USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 844 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 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 117 THR OG1 : rot 50:sc= 0.356 USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc=-0.00593 USER MOD Set 2.2: A 55 GLN : amide:sc= 1 K(o=2.2,f=0.59) USER MOD Set 2.3: A 96 TYR OH : rot 179:sc= 1.25 USER MOD Set 3.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 16 ASN : amide:sc= -1.68 K(o=-2,f=-11!) USER MOD Set 4.2: A 94 TYR OH : rot 70:sc= -0.358 USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= -0.255 (180deg=-0.745) USER MOD Single : A 31 SER OG : rot 38:sc= -0.19 USER MOD Single : A 32 SER OG : rot -37:sc= 0.316 USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.0844 (180deg=-0.53) USER MOD Single : A 38 GLN : amide:sc= -5.06! C(o=-5.1!,f=-8.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -3.05 F(o=-3.8,f=-3) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.16 F(o=-0.7,f=-0.16) USER MOD Single : A 47 SER OG : rot 180:sc= -0.205 USER MOD Single : A 50 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.026) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -23:sc= 0.0165 USER MOD Single : A 80 MET CE :methyl -118:sc= -2.77 (180deg=-3.55) USER MOD Single : A 87 MET CE :methyl -164:sc= -0.84 (180deg=-0.932) USER MOD Single : A 89 THR OG1 : rot 59:sc= 0.0544 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.227 USER MOD Single : A 99 GLN : amide:sc= -0.0765 K(o=-0.077,f=-2!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.255 F(o=-1,f=-0.26) USER MOD Single : A 113 CYS SG : rot 70:sc= 0.0117 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.911 -10.910 3.132 1.00 0.00 N ATOM 121 CA LEU A 11 -7.721 -10.739 1.931 1.00 0.00 C ATOM 122 C LEU A 11 -6.858 -10.825 0.676 1.00 0.00 C ATOM 123 O LEU A 11 -5.899 -10.071 0.516 1.00 0.00 O ATOM 124 CB LEU A 11 -8.450 -9.394 1.971 1.00 0.00 C ATOM 125 CG LEU A 11 -9.185 -8.991 0.692 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.402 -8.142 1.021 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.250 -8.244 -0.248 1.00 0.00 C ATOM 0 HA LEU A 11 -8.456 -11.543 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.171 -9.418 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.724 -8.617 2.209 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.524 -9.897 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.912 -7.865 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.082 -8.711 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.086 -7.240 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.790 -7.965 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.880 -7.345 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.409 -8.886 -0.511 1.00 0.00 H new ATOM 139 N ASP A 12 -7.208 -11.749 -0.213 1.00 0.00 N ATOM 140 CA ASP A 12 -6.468 -11.932 -1.456 1.00 0.00 C ATOM 141 C ASP A 12 -7.167 -11.226 -2.614 1.00 0.00 C ATOM 142 O ASP A 12 -8.184 -11.700 -3.120 1.00 0.00 O ATOM 143 CB ASP A 12 -6.315 -13.421 -1.769 1.00 0.00 C ATOM 144 CG ASP A 12 -7.570 -14.211 -1.451 1.00 0.00 C ATOM 145 OD1 ASP A 12 -8.677 -13.660 -1.624 1.00 0.00 O ATOM 146 OD2 ASP A 12 -7.444 -15.380 -1.029 1.00 0.00 O ATOM 0 H ASP A 12 -7.999 -12.382 -0.096 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.479 -11.492 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.069 -13.544 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.480 -13.826 -1.197 1.00 0.00 H new ATOM 151 N ILE A 13 -6.614 -10.090 -3.027 1.00 0.00 N ATOM 152 CA ILE A 13 -7.184 -9.319 -4.125 1.00 0.00 C ATOM 153 C ILE A 13 -7.221 -10.137 -5.411 1.00 0.00 C ATOM 154 O ILE A 13 -8.229 -10.157 -6.119 1.00 0.00 O ATOM 155 CB ILE A 13 -6.389 -8.024 -4.376 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.546 -7.066 -3.194 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.849 -7.362 -5.666 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.477 -7.230 -2.137 1.00 0.00 C ATOM 0 H ILE A 13 -5.773 -9.684 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.202 -9.060 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.334 -8.277 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.526 -6.041 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.524 -7.222 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.278 -6.448 -5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.690 -8.044 -6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.909 -7.119 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.652 -6.519 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.510 -8.245 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.498 -7.045 -2.578 1.00 0.00 H new ATOM 170 N LEU A 14 -6.117 -10.813 -5.707 1.00 0.00 N ATOM 171 CA LEU A 14 -6.022 -11.636 -6.908 1.00 0.00 C ATOM 172 C LEU A 14 -6.534 -13.048 -6.642 1.00 0.00 C ATOM 173 O LEU A 14 -7.026 -13.722 -7.547 1.00 0.00 O ATOM 174 CB LEU A 14 -4.575 -11.691 -7.400 1.00 0.00 C ATOM 175 CG LEU A 14 -3.946 -10.352 -7.786 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.428 -10.447 -7.761 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.431 -9.911 -9.160 1.00 0.00 C ATOM 0 H LEU A 14 -5.275 -10.808 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.644 -11.182 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.964 -12.145 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.531 -12.353 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.255 -9.604 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.999 -9.484 -8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.097 -10.717 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.099 -11.208 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.973 -8.956 -9.418 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.152 -10.660 -9.902 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.515 -9.801 -9.145 1.00 0.00 H new ATOM 189 N GLY A 15 -6.418 -13.489 -5.393 1.00 0.00 N ATOM 190 CA GLY A 15 -6.876 -14.817 -5.030 1.00 0.00 C ATOM 191 C GLY A 15 -5.790 -15.865 -5.175 1.00 0.00 C ATOM 192 O GLY A 15 -5.885 -16.951 -4.605 1.00 0.00 O ATOM 0 H GLY A 15 -6.015 -12.950 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.231 -14.806 -3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.725 -15.089 -5.657 1.00 0.00 H new ATOM 196 N ASN A 16 -4.754 -15.539 -5.942 1.00 0.00 N ATOM 197 CA ASN A 16 -3.646 -16.461 -6.162 1.00 0.00 C ATOM 198 C ASN A 16 -2.972 -16.826 -4.842 1.00 0.00 C ATOM 199 O ASN A 16 -2.736 -18.000 -4.558 1.00 0.00 O ATOM 200 CB ASN A 16 -2.622 -15.843 -7.116 1.00 0.00 C ATOM 201 CG ASN A 16 -2.275 -14.414 -6.744 1.00 0.00 C ATOM 202 OD1 ASN A 16 -2.824 -13.857 -5.794 1.00 0.00 O ATOM 203 ND2 ASN A 16 -1.359 -13.814 -7.495 1.00 0.00 N ATOM 0 H ASN A 16 -4.659 -14.644 -6.421 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.047 -17.371 -6.609 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.715 -16.447 -7.112 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.016 -15.866 -8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.085 -12.852 -7.294 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.930 -14.315 -8.273 1.00 0.00 H new ATOM 210 N GLY A 17 -2.665 -15.811 -4.040 1.00 0.00 N ATOM 211 CA GLY A 17 -2.022 -16.046 -2.760 1.00 0.00 C ATOM 212 C GLY A 17 -0.813 -15.157 -2.547 1.00 0.00 C ATOM 213 O GLY A 17 -0.264 -15.096 -1.446 1.00 0.00 O ATOM 0 H GLY A 17 -2.850 -14.831 -4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.741 -15.875 -1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.717 -17.090 -2.696 1.00 0.00 H new ATOM 217 N LEU A 18 -0.396 -14.465 -3.602 1.00 0.00 N ATOM 218 CA LEU A 18 0.757 -13.575 -3.526 1.00 0.00 C ATOM 219 C LEU A 18 0.376 -12.243 -2.890 1.00 0.00 C ATOM 220 O LEU A 18 0.844 -11.906 -1.801 1.00 0.00 O ATOM 221 CB LEU A 18 1.337 -13.339 -4.922 1.00 0.00 C ATOM 222 CG LEU A 18 2.304 -14.406 -5.436 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.345 -14.737 -4.379 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.545 -15.659 -5.851 1.00 0.00 C ATOM 0 H LEU A 18 -0.839 -14.503 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 18 1.512 -14.052 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.510 -13.256 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.853 -12.379 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 18 2.819 -14.010 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.024 -15.498 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.910 -13.838 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.848 -15.112 -3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.249 -16.407 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.003 -16.057 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.839 -15.411 -6.643 1.00 0.00 H new ATOM 236 N LEU A 19 -0.478 -11.489 -3.574 1.00 0.00 N ATOM 237 CA LEU A 19 -0.925 -10.194 -3.074 1.00 0.00 C ATOM 238 C LEU A 19 -2.084 -10.358 -2.095 1.00 0.00 C ATOM 239 O LEU A 19 -3.106 -10.959 -2.424 1.00 0.00 O ATOM 240 CB LEU A 19 -1.349 -9.295 -4.237 1.00 0.00 C ATOM 241 CG LEU A 19 -2.102 -8.019 -3.860 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.190 -7.064 -3.106 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.670 -7.348 -5.102 1.00 0.00 C ATOM 0 H LEU A 19 -0.874 -11.752 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.092 -9.729 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.457 -9.014 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.977 -9.878 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.931 -8.289 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.743 -6.162 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.832 -7.545 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.340 -6.800 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.203 -6.442 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.857 -7.091 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.358 -8.030 -5.602 1.00 0.00 H new ATOM 255 N ARG A 20 -1.916 -9.817 -0.893 1.00 0.00 N ATOM 256 CA ARG A 20 -2.948 -9.903 0.134 1.00 0.00 C ATOM 257 C ARG A 20 -3.110 -8.568 0.854 1.00 0.00 C ATOM 258 O ARG A 20 -2.279 -7.670 0.715 1.00 0.00 O ATOM 259 CB ARG A 20 -2.604 -11.001 1.143 1.00 0.00 C ATOM 260 CG ARG A 20 -2.639 -12.401 0.554 1.00 0.00 C ATOM 261 CD ARG A 20 -1.678 -13.333 1.276 1.00 0.00 C ATOM 262 NE ARG A 20 -2.031 -13.499 2.684 1.00 0.00 N ATOM 263 CZ ARG A 20 -1.503 -14.431 3.469 1.00 0.00 C ATOM 264 NH1 ARG A 20 -0.604 -15.277 2.986 1.00 0.00 N ATOM 265 NH2 ARG A 20 -1.875 -14.519 4.739 1.00 0.00 N ATOM 0 H ARG A 20 -1.076 -9.315 -0.606 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.891 -10.150 -0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.610 -10.811 1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.304 -10.949 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.652 -12.799 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.381 -12.358 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.679 -14.306 0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.665 -12.939 1.200 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.721 -12.864 3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.316 -15.213 2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.200 -15.992 3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.567 -13.870 5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.469 -15.235 5.341 1.00 0.00 H new ATOM 279 N LYS A 21 -4.186 -8.444 1.624 1.00 0.00 N ATOM 280 CA LYS A 21 -4.458 -7.219 2.368 1.00 0.00 C ATOM 281 C LYS A 21 -4.972 -7.536 3.769 1.00 0.00 C ATOM 282 O LYS A 21 -5.757 -8.466 3.958 1.00 0.00 O ATOM 283 CB LYS A 21 -5.481 -6.361 1.620 1.00 0.00 C ATOM 284 CG LYS A 21 -5.590 -4.943 2.152 1.00 0.00 C ATOM 285 CD LYS A 21 -6.669 -4.156 1.427 1.00 0.00 C ATOM 286 CE LYS A 21 -8.052 -4.470 1.975 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.366 -3.661 3.185 1.00 0.00 N ATOM 0 H LYS A 21 -4.884 -9.177 1.749 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.524 -6.664 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.210 -6.324 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.458 -6.839 1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.813 -4.970 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.631 -4.437 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.471 -3.089 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.637 -4.388 0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.800 -4.278 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.113 -5.530 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.317 -3.904 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.668 -3.863 3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.333 -2.650 2.945 1.00 0.00 H new ATOM 301 N LYS A 22 -4.525 -6.757 4.748 1.00 0.00 N ATOM 302 CA LYS A 22 -4.941 -6.952 6.132 1.00 0.00 C ATOM 303 C LYS A 22 -5.239 -5.616 6.804 1.00 0.00 C ATOM 304 O LYS A 22 -4.346 -4.788 6.988 1.00 0.00 O ATOM 305 CB LYS A 22 -3.856 -7.697 6.912 1.00 0.00 C ATOM 306 CG LYS A 22 -4.222 -7.961 8.362 1.00 0.00 C ATOM 307 CD LYS A 22 -3.002 -8.335 9.186 1.00 0.00 C ATOM 308 CE LYS A 22 -1.988 -7.202 9.226 1.00 0.00 C ATOM 309 NZ LYS A 22 -1.059 -7.328 10.384 1.00 0.00 N ATOM 0 H LYS A 22 -3.874 -5.984 4.609 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.853 -7.549 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.653 -8.647 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.934 -7.117 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.691 -7.074 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.956 -8.765 8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.310 -8.585 10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.537 -9.226 8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.414 -7.196 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.512 -6.248 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.180 -6.809 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.508 -6.931 11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.839 -8.332 10.545 1.00 0.00 H new ATOM 323 N THR A 23 -6.501 -5.411 7.170 1.00 0.00 N ATOM 324 CA THR A 23 -6.916 -4.176 7.822 1.00 0.00 C ATOM 325 C THR A 23 -6.308 -4.057 9.215 1.00 0.00 C ATOM 326 O THR A 23 -6.771 -4.693 10.162 1.00 0.00 O ATOM 327 CB THR A 23 -8.450 -4.089 7.935 1.00 0.00 C ATOM 328 OG1 THR A 23 -9.035 -4.027 6.630 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.865 -2.866 8.740 1.00 0.00 C ATOM 0 H THR A 23 -7.253 -6.085 7.026 1.00 0.00 H new ATOM 0 HA THR A 23 -6.557 -3.355 7.201 1.00 0.00 H new ATOM 0 HB THR A 23 -8.805 -4.982 8.450 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.010 -3.974 6.711 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.952 -2.826 8.806 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.442 -2.930 9.743 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.498 -1.965 8.248 1.00 0.00 H new ATOM 337 N LEU A 24 -5.268 -3.240 9.333 1.00 0.00 N ATOM 338 CA LEU A 24 -4.595 -3.037 10.612 1.00 0.00 C ATOM 339 C LEU A 24 -5.472 -2.234 11.567 1.00 0.00 C ATOM 340 O LEU A 24 -5.511 -2.505 12.767 1.00 0.00 O ATOM 341 CB LEU A 24 -3.261 -2.319 10.400 1.00 0.00 C ATOM 342 CG LEU A 24 -2.199 -3.093 9.617 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.069 -2.167 9.193 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.661 -4.249 10.447 1.00 0.00 C ATOM 0 H LEU A 24 -4.872 -2.707 8.559 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.408 -4.015 11.056 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.455 -1.381 9.880 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.850 -2.064 11.376 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.663 -3.502 8.719 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.323 -2.735 8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.467 -1.374 8.560 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.607 -1.728 10.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.907 -4.788 9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.213 -3.862 11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.477 -4.926 10.700 1.00 0.00 H new ATOM 356 N VAL A 25 -6.176 -1.245 11.025 1.00 0.00 N ATOM 357 CA VAL A 25 -7.056 -0.404 11.829 1.00 0.00 C ATOM 358 C VAL A 25 -8.254 0.072 11.016 1.00 0.00 C ATOM 359 O VAL A 25 -8.119 0.800 10.032 1.00 0.00 O ATOM 360 CB VAL A 25 -6.307 0.822 12.384 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.265 1.743 13.124 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.167 0.383 13.292 1.00 0.00 C ATOM 0 H VAL A 25 -6.154 -1.007 10.034 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.405 -1.015 12.661 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.882 1.376 11.547 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.718 2.604 13.509 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.043 2.084 12.441 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.722 1.203 13.953 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.648 1.262 13.675 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.567 -0.195 14.125 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.468 -0.233 12.726 1.00 0.00 H new ATOM 372 N PRO A 26 -9.457 -0.348 11.434 1.00 0.00 N ATOM 373 CA PRO A 26 -10.704 0.024 10.759 1.00 0.00 C ATOM 374 C PRO A 26 -11.046 1.498 10.944 1.00 0.00 C ATOM 375 O PRO A 26 -10.615 2.129 11.909 1.00 0.00 O ATOM 376 CB PRO A 26 -11.754 -0.858 11.441 1.00 0.00 C ATOM 377 CG PRO A 26 -11.184 -1.153 12.786 1.00 0.00 C ATOM 378 CD PRO A 26 -9.693 -1.218 12.598 1.00 0.00 C ATOM 0 HA PRO A 26 -10.642 -0.120 9.680 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.712 -0.344 11.521 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.930 -1.773 10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.454 -0.377 13.503 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.570 -2.095 13.175 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.161 -0.862 13.480 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.356 -2.238 12.412 1.00 0.00 H new ATOM 386 N GLY A 27 -11.824 2.043 10.013 1.00 0.00 N ATOM 387 CA GLY A 27 -12.210 3.439 10.092 1.00 0.00 C ATOM 388 C GLY A 27 -13.631 3.620 10.590 1.00 0.00 C ATOM 389 O GLY A 27 -14.310 2.661 10.955 1.00 0.00 O ATOM 0 H GLY A 27 -12.194 1.542 9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.525 3.965 10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.112 3.896 9.107 1.00 0.00 H new ATOM 393 N PRO A 28 -14.099 4.877 10.611 1.00 0.00 N ATOM 394 CA PRO A 28 -15.451 5.210 11.067 1.00 0.00 C ATOM 395 C PRO A 28 -16.526 4.722 10.101 1.00 0.00 C ATOM 396 O PRO A 28 -16.249 4.364 8.956 1.00 0.00 O ATOM 397 CB PRO A 28 -15.439 6.740 11.125 1.00 0.00 C ATOM 398 CG PRO A 28 -14.391 7.148 10.148 1.00 0.00 C ATOM 399 CD PRO A 28 -13.344 6.069 10.191 1.00 0.00 C ATOM 0 HA PRO A 28 -15.688 4.735 12.019 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.411 7.154 10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.205 7.096 12.128 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.809 7.247 9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.965 8.116 10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.875 5.925 9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.548 6.309 10.896 1.00 0.00 H new ATOM 407 N PRO A 29 -17.782 4.708 10.570 1.00 0.00 N ATOM 408 CA PRO A 29 -18.923 4.266 9.763 1.00 0.00 C ATOM 409 C PRO A 29 -19.251 5.243 8.639 1.00 0.00 C ATOM 410 O PRO A 29 -19.897 4.881 7.657 1.00 0.00 O ATOM 411 CB PRO A 29 -20.072 4.210 10.774 1.00 0.00 C ATOM 412 CG PRO A 29 -19.686 5.176 11.840 1.00 0.00 C ATOM 413 CD PRO A 29 -18.185 5.121 11.925 1.00 0.00 C ATOM 0 HA PRO A 29 -18.727 3.316 9.266 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.019 4.488 10.312 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.196 3.205 11.177 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.026 6.182 11.597 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.141 4.907 12.793 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -17.762 6.089 12.193 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.851 4.408 12.679 1.00 0.00 H new ATOM 421 N GLY A 30 -18.799 6.485 8.790 1.00 0.00 N ATOM 422 CA GLY A 30 -19.054 7.495 7.779 1.00 0.00 C ATOM 423 C GLY A 30 -18.167 7.331 6.560 1.00 0.00 C ATOM 424 O GLY A 30 -18.637 7.420 5.426 1.00 0.00 O ATOM 0 H GLY A 30 -18.261 6.809 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.099 7.444 7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.896 8.484 8.209 1.00 0.00 H new ATOM 428 N SER A 31 -16.881 7.094 6.794 1.00 0.00 N ATOM 429 CA SER A 31 -15.925 6.923 5.706 1.00 0.00 C ATOM 430 C SER A 31 -16.479 5.985 4.638 1.00 0.00 C ATOM 431 O SER A 31 -17.468 5.287 4.862 1.00 0.00 O ATOM 432 CB SER A 31 -14.600 6.378 6.243 1.00 0.00 C ATOM 433 OG SER A 31 -14.807 5.587 7.401 1.00 0.00 O ATOM 0 H SER A 31 -16.476 7.016 7.727 1.00 0.00 H new ATOM 0 HA SER A 31 -15.751 7.899 5.252 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.110 5.781 5.474 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.931 7.206 6.479 1.00 0.00 H new ATOM 0 HG SER A 31 -15.633 5.070 7.301 1.00 0.00 H new ATOM 439 N SER A 32 -15.833 5.974 3.476 1.00 0.00 N ATOM 440 CA SER A 32 -16.262 5.125 2.371 1.00 0.00 C ATOM 441 C SER A 32 -15.177 5.034 1.303 1.00 0.00 C ATOM 442 O SER A 32 -14.607 6.046 0.894 1.00 0.00 O ATOM 443 CB SER A 32 -17.555 5.665 1.757 1.00 0.00 C ATOM 444 OG SER A 32 -18.483 6.034 2.763 1.00 0.00 O ATOM 0 H SER A 32 -15.011 6.543 3.276 1.00 0.00 H new ATOM 0 HA SER A 32 -16.445 4.125 2.764 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.331 6.528 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.998 4.908 1.110 1.00 0.00 H new ATOM 0 HG SER A 32 -18.425 5.401 3.509 1.00 0.00 H new ATOM 450 N ARG A 33 -14.897 3.814 0.855 1.00 0.00 N ATOM 451 CA ARG A 33 -13.879 3.590 -0.165 1.00 0.00 C ATOM 452 C ARG A 33 -13.919 4.688 -1.223 1.00 0.00 C ATOM 453 O ARG A 33 -14.983 5.143 -1.642 1.00 0.00 O ATOM 454 CB ARG A 33 -14.081 2.224 -0.824 1.00 0.00 C ATOM 455 CG ARG A 33 -13.842 1.053 0.115 1.00 0.00 C ATOM 456 CD ARG A 33 -13.729 -0.258 -0.647 1.00 0.00 C ATOM 457 NE ARG A 33 -14.191 -1.394 0.145 1.00 0.00 N ATOM 458 CZ ARG A 33 -14.424 -2.599 -0.363 1.00 0.00 C ATOM 459 NH1 ARG A 33 -14.238 -2.823 -1.657 1.00 0.00 N ATOM 460 NH2 ARG A 33 -14.844 -3.582 0.422 1.00 0.00 N ATOM 0 H ARG A 33 -15.360 2.966 1.182 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.903 3.612 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.097 2.165 -1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.407 2.138 -1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.929 1.223 0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.659 0.988 0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.313 -0.195 -1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.691 -0.419 -0.940 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.343 -1.255 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.915 -2.069 -2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.417 -3.749 -2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.989 -3.413 1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.022 -4.507 0.030 1.00 0.00 H new ATOM 474 N PRO A 34 -12.731 5.127 -1.665 1.00 0.00 N ATOM 475 CA PRO A 34 -12.602 6.178 -2.679 1.00 0.00 C ATOM 476 C PRO A 34 -13.053 5.710 -4.059 1.00 0.00 C ATOM 477 O PRO A 34 -13.641 4.637 -4.200 1.00 0.00 O ATOM 478 CB PRO A 34 -11.103 6.486 -2.683 1.00 0.00 C ATOM 479 CG PRO A 34 -10.458 5.236 -2.193 1.00 0.00 C ATOM 480 CD PRO A 34 -11.421 4.631 -1.209 1.00 0.00 C ATOM 0 HA PRO A 34 -13.228 7.041 -2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.755 6.745 -3.683 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.871 7.331 -2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.260 4.550 -3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.500 5.451 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.377 3.542 -1.221 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.205 4.947 -0.189 1.00 0.00 H new ATOM 488 N VAL A 35 -12.774 6.521 -5.074 1.00 0.00 N ATOM 489 CA VAL A 35 -13.150 6.189 -6.443 1.00 0.00 C ATOM 490 C VAL A 35 -11.918 6.025 -7.327 1.00 0.00 C ATOM 491 O VAL A 35 -10.863 6.596 -7.052 1.00 0.00 O ATOM 492 CB VAL A 35 -14.065 7.268 -7.052 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.500 8.656 -6.790 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.249 7.031 -8.543 1.00 0.00 C ATOM 0 H VAL A 35 -12.289 7.413 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.693 5.245 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.043 7.203 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.159 9.406 -7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.425 8.821 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.510 8.737 -7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.898 7.803 -8.957 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.279 7.068 -9.040 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.701 6.052 -8.703 1.00 0.00 H new ATOM 504 N LYS A 36 -12.060 5.240 -8.390 1.00 0.00 N ATOM 505 CA LYS A 36 -10.960 5.001 -9.316 1.00 0.00 C ATOM 506 C LYS A 36 -10.858 6.126 -10.341 1.00 0.00 C ATOM 507 O LYS A 36 -11.749 6.307 -11.169 1.00 0.00 O ATOM 508 CB LYS A 36 -11.150 3.661 -10.031 1.00 0.00 C ATOM 509 CG LYS A 36 -10.197 3.451 -11.194 1.00 0.00 C ATOM 510 CD LYS A 36 -10.278 2.033 -11.734 1.00 0.00 C ATOM 511 CE LYS A 36 -9.862 1.968 -13.195 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.814 2.701 -14.076 1.00 0.00 N ATOM 0 H LYS A 36 -12.926 4.759 -8.631 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.034 4.971 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.016 2.853 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.175 3.596 -10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.432 4.158 -11.990 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.177 3.661 -10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.636 1.380 -11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.297 1.660 -11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.864 2.391 -13.308 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.804 0.926 -13.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.781 2.298 -15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.778 2.612 -13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.549 3.706 -14.114 1.00 0.00 H new ATOM 526 N GLY A 37 -9.763 6.878 -10.281 1.00 0.00 N ATOM 527 CA GLY A 37 -9.564 7.974 -11.210 1.00 0.00 C ATOM 528 C GLY A 37 -9.376 9.304 -10.507 1.00 0.00 C ATOM 529 O GLY A 37 -9.341 10.353 -11.149 1.00 0.00 O ATOM 0 H GLY A 37 -9.010 6.747 -9.605 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.691 7.767 -11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.422 8.039 -11.880 1.00 0.00 H new ATOM 533 N GLN A 38 -9.257 9.260 -9.184 1.00 0.00 N ATOM 534 CA GLN A 38 -9.075 10.471 -8.393 1.00 0.00 C ATOM 535 C GLN A 38 -7.724 10.461 -7.685 1.00 0.00 C ATOM 536 O GLN A 38 -7.042 9.437 -7.641 1.00 0.00 O ATOM 537 CB GLN A 38 -10.200 10.610 -7.367 1.00 0.00 C ATOM 538 CG GLN A 38 -11.549 10.942 -7.984 1.00 0.00 C ATOM 539 CD GLN A 38 -12.430 11.757 -7.059 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.574 11.390 -6.789 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.901 12.871 -6.566 1.00 0.00 N ATOM 0 H GLN A 38 -9.283 8.399 -8.638 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.104 11.324 -9.071 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.286 9.679 -6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.935 11.390 -6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.394 11.494 -8.911 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.062 10.017 -8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.949 13.138 -6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.447 13.460 -5.937 1.00 0.00 H new ATOM 550 N VAL A 39 -7.342 11.608 -7.133 1.00 0.00 N ATOM 551 CA VAL A 39 -6.072 11.731 -6.427 1.00 0.00 C ATOM 552 C VAL A 39 -6.177 11.181 -5.009 1.00 0.00 C ATOM 553 O VAL A 39 -6.827 11.774 -4.148 1.00 0.00 O ATOM 554 CB VAL A 39 -5.605 13.198 -6.364 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.523 13.369 -5.308 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.108 13.657 -7.726 1.00 0.00 C ATOM 0 H VAL A 39 -7.894 12.465 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.340 11.148 -6.987 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.455 13.820 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.205 14.411 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.917 13.081 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.670 12.737 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.782 14.695 -7.663 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.271 13.032 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.914 13.573 -8.455 1.00 0.00 H new ATOM 566 N VAL A 40 -5.531 10.044 -4.772 1.00 0.00 N ATOM 567 CA VAL A 40 -5.550 9.414 -3.457 1.00 0.00 C ATOM 568 C VAL A 40 -4.213 9.588 -2.745 1.00 0.00 C ATOM 569 O VAL A 40 -3.160 9.247 -3.285 1.00 0.00 O ATOM 570 CB VAL A 40 -5.872 7.911 -3.560 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.372 7.678 -3.456 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.324 7.336 -4.857 1.00 0.00 C ATOM 0 H VAL A 40 -4.988 9.540 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.332 9.908 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.390 7.396 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.580 6.611 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.733 8.052 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.879 8.204 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.561 6.273 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.775 7.853 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.242 7.469 -4.886 1.00 0.00 H new ATOM 582 N THR A 41 -4.263 10.121 -1.528 1.00 0.00 N ATOM 583 CA THR A 41 -3.056 10.342 -0.741 1.00 0.00 C ATOM 584 C THR A 41 -2.971 9.361 0.422 1.00 0.00 C ATOM 585 O THR A 41 -3.813 9.373 1.320 1.00 0.00 O ATOM 586 CB THR A 41 -2.999 11.779 -0.191 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.351 12.712 -1.219 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.610 12.102 0.339 1.00 0.00 C ATOM 0 H THR A 41 -5.126 10.407 -1.066 1.00 0.00 H new ATOM 0 HA THR A 41 -2.210 10.183 -1.409 1.00 0.00 H new ATOM 0 HB THR A 41 -3.711 11.858 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.314 13.623 -0.860 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.595 13.122 0.722 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.357 11.409 1.142 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.882 12.006 -0.466 1.00 0.00 H new ATOM 596 N VAL A 42 -1.949 8.511 0.401 1.00 0.00 N ATOM 597 CA VAL A 42 -1.753 7.524 1.456 1.00 0.00 C ATOM 598 C VAL A 42 -0.295 7.474 1.898 1.00 0.00 C ATOM 599 O VAL A 42 0.552 8.189 1.362 1.00 0.00 O ATOM 600 CB VAL A 42 -2.188 6.119 0.998 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.472 6.196 0.186 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.079 5.455 0.195 1.00 0.00 C ATOM 0 H VAL A 42 -1.244 8.486 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.374 7.832 2.297 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.381 5.511 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.764 5.194 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.264 6.629 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.310 6.820 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.402 4.463 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.853 6.060 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.186 5.365 0.813 1.00 0.00 H new ATOM 612 N HIS A 43 -0.009 6.624 2.880 1.00 0.00 N ATOM 613 CA HIS A 43 1.348 6.480 3.394 1.00 0.00 C ATOM 614 C HIS A 43 1.872 5.066 3.157 1.00 0.00 C ATOM 615 O HIS A 43 1.531 4.136 3.888 1.00 0.00 O ATOM 616 CB HIS A 43 1.388 6.807 4.887 1.00 0.00 C ATOM 617 CG HIS A 43 2.775 6.893 5.445 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.913 6.250 5.092 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 3.114 7.717 6.497 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.908 6.694 5.927 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.400 7.579 6.766 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.698 6.025 3.335 1.00 0.00 H new ATOM 0 HA HIS A 43 1.989 7.181 2.859 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.878 7.755 5.057 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.833 6.044 5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.434 8.373 7.020 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.939 6.372 5.902 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.913 8.072 7.497 1.00 0.00 H new ATOM 630 N LEU A 44 2.700 4.912 2.130 1.00 0.00 N ATOM 631 CA LEU A 44 3.270 3.612 1.795 1.00 0.00 C ATOM 632 C LEU A 44 4.711 3.507 2.285 1.00 0.00 C ATOM 633 O LEU A 44 5.519 4.408 2.062 1.00 0.00 O ATOM 634 CB LEU A 44 3.215 3.383 0.284 1.00 0.00 C ATOM 635 CG LEU A 44 4.363 2.568 -0.314 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.647 3.382 -0.323 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.557 1.272 0.461 1.00 0.00 C ATOM 0 H LEU A 44 2.992 5.671 1.515 1.00 0.00 H new ATOM 0 HA LEU A 44 2.679 2.844 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.277 2.881 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.190 4.354 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 44 4.108 2.318 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.453 2.786 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.503 4.282 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.907 3.663 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.378 0.705 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.790 1.501 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.642 0.681 0.416 1.00 0.00 H new ATOM 649 N GLN A 45 5.025 2.400 2.950 1.00 0.00 N ATOM 650 CA GLN A 45 6.369 2.177 3.470 1.00 0.00 C ATOM 651 C GLN A 45 6.860 0.774 3.125 1.00 0.00 C ATOM 652 O GLN A 45 6.294 -0.222 3.577 1.00 0.00 O ATOM 653 CB GLN A 45 6.393 2.380 4.986 1.00 0.00 C ATOM 654 CG GLN A 45 6.251 3.834 5.407 1.00 0.00 C ATOM 655 CD GLN A 45 6.780 4.091 6.804 1.00 0.00 C ATOM 656 OE1 GLN A 45 8.101 4.119 6.940 1.00 0.00 O flip ATOM 657 NE2 GLN A 45 6.012 4.264 7.750 1.00 0.00 N flip ATOM 0 H GLN A 45 4.368 1.644 3.141 1.00 0.00 H new ATOM 0 HA GLN A 45 7.037 2.901 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.587 1.800 5.435 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.328 1.985 5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.785 4.467 4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.200 4.120 5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.004 4.234 7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.384 4.437 8.684 1.00 0.00 H new ATOM 666 N THR A 46 7.917 0.704 2.322 1.00 0.00 N ATOM 667 CA THR A 46 8.483 -0.576 1.915 1.00 0.00 C ATOM 668 C THR A 46 9.513 -1.068 2.926 1.00 0.00 C ATOM 669 O THR A 46 10.354 -0.299 3.394 1.00 0.00 O ATOM 670 CB THR A 46 9.146 -0.482 0.528 1.00 0.00 C ATOM 671 OG1 THR A 46 8.242 0.115 -0.408 1.00 0.00 O ATOM 672 CG2 THR A 46 9.562 -1.859 0.032 1.00 0.00 C ATOM 0 H THR A 46 8.398 1.519 1.941 1.00 0.00 H new ATOM 0 HA THR A 46 7.657 -1.286 1.867 1.00 0.00 H new ATOM 0 HB THR A 46 10.037 0.139 0.618 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.672 0.173 -1.287 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.028 -1.767 -0.949 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.273 -2.298 0.732 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.683 -2.500 -0.042 1.00 0.00 H new ATOM 680 N SER A 47 9.443 -2.353 3.259 1.00 0.00 N ATOM 681 CA SER A 47 10.368 -2.946 4.217 1.00 0.00 C ATOM 682 C SER A 47 10.581 -4.427 3.921 1.00 0.00 C ATOM 683 O SER A 47 9.623 -5.192 3.796 1.00 0.00 O ATOM 684 CB SER A 47 9.842 -2.770 5.642 1.00 0.00 C ATOM 685 OG SER A 47 9.128 -1.553 5.776 1.00 0.00 O ATOM 0 H SER A 47 8.755 -3.003 2.879 1.00 0.00 H new ATOM 0 HA SER A 47 11.326 -2.433 4.125 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.192 -3.607 5.899 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.675 -2.786 6.345 1.00 0.00 H new ATOM 0 HG SER A 47 8.801 -1.465 6.696 1.00 0.00 H new ATOM 691 N LEU A 48 11.843 -4.826 3.809 1.00 0.00 N ATOM 692 CA LEU A 48 12.184 -6.216 3.527 1.00 0.00 C ATOM 693 C LEU A 48 11.470 -7.158 4.491 1.00 0.00 C ATOM 694 O LEU A 48 11.169 -6.789 5.625 1.00 0.00 O ATOM 695 CB LEU A 48 13.697 -6.421 3.624 1.00 0.00 C ATOM 696 CG LEU A 48 14.490 -6.182 2.339 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.267 -7.321 1.355 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.104 -4.850 1.713 1.00 0.00 C ATOM 0 H LEU A 48 12.647 -4.207 3.909 1.00 0.00 H new ATOM 0 HA LEU A 48 11.856 -6.446 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.085 -5.756 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.885 -7.441 3.959 1.00 0.00 H new ATOM 0 HG LEU A 48 15.550 -6.148 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.839 -7.134 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.595 -8.259 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.207 -7.387 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.679 -4.697 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.040 -4.854 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.316 -4.043 2.414 1.00 0.00 H new ATOM 710 N GLU A 49 11.204 -8.377 4.031 1.00 0.00 N ATOM 711 CA GLU A 49 10.526 -9.372 4.854 1.00 0.00 C ATOM 712 C GLU A 49 11.181 -9.479 6.228 1.00 0.00 C ATOM 713 O GLU A 49 10.545 -9.882 7.201 1.00 0.00 O ATOM 714 CB GLU A 49 10.542 -10.736 4.161 1.00 0.00 C ATOM 715 CG GLU A 49 9.897 -11.842 4.980 1.00 0.00 C ATOM 716 CD GLU A 49 8.514 -11.470 5.476 1.00 0.00 C ATOM 717 OE1 GLU A 49 7.812 -10.717 4.769 1.00 0.00 O ATOM 718 OE2 GLU A 49 8.133 -11.933 6.572 1.00 0.00 O ATOM 0 H GLU A 49 11.447 -8.699 3.094 1.00 0.00 H new ATOM 0 HA GLU A 49 9.492 -9.053 4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.025 -10.655 3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.574 -11.011 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.831 -12.746 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.534 -12.076 5.833 1.00 0.00 H new ATOM 725 N ASN A 50 12.458 -9.117 6.298 1.00 0.00 N ATOM 726 CA ASN A 50 13.200 -9.173 7.552 1.00 0.00 C ATOM 727 C ASN A 50 12.918 -7.942 8.408 1.00 0.00 C ATOM 728 O ASN A 50 12.742 -8.043 9.621 1.00 0.00 O ATOM 729 CB ASN A 50 14.701 -9.283 7.276 1.00 0.00 C ATOM 730 CG ASN A 50 15.012 -10.247 6.147 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.010 -11.464 6.337 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.282 -9.707 4.965 1.00 0.00 N ATOM 0 H ASN A 50 13.000 -8.782 5.502 1.00 0.00 H new ATOM 0 HA ASN A 50 12.872 -10.057 8.100 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.095 -8.298 7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.211 -9.611 8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.499 -10.306 4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.272 -8.693 4.853 1.00 0.00 H new ATOM 739 N GLY A 51 12.877 -6.778 7.765 1.00 0.00 N ATOM 740 CA GLY A 51 12.615 -5.544 8.482 1.00 0.00 C ATOM 741 C GLY A 51 13.596 -4.446 8.123 1.00 0.00 C ATOM 742 O GLY A 51 14.060 -3.707 8.992 1.00 0.00 O ATOM 0 H GLY A 51 13.021 -6.668 6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.602 -5.208 8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.663 -5.733 9.554 1.00 0.00 H new ATOM 746 N THR A 52 13.916 -4.337 6.837 1.00 0.00 N ATOM 747 CA THR A 52 14.850 -3.323 6.364 1.00 0.00 C ATOM 748 C THR A 52 14.154 -2.314 5.458 1.00 0.00 C ATOM 749 O THR A 52 14.055 -2.518 4.248 1.00 0.00 O ATOM 750 CB THR A 52 16.027 -3.957 5.600 1.00 0.00 C ATOM 751 OG1 THR A 52 16.680 -4.929 6.424 1.00 0.00 O ATOM 752 CG2 THR A 52 17.028 -2.895 5.171 1.00 0.00 C ATOM 0 H THR A 52 13.541 -4.939 6.104 1.00 0.00 H new ATOM 0 HA THR A 52 15.233 -2.810 7.246 1.00 0.00 H new ATOM 0 HB THR A 52 15.632 -4.444 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.426 -5.329 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.851 -3.366 4.633 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.536 -2.173 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.416 -2.384 6.052 1.00 0.00 H new ATOM 760 N ARG A 53 13.675 -1.226 6.050 1.00 0.00 N ATOM 761 CA ARG A 53 12.988 -0.185 5.295 1.00 0.00 C ATOM 762 C ARG A 53 13.763 0.171 4.030 1.00 0.00 C ATOM 763 O ARG A 53 14.941 0.526 4.090 1.00 0.00 O ATOM 764 CB ARG A 53 12.801 1.063 6.159 1.00 0.00 C ATOM 765 CG ARG A 53 11.504 1.067 6.952 1.00 0.00 C ATOM 766 CD ARG A 53 11.114 2.475 7.376 1.00 0.00 C ATOM 767 NE ARG A 53 10.354 2.480 8.623 1.00 0.00 N ATOM 768 CZ ARG A 53 10.265 3.535 9.424 1.00 0.00 C ATOM 769 NH1 ARG A 53 10.885 4.665 9.110 1.00 0.00 N ATOM 770 NH2 ARG A 53 9.554 3.462 10.542 1.00 0.00 N ATOM 0 H ARG A 53 13.750 -1.042 7.050 1.00 0.00 H new ATOM 0 HA ARG A 53 12.009 -0.568 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.640 1.145 6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.828 1.945 5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.706 0.633 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.614 0.437 7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.013 3.079 7.497 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.521 2.940 6.588 1.00 0.00 H new ATOM 0 HE ARG A 53 9.865 1.627 8.893 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.432 4.725 8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.815 5.474 9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.075 2.595 10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.486 4.273 11.157 1.00 0.00 H new ATOM 784 N VAL A 54 13.095 0.072 2.885 1.00 0.00 N ATOM 785 CA VAL A 54 13.721 0.384 1.605 1.00 0.00 C ATOM 786 C VAL A 54 13.228 1.721 1.064 1.00 0.00 C ATOM 787 O VAL A 54 14.012 2.522 0.556 1.00 0.00 O ATOM 788 CB VAL A 54 13.442 -0.715 0.562 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.157 -0.404 -0.745 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.861 -2.076 1.097 1.00 0.00 C ATOM 0 H VAL A 54 12.121 -0.222 2.817 1.00 0.00 H new ATOM 0 HA VAL A 54 14.795 0.442 1.783 1.00 0.00 H new ATOM 0 HB VAL A 54 12.370 -0.742 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.949 -1.191 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.804 0.551 -1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.231 -0.349 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.657 -2.840 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.927 -2.065 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.300 -2.299 2.004 1.00 0.00 H new ATOM 800 N GLN A 55 11.925 1.954 1.176 1.00 0.00 N ATOM 801 CA GLN A 55 11.327 3.195 0.697 1.00 0.00 C ATOM 802 C GLN A 55 10.387 3.785 1.742 1.00 0.00 C ATOM 803 O GLN A 55 9.471 3.114 2.216 1.00 0.00 O ATOM 804 CB GLN A 55 10.568 2.950 -0.609 1.00 0.00 C ATOM 805 CG GLN A 55 11.427 3.115 -1.852 1.00 0.00 C ATOM 806 CD GLN A 55 10.635 3.605 -3.048 1.00 0.00 C ATOM 807 OE1 GLN A 55 10.457 2.881 -4.028 1.00 0.00 O ATOM 808 NE2 GLN A 55 10.154 4.840 -2.974 1.00 0.00 N ATOM 0 H GLN A 55 11.263 1.300 1.594 1.00 0.00 H new ATOM 0 HA GLN A 55 12.130 3.908 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.154 1.942 -0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.726 3.640 -0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.232 3.819 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.893 2.160 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.326 5.405 -2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.613 5.224 -3.749 1.00 0.00 H new ATOM 817 N GLU A 56 10.620 5.045 2.097 1.00 0.00 N ATOM 818 CA GLU A 56 9.793 5.725 3.087 1.00 0.00 C ATOM 819 C GLU A 56 9.088 6.931 2.472 1.00 0.00 C ATOM 820 O GLU A 56 9.691 7.988 2.290 1.00 0.00 O ATOM 821 CB GLU A 56 10.646 6.171 4.276 1.00 0.00 C ATOM 822 CG GLU A 56 9.858 6.899 5.352 1.00 0.00 C ATOM 823 CD GLU A 56 10.720 7.310 6.530 1.00 0.00 C ATOM 824 OE1 GLU A 56 11.683 6.579 6.843 1.00 0.00 O ATOM 825 OE2 GLU A 56 10.432 8.361 7.138 1.00 0.00 O ATOM 0 H GLU A 56 11.374 5.615 1.714 1.00 0.00 H new ATOM 0 HA GLU A 56 9.036 5.022 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.125 5.297 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.442 6.823 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.394 7.785 4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.051 6.256 5.704 1.00 0.00 H new ATOM 832 N GLU A 57 7.808 6.762 2.155 1.00 0.00 N ATOM 833 CA GLU A 57 7.022 7.836 1.560 1.00 0.00 C ATOM 834 C GLU A 57 5.840 8.204 2.452 1.00 0.00 C ATOM 835 O GLU A 57 4.824 7.510 2.498 1.00 0.00 O ATOM 836 CB GLU A 57 6.520 7.423 0.175 1.00 0.00 C ATOM 837 CG GLU A 57 6.367 8.587 -0.790 1.00 0.00 C ATOM 838 CD GLU A 57 7.583 9.492 -0.809 1.00 0.00 C ATOM 839 OE1 GLU A 57 8.601 9.104 -1.420 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.518 10.587 -0.213 1.00 0.00 O ATOM 0 H GLU A 57 7.294 5.893 2.300 1.00 0.00 H new ATOM 0 HA GLU A 57 7.666 8.710 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.212 6.697 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.558 6.921 0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.190 8.201 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.489 9.170 -0.514 1.00 0.00 H new ATOM 847 N PRO A 58 5.975 9.322 3.180 1.00 0.00 N ATOM 848 CA PRO A 58 4.929 9.809 4.085 1.00 0.00 C ATOM 849 C PRO A 58 3.708 10.328 3.334 1.00 0.00 C ATOM 850 O PRO A 58 2.578 9.938 3.624 1.00 0.00 O ATOM 851 CB PRO A 58 5.617 10.949 4.842 1.00 0.00 C ATOM 852 CG PRO A 58 6.693 11.417 3.924 1.00 0.00 C ATOM 853 CD PRO A 58 7.159 10.198 3.176 1.00 0.00 C ATOM 0 HA PRO A 58 4.549 9.018 4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.916 11.751 5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.028 10.603 5.790 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.318 12.176 3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.513 11.869 4.482 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.473 10.445 2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.010 9.726 3.667 1.00 0.00 H new ATOM 861 N GLU A 59 3.945 11.210 2.367 1.00 0.00 N ATOM 862 CA GLU A 59 2.863 11.783 1.575 1.00 0.00 C ATOM 863 C GLU A 59 2.889 11.243 0.148 1.00 0.00 C ATOM 864 O GLU A 59 3.399 11.894 -0.765 1.00 0.00 O ATOM 865 CB GLU A 59 2.966 13.309 1.557 1.00 0.00 C ATOM 866 CG GLU A 59 1.895 13.982 0.716 1.00 0.00 C ATOM 867 CD GLU A 59 1.849 15.484 0.922 1.00 0.00 C ATOM 868 OE1 GLU A 59 2.616 16.199 0.243 1.00 0.00 O ATOM 869 OE2 GLU A 59 1.048 15.944 1.762 1.00 0.00 O ATOM 0 H GLU A 59 4.875 11.543 2.114 1.00 0.00 H new ATOM 0 HA GLU A 59 1.918 11.496 2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.900 13.681 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.947 13.594 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.078 13.769 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.923 13.555 0.963 1.00 0.00 H new ATOM 876 N LEU A 60 2.336 10.049 -0.037 1.00 0.00 N ATOM 877 CA LEU A 60 2.295 9.420 -1.352 1.00 0.00 C ATOM 878 C LEU A 60 0.991 9.747 -2.072 1.00 0.00 C ATOM 879 O LEU A 60 -0.096 9.577 -1.519 1.00 0.00 O ATOM 880 CB LEU A 60 2.452 7.905 -1.220 1.00 0.00 C ATOM 881 CG LEU A 60 2.141 7.086 -2.473 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.644 7.066 -2.740 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.892 7.643 -3.674 1.00 0.00 C ATOM 0 H LEU A 60 1.910 9.497 0.708 1.00 0.00 H new ATOM 0 HA LEU A 60 3.123 9.814 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.477 7.691 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.802 7.561 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 60 2.473 6.061 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.442 6.478 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.129 6.620 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.287 8.085 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.659 7.048 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.591 8.677 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.964 7.604 -3.483 1.00 0.00 H new ATOM 895 N VAL A 61 1.106 10.216 -3.311 1.00 0.00 N ATOM 896 CA VAL A 61 -0.064 10.564 -4.108 1.00 0.00 C ATOM 897 C VAL A 61 -0.002 9.916 -5.487 1.00 0.00 C ATOM 898 O VAL A 61 1.079 9.708 -6.039 1.00 0.00 O ATOM 899 CB VAL A 61 -0.196 12.089 -4.276 1.00 0.00 C ATOM 900 CG1 VAL A 61 0.933 12.631 -5.139 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.550 12.444 -4.871 1.00 0.00 C ATOM 0 H VAL A 61 1.998 10.363 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.935 10.188 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.124 12.553 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.823 13.710 -5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.890 12.409 -4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.896 12.163 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.626 13.526 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.654 11.970 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.342 12.091 -4.210 1.00 0.00 H new ATOM 911 N PHE A 62 -1.168 9.598 -6.039 1.00 0.00 N ATOM 912 CA PHE A 62 -1.247 8.973 -7.353 1.00 0.00 C ATOM 913 C PHE A 62 -2.680 8.986 -7.877 1.00 0.00 C ATOM 914 O PHE A 62 -3.612 9.361 -7.164 1.00 0.00 O ATOM 915 CB PHE A 62 -0.730 7.534 -7.289 1.00 0.00 C ATOM 916 CG PHE A 62 -1.611 6.615 -6.493 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.881 6.289 -6.943 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.170 6.076 -5.296 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.694 5.444 -6.212 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.979 5.230 -4.560 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.242 4.913 -5.020 1.00 0.00 C ATOM 0 H PHE A 62 -2.072 9.763 -5.596 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.623 9.547 -8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.635 7.145 -8.303 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.269 7.534 -6.853 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.239 6.700 -7.875 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.182 6.319 -4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.682 5.199 -6.573 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.624 4.818 -3.627 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.875 4.251 -4.448 1.00 0.00 H new ATOM 931 N THR A 63 -2.850 8.576 -9.130 1.00 0.00 N ATOM 932 CA THR A 63 -4.168 8.542 -9.752 1.00 0.00 C ATOM 933 C THR A 63 -4.711 7.119 -9.811 1.00 0.00 C ATOM 934 O THR A 63 -4.420 6.371 -10.746 1.00 0.00 O ATOM 935 CB THR A 63 -4.133 9.126 -11.176 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.712 10.494 -11.135 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.501 9.031 -11.835 1.00 0.00 C ATOM 0 H THR A 63 -2.091 8.263 -9.735 1.00 0.00 H new ATOM 0 HA THR A 63 -4.825 9.153 -9.134 1.00 0.00 H new ATOM 0 HB THR A 63 -3.423 8.545 -11.765 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.691 10.857 -12.045 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.451 9.450 -12.840 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.805 7.986 -11.892 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.228 9.589 -11.245 1.00 0.00 H new ATOM 945 N LEU A 64 -5.503 6.751 -8.810 1.00 0.00 N ATOM 946 CA LEU A 64 -6.088 5.416 -8.749 1.00 0.00 C ATOM 947 C LEU A 64 -6.574 4.971 -10.125 1.00 0.00 C ATOM 948 O LEU A 64 -7.230 5.729 -10.838 1.00 0.00 O ATOM 949 CB LEU A 64 -7.250 5.392 -7.754 1.00 0.00 C ATOM 950 CG LEU A 64 -7.965 4.050 -7.589 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.971 2.955 -7.234 1.00 0.00 C ATOM 952 CD2 LEU A 64 -9.051 4.152 -6.528 1.00 0.00 C ATOM 0 H LEU A 64 -5.755 7.358 -8.030 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.316 4.723 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.874 5.703 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.984 6.136 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.435 3.791 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.498 2.008 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.230 2.865 -8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.472 3.206 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.549 3.188 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.603 4.434 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.779 4.907 -6.824 1.00 0.00 H new ATOM 964 N GLY A 65 -6.248 3.735 -10.491 1.00 0.00 N ATOM 965 CA GLY A 65 -6.660 3.209 -11.779 1.00 0.00 C ATOM 966 C GLY A 65 -5.507 3.098 -12.757 1.00 0.00 C ATOM 967 O GLY A 65 -5.405 2.121 -13.499 1.00 0.00 O ATOM 0 H GLY A 65 -5.706 3.088 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.109 2.226 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.430 3.854 -12.202 1.00 0.00 H new ATOM 971 N ASP A 66 -4.637 4.102 -12.759 1.00 0.00 N ATOM 972 CA ASP A 66 -3.485 4.114 -13.653 1.00 0.00 C ATOM 973 C ASP A 66 -2.346 3.274 -13.083 1.00 0.00 C ATOM 974 O ASP A 66 -1.324 3.070 -13.739 1.00 0.00 O ATOM 975 CB ASP A 66 -3.010 5.548 -13.889 1.00 0.00 C ATOM 976 CG ASP A 66 -2.188 5.685 -15.155 1.00 0.00 C ATOM 977 OD1 ASP A 66 -1.328 4.813 -15.401 1.00 0.00 O ATOM 978 OD2 ASP A 66 -2.403 6.665 -15.900 1.00 0.00 O ATOM 0 H ASP A 66 -4.708 4.918 -12.151 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.791 3.680 -14.605 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.875 6.209 -13.948 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.416 5.876 -13.036 1.00 0.00 H new ATOM 983 N CYS A 67 -2.529 2.792 -11.859 1.00 0.00 N ATOM 984 CA CYS A 67 -1.516 1.976 -11.200 1.00 0.00 C ATOM 985 C CYS A 67 -0.169 2.690 -11.183 1.00 0.00 C ATOM 986 O CYS A 67 0.875 2.073 -11.396 1.00 0.00 O ATOM 987 CB CYS A 67 -1.382 0.625 -11.903 1.00 0.00 C ATOM 988 SG CYS A 67 -0.867 -0.726 -10.817 1.00 0.00 S ATOM 0 H CYS A 67 -3.369 2.952 -11.303 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.832 1.811 -10.170 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.339 0.367 -12.357 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.660 0.720 -12.714 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.784 -1.827 -11.503 1.00 0.00 H new ATOM 994 N ASP A 68 -0.199 3.994 -10.931 1.00 0.00 N ATOM 995 CA ASP A 68 1.020 4.794 -10.888 1.00 0.00 C ATOM 996 C ASP A 68 1.905 4.372 -9.720 1.00 0.00 C ATOM 997 O ASP A 68 3.052 4.804 -9.609 1.00 0.00 O ATOM 998 CB ASP A 68 0.677 6.280 -10.773 1.00 0.00 C ATOM 999 CG ASP A 68 0.455 6.929 -12.125 1.00 0.00 C ATOM 1000 OD1 ASP A 68 1.437 7.075 -12.882 1.00 0.00 O ATOM 1001 OD2 ASP A 68 -0.702 7.290 -12.427 1.00 0.00 O ATOM 0 H ASP A 68 -1.055 4.520 -10.753 1.00 0.00 H new ATOM 0 HA ASP A 68 1.568 4.627 -11.815 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.220 6.397 -10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.484 6.797 -10.253 1.00 0.00 H new ATOM 1006 N VAL A 69 1.364 3.525 -8.850 1.00 0.00 N ATOM 1007 CA VAL A 69 2.105 3.044 -7.689 1.00 0.00 C ATOM 1008 C VAL A 69 2.217 1.524 -7.701 1.00 0.00 C ATOM 1009 O VAL A 69 1.759 0.864 -8.635 1.00 0.00 O ATOM 1010 CB VAL A 69 1.438 3.488 -6.374 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.605 4.986 -6.171 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.033 3.101 -6.366 1.00 0.00 C ATOM 0 H VAL A 69 0.416 3.158 -8.927 1.00 0.00 H new ATOM 0 HA VAL A 69 3.102 3.480 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 69 1.929 2.976 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.128 5.282 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.666 5.232 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.141 5.520 -7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.489 3.422 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.541 3.584 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.125 2.019 -6.462 1.00 0.00 H new ATOM 1022 N ILE A 70 2.829 0.973 -6.658 1.00 0.00 N ATOM 1023 CA ILE A 70 3.000 -0.470 -6.547 1.00 0.00 C ATOM 1024 C ILE A 70 1.708 -1.204 -6.885 1.00 0.00 C ATOM 1025 O ILE A 70 0.614 -0.716 -6.604 1.00 0.00 O ATOM 1026 CB ILE A 70 3.453 -0.876 -5.132 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.523 0.089 -4.618 1.00 0.00 C ATOM 1028 CG2 ILE A 70 3.978 -2.304 -5.133 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.612 0.377 -5.627 1.00 0.00 C ATOM 0 H ILE A 70 3.215 1.505 -5.878 1.00 0.00 H new ATOM 0 HA ILE A 70 3.773 -0.752 -7.262 1.00 0.00 H new ATOM 0 HB ILE A 70 2.593 -0.825 -4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.047 1.027 -4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.974 -0.328 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.294 -2.576 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.190 -2.981 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.827 -2.379 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.335 1.068 -5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.114 -0.552 -5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.173 0.823 -6.519 1.00 0.00 H new ATOM 1041 N GLN A 71 1.842 -2.381 -7.489 1.00 0.00 N ATOM 1042 CA GLN A 71 0.684 -3.184 -7.864 1.00 0.00 C ATOM 1043 C GLN A 71 -0.026 -3.726 -6.629 1.00 0.00 C ATOM 1044 O GLN A 71 -1.168 -4.177 -6.705 1.00 0.00 O ATOM 1045 CB GLN A 71 1.111 -4.340 -8.770 1.00 0.00 C ATOM 1046 CG GLN A 71 1.092 -3.992 -10.250 1.00 0.00 C ATOM 1047 CD GLN A 71 1.328 -5.199 -11.136 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.447 -5.704 -11.232 1.00 0.00 O ATOM 1049 NE2 GLN A 71 0.272 -5.669 -11.791 1.00 0.00 N ATOM 0 H GLN A 71 2.741 -2.799 -7.729 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.010 -2.543 -8.407 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.117 -4.656 -8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.451 -5.190 -8.597 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.131 -3.544 -10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.856 -3.242 -10.453 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.637 -5.220 -11.682 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.370 -6.479 -12.403 1.00 0.00 H new ATOM 1058 N ALA A 72 0.658 -3.678 -5.490 1.00 0.00 N ATOM 1059 CA ALA A 72 0.092 -4.163 -4.238 1.00 0.00 C ATOM 1060 C ALA A 72 -0.541 -3.025 -3.444 1.00 0.00 C ATOM 1061 O ALA A 72 -1.198 -3.253 -2.428 1.00 0.00 O ATOM 1062 CB ALA A 72 1.162 -4.856 -3.408 1.00 0.00 C ATOM 0 H ALA A 72 1.605 -3.308 -5.409 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.690 -4.883 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.725 -5.213 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.565 -5.701 -3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.964 -4.151 -3.186 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.339 -1.799 -3.914 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.890 -0.624 -3.248 1.00 0.00 C ATOM 1070 C LEU A 73 -2.133 -0.119 -3.973 1.00 0.00 C ATOM 1071 O LEU A 73 -3.143 0.200 -3.346 1.00 0.00 O ATOM 1072 CB LEU A 73 0.160 0.487 -3.179 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.373 1.901 -2.946 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.203 1.956 -1.673 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.773 2.899 -2.881 1.00 0.00 C ATOM 0 H LEU A 73 0.202 -1.593 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.174 -0.911 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.861 0.248 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.726 0.483 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.015 2.169 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.574 2.970 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.046 1.270 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.585 1.667 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.375 3.900 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.441 2.633 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.326 2.880 -3.820 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.053 -0.053 -5.297 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.173 0.409 -6.109 1.00 0.00 C ATOM 1089 C ASP A 74 -4.289 -0.631 -6.138 1.00 0.00 C ATOM 1090 O ASP A 74 -5.468 -0.290 -6.237 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.707 0.716 -7.533 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.533 1.803 -8.191 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -3.488 2.955 -7.712 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -4.223 1.502 -9.187 1.00 0.00 O ATOM 0 H ASP A 74 -1.224 -0.314 -5.831 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.563 1.322 -5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.661 1.021 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.762 -0.192 -8.134 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.908 -1.901 -6.053 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.876 -2.992 -6.071 1.00 0.00 C ATOM 1101 C LEU A 75 -5.525 -3.167 -4.701 1.00 0.00 C ATOM 1102 O LEU A 75 -6.438 -3.976 -4.534 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.198 -4.295 -6.496 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.845 -4.415 -7.979 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.285 -3.101 -8.503 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.852 -5.547 -8.202 1.00 0.00 C ATOM 0 H LEU A 75 -2.936 -2.200 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.654 -2.742 -6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.283 -4.412 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.852 -5.125 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.756 -4.644 -8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.040 -3.206 -9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.029 -2.314 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.385 -2.841 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.613 -5.617 -9.263 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.941 -5.349 -7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.290 -6.487 -7.866 1.00 0.00 H new ATOM 1118 N SER A 76 -5.048 -2.402 -3.724 1.00 0.00 N ATOM 1119 CA SER A 76 -5.581 -2.474 -2.368 1.00 0.00 C ATOM 1120 C SER A 76 -6.205 -1.143 -1.959 1.00 0.00 C ATOM 1121 O SER A 76 -7.160 -1.105 -1.183 1.00 0.00 O ATOM 1122 CB SER A 76 -4.474 -2.856 -1.383 1.00 0.00 C ATOM 1123 OG SER A 76 -3.486 -1.843 -1.308 1.00 0.00 O ATOM 0 H SER A 76 -4.294 -1.726 -3.846 1.00 0.00 H new ATOM 0 HA SER A 76 -6.356 -3.240 -2.348 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.904 -3.023 -0.395 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.014 -3.794 -1.694 1.00 0.00 H new ATOM 0 HG SER A 76 -3.506 -1.305 -2.127 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.658 -0.053 -2.487 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.161 1.280 -2.179 1.00 0.00 C ATOM 1131 C VAL A 77 -7.679 1.338 -2.302 1.00 0.00 C ATOM 1132 O VAL A 77 -8.390 1.710 -1.368 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.541 2.343 -3.106 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.513 3.491 -3.327 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.226 2.849 -2.532 1.00 0.00 C ATOM 0 H VAL A 77 -4.866 -0.067 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.875 1.495 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.335 1.882 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.058 4.232 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.426 3.111 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.753 3.954 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.802 3.599 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.404 3.294 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.529 2.017 -2.432 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.191 0.959 -3.483 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.631 0.958 -3.757 1.00 0.00 C ATOM 1147 C PRO A 78 -10.368 -0.127 -2.979 1.00 0.00 C ATOM 1148 O PRO A 78 -11.571 -0.325 -3.157 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.706 0.681 -5.261 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.445 -0.048 -5.575 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.404 0.504 -4.641 1.00 0.00 C ATOM 0 HA PRO A 78 -10.103 1.894 -3.458 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.582 0.082 -5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.780 1.607 -5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.569 -1.121 -5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.156 0.103 -6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.675 -0.255 -4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.849 1.324 -5.097 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.641 -0.828 -2.116 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.226 -1.893 -1.310 1.00 0.00 C ATOM 1161 C LEU A 79 -10.250 -1.509 0.166 1.00 0.00 C ATOM 1162 O LEU A 79 -10.598 -2.320 1.023 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.439 -3.192 -1.497 1.00 0.00 C ATOM 1164 CG LEU A 79 -9.209 -3.634 -2.943 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.593 -5.025 -2.984 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.514 -3.603 -3.725 1.00 0.00 C ATOM 0 H LEU A 79 -8.645 -0.678 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.252 -2.045 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.469 -3.078 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.964 -3.990 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.513 -2.937 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.436 -5.323 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.637 -5.015 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.264 -5.735 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.331 -3.921 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.233 -4.277 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.914 -2.589 -3.725 1.00 0.00 H new ATOM 1178 N MET A 80 -9.880 -0.265 0.454 1.00 0.00 N ATOM 1179 CA MET A 80 -9.862 0.228 1.826 1.00 0.00 C ATOM 1180 C MET A 80 -10.681 1.509 1.954 1.00 0.00 C ATOM 1181 O MET A 80 -10.854 2.245 0.983 1.00 0.00 O ATOM 1182 CB MET A 80 -8.424 0.480 2.282 1.00 0.00 C ATOM 1183 CG MET A 80 -7.843 1.786 1.765 1.00 0.00 C ATOM 1184 SD MET A 80 -6.048 1.733 1.604 1.00 0.00 S ATOM 1185 CE MET A 80 -5.564 1.467 3.308 1.00 0.00 C ATOM 0 H MET A 80 -9.589 0.419 -0.244 1.00 0.00 H new ATOM 0 HA MET A 80 -10.309 -0.534 2.465 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.392 0.484 3.372 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.795 -0.345 1.948 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.284 2.017 0.795 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.119 2.595 2.441 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.964 2.309 3.651 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.455 1.379 3.930 1.00 0.00 H new ATOM 0 HE3 MET A 80 -4.978 0.551 3.381 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.182 1.767 3.157 1.00 0.00 N ATOM 1196 CA ASP A 81 -11.982 2.960 3.411 1.00 0.00 C ATOM 1197 C ASP A 81 -11.096 4.131 3.823 1.00 0.00 C ATOM 1198 O ASP A 81 -10.014 3.939 4.378 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.019 2.681 4.501 1.00 0.00 C ATOM 1200 CG ASP A 81 -13.564 1.268 4.434 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -12.897 0.351 4.958 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.656 1.079 3.858 1.00 0.00 O ATOM 0 H ASP A 81 -11.049 1.167 3.971 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.498 3.225 2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.567 2.847 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.842 3.390 4.405 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.562 5.345 3.546 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.812 6.548 3.887 1.00 0.00 C ATOM 1209 C VAL A 82 -10.726 6.732 5.398 1.00 0.00 C ATOM 1210 O VAL A 82 -11.702 7.109 6.044 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.450 7.803 3.264 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -12.966 7.739 3.368 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.914 9.060 3.931 1.00 0.00 C ATOM 0 H VAL A 82 -12.455 5.521 3.086 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.808 6.421 3.481 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.184 7.838 2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.399 8.634 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.330 6.858 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.257 7.679 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.376 9.937 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.148 9.035 4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.833 9.110 3.798 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.549 6.463 5.956 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.357 6.605 7.387 1.00 0.00 C ATOM 1225 C GLY A 83 -8.996 5.294 8.057 1.00 0.00 C ATOM 1226 O GLY A 83 -8.756 5.251 9.263 1.00 0.00 O ATOM 0 H GLY A 83 -8.726 6.149 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.569 7.334 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.269 6.999 7.835 1.00 0.00 H new ATOM 1230 N GLU A 84 -8.961 4.221 7.272 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.630 2.902 7.799 1.00 0.00 C ATOM 1232 C GLU A 84 -7.276 2.431 7.275 1.00 0.00 C ATOM 1233 O GLU A 84 -7.014 2.469 6.072 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.714 1.891 7.421 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.187 0.480 7.217 1.00 0.00 C ATOM 1236 CD GLU A 84 -8.847 0.188 5.769 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -9.777 -0.103 4.987 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -7.650 0.250 5.416 1.00 0.00 O ATOM 0 H GLU A 84 -9.157 4.239 6.271 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.575 2.976 8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.474 1.876 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.205 2.222 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.298 0.336 7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.933 -0.236 7.563 1.00 0.00 H new ATOM 1245 N THR A 85 -6.417 1.988 8.188 1.00 0.00 N ATOM 1246 CA THR A 85 -5.089 1.511 7.820 1.00 0.00 C ATOM 1247 C THR A 85 -5.120 0.035 7.442 1.00 0.00 C ATOM 1248 O THR A 85 -5.723 -0.781 8.137 1.00 0.00 O ATOM 1249 CB THR A 85 -4.082 1.714 8.967 1.00 0.00 C ATOM 1250 OG1 THR A 85 -3.966 3.108 9.276 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.716 1.157 8.593 1.00 0.00 C ATOM 0 H THR A 85 -6.617 1.950 9.187 1.00 0.00 H new ATOM 0 HA THR A 85 -4.770 2.097 6.958 1.00 0.00 H new ATOM 0 HB THR A 85 -4.448 1.177 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.325 3.229 10.007 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.021 1.312 9.419 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.802 0.090 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.345 1.669 7.706 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.466 -0.301 6.335 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.416 -1.680 5.866 1.00 0.00 C ATOM 1261 C ALA A 86 -3.045 -2.015 5.287 1.00 0.00 C ATOM 1262 O ALA A 86 -2.443 -1.203 4.585 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.502 -1.925 4.829 1.00 0.00 C ATOM 0 H ALA A 86 -3.963 0.363 5.746 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.590 -2.334 6.721 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.453 -2.959 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.479 -1.736 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.354 -1.256 3.982 1.00 0.00 H new ATOM 1269 N MET A 87 -2.558 -3.214 5.588 1.00 0.00 N ATOM 1270 CA MET A 87 -1.257 -3.655 5.096 1.00 0.00 C ATOM 1271 C MET A 87 -1.414 -4.555 3.875 1.00 0.00 C ATOM 1272 O MET A 87 -2.477 -5.136 3.652 1.00 0.00 O ATOM 1273 CB MET A 87 -0.497 -4.397 6.197 1.00 0.00 C ATOM 1274 CG MET A 87 0.766 -5.085 5.705 1.00 0.00 C ATOM 1275 SD MET A 87 1.900 -5.495 7.046 1.00 0.00 S ATOM 1276 CE MET A 87 2.453 -3.862 7.533 1.00 0.00 C ATOM 0 H MET A 87 -3.043 -3.897 6.169 1.00 0.00 H new ATOM 0 HA MET A 87 -0.689 -2.772 4.803 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.233 -3.691 6.984 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.156 -5.141 6.644 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.495 -5.996 5.172 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.273 -4.437 4.990 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.352 -3.949 8.143 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.673 -3.272 6.643 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.670 -3.370 8.110 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.350 -4.667 3.087 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.370 -5.498 1.889 1.00 0.00 C ATOM 1288 C VAL A 88 0.930 -6.281 1.741 1.00 0.00 C ATOM 1289 O VAL A 88 2.021 -5.719 1.839 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.592 -4.650 0.622 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -1.894 -3.870 0.723 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.584 -3.713 0.395 1.00 0.00 C ATOM 0 H VAL A 88 0.537 -4.193 3.256 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.200 -6.195 2.001 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.663 -5.320 -0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.034 -3.277 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.727 -4.565 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.856 -3.209 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.410 -3.122 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.690 -3.048 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.496 -4.297 0.274 1.00 0.00 H new ATOM 1302 N THR A 89 0.806 -7.583 1.504 1.00 0.00 N ATOM 1303 CA THR A 89 1.970 -8.445 1.343 1.00 0.00 C ATOM 1304 C THR A 89 1.930 -9.180 0.008 1.00 0.00 C ATOM 1305 O THR A 89 1.218 -10.172 -0.143 1.00 0.00 O ATOM 1306 CB THR A 89 2.067 -9.477 2.482 1.00 0.00 C ATOM 1307 OG1 THR A 89 0.776 -10.039 2.745 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.614 -8.836 3.749 1.00 0.00 C ATOM 0 H THR A 89 -0.090 -8.064 1.419 1.00 0.00 H new ATOM 0 HA THR A 89 2.848 -7.799 1.373 1.00 0.00 H new ATOM 0 HB THR A 89 2.750 -10.267 2.169 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.434 -10.466 1.932 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.673 -9.585 4.539 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.609 -8.435 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.953 -8.029 4.063 1.00 0.00 H new ATOM 1316 N ALA A 90 2.700 -8.687 -0.956 1.00 0.00 N ATOM 1317 CA ALA A 90 2.755 -9.300 -2.278 1.00 0.00 C ATOM 1318 C ALA A 90 4.190 -9.638 -2.668 1.00 0.00 C ATOM 1319 O ALA A 90 5.140 -9.114 -2.088 1.00 0.00 O ATOM 1320 CB ALA A 90 2.128 -8.378 -3.313 1.00 0.00 C ATOM 0 H ALA A 90 3.294 -7.865 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 90 2.187 -10.230 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.176 -8.848 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.087 -8.191 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.672 -7.434 -3.336 1.00 0.00 H new ATOM 1326 N ASP A 91 4.338 -10.517 -3.652 1.00 0.00 N ATOM 1327 CA ASP A 91 5.658 -10.926 -4.120 1.00 0.00 C ATOM 1328 C ASP A 91 6.338 -9.793 -4.883 1.00 0.00 C ATOM 1329 O ASP A 91 5.675 -8.969 -5.512 1.00 0.00 O ATOM 1330 CB ASP A 91 5.546 -12.163 -5.012 1.00 0.00 C ATOM 1331 CG ASP A 91 6.828 -12.447 -5.771 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.754 -13.032 -5.172 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.904 -12.084 -6.964 1.00 0.00 O ATOM 0 H ASP A 91 3.561 -10.961 -4.142 1.00 0.00 H new ATOM 0 HA ASP A 91 6.266 -11.170 -3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.291 -13.028 -4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.730 -12.023 -5.721 1.00 0.00 H new ATOM 1338 N SER A 92 7.666 -9.759 -4.821 1.00 0.00 N ATOM 1339 CA SER A 92 8.436 -8.724 -5.502 1.00 0.00 C ATOM 1340 C SER A 92 7.842 -8.419 -6.874 1.00 0.00 C ATOM 1341 O SER A 92 7.873 -7.279 -7.337 1.00 0.00 O ATOM 1342 CB SER A 92 9.895 -9.160 -5.650 1.00 0.00 C ATOM 1343 OG SER A 92 10.744 -8.043 -5.847 1.00 0.00 O ATOM 0 H SER A 92 8.230 -10.435 -4.307 1.00 0.00 H new ATOM 0 HA SER A 92 8.394 -7.817 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.207 -9.705 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.989 -9.845 -6.492 1.00 0.00 H new ATOM 0 HG SER A 92 11.671 -8.348 -5.937 1.00 0.00 H new ATOM 1349 N LYS A 93 7.301 -9.447 -7.519 1.00 0.00 N ATOM 1350 CA LYS A 93 6.698 -9.292 -8.837 1.00 0.00 C ATOM 1351 C LYS A 93 5.699 -8.139 -8.846 1.00 0.00 C ATOM 1352 O LYS A 93 5.698 -7.313 -9.760 1.00 0.00 O ATOM 1353 CB LYS A 93 6.002 -10.588 -9.258 1.00 0.00 C ATOM 1354 CG LYS A 93 4.838 -10.972 -8.361 1.00 0.00 C ATOM 1355 CD LYS A 93 4.550 -12.462 -8.429 1.00 0.00 C ATOM 1356 CE LYS A 93 3.721 -12.815 -9.654 1.00 0.00 C ATOM 1357 NZ LYS A 93 4.001 -14.196 -10.134 1.00 0.00 N ATOM 0 H LYS A 93 7.268 -10.397 -7.150 1.00 0.00 H new ATOM 0 HA LYS A 93 7.493 -9.066 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.642 -10.481 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.731 -11.398 -9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.062 -10.690 -7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.949 -10.415 -8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.489 -13.014 -8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.020 -12.773 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.662 -12.721 -9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.932 -12.103 -10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.416 -14.398 -10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.007 -14.279 -10.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.776 -14.877 -9.381 1.00 0.00 H new ATOM 1371 N TYR A 94 4.853 -8.088 -7.824 1.00 0.00 N ATOM 1372 CA TYR A 94 3.848 -7.037 -7.715 1.00 0.00 C ATOM 1373 C TYR A 94 4.437 -5.785 -7.071 1.00 0.00 C ATOM 1374 O TYR A 94 3.875 -4.695 -7.180 1.00 0.00 O ATOM 1375 CB TYR A 94 2.651 -7.529 -6.900 1.00 0.00 C ATOM 1376 CG TYR A 94 1.968 -8.739 -7.497 1.00 0.00 C ATOM 1377 CD1 TYR A 94 1.234 -8.637 -8.672 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.057 -9.983 -6.885 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.607 -9.739 -9.221 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.435 -11.091 -7.428 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.711 -10.964 -8.595 1.00 0.00 C ATOM 1382 OH TYR A 94 0.089 -12.065 -9.137 1.00 0.00 O ATOM 0 H TYR A 94 4.843 -8.762 -7.059 1.00 0.00 H new ATOM 0 HA TYR A 94 3.514 -6.783 -8.721 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.984 -7.771 -5.891 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.926 -6.720 -6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.152 -7.680 -9.165 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.621 -10.086 -5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.039 -9.642 -10.134 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.515 -12.052 -6.941 1.00 0.00 H new ATOM 0 HH TYR A 94 0.545 -12.324 -9.965 1.00 0.00 H new ATOM 1392 N CYS A 95 5.572 -5.952 -6.401 1.00 0.00 N ATOM 1393 CA CYS A 95 6.238 -4.836 -5.738 1.00 0.00 C ATOM 1394 C CYS A 95 7.029 -4.002 -6.740 1.00 0.00 C ATOM 1395 O CYS A 95 6.661 -2.868 -7.047 1.00 0.00 O ATOM 1396 CB CYS A 95 7.168 -5.351 -4.638 1.00 0.00 C ATOM 1397 SG CYS A 95 6.372 -6.473 -3.464 1.00 0.00 S ATOM 0 H CYS A 95 6.050 -6.848 -6.302 1.00 0.00 H new ATOM 0 HA CYS A 95 5.473 -4.203 -5.290 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.011 -5.864 -5.101 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.574 -4.499 -4.092 1.00 0.00 H new ATOM 0 HG CYS A 95 7.239 -6.856 -2.574 1.00 0.00 H new ATOM 1403 N TYR A 96 8.118 -4.570 -7.246 1.00 0.00 N ATOM 1404 CA TYR A 96 8.964 -3.878 -8.210 1.00 0.00 C ATOM 1405 C TYR A 96 9.161 -4.721 -9.466 1.00 0.00 C ATOM 1406 O TYR A 96 9.179 -4.200 -10.581 1.00 0.00 O ATOM 1407 CB TYR A 96 10.321 -3.548 -7.586 1.00 0.00 C ATOM 1408 CG TYR A 96 10.247 -2.509 -6.490 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.916 -2.867 -5.189 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.508 -1.171 -6.755 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.847 -1.921 -4.184 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.442 -0.218 -5.757 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.111 -0.598 -4.473 1.00 0.00 C ATOM 1414 OH TYR A 96 10.044 0.347 -3.475 1.00 0.00 O ATOM 0 H TYR A 96 8.436 -5.509 -7.004 1.00 0.00 H new ATOM 0 HA TYR A 96 8.466 -2.950 -8.491 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.757 -4.461 -7.181 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.994 -3.193 -8.367 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.709 -3.902 -4.959 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.767 -0.870 -7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.588 -2.216 -3.178 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.648 0.818 -5.981 1.00 0.00 H new ATOM 0 HH TYR A 96 10.274 1.226 -3.841 1.00 0.00 H new ATOM 1424 N GLY A 97 9.307 -6.029 -9.277 1.00 0.00 N ATOM 1425 CA GLY A 97 9.500 -6.925 -10.402 1.00 0.00 C ATOM 1426 C GLY A 97 10.623 -7.916 -10.168 1.00 0.00 C ATOM 1427 O GLY A 97 11.480 -7.723 -9.305 1.00 0.00 O ATOM 0 H GLY A 97 9.295 -6.484 -8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.574 -7.468 -10.593 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.716 -6.340 -11.296 1.00 0.00 H new ATOM 1431 N PRO A 98 10.627 -9.007 -10.948 1.00 0.00 N ATOM 1432 CA PRO A 98 11.647 -10.054 -10.840 1.00 0.00 C ATOM 1433 C PRO A 98 13.014 -9.584 -11.323 1.00 0.00 C ATOM 1434 O PRO A 98 13.994 -10.326 -11.258 1.00 0.00 O ATOM 1435 CB PRO A 98 11.112 -11.165 -11.747 1.00 0.00 C ATOM 1436 CG PRO A 98 10.243 -10.464 -12.733 1.00 0.00 C ATOM 1437 CD PRO A 98 9.636 -9.302 -11.997 1.00 0.00 C ATOM 0 HA PRO A 98 11.803 -10.366 -9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.924 -11.697 -12.243 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.548 -11.904 -11.177 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.823 -10.123 -13.591 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.470 -11.131 -13.115 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.480 -8.447 -12.655 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.665 -9.558 -11.572 1.00 0.00 H new ATOM 1445 N GLN A 99 13.073 -8.347 -11.806 1.00 0.00 N ATOM 1446 CA GLN A 99 14.321 -7.779 -12.301 1.00 0.00 C ATOM 1447 C GLN A 99 14.980 -6.906 -11.238 1.00 0.00 C ATOM 1448 O GLN A 99 16.203 -6.776 -11.197 1.00 0.00 O ATOM 1449 CB GLN A 99 14.067 -6.958 -13.566 1.00 0.00 C ATOM 1450 CG GLN A 99 13.213 -5.723 -13.329 1.00 0.00 C ATOM 1451 CD GLN A 99 13.384 -4.678 -14.414 1.00 0.00 C ATOM 1452 OE1 GLN A 99 14.379 -4.676 -15.139 1.00 0.00 O ATOM 1453 NE2 GLN A 99 12.411 -3.782 -14.531 1.00 0.00 N ATOM 0 H GLN A 99 12.271 -7.719 -11.865 1.00 0.00 H new ATOM 0 HA GLN A 99 14.995 -8.601 -12.540 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.024 -6.652 -13.989 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.579 -7.590 -14.307 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.165 -6.016 -13.274 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.473 -5.286 -12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.604 -3.821 -13.908 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.471 -3.055 -15.243 1.00 0.00 H new ATOM 1462 N GLY A 100 14.161 -6.308 -10.378 1.00 0.00 N ATOM 1463 CA GLY A 100 14.682 -5.454 -9.327 1.00 0.00 C ATOM 1464 C GLY A 100 14.246 -4.011 -9.483 1.00 0.00 C ATOM 1465 O GLY A 100 13.484 -3.680 -10.391 1.00 0.00 O ATOM 0 H GLY A 100 13.145 -6.400 -10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.348 -5.829 -8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.771 -5.504 -9.329 1.00 0.00 H new ATOM 1529 N TYR A 105 17.767 0.427 -4.455 1.00 0.00 N ATOM 1530 CA TYR A 105 17.792 -0.844 -5.169 1.00 0.00 C ATOM 1531 C TYR A 105 17.180 -1.957 -4.324 1.00 0.00 C ATOM 1532 O TYR A 105 17.356 -1.994 -3.106 1.00 0.00 O ATOM 1533 CB TYR A 105 19.227 -1.210 -5.552 1.00 0.00 C ATOM 1534 CG TYR A 105 19.370 -2.614 -6.095 1.00 0.00 C ATOM 1535 CD1 TYR A 105 19.227 -3.719 -5.265 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.648 -2.835 -7.438 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.357 -5.003 -5.756 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.779 -4.116 -7.939 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.633 -5.197 -7.094 1.00 0.00 C ATOM 1540 OH TYR A 105 19.763 -6.474 -7.588 1.00 0.00 O ATOM 0 HA TYR A 105 17.198 -0.733 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.586 -0.502 -6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.867 -1.101 -4.676 1.00 0.00 H new ATOM 0 HD1 TYR A 105 19.010 -3.571 -4.217 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.764 -1.991 -8.102 1.00 0.00 H new ATOM 0 HE1 TYR A 105 19.243 -5.851 -5.097 1.00 0.00 H new ATOM 0 HE2 TYR A 105 19.994 -4.270 -8.986 1.00 0.00 H new ATOM 0 HH TYR A 105 19.956 -6.435 -8.548 1.00 0.00 H new ATOM 1550 N ILE A 106 16.461 -2.861 -4.980 1.00 0.00 N ATOM 1551 CA ILE A 106 15.824 -3.976 -4.290 1.00 0.00 C ATOM 1552 C ILE A 106 16.061 -5.288 -5.029 1.00 0.00 C ATOM 1553 O ILE A 106 16.043 -5.349 -6.259 1.00 0.00 O ATOM 1554 CB ILE A 106 14.308 -3.752 -4.139 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.587 -4.094 -5.444 1.00 0.00 C ATOM 1556 CG2 ILE A 106 14.022 -2.315 -3.731 1.00 0.00 C ATOM 1557 CD1 ILE A 106 13.218 -5.556 -5.566 1.00 0.00 C ATOM 0 H ILE A 106 16.305 -2.843 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 106 16.275 -4.033 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 106 13.935 -4.412 -3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.681 -3.492 -5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.223 -3.817 -6.284 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.946 -2.173 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.508 -2.104 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.406 -1.637 -4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.710 -5.725 -6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.122 -6.164 -5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.556 -5.834 -4.746 1.00 0.00 H new ATOM 1569 N PRO A 107 16.288 -6.366 -4.264 1.00 0.00 N ATOM 1570 CA PRO A 107 16.531 -7.699 -4.825 1.00 0.00 C ATOM 1571 C PRO A 107 15.282 -8.295 -5.465 1.00 0.00 C ATOM 1572 O PRO A 107 14.161 -8.095 -4.998 1.00 0.00 O ATOM 1573 CB PRO A 107 16.954 -8.525 -3.607 1.00 0.00 C ATOM 1574 CG PRO A 107 16.332 -7.831 -2.445 1.00 0.00 C ATOM 1575 CD PRO A 107 16.324 -6.368 -2.792 1.00 0.00 C ATOM 0 HA PRO A 107 17.275 -7.677 -5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.605 -9.555 -3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 107 18.039 -8.562 -3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.320 -8.196 -2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.900 -8.013 -1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.458 -5.859 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.210 -5.860 -2.411 1.00 0.00 H new ATOM 1583 N PRO A 108 15.478 -9.044 -6.560 1.00 0.00 N ATOM 1584 CA PRO A 108 14.378 -9.686 -7.287 1.00 0.00 C ATOM 1585 C PRO A 108 13.750 -10.828 -6.498 1.00 0.00 C ATOM 1586 O PRO A 108 14.369 -11.383 -5.589 1.00 0.00 O ATOM 1587 CB PRO A 108 15.054 -10.218 -8.553 1.00 0.00 C ATOM 1588 CG PRO A 108 16.481 -10.405 -8.171 1.00 0.00 C ATOM 1589 CD PRO A 108 16.788 -9.324 -7.172 1.00 0.00 C ATOM 0 HA PRO A 108 13.559 -8.994 -7.483 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.605 -11.157 -8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.955 -9.515 -9.380 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.643 -11.393 -7.739 1.00 0.00 H new ATOM 0 HG3 PRO A 108 17.131 -10.327 -9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.515 -9.656 -6.431 1.00 0.00 H new ATOM 0 HD3 PRO A 108 17.205 -8.439 -7.653 1.00 0.00 H new ATOM 1597 N HIS A 109 12.516 -11.177 -6.850 1.00 0.00 N ATOM 1598 CA HIS A 109 11.804 -12.256 -6.174 1.00 0.00 C ATOM 1599 C HIS A 109 11.895 -12.101 -4.659 1.00 0.00 C ATOM 1600 O HIS A 109 11.834 -13.084 -3.921 1.00 0.00 O ATOM 1601 CB HIS A 109 12.371 -13.612 -6.595 1.00 0.00 C ATOM 1602 CG HIS A 109 12.424 -13.804 -8.080 1.00 0.00 C ATOM 1603 ND1 HIS A 109 13.469 -14.050 -8.904 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 11.307 -13.751 -8.886 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.969 -14.140 -10.180 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.662 -13.957 -10.141 1.00 0.00 N flip ATOM 0 H HIS A 109 11.989 -10.728 -7.599 1.00 0.00 H new ATOM 0 HA HIS A 109 10.755 -12.204 -6.464 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.376 -13.719 -6.187 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.763 -14.403 -6.156 1.00 0.00 H new ATOM 0 HD1 HIS A 109 14.446 -14.150 -8.629 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.299 -13.569 -8.544 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.550 -14.330 -11.070 1.00 0.00 H new ATOM 1615 N ALA A 110 12.042 -10.862 -4.203 1.00 0.00 N ATOM 1616 CA ALA A 110 12.141 -10.579 -2.777 1.00 0.00 C ATOM 1617 C ALA A 110 10.891 -9.865 -2.271 1.00 0.00 C ATOM 1618 O ALA A 110 10.665 -8.696 -2.580 1.00 0.00 O ATOM 1619 CB ALA A 110 13.380 -9.745 -2.488 1.00 0.00 C ATOM 0 H ALA A 110 12.095 -10.037 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 110 12.225 -11.529 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.440 -9.542 -1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.268 -10.292 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.320 -8.803 -3.034 1.00 0.00 H new ATOM 1625 N ALA A 111 10.083 -10.578 -1.494 1.00 0.00 N ATOM 1626 CA ALA A 111 8.857 -10.012 -0.945 1.00 0.00 C ATOM 1627 C ALA A 111 9.150 -8.769 -0.113 1.00 0.00 C ATOM 1628 O ALA A 111 10.283 -8.552 0.320 1.00 0.00 O ATOM 1629 CB ALA A 111 8.126 -11.050 -0.106 1.00 0.00 C ATOM 0 H ALA A 111 10.255 -11.548 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 111 8.218 -9.718 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.212 -10.614 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.874 -11.909 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.767 -11.372 0.714 1.00 0.00 H new ATOM 1635 N LEU A 112 8.125 -7.954 0.108 1.00 0.00 N ATOM 1636 CA LEU A 112 8.273 -6.730 0.888 1.00 0.00 C ATOM 1637 C LEU A 112 6.969 -6.374 1.595 1.00 0.00 C ATOM 1638 O LEU A 112 5.911 -6.306 0.969 1.00 0.00 O ATOM 1639 CB LEU A 112 8.710 -5.576 -0.015 1.00 0.00 C ATOM 1640 CG LEU A 112 10.001 -5.792 -0.805 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.982 -4.982 -2.092 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.211 -5.424 0.041 1.00 0.00 C ATOM 0 H LEU A 112 7.181 -8.119 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 112 9.039 -6.900 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.906 -5.370 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.830 -4.685 0.601 1.00 0.00 H new ATOM 0 HG LEU A 112 10.072 -6.848 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.909 -5.149 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.136 -5.293 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.887 -3.923 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.121 -5.584 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.146 -4.376 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.234 -6.048 0.934 1.00 0.00 H new ATOM 1654 N CYS A 113 7.054 -6.144 2.900 1.00 0.00 N ATOM 1655 CA CYS A 113 5.880 -5.792 3.692 1.00 0.00 C ATOM 1656 C CYS A 113 5.558 -4.308 3.557 1.00 0.00 C ATOM 1657 O CYS A 113 6.231 -3.459 4.145 1.00 0.00 O ATOM 1658 CB CYS A 113 6.108 -6.146 5.163 1.00 0.00 C ATOM 1659 SG CYS A 113 5.963 -7.910 5.529 1.00 0.00 S ATOM 0 H CYS A 113 7.923 -6.195 3.432 1.00 0.00 H new ATOM 0 HA CYS A 113 5.032 -6.364 3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 113 7.100 -5.805 5.458 1.00 0.00 H new ATOM 0 HB3 CYS A 113 5.389 -5.599 5.773 1.00 0.00 H new ATOM 0 HG CYS A 113 6.967 -8.546 5.002 1.00 0.00 H new ATOM 1665 N LEU A 114 4.528 -4.000 2.777 1.00 0.00 N ATOM 1666 CA LEU A 114 4.117 -2.617 2.563 1.00 0.00 C ATOM 1667 C LEU A 114 2.830 -2.307 3.321 1.00 0.00 C ATOM 1668 O LEU A 114 1.914 -3.127 3.368 1.00 0.00 O ATOM 1669 CB LEU A 114 3.920 -2.348 1.070 1.00 0.00 C ATOM 1670 CG LEU A 114 4.879 -3.073 0.125 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.425 -2.918 -1.318 1.00 0.00 C ATOM 1672 CD2 LEU A 114 6.297 -2.549 0.300 1.00 0.00 C ATOM 0 H LEU A 114 3.962 -4.689 2.282 1.00 0.00 H new ATOM 0 HA LEU A 114 4.906 -1.967 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.900 -2.625 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 114 4.015 -1.276 0.899 1.00 0.00 H new ATOM 0 HG LEU A 114 4.872 -4.134 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 114 5.119 -3.440 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.427 -3.342 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.402 -1.860 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.966 -3.076 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.321 -1.482 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.621 -2.713 1.328 1.00 0.00 H new ATOM 1684 N GLU A 115 2.769 -1.117 3.912 1.00 0.00 N ATOM 1685 CA GLU A 115 1.593 -0.700 4.666 1.00 0.00 C ATOM 1686 C GLU A 115 0.893 0.470 3.980 1.00 0.00 C ATOM 1687 O GLU A 115 1.519 1.480 3.657 1.00 0.00 O ATOM 1688 CB GLU A 115 1.988 -0.307 6.092 1.00 0.00 C ATOM 1689 CG GLU A 115 0.821 0.183 6.933 1.00 0.00 C ATOM 1690 CD GLU A 115 0.625 1.684 6.842 1.00 0.00 C ATOM 1691 OE1 GLU A 115 0.170 2.160 5.781 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.927 2.382 7.832 1.00 0.00 O ATOM 0 H GLU A 115 3.519 -0.426 3.883 1.00 0.00 H new ATOM 0 HA GLU A 115 0.901 -1.541 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.444 -1.166 6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.747 0.474 6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.091 -0.319 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.986 -0.096 7.974 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.410 0.325 3.759 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.196 1.368 3.112 1.00 0.00 C ATOM 1701 C VAL A 116 -2.107 2.070 4.112 1.00 0.00 C ATOM 1702 O VAL A 116 -2.735 1.428 4.955 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.053 0.796 1.967 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.474 1.902 1.011 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.295 -0.298 1.230 1.00 0.00 C ATOM 0 H VAL A 116 -0.943 -0.505 4.019 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.489 2.089 2.702 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.954 0.357 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.079 1.479 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.058 2.647 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.587 2.374 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.915 -0.691 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.376 0.114 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -1.050 -1.102 1.924 1.00 0.00 H new ATOM 1715 N THR A 117 -2.176 3.394 4.014 1.00 0.00 N ATOM 1716 CA THR A 117 -3.010 4.185 4.910 1.00 0.00 C ATOM 1717 C THR A 117 -3.728 5.298 4.155 1.00 0.00 C ATOM 1718 O THR A 117 -3.120 6.305 3.788 1.00 0.00 O ATOM 1719 CB THR A 117 -2.179 4.805 6.049 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.655 3.773 6.892 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.025 5.761 6.877 1.00 0.00 C ATOM 0 H THR A 117 -1.664 3.941 3.322 1.00 0.00 H new ATOM 0 HA THR A 117 -3.748 3.506 5.337 1.00 0.00 H new ATOM 0 HB THR A 117 -1.355 5.364 5.605 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.221 3.089 6.341 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.417 6.187 7.675 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.399 6.562 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 117 -3.866 5.220 7.311 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.023 5.112 3.926 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.824 6.102 3.215 1.00 0.00 C ATOM 1731 C LEU A 118 -5.993 7.367 4.050 1.00 0.00 C ATOM 1732 O LEU A 118 -6.634 7.349 5.101 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.195 5.521 2.865 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.827 6.027 1.568 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.284 7.469 1.725 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.847 5.899 0.411 1.00 0.00 C ATOM 0 H LEU A 118 -5.541 4.285 4.222 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.301 6.364 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.102 4.437 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.879 5.735 3.687 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.700 5.412 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.731 7.813 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.021 7.532 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.428 8.097 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.314 6.264 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.955 6.488 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.569 4.853 0.284 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.416 8.465 3.574 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.505 9.741 4.273 1.00 0.00 C ATOM 1750 C LYS A 119 -6.706 10.546 3.786 1.00 0.00 C ATOM 1751 O LYS A 119 -7.629 10.829 4.551 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.221 10.549 4.070 1.00 0.00 C ATOM 1753 CG LYS A 119 -2.966 9.818 4.515 1.00 0.00 C ATOM 1754 CD LYS A 119 -2.619 10.136 5.960 1.00 0.00 C ATOM 1755 CE LYS A 119 -3.722 9.693 6.909 1.00 0.00 C ATOM 1756 NZ LYS A 119 -3.274 9.715 8.329 1.00 0.00 N ATOM 0 H LYS A 119 -4.881 8.497 2.706 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.634 9.535 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.127 10.807 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.300 11.486 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.110 8.743 4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.133 10.097 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.686 9.641 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.453 11.208 6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.587 10.346 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.045 8.686 6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.054 9.407 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.465 9.073 8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.990 10.681 8.588 1.00 0.00 H new ATOM 1770 N THR A 120 -6.690 10.910 2.508 1.00 0.00 N ATOM 1771 CA THR A 120 -7.778 11.681 1.919 1.00 0.00 C ATOM 1772 C THR A 120 -7.886 11.424 0.420 1.00 0.00 C ATOM 1773 O THR A 120 -6.880 11.219 -0.258 1.00 0.00 O ATOM 1774 CB THR A 120 -7.588 13.191 2.156 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.216 13.549 1.962 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.024 13.577 3.562 1.00 0.00 C ATOM 0 H THR A 120 -5.935 10.683 1.860 1.00 0.00 H new ATOM 0 HA THR A 120 -8.696 11.356 2.408 1.00 0.00 H new ATOM 0 HB THR A 120 -8.208 13.729 1.439 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.104 14.511 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.881 14.648 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.077 13.330 3.697 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.427 13.030 4.291 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.113 11.436 -0.090 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.352 11.206 -1.509 1.00 0.00 C ATOM 1786 C ALA A 121 -10.055 12.399 -2.148 1.00 0.00 C ATOM 1787 O ALA A 121 -11.173 12.750 -1.770 1.00 0.00 O ATOM 1788 CB ALA A 121 -10.172 9.940 -1.708 1.00 0.00 C ATOM 0 H ALA A 121 -9.957 11.603 0.458 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.386 11.081 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.343 9.781 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.632 9.088 -1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -11.130 10.043 -1.198 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.392 13.021 -3.118 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.953 14.175 -3.810 1.00 0.00 C ATOM 1796 C VAL A 122 -9.524 14.202 -5.272 1.00 0.00 C ATOM 1797 O VAL A 122 -8.667 13.425 -5.693 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.528 15.494 -3.137 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.937 15.502 -1.672 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -8.029 15.706 -3.282 1.00 0.00 C ATOM 0 H VAL A 122 -8.465 12.745 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.037 14.080 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 122 -10.038 16.318 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.628 16.441 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.019 15.399 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.457 14.671 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.746 16.642 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.497 14.880 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.768 15.748 -4.339 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.125 15.101 -6.043 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.804 15.231 -7.460 1.00 0.00 C ATOM 1812 C ASP A 123 -8.641 16.196 -7.667 1.00 0.00 C ATOM 1813 O ASP A 123 -7.785 15.977 -8.525 1.00 0.00 O ATOM 1814 CB ASP A 123 -11.028 15.713 -8.240 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.912 15.440 -9.727 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -11.122 14.278 -10.134 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -10.609 16.387 -10.483 1.00 0.00 O ATOM 0 H ASP A 123 -10.837 15.751 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.509 14.250 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.920 15.221 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.159 16.783 -8.079 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.617 17.264 -6.877 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.560 18.264 -6.976 1.00 0.00 C ATOM 1824 C ARG A 124 -6.272 17.759 -6.332 1.00 0.00 C ATOM 1825 O ARG A 124 -6.288 16.936 -5.417 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.999 19.569 -6.308 1.00 0.00 C ATOM 1827 CG ARG A 124 -7.927 19.530 -4.790 1.00 0.00 C ATOM 1828 CD ARG A 124 -9.256 19.113 -4.179 1.00 0.00 C ATOM 1829 NE ARG A 124 -10.350 19.981 -4.605 1.00 0.00 N ATOM 1830 CZ ARG A 124 -11.556 19.970 -4.048 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -11.820 19.141 -3.048 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -12.500 20.791 -4.490 1.00 0.00 N ATOM 0 H ARG A 124 -9.317 17.459 -6.161 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.369 18.451 -8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.372 20.383 -6.672 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.022 19.795 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.148 18.833 -4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.644 20.513 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.478 18.084 -4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.178 19.135 -3.092 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.179 20.631 -5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.096 18.510 -2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.747 19.135 -2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -12.300 21.431 -5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -13.426 20.782 -4.062 1.00 0.00 H new