 C ATOM 719 OH TYR A 50 -8.735 -5.011 -12.063 1.00 0.00 O ATOM 0 H TYR A 50 -4.961 -1.070 -6.944 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.783 -1.029 -7.598 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.554 -3.587 -6.493 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.233 -3.168 -6.217 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.608 -2.465 -8.385 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.972 -4.755 -8.447 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.189 -3.328 -10.636 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.557 -5.618 -10.697 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.030 -5.617 -12.373 1.00 0.00 H new ATOM 729 N VAL A 51 -7.963 -0.146 -5.209 1.00 0.00 N ATOM 730 CA VAL A 51 -7.939 0.447 -3.840 1.00 0.00 C ATOM 731 C VAL A 51 -8.908 -0.308 -2.932 1.00 0.00 C ATOM 732 O VAL A 51 -10.111 -0.180 -3.031 1.00 0.00 O ATOM 733 CB VAL A 51 -8.304 1.934 -3.908 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.476 2.140 -4.872 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.684 2.448 -2.513 1.00 0.00 C ATOM 0 H VAL A 51 -8.757 0.122 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.935 0.358 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.440 2.492 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.730 3.199 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.194 1.794 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.339 1.574 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.942 3.505 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.540 1.887 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.841 2.318 -1.835 1.00 0.00 H new ATOM 745 N GLY A 52 -8.378 -1.108 -2.047 1.00 0.00 N ATOM 746 CA GLY A 52 -9.240 -1.898 -1.130 1.00 0.00 C ATOM 747 C GLY A 52 -9.614 -1.066 0.098 1.00 0.00 C ATOM 748 O GLY A 52 -9.328 0.112 0.178 1.00 0.00 O ATOM 0 H GLY A 52 -7.375 -1.247 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.143 -2.214 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.718 -2.803 -0.819 1.00 0.00 H new ATOM 752 N CYS A 53 -10.261 -1.679 1.052 1.00 0.00 N ATOM 753 CA CYS A 53 -10.671 -0.949 2.281 1.00 0.00 C ATOM 754 C CYS A 53 -9.682 -1.215 3.393 1.00 0.00 C ATOM 755 O CYS A 53 -8.834 -2.082 3.321 1.00 0.00 O ATOM 756 CB CYS A 53 -12.015 -1.479 2.808 1.00 0.00 C ATOM 757 SG CYS A 53 -12.340 -3.123 2.124 1.00 0.00 S ATOM 0 H CYS A 53 -10.525 -2.664 1.030 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.729 0.107 2.018 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.996 -1.526 3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.818 -0.796 2.533 1.00 0.00 H new ATOM 0 HG CYS A 53 -13.375 -3.070 1.340 1.00 0.00 H new ATOM 762 N GLY A 54 -9.878 -0.513 4.456 1.00 0.00 N ATOM 763 CA GLY A 54 -9.076 -0.720 5.674 1.00 0.00 C ATOM 764 C GLY A 54 -10.099 -1.167 6.702 1.00 0.00 C ATOM 765 O GLY A 54 -11.276 -0.942 6.509 1.00 0.00 O ATOM 0 H GLY A 54 -10.584 0.219 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.304 -1.474 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.571 0.196 5.982 1.00 0.00 H new ATOM 769 N GLU A 55 -9.710 -1.813 7.758 1.00 0.00 N ATOM 770 CA GLU A 55 -10.731 -2.270 8.755 1.00 0.00 C ATOM 771 C GLU A 55 -11.966 -1.389 8.660 1.00 0.00 C ATOM 772 O GLU A 55 -13.084 -1.850 8.777 1.00 0.00 O ATOM 773 CB GLU A 55 -10.161 -2.164 10.160 1.00 0.00 C ATOM 774 CG GLU A 55 -10.030 -0.690 10.559 1.00 0.00 C ATOM 775 CD GLU A 55 -9.104 -0.569 11.771 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.097 0.110 11.657 1.00 0.00 O ATOM 777 OE2 GLU A 55 -9.417 -1.158 12.793 1.00 0.00 O ATOM 0 H GLU A 55 -8.742 -2.047 7.981 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.996 -3.306 8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.809 -2.685 10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.186 -2.650 10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.633 -0.111 9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.011 -0.278 10.795 1.00 0.00 H new ATOM 784 N SER A 56 -11.757 -0.130 8.419 1.00 0.00 N ATOM 785 CA SER A 56 -12.896 0.814 8.268 1.00 0.00 C ATOM 786 C SER A 56 -14.101 0.055 7.712 1.00 0.00 C ATOM 787 O SER A 56 -15.221 0.240 8.143 1.00 0.00 O ATOM 788 CB SER A 56 -12.488 1.915 7.289 1.00 0.00 C ATOM 789 OG SER A 56 -12.290 3.128 8.002 1.00 0.00 O ATOM 0 H SER A 56 -10.834 0.292 8.319 1.00 0.00 H new ATOM 0 HA SER A 56 -13.157 1.253 9.231 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.573 1.633 6.767 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.260 2.047 6.531 1.00 0.00 H new ATOM 0 HG SER A 56 -12.561 3.885 7.441 1.00 0.00 H new ATOM 795 N PHE A 57 -13.866 -0.814 6.758 1.00 0.00 N ATOM 796 CA PHE A 57 -14.990 -1.607 6.173 1.00 0.00 C ATOM 797 C PHE A 57 -14.722 -3.093 6.372 1.00 0.00 C ATOM 798 O PHE A 57 -15.076 -3.677 7.377 1.00 0.00 O ATOM 799 CB PHE A 57 -15.097 -1.330 4.679 1.00 0.00 C ATOM 800 CG PHE A 57 -16.208 -2.171 4.093 1.00 0.00 C ATOM 801 CD1 PHE A 57 -15.914 -3.173 3.159 1.00 0.00 C ATOM 802 CD2 PHE A 57 -17.533 -1.950 4.486 1.00 0.00 C ATOM 803 CE1 PHE A 57 -16.945 -3.952 2.619 1.00 0.00 C ATOM 804 CE2 PHE A 57 -18.564 -2.728 3.946 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.270 -3.729 3.012 1.00 0.00 C ATOM 0 H PHE A 57 -12.947 -1.007 6.361 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.918 -1.322 6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.297 -0.272 4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.152 -1.560 4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.892 -3.345 2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.760 -1.178 5.207 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.718 -4.725 1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.586 -2.556 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.065 -4.329 2.595 1.00 0.00 H new ATOM 815 N ALA A 58 -14.095 -3.701 5.408 1.00 0.00 N ATOM 816 CA ALA A 58 -13.778 -5.157 5.500 1.00 0.00 C ATOM 817 C ALA A 58 -12.267 -5.330 5.404 1.00 0.00 C ATOM 818 O ALA A 58 -11.744 -6.426 5.468 1.00 0.00 O ATOM 819 CB ALA A 58 -14.453 -5.901 4.346 1.00 0.00 C ATOM 0 H ALA A 58 -13.783 -3.249 4.548 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.141 -5.561 6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.221 -6.964 4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.532 -5.760 4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.087 -5.509 3.397 1.00 0.00 H new ATOM 825 N ASP A 59 -11.564 -4.245 5.252 1.00 0.00 N ATOM 826 CA ASP A 59 -10.082 -4.311 5.151 1.00 0.00 C ATOM 827 C ASP A 59 -9.670 -5.278 4.041 1.00 0.00 C ATOM 828 O ASP A 59 -9.002 -6.261 4.288 1.00 0.00 O ATOM 829 CB ASP A 59 -9.491 -4.780 6.487 1.00 0.00 C ATOM 830 CG ASP A 59 -7.990 -5.028 6.334 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.242 -4.069 6.422 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.613 -6.170 6.137 1.00 0.00 O ATOM 0 H ASP A 59 -11.957 -3.306 5.193 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.702 -3.317 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.668 -4.028 7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.988 -5.694 6.814 1.00 0.00 H new ATOM 837 N HIS A 60 -10.032 -5.004 2.809 1.00 0.00 N ATOM 838 CA HIS A 60 -9.604 -5.917 1.710 1.00 0.00 C ATOM 839 C HIS A 60 -8.113 -6.167 1.910 1.00 0.00 C ATOM 840 O HIS A 60 -7.571 -7.170 1.516 1.00 0.00 O ATOM 841 CB HIS A 60 -9.823 -5.247 0.342 1.00 0.00 C ATOM 842 CG HIS A 60 -11.006 -5.854 -0.368 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.148 -5.119 -0.695 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.229 -7.125 -0.837 1.00 0.00 C ATOM 845 CE1 HIS A 60 -12.988 -5.958 -1.330 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.476 -7.184 -1.440 1.00 0.00 N ATOM 0 H HIS A 60 -10.595 -4.202 2.524 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.179 -6.843 1.732 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.984 -4.177 0.477 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.928 -5.360 -0.271 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.314 -4.133 -0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.539 -7.951 -0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.960 -5.672 -1.705 1.00 0.00 H new ATOM 854 N SER A 61 -7.462 -5.237 2.543 1.00 0.00 N ATOM 855 CA SER A 61 -6.005 -5.370 2.807 1.00 0.00 C ATOM 856 C SER A 61 -5.683 -6.784 3.295 1.00 0.00 C ATOM 857 O SER A 61 -4.609 -7.300 3.060 1.00 0.00 O ATOM 858 CB SER A 61 -5.614 -4.357 3.886 1.00 0.00 C ATOM 859 OG SER A 61 -4.265 -3.953 3.689 1.00 0.00 O ATOM 0 H SER A 61 -7.883 -4.377 2.894 1.00 0.00 H new ATOM 0 HA SER A 61 -5.447 -5.183 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.274 -3.491 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.732 -4.799 4.875 1.00 0.00 H new ATOM 0 HG SER A 61 -4.209 -2.975 3.717 1.00 0.00 H new ATOM 865 N THR A 62 -6.596 -7.411 3.984 1.00 0.00 N ATOM 866 CA THR A 62 -6.322 -8.779 4.494 1.00 0.00 C ATOM 867 C THR A 62 -6.735 -9.826 3.467 1.00 0.00 C ATOM 868 O THR A 62 -5.912 -10.556 2.950 1.00 0.00 O ATOM 869 CB THR A 62 -7.113 -9.019 5.775 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.366 -8.357 5.689 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.332 -8.494 6.982 1.00 0.00 C ATOM 0 H THR A 62 -7.516 -7.035 4.214 1.00 0.00 H new ATOM 0 HA THR A 62 -5.253 -8.863 4.688 1.00 0.00 H new ATOM 0 HB THR A 62 -7.275 -10.090 5.899 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.262 -7.422 5.964 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.906 -8.670 7.892 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.376 -9.013 7.050 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.157 -7.424 6.865 1.00 0.00 H new ATOM 879 N ILE A 63 -8.006 -9.931 3.183 1.00 0.00 N ATOM 880 CA ILE A 63 -8.440 -10.964 2.212 1.00 0.00 C ATOM 881 C ILE A 63 -7.722 -10.735 0.884 1.00 0.00 C ATOM 882 O ILE A 63 -7.400 -11.660 0.168 1.00 0.00 O ATOM 883 CB ILE A 63 -9.946 -10.914 1.991 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.371 -9.472 1.762 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.670 -11.477 3.216 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.772 -9.439 1.148 1.00 0.00 C ATOM 0 H ILE A 63 -8.749 -9.354 3.577 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.188 -11.945 2.614 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.205 -11.515 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.364 -8.926 2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.662 -8.974 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.747 -11.438 3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.364 -12.511 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.415 -10.883 4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.074 -8.404 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.764 -9.969 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.478 -9.920 1.825 1.00 0.00 H new ATOM 898 N HIS A 64 -7.465 -9.503 0.558 1.00 0.00 N ATOM 899 CA HIS A 64 -6.760 -9.196 -0.719 1.00 0.00 C ATOM 900 C HIS A 64 -5.303 -9.640 -0.610 1.00 0.00 C ATOM 901 O HIS A 64 -4.748 -10.209 -1.529 1.00 0.00 O ATOM 902 CB HIS A 64 -6.805 -7.693 -0.999 1.00 0.00 C ATOM 903 CG HIS A 64 -6.104 -7.424 -2.297 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.791 -7.133 -3.465 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.775 -7.423 -2.631 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.878 -6.973 -4.441 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.634 -7.140 -3.983 1.00 0.00 N ATOM 0 H HIS A 64 -7.713 -8.690 1.122 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.254 -9.727 -1.533 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.838 -7.349 -1.049 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.325 -7.143 -0.189 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.803 -7.054 -3.566 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.961 -7.613 -1.947 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.121 -6.739 -5.467 1.00 0.00 H new ATOM 915 N ALA A 65 -4.681 -9.408 0.515 1.00 0.00 N ATOM 916 CA ALA A 65 -3.266 -9.848 0.677 1.00 0.00 C ATOM 917 C ALA A 65 -3.295 -11.347 0.928 1.00 0.00 C ATOM 918 O ALA A 65 -2.322 -12.054 0.784 1.00 0.00 O ATOM 919 CB ALA A 65 -2.638 -9.133 1.877 1.00 0.00 C ATOM 0 H ALA A 65 -5.088 -8.937 1.323 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.677 -9.612 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.604 -9.457 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.665 -8.056 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.198 -9.377 2.780 1.00 0.00 H new ATOM 925 N GLN A 66 -4.434 -11.802 1.332 1.00 0.00 N ATOM 926 CA GLN A 66 -4.657 -13.232 1.648 1.00 0.00 C ATOM 927 C GLN A 66 -4.958 -14.030 0.372 1.00 0.00 C ATOM 928 O GLN A 66 -4.576 -15.176 0.241 1.00 0.00 O ATOM 929 CB GLN A 66 -5.880 -13.251 2.558 1.00 0.00 C ATOM 930 CG GLN A 66 -6.453 -14.660 2.739 1.00 0.00 C ATOM 931 CD GLN A 66 -5.957 -15.257 4.060 1.00 0.00 C ATOM 932 OE1 GLN A 66 -6.163 -14.686 5.113 1.00 0.00 O ATOM 933 NE2 GLN A 66 -5.308 -16.389 4.047 1.00 0.00 N ATOM 0 H GLN A 66 -5.259 -11.216 1.463 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.779 -13.681 2.112 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.610 -12.844 3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.649 -12.600 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.542 -14.623 2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.151 -15.295 1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.135 -16.868 3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.973 -16.795 4.921 1.00 0.00 H new ATOM 942 N ALA A 67 -5.666 -13.444 -0.555 1.00 0.00 N ATOM 943 CA ALA A 67 -6.023 -14.179 -1.801 1.00 0.00 C ATOM 944 C ALA A 67 -4.927 -13.994 -2.849 1.00 0.00 C ATOM 945 O ALA A 67 -4.529 -14.924 -3.522 1.00 0.00 O ATOM 946 CB ALA A 67 -7.356 -13.646 -2.348 1.00 0.00 C ATOM 0 H ALA A 67 -6.013 -12.486 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.122 -15.240 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.616 -14.184 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.139 -13.792 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.260 -12.583 -2.569 1.00 0.00 H new ATOM 952 N LYS A 68 -4.448 -12.793 -2.998 1.00 0.00 N ATOM 953 CA LYS A 68 -3.389 -12.527 -4.010 1.00 0.00 C ATOM 954 C LYS A 68 -2.020 -12.592 -3.342 1.00 0.00 C ATOM 955 O LYS A 68 -0.998 -12.372 -3.962 1.00 0.00 O ATOM 956 CB LYS A 68 -3.609 -11.138 -4.606 1.00 0.00 C ATOM 957 CG LYS A 68 -5.034 -11.047 -5.174 1.00 0.00 C ATOM 958 CD LYS A 68 -5.970 -10.419 -4.138 1.00 0.00 C ATOM 959 CE LYS A 68 -7.351 -10.200 -4.763 1.00 0.00 C ATOM 960 NZ LYS A 68 -7.668 -11.333 -5.678 1.00 0.00 N ATOM 0 H LYS A 68 -4.745 -11.979 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.435 -13.275 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.461 -10.375 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.879 -10.948 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.034 -10.450 -6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.391 -12.041 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.053 -11.068 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.561 -9.470 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.108 -10.127 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.368 -9.259 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.689 -11.344 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.144 -11.217 -6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.392 -12.230 -5.229 1.00 0.00 H new ATOM 974 N LYS A 69 -1.999 -12.901 -2.081 1.00 0.00 N ATOM 975 CA LYS A 69 -0.710 -12.997 -1.346 1.00 0.00 C ATOM 976 C LYS A 69 0.058 -11.672 -1.445 1.00 0.00 C ATOM 977 O LYS A 69 1.234 -11.608 -1.150 1.00 0.00 O ATOM 978 CB LYS A 69 0.137 -14.135 -1.938 1.00 0.00 C ATOM 979 CG LYS A 69 -0.068 -15.421 -1.125 1.00 0.00 C ATOM 980 CD LYS A 69 -1.569 -15.692 -0.936 1.00 0.00 C ATOM 981 CE LYS A 69 -1.821 -17.203 -0.892 1.00 0.00 C ATOM 982 NZ LYS A 69 -3.121 -17.470 -0.214 1.00 0.00 N ATOM 0 H LYS A 69 -2.829 -13.094 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.915 -13.206 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.143 -14.304 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.191 -13.856 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.400 -16.262 -1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.418 -15.328 -0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.918 -15.229 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.135 -15.243 -1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.836 -17.610 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.012 -17.702 -0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.946 -17.767 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.698 -16.605 -0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.627 -18.225 -0.719 1.00 0.00 H new ATOM 996 N HIS A 70 -0.598 -10.608 -1.826 1.00 0.00 N ATOM 997 CA HIS A 70 0.108 -9.292 -1.900 1.00 0.00 C ATOM 998 C HIS A 70 0.266 -8.778 -0.468 1.00 0.00 C ATOM 999 O HIS A 70 -0.704 -8.571 0.230 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.722 -8.315 -2.738 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.765 -8.806 -4.161 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.744 -8.401 -5.059 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.044 -9.673 -4.858 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.499 -9.018 -6.230 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.424 -9.801 -6.159 1.00 0.00 N ATOM 0 H HIS A 70 -1.584 -10.591 -2.087 1.00 0.00 H new ATOM 0 HA HIS A 70 1.086 -9.393 -2.371 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.732 -8.237 -2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.285 -7.317 -2.697 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.910 -10.177 -4.455 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.100 -8.893 -7.118 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.028 -10.374 -6.904 1.00 0.00 H new ATOM 1013 N ASN A 71 1.476 -8.606 -0.001 1.00 0.00 N ATOM 1014 CA ASN A 71 1.665 -8.154 1.407 1.00 0.00 C ATOM 1015 C ASN A 71 1.710 -6.628 1.494 1.00 0.00 C ATOM 1016 O ASN A 71 1.207 -6.041 2.430 1.00 0.00 O ATOM 1017 CB ASN A 71 2.975 -8.732 1.945 1.00 0.00 C ATOM 1018 CG ASN A 71 3.989 -8.862 0.805 1.00 0.00 C ATOM 1019 OD1 ASN A 71 4.522 -9.928 0.569 1.00 0.00 O ATOM 1020 ND2 ASN A 71 4.280 -7.814 0.084 1.00 0.00 N ATOM 0 H ASN A 71 2.335 -8.758 -0.530 1.00 0.00 H new ATOM 0 HA ASN A 71 0.822 -8.506 2.002 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.374 -8.087 2.728 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.795 -9.707 2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.955 -7.890 -0.677 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.833 -6.919 0.282 1.00 0.00 H new ATOM 1027 N LEU A 72 2.337 -5.984 0.555 1.00 0.00 N ATOM 1028 CA LEU A 72 2.453 -4.501 0.627 1.00 0.00 C ATOM 1029 C LEU A 72 1.198 -3.793 0.128 1.00 0.00 C ATOM 1030 O LEU A 72 0.648 -4.100 -0.912 1.00 0.00 O ATOM 1031 CB LEU A 72 3.645 -4.054 -0.209 1.00 0.00 C ATOM 1032 CG LEU A 72 4.932 -4.557 0.447 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.018 -4.710 -0.612 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.398 -3.557 1.511 1.00 0.00 C ATOM 0 H LEU A 72 2.774 -6.417 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 72 2.587 -4.231 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.562 -4.446 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.663 -2.967 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 72 4.740 -5.522 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.935 -5.068 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.692 -5.426 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.205 -3.745 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.315 -3.920 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.586 -2.590 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.625 -3.448 2.272 1.00 0.00 H new ATOM 1046 N THR A 73 0.783 -2.808 0.871 1.00 0.00 N ATOM 1047 CA THR A 73 -0.399 -1.987 0.503 1.00 0.00 C ATOM 1048 C THR A 73 -0.155 -0.598 1.087 1.00 0.00 C ATOM 1049 O THR A 73 0.652 -0.448 1.981 1.00 0.00 O ATOM 1050 CB THR A 73 -1.672 -2.590 1.106 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.734 -2.269 2.490 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.660 -4.110 0.935 1.00 0.00 C ATOM 0 H THR A 73 1.229 -2.531 1.745 1.00 0.00 H new ATOM 0 HA THR A 73 -0.531 -1.949 -0.578 1.00 0.00 H new ATOM 0 HB THR A 73 -2.542 -2.180 0.594 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.627 -1.929 2.707 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.568 -4.532 1.366 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.613 -4.356 -0.126 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.790 -4.526 1.443 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.809 0.423 0.603 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.544 1.785 1.164 1.00 0.00 C ATOM 1062 C VAL A 74 -1.827 2.406 1.717 1.00 0.00 C ATOM 1063 O VAL A 74 -2.827 2.524 1.040 1.00 0.00 O ATOM 1064 CB VAL A 74 0.044 2.680 0.069 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.760 2.510 -1.221 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.010 4.146 0.510 1.00 0.00 C ATOM 0 H VAL A 74 -1.503 0.379 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 74 0.168 1.694 1.984 1.00 0.00 H new ATOM 0 HB VAL A 74 1.081 2.393 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.340 3.148 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.716 1.469 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.798 2.791 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.410 4.777 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.046 4.433 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.567 4.272 1.426 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.782 2.813 2.961 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.972 3.442 3.594 1.00 0.00 C ATOM 1078 C ASN A 75 -3.043 4.903 3.158 1.00 0.00 C ATOM 1079 O ASN A 75 -2.359 5.755 3.688 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.840 3.362 5.119 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.226 3.447 5.762 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.115 4.084 5.233 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.449 2.827 6.888 1.00 0.00 N ATOM 0 H ASN A 75 -0.964 2.734 3.566 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.879 2.921 3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.353 2.429 5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.210 4.174 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.370 2.877 7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.703 2.292 7.332 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.859 5.195 2.188 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.971 6.598 1.703 1.00 0.00 C ATOM 1092 C LEU A 76 -4.623 7.458 2.781 1.00 0.00 C ATOM 1093 O LEU A 76 -5.029 8.577 2.544 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.807 6.612 0.425 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.317 5.484 -0.509 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.492 4.588 -0.907 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.673 6.070 -1.772 1.00 0.00 C ATOM 0 H LEU A 76 -4.456 4.521 1.708 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.983 7.004 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.861 6.472 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.718 7.578 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.573 4.895 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.138 3.795 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.933 4.147 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.243 5.183 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.334 5.259 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.405 6.677 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.822 6.691 -1.492 1.00 0.00 H new ATOM 1109 N THR A 77 -4.705 6.940 3.974 1.00 0.00 N ATOM 1110 CA THR A 77 -5.305 7.714 5.092 1.00 0.00 C ATOM 1111 C THR A 77 -4.186 8.439 5.829 1.00 0.00 C ATOM 1112 O THR A 77 -4.316 9.582 6.221 1.00 0.00 O ATOM 1113 CB THR A 77 -5.995 6.748 6.052 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.998 6.036 5.348 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.616 7.533 7.210 1.00 0.00 C ATOM 0 H THR A 77 -4.379 6.006 4.223 1.00 0.00 H new ATOM 0 HA THR A 77 -6.032 8.431 4.710 1.00 0.00 H new ATOM 0 HB THR A 77 -5.269 6.042 6.457 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.691 5.121 5.178 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.108 6.843 7.895 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.835 8.076 7.742 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.348 8.240 6.819 1.00 0.00 H new ATOM 1123 N THR A 78 -3.087 7.765 6.024 1.00 0.00 N ATOM 1124 CA THR A 78 -1.934 8.384 6.746 1.00 0.00 C ATOM 1125 C THR A 78 -0.715 8.496 5.823 1.00 0.00 C ATOM 1126 O THR A 78 0.231 9.199 6.121 1.00 0.00 O ATOM 1127 CB THR A 78 -1.572 7.519 7.953 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.750 7.218 8.689 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.584 8.270 8.847 1.00 0.00 C ATOM 0 H THR A 78 -2.935 6.806 5.713 1.00 0.00 H new ATOM 0 HA THR A 78 -2.221 9.384 7.072 1.00 0.00 H new ATOM 0 HB THR A 78 -1.112 6.592 7.610 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.663 7.564 9.602 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.328 7.651 9.707 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.319 8.496 8.281 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.039 9.199 9.192 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.729 7.818 4.710 1.00 0.00 N ATOM 1138 CA PHE A 79 0.427 7.892 3.765 1.00 0.00 C ATOM 1139 C PHE A 79 1.575 6.990 4.238 1.00 0.00 C ATOM 1140 O PHE A 79 2.710 7.408 4.341 1.00 0.00 O ATOM 1141 CB PHE A 79 0.916 9.346 3.654 1.00 0.00 C ATOM 1142 CG PHE A 79 1.424 9.607 2.254 1.00 0.00 C ATOM 1143 CD1 PHE A 79 2.753 9.311 1.924 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.566 10.145 1.287 1.00 0.00 C ATOM 1145 CE1 PHE A 79 3.222 9.553 0.627 1.00 0.00 C ATOM 1146 CE2 PHE A 79 1.035 10.387 -0.008 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.364 10.091 -0.338 1.00 0.00 C ATOM 0 H PHE A 79 -1.493 7.212 4.410 1.00 0.00 H new ATOM 0 HA PHE A 79 0.097 7.545 2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.103 10.032 3.890 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.709 9.530 4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.415 8.896 2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.459 10.373 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.246 9.324 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.373 10.802 -0.754 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.726 10.278 -1.338 1.00 0.00 H new ATOM 1157 N ARG A 80 1.285 5.745 4.488 1.00 0.00 N ATOM 1158 CA ARG A 80 2.339 4.780 4.912 1.00 0.00 C ATOM 1159 C ARG A 80 2.006 3.442 4.262 1.00 0.00 C ATOM 1160 O ARG A 80 1.037 3.327 3.539 1.00 0.00 O ATOM 1161 CB ARG A 80 2.376 4.620 6.438 1.00 0.00 C ATOM 1162 CG ARG A 80 1.072 5.122 7.072 1.00 0.00 C ATOM 1163 CD ARG A 80 0.843 4.385 8.395 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.180 5.103 9.209 1.00 0.00 N ATOM 1165 CZ ARG A 80 -0.139 5.052 10.515 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -1.040 5.681 11.219 1.00 0.00 N ATOM 1167 NH2 ARG A 80 0.798 4.370 11.118 1.00 0.00 N ATOM 0 H ARG A 80 0.348 5.348 4.416 1.00 0.00 H new ATOM 0 HA ARG A 80 3.319 5.144 4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.530 3.572 6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.221 5.175 6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.127 6.197 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.234 4.950 6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.514 3.364 8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.779 4.317 8.950 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.915 5.636 8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.775 6.211 10.750 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.010 5.642 12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.501 3.875 10.570 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.826 4.333 12.137 1.00 0.00 H new ATOM 1181 N LEU A 81 2.792 2.431 4.495 1.00 0.00 N ATOM 1182 CA LEU A 81 2.499 1.116 3.862 1.00 0.00 C ATOM 1183 C LEU A 81 2.172 0.073 4.920 1.00 0.00 C ATOM 1184 O LEU A 81 2.170 0.339 6.103 1.00 0.00 O ATOM 1185 CB LEU A 81 3.712 0.657 3.046 1.00 0.00 C ATOM 1186 CG LEU A 81 3.483 0.959 1.575 1.00 0.00 C ATOM 1187 CD1 LEU A 81 3.426 2.473 1.362 1.00 0.00 C ATOM 1188 CD2 LEU A 81 4.622 0.361 0.744 1.00 0.00 C ATOM 0 H LEU A 81 3.619 2.456 5.092 1.00 0.00 H new ATOM 0 HA LEU A 81 1.636 1.230 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.611 1.165 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.874 -0.412 3.187 1.00 0.00 H new ATOM 0 HG LEU A 81 2.538 0.518 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.262 2.686 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.608 2.892 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.367 2.921 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.456 0.579 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.570 0.797 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.652 -0.719 0.891 1.00 0.00 H new ATOM 1200 N TRP A 82 1.900 -1.120 4.481 1.00 0.00 N ATOM 1201 CA TRP A 82 1.572 -2.222 5.421 1.00 0.00 C ATOM 1202 C TRP A 82 1.910 -3.542 4.738 1.00 0.00 C ATOM 1203 O TRP A 82 1.271 -3.941 3.784 1.00 0.00 O ATOM 1204 CB TRP A 82 0.078 -2.177 5.763 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.184 -2.957 7.013 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.465 -2.790 8.190 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -1.160 -4.018 7.233 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -0.048 -3.682 9.114 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -1.051 -4.461 8.572 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -2.117 -4.634 6.406 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.864 -5.477 9.075 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -2.937 -5.657 6.910 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -2.811 -6.078 8.241 1.00 0.00 C ATOM 0 H TRP A 82 1.891 -1.382 3.495 1.00 0.00 H new ATOM 0 HA TRP A 82 2.144 -2.120 6.343 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.242 -1.144 5.895 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.505 -2.588 4.939 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.254 -2.077 8.376 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.275 -3.756 10.079 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.222 -4.319 5.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.762 -5.797 10.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.670 -6.122 6.267 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.445 -6.865 8.621 1.00 0.00 H new ATOM 1224 N CYS A 83 2.923 -4.216 5.201 1.00 0.00 N ATOM 1225 CA CYS A 83 3.317 -5.498 4.566 1.00 0.00 C ATOM 1226 C CYS A 83 2.652 -6.660 5.288 1.00 0.00 C ATOM 1227 O CYS A 83 3.028 -6.997 6.382 1.00 0.00 O ATOM 1228 CB CYS A 83 4.834 -5.658 4.666 1.00 0.00 C ATOM 1229 SG CYS A 83 5.449 -6.495 3.189 1.00 0.00 S ATOM 0 H CYS A 83 3.496 -3.932 5.995 1.00 0.00 H new ATOM 0 HA CYS A 83 3.005 -5.493 3.522 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.308 -4.682 4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.092 -6.232 5.556 1.00 0.00 H new ATOM 0 HG CYS A 83 6.568 -7.096 3.465 1.00 0.00 H new ATOM 1234 N TYR A 84 1.693 -7.303 4.686 1.00 0.00 N ATOM 1235 CA TYR A 84 1.076 -8.466 5.375 1.00 0.00 C ATOM 1236 C TYR A 84 2.128 -9.571 5.407 1.00 0.00 C ATOM 1237 O TYR A 84 1.902 -10.658 5.903 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.171 -8.938 4.616 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.089 -9.682 5.558 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.780 -8.986 6.558 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.251 -11.068 5.431 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.631 -9.676 7.429 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.102 -11.756 6.302 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.792 -11.060 7.302 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.632 -11.740 8.162 1.00 0.00 O ATOM 0 H TYR A 84 1.316 -7.079 3.765 1.00 0.00 H new ATOM 0 HA TYR A 84 0.762 -8.198 6.384 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.692 -8.083 4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.119 -9.585 3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.656 -7.918 6.657 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.718 -11.605 4.660 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.164 -9.139 8.200 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.227 -12.824 6.203 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.630 -12.693 7.936 1.00 0.00 H new ATOM 1255 N ALA A 85 3.299 -9.270 4.905 1.00 0.00 N ATOM 1256 CA ALA A 85 4.409 -10.255 4.919 1.00 0.00 C ATOM 1257 C ALA A 85 5.312 -9.880 6.090 1.00 0.00 C ATOM 1258 O ALA A 85 5.328 -10.541 7.109 1.00 0.00 O ATOM 1259 CB ALA A 85 5.204 -10.191 3.613 1.00 0.00 C ATOM 0 H ALA A 85 3.530 -8.371 4.482 1.00 0.00 H new ATOM 0 HA ALA A 85 4.022 -11.269 5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.013 -10.921 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.545 -10.415 2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.621 -9.192 3.490 1.00 0.00 H new ATOM 1265 N CYS A 86 6.020 -8.780 5.983 1.00 0.00 N ATOM 1266 CA CYS A 86 6.849 -8.343 7.124 1.00 0.00 C ATOM 1267 C CYS A 86 5.865 -8.034 8.242 1.00 0.00 C ATOM 1268 O CYS A 86 6.218 -7.856 9.390 1.00 0.00 O ATOM 1269 CB CYS A 86 7.634 -7.080 6.748 1.00 0.00 C ATOM 1270 SG CYS A 86 8.601 -7.386 5.251 1.00 0.00 S ATOM 0 H CYS A 86 6.053 -8.179 5.159 1.00 0.00 H new ATOM 0 HA CYS A 86 7.573 -9.103 7.418 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.948 -6.249 6.586 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.294 -6.793 7.567 1.00 0.00 H new ATOM 0 HG CYS A 86 8.382 -6.436 4.391 1.00 0.00 H new ATOM 1275 N GLU A 87 4.612 -7.982 7.877 1.00 0.00 N ATOM 1276 CA GLU A 87 3.533 -7.702 8.856 1.00 0.00 C ATOM 1277 C GLU A 87 3.909 -6.474 9.692 1.00 0.00 C ATOM 1278 O GLU A 87 4.060 -6.538 10.895 1.00 0.00 O ATOM 1279 CB GLU A 87 3.340 -8.943 9.728 1.00 0.00 C ATOM 1280 CG GLU A 87 1.918 -9.492 9.556 1.00 0.00 C ATOM 1281 CD GLU A 87 0.926 -8.584 10.286 1.00 0.00 C ATOM 1282 OE1 GLU A 87 1.329 -7.507 10.695 1.00 0.00 O ATOM 1283 OE2 GLU A 87 -0.219 -8.980 10.423 1.00 0.00 O ATOM 0 H GLU A 87 4.289 -8.125 6.920 1.00 0.00 H new ATOM 0 HA GLU A 87 2.593 -7.481 8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.068 -9.706 9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.518 -8.693 10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.664 -9.548 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.858 -10.506 9.952 1.00 0.00 H new ATOM 1290 N LYS A 88 4.051 -5.348 9.045 1.00 0.00 N ATOM 1291 CA LYS A 88 4.406 -4.098 9.772 1.00 0.00 C ATOM 1292 C LYS A 88 4.014 -2.897 8.910 1.00 0.00 C ATOM 1293 O LYS A 88 3.428 -3.047 7.859 1.00 0.00 O ATOM 1294 CB LYS A 88 5.912 -4.066 10.037 1.00 0.00 C ATOM 1295 CG LYS A 88 6.653 -4.558 8.795 1.00 0.00 C ATOM 1296 CD LYS A 88 8.157 -4.329 8.966 1.00 0.00 C ATOM 1297 CE LYS A 88 8.698 -5.234 10.077 1.00 0.00 C ATOM 1298 NZ LYS A 88 8.488 -4.579 11.399 1.00 0.00 N ATOM 0 H LYS A 88 3.935 -5.242 8.037 1.00 0.00 H new ATOM 0 HA LYS A 88 3.875 -4.062 10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.228 -3.053 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.156 -4.695 10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.453 -5.618 8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.293 -4.030 7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.675 -4.538 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.349 -3.284 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.192 -6.199 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.759 -5.427 9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.393 -4.528 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.117 -3.618 11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.808 -5.133 11.957 1.00 0.00 H new ATOM 1312 N GLU A 89 4.336 -1.709 9.346 1.00 0.00 N ATOM 1313 CA GLU A 89 3.987 -0.487 8.557 1.00 0.00 C ATOM 1314 C GLU A 89 5.277 0.136 8.020 1.00 0.00 C ATOM 1315 O GLU A 89 6.258 0.232 8.730 1.00 0.00 O ATOM 1316 CB GLU A 89 3.270 0.510 9.482 1.00 0.00 C ATOM 1317 CG GLU A 89 1.990 1.030 8.818 1.00 0.00 C ATOM 1318 CD GLU A 89 1.036 1.558 9.894 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.162 1.443 9.703 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.523 2.066 10.891 1.00 0.00 O ATOM 0 H GLU A 89 4.829 -1.529 10.221 1.00 0.00 H new ATOM 0 HA GLU A 89 3.333 -0.743 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.026 0.027 10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.933 1.344 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.231 1.823 8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.511 0.231 8.252 1.00 0.00 H new ATOM 1327 N VAL A 90 5.303 0.560 6.776 1.00 0.00 N ATOM 1328 CA VAL A 90 6.565 1.162 6.247 1.00 0.00 C ATOM 1329 C VAL A 90 6.242 2.362 5.351 1.00 0.00 C ATOM 1330 O VAL A 90 5.254 2.391 4.658 1.00 0.00 O ATOM 1331 CB VAL A 90 7.349 0.098 5.452 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.425 -0.525 6.348 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.392 -1.000 4.980 1.00 0.00 C ATOM 0 H VAL A 90 4.523 0.516 6.120 1.00 0.00 H new ATOM 0 HA VAL A 90 7.176 1.508 7.081 1.00 0.00 H new ATOM 0 HB VAL A 90 7.819 0.571 4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.978 -1.277 5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.111 0.252 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.953 -0.994 7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.948 -1.751 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.921 -1.468 5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.625 -0.564 4.341 1.00 0.00 H new ATOM 1343 N PHE A 91 7.083 3.354 5.368 1.00 0.00 N ATOM 1344 CA PHE A 91 6.855 4.562 4.524 1.00 0.00 C ATOM 1345 C PHE A 91 7.771 4.491 3.318 1.00 0.00 C ATOM 1346 O PHE A 91 8.681 3.686 3.267 1.00 0.00 O ATOM 1347 CB PHE A 91 7.230 5.824 5.295 1.00 0.00 C ATOM 1348 CG PHE A 91 6.338 5.986 6.505 1.00 0.00 C ATOM 1349 CD1 PHE A 91 6.445 5.096 7.580 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.408 7.032 6.554 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.623 5.251 8.702 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.585 7.187 7.675 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.693 6.296 8.750 1.00 0.00 C ATOM 0 H PHE A 91 7.929 3.382 5.936 1.00 0.00 H new ATOM 0 HA PHE A 91 5.804 4.593 4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.273 5.770 5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.136 6.695 4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.162 4.289 7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.326 7.720 5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.706 4.564 9.531 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.867 7.993 7.711 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.059 6.415 9.616 1.00 0.00 H new