USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 848 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 70 ASN :FLIP amide:sc= 0.488 F(o=-1.7!,f=0.98) USER MOD Set 1.2: A 72 THR OG1 : rot -83:sc= 0.495 USER MOD Set 2.1: A 11 THR OG1 : rot -76:sc= 0.711 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0.642 USER MOD Single : A 13 GLN : amide:sc= -2.02 K(o=-2,f=-3.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.964 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -63:sc= 0.965 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -1.03 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.041 F(o=-3.1!,f=-0.041) USER MOD Single : A 41 MET CE :methyl 172:sc= 0 (180deg=-0.0817) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -85:sc= 1.41 USER MOD Single : A 58 THR OG1 : rot 98:sc= 0.28 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= -0.0322 (180deg=-0.0504) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -125:sc= 1.2 (180deg=-0.0795) USER MOD Single : A 78 SER OG : rot -118:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.416 USER MOD Single : A 88 ASN :FLIP amide:sc= -1.31 F(o=-5.2!,f=-1.3) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 100 THR OG1 : rot -71:sc= 1.5 USER MOD Single : A 106 CYS SG : rot -110:sc= -1.59 USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 10.830 -15.785 6.734 1.00 0.00 N ATOM 85 CA LEU A 6 10.966 -14.826 5.614 1.00 0.00 C ATOM 86 C LEU A 6 11.936 -15.375 4.552 1.00 0.00 C ATOM 87 O LEU A 6 12.965 -15.981 4.887 1.00 0.00 O ATOM 88 CB LEU A 6 11.459 -13.428 6.105 1.00 0.00 C ATOM 89 CG LEU A 6 10.682 -12.748 7.292 1.00 0.00 C ATOM 90 CD1 LEU A 6 9.152 -12.890 7.164 1.00 0.00 C ATOM 91 CD2 LEU A 6 11.204 -13.231 8.660 1.00 0.00 C ATOM 0 HA LEU A 6 9.977 -14.700 5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.503 -13.527 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.433 -12.747 5.255 1.00 0.00 H new ATOM 0 HG LEU A 6 10.886 -11.679 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.669 -12.402 8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.819 -12.422 6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.884 -13.947 7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.645 -12.741 9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.076 -14.311 8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.261 -12.984 8.754 1.00 0.00 H new ATOM 103 N ARG A 7 11.585 -15.151 3.280 1.00 0.00 N ATOM 104 CA ARG A 7 12.379 -15.579 2.105 1.00 0.00 C ATOM 105 C ARG A 7 12.847 -14.358 1.307 1.00 0.00 C ATOM 106 O ARG A 7 13.999 -14.273 0.864 1.00 0.00 O ATOM 107 CB ARG A 7 11.517 -16.448 1.155 1.00 0.00 C ATOM 108 CG ARG A 7 10.779 -17.616 1.817 1.00 0.00 C ATOM 109 CD ARG A 7 9.807 -18.303 0.843 1.00 0.00 C ATOM 110 NE ARG A 7 8.853 -17.339 0.241 1.00 0.00 N ATOM 111 CZ ARG A 7 7.561 -17.557 0.016 1.00 0.00 C ATOM 112 NH1 ARG A 7 6.986 -18.691 0.383 1.00 0.00 N ATOM 113 NH2 ARG A 7 6.845 -16.616 -0.588 1.00 0.00 N ATOM 0 H ARG A 7 10.728 -14.660 3.026 1.00 0.00 H new ATOM 0 HA ARG A 7 13.232 -16.148 2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.783 -15.805 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.161 -16.846 0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.504 -18.344 2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.228 -17.253 2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.373 -18.795 0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.254 -19.080 1.370 1.00 0.00 H new ATOM 0 HE ARG A 7 9.222 -16.426 -0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.535 -19.415 0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.993 -18.841 0.202 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.287 -15.742 -0.872 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.852 -16.767 -0.768 1.00 0.00 H new ATOM 127 N ASP A 8 11.902 -13.434 1.130 1.00 0.00 N ATOM 128 CA ASP A 8 11.976 -12.312 0.192 1.00 0.00 C ATOM 129 C ASP A 8 12.345 -11.011 0.917 1.00 0.00 C ATOM 130 O ASP A 8 12.635 -11.004 2.121 1.00 0.00 O ATOM 131 CB ASP A 8 10.596 -12.159 -0.519 1.00 0.00 C ATOM 132 CG ASP A 8 10.141 -13.457 -1.209 1.00 0.00 C ATOM 133 OD1 ASP A 8 10.729 -13.818 -2.259 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.218 -14.146 -0.698 1.00 0.00 O ATOM 0 H ASP A 8 11.029 -13.447 1.657 1.00 0.00 H new ATOM 0 HA ASP A 8 12.754 -12.513 -0.544 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.846 -11.858 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.659 -11.361 -1.259 1.00 0.00 H new ATOM 139 N ARG A 9 12.342 -9.913 0.148 1.00 0.00 N ATOM 140 CA ARG A 9 12.537 -8.548 0.643 1.00 0.00 C ATOM 141 C ARG A 9 11.447 -7.649 0.053 1.00 0.00 C ATOM 142 O ARG A 9 10.986 -7.881 -1.071 1.00 0.00 O ATOM 143 CB ARG A 9 13.949 -8.017 0.261 1.00 0.00 C ATOM 144 CG ARG A 9 15.098 -8.596 1.112 1.00 0.00 C ATOM 145 CD ARG A 9 16.483 -8.105 0.660 1.00 0.00 C ATOM 146 NE ARG A 9 16.892 -8.706 -0.628 1.00 0.00 N ATOM 147 CZ ARG A 9 17.417 -8.044 -1.672 1.00 0.00 C ATOM 148 NH1 ARG A 9 17.492 -6.722 -1.676 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.836 -8.714 -2.736 1.00 0.00 N ATOM 0 H ARG A 9 12.200 -9.954 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 9 12.467 -8.544 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.139 -8.246 -0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.954 -6.931 0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.944 -8.322 2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.069 -9.684 1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.469 -7.019 0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.221 -8.349 1.424 1.00 0.00 H new ATOM 0 HE ARG A 9 16.764 -9.713 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.148 -6.189 -0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.894 -6.236 -2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.759 -9.731 -2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.235 -8.213 -3.530 1.00 0.00 H new ATOM 163 N ILE A 10 11.039 -6.632 0.828 1.00 0.00 N ATOM 164 CA ILE A 10 10.025 -5.635 0.437 1.00 0.00 C ATOM 165 C ILE A 10 10.475 -4.245 0.905 1.00 0.00 C ATOM 166 O ILE A 10 11.066 -4.122 1.972 1.00 0.00 O ATOM 167 CB ILE A 10 8.613 -5.918 1.073 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.719 -5.970 2.645 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.966 -7.202 0.480 1.00 0.00 C ATOM 170 CD1 ILE A 10 7.438 -5.695 3.385 1.00 0.00 C ATOM 0 H ILE A 10 11.412 -6.475 1.764 1.00 0.00 H new ATOM 0 HA ILE A 10 9.932 -5.691 -0.648 1.00 0.00 H new ATOM 0 HB ILE A 10 7.948 -5.094 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.083 -6.955 2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.468 -5.246 2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.993 -7.366 0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.841 -7.083 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.610 -8.059 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.618 -5.755 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.079 -4.697 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.688 -6.433 3.101 1.00 0.00 H new ATOM 182 N THR A 11 10.164 -3.208 0.127 1.00 0.00 N ATOM 183 CA THR A 11 10.450 -1.819 0.473 1.00 0.00 C ATOM 184 C THR A 11 9.134 -1.107 0.812 1.00 0.00 C ATOM 185 O THR A 11 8.129 -1.316 0.129 1.00 0.00 O ATOM 186 CB THR A 11 11.157 -1.104 -0.718 1.00 0.00 C ATOM 187 OG1 THR A 11 12.161 -1.965 -1.276 1.00 0.00 O ATOM 188 CG2 THR A 11 11.817 0.208 -0.283 1.00 0.00 C ATOM 0 H THR A 11 9.699 -3.313 -0.775 1.00 0.00 H new ATOM 0 HA THR A 11 11.114 -1.787 1.337 1.00 0.00 H new ATOM 0 HB THR A 11 10.394 -0.876 -1.462 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.948 -1.972 -0.692 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.299 0.675 -1.142 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.059 0.881 0.119 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.563 0.003 0.484 1.00 0.00 H new ATOM 196 N ILE A 12 9.146 -0.285 1.867 1.00 0.00 N ATOM 197 CA ILE A 12 7.942 0.422 2.346 1.00 0.00 C ATOM 198 C ILE A 12 7.868 1.824 1.729 1.00 0.00 C ATOM 199 O ILE A 12 8.719 2.668 1.995 1.00 0.00 O ATOM 200 CB ILE A 12 7.918 0.521 3.915 1.00 0.00 C ATOM 201 CG1 ILE A 12 8.147 -0.881 4.557 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.596 1.167 4.436 1.00 0.00 C ATOM 203 CD1 ILE A 12 7.172 -1.960 4.125 1.00 0.00 C ATOM 0 H ILE A 12 9.984 -0.088 2.414 1.00 0.00 H new ATOM 0 HA ILE A 12 7.072 -0.154 2.032 1.00 0.00 H new ATOM 0 HB ILE A 12 8.736 1.176 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.158 -1.211 4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 12 8.093 -0.779 5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.620 1.217 5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.498 2.173 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.746 0.563 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.418 -2.895 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.158 -1.661 4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.239 -2.100 3.046 1.00 0.00 H new ATOM 215 N GLN A 13 6.850 2.049 0.890 1.00 0.00 N ATOM 216 CA GLN A 13 6.550 3.368 0.319 1.00 0.00 C ATOM 217 C GLN A 13 5.593 4.092 1.260 1.00 0.00 C ATOM 218 O GLN A 13 4.404 3.775 1.327 1.00 0.00 O ATOM 219 CB GLN A 13 5.952 3.267 -1.115 1.00 0.00 C ATOM 220 CG GLN A 13 6.941 2.739 -2.176 1.00 0.00 C ATOM 221 CD GLN A 13 7.343 1.279 -1.974 1.00 0.00 C ATOM 222 OE1 GLN A 13 6.534 0.451 -1.553 1.00 0.00 O ATOM 223 NE2 GLN A 13 8.605 0.962 -2.213 1.00 0.00 N ATOM 0 H GLN A 13 6.208 1.317 0.586 1.00 0.00 H new ATOM 0 HA GLN A 13 7.479 3.930 0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.081 2.612 -1.088 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.600 4.253 -1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.493 2.849 -3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.838 3.358 -2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.251 1.670 -2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.932 0.010 -2.049 1.00 0.00 H new ATOM 232 N THR A 14 6.158 5.037 1.999 1.00 0.00 N ATOM 233 CA THR A 14 5.423 5.848 2.971 1.00 0.00 C ATOM 234 C THR A 14 4.659 6.965 2.235 1.00 0.00 C ATOM 235 O THR A 14 5.000 7.301 1.091 1.00 0.00 O ATOM 236 CB THR A 14 6.399 6.446 4.034 1.00 0.00 C ATOM 237 OG1 THR A 14 7.433 7.196 3.391 1.00 0.00 O ATOM 238 CG2 THR A 14 7.052 5.353 4.898 1.00 0.00 C ATOM 0 H THR A 14 7.150 5.268 1.943 1.00 0.00 H new ATOM 0 HA THR A 14 4.705 5.218 3.496 1.00 0.00 H new ATOM 0 HB THR A 14 5.805 7.092 4.680 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.037 7.567 4.068 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.722 5.814 5.623 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.278 4.794 5.424 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.619 4.675 4.260 1.00 0.00 H new ATOM 246 N LEU A 15 3.616 7.522 2.877 1.00 0.00 N ATOM 247 CA LEU A 15 2.757 8.558 2.271 1.00 0.00 C ATOM 248 C LEU A 15 2.909 9.876 3.034 1.00 0.00 C ATOM 249 O LEU A 15 2.515 9.983 4.204 1.00 0.00 O ATOM 250 CB LEU A 15 1.277 8.103 2.281 1.00 0.00 C ATOM 251 CG LEU A 15 0.242 9.094 1.674 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.603 9.445 0.221 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.199 8.538 1.784 1.00 0.00 C ATOM 0 H LEU A 15 3.345 7.268 3.827 1.00 0.00 H new ATOM 0 HA LEU A 15 3.067 8.710 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.206 7.161 1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.990 7.899 3.312 1.00 0.00 H new ATOM 0 HG LEU A 15 0.279 10.016 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.136 10.139 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.589 9.909 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.612 8.537 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.899 9.253 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.266 7.593 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.447 8.376 2.833 1.00 0.00 H new ATOM 265 N LYS A 16 3.535 10.850 2.382 1.00 0.00 N ATOM 266 CA LYS A 16 3.607 12.235 2.853 1.00 0.00 C ATOM 267 C LYS A 16 2.468 13.048 2.223 1.00 0.00 C ATOM 268 O LYS A 16 2.515 13.389 1.032 1.00 0.00 O ATOM 269 CB LYS A 16 4.988 12.822 2.492 1.00 0.00 C ATOM 270 CG LYS A 16 5.250 14.285 2.926 1.00 0.00 C ATOM 271 CD LYS A 16 6.651 14.777 2.479 1.00 0.00 C ATOM 272 CE LYS A 16 6.851 14.693 0.949 1.00 0.00 C ATOM 273 NZ LYS A 16 8.228 15.050 0.532 1.00 0.00 N ATOM 0 H LYS A 16 4.016 10.700 1.495 1.00 0.00 H new ATOM 0 HA LYS A 16 3.491 12.275 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.755 12.190 2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.114 12.759 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.484 14.933 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.166 14.363 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.790 15.808 2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.417 14.180 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.624 13.681 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.142 15.359 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.307 14.977 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.439 16.025 0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.906 14.399 0.978 1.00 0.00 H new ATOM 287 N GLN A 17 1.422 13.281 3.022 1.00 0.00 N ATOM 288 CA GLN A 17 0.307 14.172 2.674 1.00 0.00 C ATOM 289 C GLN A 17 0.749 15.620 2.924 1.00 0.00 C ATOM 290 O GLN A 17 1.219 15.942 4.013 1.00 0.00 O ATOM 291 CB GLN A 17 -0.929 13.820 3.542 1.00 0.00 C ATOM 292 CG GLN A 17 -1.457 12.386 3.326 1.00 0.00 C ATOM 293 CD GLN A 17 -2.398 11.921 4.434 1.00 0.00 C ATOM 294 OE1 GLN A 17 -1.968 11.308 5.409 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.670 12.243 4.314 1.00 0.00 N ATOM 0 H GLN A 17 1.323 12.851 3.942 1.00 0.00 H new ATOM 0 HA GLN A 17 0.034 14.052 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.670 13.947 4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.728 14.528 3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.979 12.338 2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.612 11.700 3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.992 12.752 3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.333 11.983 5.044 1.00 0.00 H new ATOM 304 N THR A 18 0.634 16.465 1.905 1.00 0.00 N ATOM 305 CA THR A 18 1.049 17.879 1.952 1.00 0.00 C ATOM 306 C THR A 18 -0.029 18.731 1.272 1.00 0.00 C ATOM 307 O THR A 18 -0.734 18.236 0.402 1.00 0.00 O ATOM 308 CB THR A 18 2.435 18.055 1.238 1.00 0.00 C ATOM 309 OG1 THR A 18 3.408 17.208 1.880 1.00 0.00 O ATOM 310 CG2 THR A 18 2.953 19.508 1.247 1.00 0.00 C ATOM 0 H THR A 18 0.244 16.190 1.003 1.00 0.00 H new ATOM 0 HA THR A 18 1.162 18.203 2.987 1.00 0.00 H new ATOM 0 HB THR A 18 2.288 17.776 0.194 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.276 17.313 1.437 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.915 19.555 0.736 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.239 20.152 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.072 19.845 2.277 1.00 0.00 H new ATOM 318 N ARG A 19 -0.185 19.985 1.696 1.00 0.00 N ATOM 319 CA ARG A 19 -1.145 20.914 1.082 1.00 0.00 C ATOM 320 C ARG A 19 -0.419 21.852 0.095 1.00 0.00 C ATOM 321 O ARG A 19 0.808 21.944 0.109 1.00 0.00 O ATOM 322 CB ARG A 19 -1.893 21.695 2.193 1.00 0.00 C ATOM 323 CG ARG A 19 -3.136 22.482 1.708 1.00 0.00 C ATOM 324 CD ARG A 19 -3.973 23.060 2.855 1.00 0.00 C ATOM 325 NE ARG A 19 -3.235 24.065 3.657 1.00 0.00 N ATOM 326 CZ ARG A 19 -3.000 23.998 4.980 1.00 0.00 C ATOM 327 NH1 ARG A 19 -3.394 22.945 5.687 1.00 0.00 N ATOM 328 NH2 ARG A 19 -2.353 24.992 5.578 1.00 0.00 N ATOM 0 H ARG A 19 0.345 20.387 2.469 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.887 20.358 0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.204 20.992 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.197 22.393 2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.812 23.295 1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.762 21.823 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.873 23.519 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.297 22.249 3.507 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.873 24.880 3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.881 22.175 5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.210 22.906 6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.039 25.796 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.170 24.951 6.581 1.00 0.00 H new ATOM 342 N ASP A 20 -1.196 22.552 -0.742 1.00 0.00 N ATOM 343 CA ASP A 20 -0.698 23.524 -1.733 1.00 0.00 C ATOM 344 C ASP A 20 -1.115 24.939 -1.286 1.00 0.00 C ATOM 345 O ASP A 20 -2.023 25.086 -0.461 1.00 0.00 O ATOM 346 CB ASP A 20 -1.266 23.158 -3.134 1.00 0.00 C ATOM 347 CG ASP A 20 -1.051 24.225 -4.227 1.00 0.00 C ATOM 348 OD1 ASP A 20 0.023 24.242 -4.870 1.00 0.00 O ATOM 349 OD2 ASP A 20 -1.953 25.064 -4.424 1.00 0.00 O ATOM 0 H ASP A 20 -2.212 22.458 -0.752 1.00 0.00 H new ATOM 0 HA ASP A 20 0.390 23.498 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.807 22.226 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.335 22.970 -3.037 1.00 0.00 H new ATOM 354 N ILE A 21 -0.459 25.966 -1.859 1.00 0.00 N ATOM 355 CA ILE A 21 -0.659 27.398 -1.523 1.00 0.00 C ATOM 356 C ILE A 21 -2.125 27.900 -1.744 1.00 0.00 C ATOM 357 O ILE A 21 -2.494 28.969 -1.244 1.00 0.00 O ATOM 358 CB ILE A 21 0.351 28.277 -2.359 1.00 0.00 C ATOM 359 CG1 ILE A 21 0.432 29.757 -1.828 1.00 0.00 C ATOM 360 CG2 ILE A 21 0.011 28.228 -3.880 1.00 0.00 C ATOM 361 CD1 ILE A 21 1.391 30.664 -2.594 1.00 0.00 C ATOM 0 H ILE A 21 0.242 25.825 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.466 27.502 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 21 1.343 27.845 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.565 30.195 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.734 29.736 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.723 28.842 -4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.070 27.198 -4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.998 28.609 -4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.378 31.661 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.400 30.256 -2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.081 30.723 -3.637 1.00 0.00 H new ATOM 373 N THR A 22 -2.978 27.107 -2.436 1.00 0.00 N ATOM 374 CA THR A 22 -4.378 27.491 -2.733 1.00 0.00 C ATOM 375 C THR A 22 -5.305 26.548 -1.937 1.00 0.00 C ATOM 376 O THR A 22 -6.385 26.941 -1.470 1.00 0.00 O ATOM 377 CB THR A 22 -4.705 27.397 -4.268 1.00 0.00 C ATOM 378 OG1 THR A 22 -4.609 26.031 -4.712 1.00 0.00 O ATOM 379 CG2 THR A 22 -3.762 28.278 -5.121 1.00 0.00 C ATOM 0 H THR A 22 -2.717 26.191 -2.801 1.00 0.00 H new ATOM 0 HA THR A 22 -4.530 28.530 -2.442 1.00 0.00 H new ATOM 0 HB THR A 22 -5.722 27.765 -4.402 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.687 25.717 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.026 28.180 -6.174 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.863 29.320 -4.817 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.731 27.956 -4.974 1.00 0.00 H new ATOM 387 N GLY A 23 -4.844 25.282 -1.802 1.00 0.00 N ATOM 388 CA GLY A 23 -5.469 24.299 -0.915 1.00 0.00 C ATOM 389 C GLY A 23 -5.764 22.977 -1.585 1.00 0.00 C ATOM 390 O GLY A 23 -6.874 22.445 -1.457 1.00 0.00 O ATOM 0 H GLY A 23 -4.032 24.925 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.814 24.125 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.398 24.714 -0.525 1.00 0.00 H new ATOM 394 N GLU A 24 -4.776 22.433 -2.299 1.00 0.00 N ATOM 395 CA GLU A 24 -4.836 21.068 -2.865 1.00 0.00 C ATOM 396 C GLU A 24 -4.131 20.091 -1.909 1.00 0.00 C ATOM 397 O GLU A 24 -3.242 20.508 -1.171 1.00 0.00 O ATOM 398 CB GLU A 24 -4.116 21.034 -4.243 1.00 0.00 C ATOM 399 CG GLU A 24 -4.589 22.091 -5.257 1.00 0.00 C ATOM 400 CD GLU A 24 -6.084 21.985 -5.590 1.00 0.00 C ATOM 401 OE1 GLU A 24 -6.469 21.056 -6.329 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.879 22.828 -5.122 1.00 0.00 O ATOM 0 H GLU A 24 -3.905 22.922 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.879 20.780 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.046 21.164 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.253 20.046 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.382 23.085 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.011 21.988 -6.175 1.00 0.00 H new ATOM 409 N ILE A 25 -4.500 18.797 -1.930 1.00 0.00 N ATOM 410 CA ILE A 25 -3.828 17.771 -1.104 1.00 0.00 C ATOM 411 C ILE A 25 -2.953 16.875 -2.008 1.00 0.00 C ATOM 412 O ILE A 25 -3.461 16.014 -2.738 1.00 0.00 O ATOM 413 CB ILE A 25 -4.850 16.907 -0.273 1.00 0.00 C ATOM 414 CG1 ILE A 25 -5.719 17.824 0.651 1.00 0.00 C ATOM 415 CG2 ILE A 25 -4.122 15.804 0.557 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.937 18.651 1.660 1.00 0.00 C ATOM 0 H ILE A 25 -5.258 18.435 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.196 18.283 -0.378 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.512 16.402 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.300 18.500 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.431 17.199 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.857 15.227 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.578 15.142 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.423 16.272 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.628 19.252 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.377 17.987 2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.244 19.308 1.133 1.00 0.00 H new ATOM 428 N LEU A 26 -1.641 17.127 -1.965 1.00 0.00 N ATOM 429 CA LEU A 26 -0.623 16.365 -2.695 1.00 0.00 C ATOM 430 C LEU A 26 -0.215 15.146 -1.861 1.00 0.00 C ATOM 431 O LEU A 26 0.516 15.275 -0.867 1.00 0.00 O ATOM 432 CB LEU A 26 0.634 17.243 -3.002 1.00 0.00 C ATOM 433 CG LEU A 26 0.453 18.432 -4.004 1.00 0.00 C ATOM 434 CD1 LEU A 26 -0.431 19.563 -3.429 1.00 0.00 C ATOM 435 CD2 LEU A 26 1.829 18.973 -4.451 1.00 0.00 C ATOM 0 H LEU A 26 -1.248 17.885 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.046 16.044 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.000 17.649 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.415 16.590 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.072 18.043 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.524 20.362 -4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.420 19.169 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.027 19.957 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.686 19.799 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.382 19.324 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.391 18.178 -4.941 1.00 0.00 H new ATOM 447 N GLU A 27 -0.748 13.978 -2.233 1.00 0.00 N ATOM 448 CA GLU A 27 -0.352 12.696 -1.658 1.00 0.00 C ATOM 449 C GLU A 27 0.832 12.139 -2.452 1.00 0.00 C ATOM 450 O GLU A 27 0.677 11.704 -3.594 1.00 0.00 O ATOM 451 CB GLU A 27 -1.540 11.709 -1.658 1.00 0.00 C ATOM 452 CG GLU A 27 -2.643 12.069 -0.656 1.00 0.00 C ATOM 453 CD GLU A 27 -3.704 10.965 -0.495 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.376 10.603 -1.488 1.00 0.00 O ATOM 455 OE2 GLU A 27 -3.879 10.456 0.636 1.00 0.00 O ATOM 0 H GLU A 27 -1.472 13.899 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.049 12.838 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.969 11.672 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.170 10.709 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.190 12.272 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.132 12.988 -0.979 1.00 0.00 H new ATOM 462 N THR A 28 2.018 12.178 -1.837 1.00 0.00 N ATOM 463 CA THR A 28 3.284 11.766 -2.475 1.00 0.00 C ATOM 464 C THR A 28 3.871 10.555 -1.751 1.00 0.00 C ATOM 465 O THR A 28 3.780 10.447 -0.522 1.00 0.00 O ATOM 466 CB THR A 28 4.319 12.937 -2.489 1.00 0.00 C ATOM 467 OG1 THR A 28 4.433 13.511 -1.173 1.00 0.00 O ATOM 468 CG2 THR A 28 3.918 14.025 -3.512 1.00 0.00 C ATOM 0 H THR A 28 2.133 12.498 -0.875 1.00 0.00 H new ATOM 0 HA THR A 28 3.067 11.494 -3.508 1.00 0.00 H new ATOM 0 HB THR A 28 5.286 12.532 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.085 14.243 -1.191 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.657 14.826 -3.499 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.874 13.588 -4.510 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.940 14.429 -3.249 1.00 0.00 H new ATOM 476 N TRP A 29 4.498 9.667 -2.527 1.00 0.00 N ATOM 477 CA TRP A 29 5.012 8.374 -2.052 1.00 0.00 C ATOM 478 C TRP A 29 6.541 8.368 -2.146 1.00 0.00 C ATOM 479 O TRP A 29 7.103 8.431 -3.250 1.00 0.00 O ATOM 480 CB TRP A 29 4.421 7.217 -2.896 1.00 0.00 C ATOM 481 CG TRP A 29 2.920 7.142 -2.855 1.00 0.00 C ATOM 482 CD1 TRP A 29 2.041 7.701 -3.740 1.00 0.00 C ATOM 483 CD2 TRP A 29 2.128 6.474 -1.869 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.754 7.397 -3.379 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.780 6.647 -2.232 1.00 0.00 C ATOM 486 CE3 TRP A 29 2.432 5.736 -0.721 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.263 6.112 -1.486 1.00 0.00 C ATOM 488 CZ3 TRP A 29 1.395 5.211 0.022 1.00 0.00 C ATOM 489 CH2 TRP A 29 0.060 5.395 -0.366 1.00 0.00 C ATOM 0 H TRP A 29 4.667 9.826 -3.520 1.00 0.00 H new ATOM 0 HA TRP A 29 4.714 8.230 -1.014 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.742 7.334 -3.931 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.833 6.273 -2.540 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.320 8.295 -4.598 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.086 7.682 -3.882 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.458 5.580 -0.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.292 6.257 -1.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.615 4.649 0.918 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.729 4.962 0.231 1.00 0.00 H new ATOM 500 N GLU A 30 7.211 8.319 -0.987 1.00 0.00 N ATOM 501 CA GLU A 30 8.677 8.206 -0.922 1.00 0.00 C ATOM 502 C GLU A 30 9.065 6.765 -0.571 1.00 0.00 C ATOM 503 O GLU A 30 8.599 6.200 0.432 1.00 0.00 O ATOM 504 CB GLU A 30 9.339 9.244 0.040 1.00 0.00 C ATOM 505 CG GLU A 30 8.710 9.400 1.440 1.00 0.00 C ATOM 506 CD GLU A 30 7.402 10.211 1.441 1.00 0.00 C ATOM 507 OE1 GLU A 30 7.428 11.366 0.980 1.00 0.00 O ATOM 508 OE2 GLU A 30 6.364 9.712 1.911 1.00 0.00 O ATOM 0 H GLU A 30 6.758 8.356 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 30 9.070 8.451 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.386 8.968 0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.323 10.218 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.515 8.411 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.429 9.885 2.100 1.00 0.00 H new ATOM 515 N ASP A 31 9.892 6.182 -1.460 1.00 0.00 N ATOM 516 CA ASP A 31 10.447 4.822 -1.341 1.00 0.00 C ATOM 517 C ASP A 31 11.308 4.731 -0.065 1.00 0.00 C ATOM 518 O ASP A 31 12.182 5.576 0.148 1.00 0.00 O ATOM 519 CB ASP A 31 11.283 4.523 -2.617 1.00 0.00 C ATOM 520 CG ASP A 31 11.901 3.120 -2.649 1.00 0.00 C ATOM 521 OD1 ASP A 31 11.180 2.158 -2.954 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.113 2.977 -2.377 1.00 0.00 O ATOM 0 H ASP A 31 10.201 6.660 -2.306 1.00 0.00 H new ATOM 0 HA ASP A 31 9.652 4.080 -1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.646 4.647 -3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.081 5.261 -2.696 1.00 0.00 H new ATOM 527 N GLY A 32 11.061 3.717 0.780 1.00 0.00 N ATOM 528 CA GLY A 32 11.592 3.701 2.152 1.00 0.00 C ATOM 529 C GLY A 32 12.563 2.567 2.432 1.00 0.00 C ATOM 530 O GLY A 32 13.541 2.377 1.701 1.00 0.00 O ATOM 0 H GLY A 32 10.499 2.901 0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.093 4.649 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.759 3.631 2.851 1.00 0.00 H new ATOM 534 N HIS A 33 12.270 1.800 3.495 1.00 0.00 N ATOM 535 CA HIS A 33 13.192 0.802 4.069 1.00 0.00 C ATOM 536 C HIS A 33 12.815 -0.608 3.613 1.00 0.00 C ATOM 537 O HIS A 33 11.635 -0.975 3.627 1.00 0.00 O ATOM 538 CB HIS A 33 13.186 0.913 5.615 1.00 0.00 C ATOM 539 CG HIS A 33 13.692 2.240 6.115 1.00 0.00 C ATOM 540 ND1 HIS A 33 12.867 3.298 6.431 1.00 0.00 N ATOM 541 CD2 HIS A 33 14.956 2.687 6.315 1.00 0.00 C ATOM 542 CE1 HIS A 33 13.598 4.330 6.808 1.00 0.00 C ATOM 543 NE2 HIS A 33 14.865 3.986 6.745 1.00 0.00 N ATOM 0 H HIS A 33 11.378 1.855 3.986 1.00 0.00 H new ATOM 0 HA HIS A 33 14.202 1.003 3.711 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.171 0.757 5.980 1.00 0.00 H new ATOM 0 HB3 HIS A 33 13.801 0.116 6.033 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.866 2.125 6.164 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.220 5.293 7.116 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.654 4.589 6.979 1.00 0.00 H new ATOM 552 N THR A 34 13.828 -1.390 3.211 1.00 0.00 N ATOM 553 CA THR A 34 13.640 -2.740 2.676 1.00 0.00 C ATOM 554 C THR A 34 13.904 -3.807 3.767 1.00 0.00 C ATOM 555 O THR A 34 15.056 -4.028 4.158 1.00 0.00 O ATOM 556 CB THR A 34 14.570 -2.964 1.434 1.00 0.00 C ATOM 557 OG1 THR A 34 14.439 -1.852 0.532 1.00 0.00 O ATOM 558 CG2 THR A 34 14.230 -4.259 0.679 1.00 0.00 C ATOM 0 H THR A 34 14.805 -1.099 3.250 1.00 0.00 H new ATOM 0 HA THR A 34 12.604 -2.845 2.354 1.00 0.00 H new ATOM 0 HB THR A 34 15.592 -3.047 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.021 -1.990 -0.244 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.901 -4.370 -0.173 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.348 -5.112 1.348 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.200 -4.215 0.326 1.00 0.00 H new ATOM 566 N LEU A 35 12.822 -4.432 4.288 1.00 0.00 N ATOM 567 CA LEU A 35 12.910 -5.491 5.326 1.00 0.00 C ATOM 568 C LEU A 35 12.563 -6.875 4.757 1.00 0.00 C ATOM 569 O LEU A 35 12.104 -7.010 3.617 1.00 0.00 O ATOM 570 CB LEU A 35 11.989 -5.191 6.556 1.00 0.00 C ATOM 571 CG LEU A 35 10.451 -5.031 6.276 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.605 -5.390 7.518 1.00 0.00 C ATOM 573 CD2 LEU A 35 10.111 -3.606 5.790 1.00 0.00 C ATOM 0 H LEU A 35 11.866 -4.219 4.003 1.00 0.00 H new ATOM 0 HA LEU A 35 13.947 -5.495 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.119 -5.995 7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.344 -4.275 7.029 1.00 0.00 H new ATOM 0 HG LEU A 35 10.200 -5.733 5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.547 -5.267 7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.796 -6.425 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.874 -4.732 8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.039 -3.530 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.400 -2.883 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.653 -3.397 4.868 1.00 0.00 H new ATOM 585 N TRP A 36 12.812 -7.895 5.589 1.00 0.00 N ATOM 586 CA TRP A 36 12.545 -9.304 5.270 1.00 0.00 C ATOM 587 C TRP A 36 11.023 -9.602 5.268 1.00 0.00 C ATOM 588 O TRP A 36 10.315 -9.295 6.243 1.00 0.00 O ATOM 589 CB TRP A 36 13.272 -10.221 6.289 1.00 0.00 C ATOM 590 CG TRP A 36 14.695 -9.793 6.612 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.161 -9.340 7.813 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.818 -9.754 5.717 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.491 -9.028 7.724 1.00 0.00 N ATOM 594 CE2 TRP A 36 16.920 -9.269 6.452 1.00 0.00 C ATOM 595 CE3 TRP A 36 16.002 -10.077 4.376 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.181 -9.101 5.884 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.254 -9.914 3.820 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.328 -9.427 4.569 1.00 0.00 C ATOM 0 H TRP A 36 13.211 -7.762 6.518 1.00 0.00 H new ATOM 0 HA TRP A 36 12.925 -9.506 4.269 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.694 -10.247 7.213 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.291 -11.238 5.896 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.564 -9.242 8.708 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.068 -8.673 8.486 1.00 0.00 H new ATOM 0 HE3 TRP A 36 15.180 -10.448 3.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.011 -8.726 6.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.407 -10.169 2.782 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.292 -9.307 4.097 1.00 0.00 H new ATOM 609 N ALA A 37 10.547 -10.197 4.166 1.00 0.00 N ATOM 610 CA ALA A 37 9.142 -10.624 3.990 1.00 0.00 C ATOM 611 C ALA A 37 9.063 -11.991 3.307 1.00 0.00 C ATOM 612 O ALA A 37 10.082 -12.577 3.000 1.00 0.00 O ATOM 613 CB ALA A 37 8.385 -9.586 3.163 1.00 0.00 C ATOM 0 H ALA A 37 11.132 -10.401 3.356 1.00 0.00 H new ATOM 0 HA ALA A 37 8.685 -10.709 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.351 -9.906 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.408 -8.625 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.856 -9.486 2.185 1.00 0.00 H new ATOM 619 N SER A 38 7.843 -12.526 3.157 1.00 0.00 N ATOM 620 CA SER A 38 7.535 -13.621 2.230 1.00 0.00 C ATOM 621 C SER A 38 6.217 -13.297 1.514 1.00 0.00 C ATOM 622 O SER A 38 5.141 -13.306 2.131 1.00 0.00 O ATOM 623 CB SER A 38 7.428 -14.972 2.970 1.00 0.00 C ATOM 624 OG SER A 38 8.672 -15.357 3.512 1.00 0.00 O ATOM 0 H SER A 38 7.031 -12.204 3.685 1.00 0.00 H new ATOM 0 HA SER A 38 8.343 -13.714 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.689 -14.895 3.768 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.075 -15.740 2.281 1.00 0.00 H new ATOM 0 HG SER A 38 8.575 -16.215 3.976 1.00 0.00 H new ATOM 630 N VAL A 39 6.314 -13.002 0.213 1.00 0.00 N ATOM 631 CA VAL A 39 5.162 -12.630 -0.620 1.00 0.00 C ATOM 632 C VAL A 39 4.478 -13.894 -1.197 1.00 0.00 C ATOM 633 O VAL A 39 5.031 -14.588 -2.054 1.00 0.00 O ATOM 634 CB VAL A 39 5.586 -11.623 -1.766 1.00 0.00 C ATOM 635 CG1 VAL A 39 6.829 -12.113 -2.560 1.00 0.00 C ATOM 636 CG2 VAL A 39 4.398 -11.322 -2.712 1.00 0.00 C ATOM 0 H VAL A 39 7.198 -13.014 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 39 4.437 -12.115 0.010 1.00 0.00 H new ATOM 0 HB VAL A 39 5.875 -10.693 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.077 -11.386 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.674 -12.223 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.609 -13.075 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.718 -10.628 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.055 -12.249 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.583 -10.877 -2.142 1.00 0.00 H new ATOM 646 N ASN A 40 3.300 -14.230 -0.642 1.00 0.00 N ATOM 647 CA ASN A 40 2.433 -15.306 -1.142 1.00 0.00 C ATOM 648 C ASN A 40 1.132 -14.699 -1.703 1.00 0.00 C ATOM 649 O ASN A 40 0.264 -14.276 -0.936 1.00 0.00 O ATOM 650 CB ASN A 40 2.068 -16.308 -0.004 1.00 0.00 C ATOM 651 CG ASN A 40 3.241 -17.066 0.635 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.349 -16.389 0.919 1.00 0.00 O flip ATOM 653 ND2 ASN A 40 3.124 -18.253 0.942 1.00 0.00 N flip ATOM 0 H ASN A 40 2.921 -13.754 0.177 1.00 0.00 H new ATOM 0 HA ASN A 40 2.973 -15.841 -1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.546 -15.760 0.781 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.365 -17.039 -0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.266 -18.756 0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.885 -18.733 1.423 1.00 0.00 H new ATOM 660 N MET A 41 1.005 -14.628 -3.036 1.00 0.00 N ATOM 661 CA MET A 41 -0.280 -14.284 -3.681 1.00 0.00 C ATOM 662 C MET A 41 -1.277 -15.420 -3.407 1.00 0.00 C ATOM 663 O MET A 41 -0.938 -16.597 -3.581 1.00 0.00 O ATOM 664 CB MET A 41 -0.114 -14.069 -5.209 1.00 0.00 C ATOM 665 CG MET A 41 0.869 -12.950 -5.582 1.00 0.00 C ATOM 666 SD MET A 41 1.053 -12.711 -7.369 1.00 0.00 S ATOM 667 CE MET A 41 -0.547 -12.047 -7.842 1.00 0.00 C ATOM 0 H MET A 41 1.769 -14.802 -3.689 1.00 0.00 H new ATOM 0 HA MET A 41 -0.648 -13.346 -3.265 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.225 -15.001 -5.661 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.088 -13.841 -5.641 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.531 -12.016 -5.132 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.845 -13.177 -5.152 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.514 -11.726 -8.883 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.310 -12.816 -7.723 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.789 -11.195 -7.207 1.00 0.00 H new ATOM 677 N VAL A 42 -2.481 -15.070 -2.943 1.00 0.00 N ATOM 678 CA VAL A 42 -3.482 -16.060 -2.515 1.00 0.00 C ATOM 679 C VAL A 42 -4.075 -16.798 -3.732 1.00 0.00 C ATOM 680 O VAL A 42 -4.247 -16.216 -4.807 1.00 0.00 O ATOM 681 CB VAL A 42 -4.622 -15.408 -1.648 1.00 0.00 C ATOM 682 CG1 VAL A 42 -4.029 -14.661 -0.428 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.533 -14.490 -2.485 1.00 0.00 C ATOM 0 H VAL A 42 -2.790 -14.102 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.970 -16.786 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.250 -16.217 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.836 -14.219 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.474 -15.363 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.359 -13.874 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.305 -14.062 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.938 -13.688 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.001 -15.070 -3.281 1.00 0.00 H new ATOM 693 N SER A 43 -4.326 -18.092 -3.551 1.00 0.00 N ATOM 694 CA SER A 43 -4.943 -18.958 -4.562 1.00 0.00 C ATOM 695 C SER A 43 -6.452 -19.113 -4.290 1.00 0.00 C ATOM 696 O SER A 43 -7.013 -18.422 -3.414 1.00 0.00 O ATOM 697 CB SER A 43 -4.203 -20.315 -4.580 1.00 0.00 C ATOM 698 OG SER A 43 -2.840 -20.126 -4.911 1.00 0.00 O ATOM 0 H SER A 43 -4.104 -18.580 -2.684 1.00 0.00 H new ATOM 0 HA SER A 43 -4.850 -18.508 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.284 -20.794 -3.605 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.671 -20.983 -5.303 1.00 0.00 H new ATOM 0 HG SER A 43 -2.382 -20.992 -4.917 1.00 0.00 H new ATOM 704 N SER A 44 -7.093 -20.005 -5.071 1.00 0.00 N ATOM 705 CA SER A 44 -8.533 -20.301 -4.982 1.00 0.00 C ATOM 706 C SER A 44 -8.980 -20.682 -3.552 1.00 0.00 C ATOM 707 O SER A 44 -10.109 -20.391 -3.178 1.00 0.00 O ATOM 708 CB SER A 44 -8.884 -21.432 -5.971 1.00 0.00 C ATOM 709 OG SER A 44 -8.473 -21.117 -7.296 1.00 0.00 O ATOM 0 H SER A 44 -6.616 -20.547 -5.791 1.00 0.00 H new ATOM 0 HA SER A 44 -9.072 -19.391 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.405 -22.357 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.960 -21.609 -5.956 1.00 0.00 H new ATOM 0 HG SER A 44 -8.709 -21.855 -7.896 1.00 0.00 H new ATOM 715 N LYS A 45 -8.061 -21.295 -2.762 1.00 0.00 N ATOM 716 CA LYS A 45 -8.333 -21.728 -1.367 1.00 0.00 C ATOM 717 C LYS A 45 -8.963 -20.602 -0.524 1.00 0.00 C ATOM 718 O LYS A 45 -10.013 -20.795 0.085 1.00 0.00 O ATOM 719 CB LYS A 45 -7.019 -22.225 -0.689 1.00 0.00 C ATOM 720 CG LYS A 45 -7.149 -22.580 0.817 1.00 0.00 C ATOM 721 CD LYS A 45 -8.172 -23.715 1.089 1.00 0.00 C ATOM 722 CE LYS A 45 -8.518 -23.867 2.585 1.00 0.00 C ATOM 723 NZ LYS A 45 -7.350 -24.268 3.423 1.00 0.00 N ATOM 0 H LYS A 45 -7.112 -21.503 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.051 -22.547 -1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.663 -23.105 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.257 -21.454 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.173 -22.879 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.448 -21.689 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.085 -23.516 0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.769 -24.657 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.916 -22.923 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.307 -24.611 2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.648 -24.353 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.983 -25.183 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.604 -23.548 3.346 1.00 0.00 H new ATOM 737 N GLU A 46 -8.324 -19.427 -0.546 1.00 0.00 N ATOM 738 CA GLU A 46 -8.728 -18.283 0.286 1.00 0.00 C ATOM 739 C GLU A 46 -10.094 -17.729 -0.139 1.00 0.00 C ATOM 740 O GLU A 46 -10.928 -17.409 0.711 1.00 0.00 O ATOM 741 CB GLU A 46 -7.637 -17.192 0.217 1.00 0.00 C ATOM 742 CG GLU A 46 -6.255 -17.665 0.713 1.00 0.00 C ATOM 743 CD GLU A 46 -6.298 -18.283 2.118 1.00 0.00 C ATOM 744 OE1 GLU A 46 -6.577 -17.548 3.084 1.00 0.00 O ATOM 745 OE2 GLU A 46 -6.050 -19.497 2.266 1.00 0.00 O ATOM 0 H GLU A 46 -7.515 -19.240 -1.138 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.833 -18.620 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.545 -16.847 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.954 -16.336 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.856 -18.398 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.568 -16.819 0.716 1.00 0.00 H new ATOM 752 N ALA A 47 -10.316 -17.666 -1.460 1.00 0.00 N ATOM 753 CA ALA A 47 -11.566 -17.154 -2.046 1.00 0.00 C ATOM 754 C ALA A 47 -12.757 -18.070 -1.679 1.00 0.00 C ATOM 755 O ALA A 47 -13.787 -17.596 -1.199 1.00 0.00 O ATOM 756 CB ALA A 47 -11.404 -17.024 -3.569 1.00 0.00 C ATOM 0 H ALA A 47 -9.633 -17.969 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.779 -16.167 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.330 -16.645 -4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.590 -16.334 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.177 -18.001 -3.995 1.00 0.00 H new ATOM 762 N ILE A 48 -12.571 -19.388 -1.878 1.00 0.00 N ATOM 763 CA ILE A 48 -13.605 -20.418 -1.610 1.00 0.00 C ATOM 764 C ILE A 48 -13.914 -20.527 -0.101 1.00 0.00 C ATOM 765 O ILE A 48 -15.081 -20.596 0.295 1.00 0.00 O ATOM 766 CB ILE A 48 -13.165 -21.825 -2.178 1.00 0.00 C ATOM 767 CG1 ILE A 48 -12.883 -21.747 -3.715 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.225 -22.925 -1.887 1.00 0.00 C ATOM 769 CD1 ILE A 48 -12.229 -22.992 -4.304 1.00 0.00 C ATOM 0 H ILE A 48 -11.696 -19.776 -2.231 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.514 -20.105 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.244 -22.100 -1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.824 -21.566 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.241 -20.888 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.883 -23.877 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.364 -23.020 -0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.172 -22.650 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -12.071 -22.849 -5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.270 -23.165 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.878 -23.853 -4.145 1.00 0.00 H new ATOM 781 N SER A 49 -12.860 -20.494 0.723 1.00 0.00 N ATOM 782 CA SER A 49 -12.973 -20.646 2.187 1.00 0.00 C ATOM 783 C SER A 49 -13.674 -19.426 2.828 1.00 0.00 C ATOM 784 O SER A 49 -14.338 -19.562 3.863 1.00 0.00 O ATOM 785 CB SER A 49 -11.576 -20.867 2.805 1.00 0.00 C ATOM 786 OG SER A 49 -11.659 -21.160 4.189 1.00 0.00 O ATOM 0 H SER A 49 -11.902 -20.361 0.398 1.00 0.00 H new ATOM 0 HA SER A 49 -13.590 -21.521 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.074 -21.685 2.289 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.967 -19.975 2.657 1.00 0.00 H new ATOM 0 HG SER A 49 -10.758 -21.296 4.549 1.00 0.00 H new ATOM 792 N SER A 50 -13.508 -18.241 2.207 1.00 0.00 N ATOM 793 CA SER A 50 -14.185 -16.994 2.634 1.00 0.00 C ATOM 794 C SER A 50 -15.528 -16.803 1.887 1.00 0.00 C ATOM 795 O SER A 50 -16.293 -15.887 2.204 1.00 0.00 O ATOM 796 CB SER A 50 -13.263 -15.784 2.366 1.00 0.00 C ATOM 797 OG SER A 50 -13.075 -15.594 0.973 1.00 0.00 O ATOM 0 H SER A 50 -12.902 -18.119 1.396 1.00 0.00 H new ATOM 0 HA SER A 50 -14.396 -17.068 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.697 -14.886 2.805 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.299 -15.941 2.850 1.00 0.00 H new ATOM 0 HG SER A 50 -12.348 -16.171 0.659 1.00 0.00 H new ATOM 803 N GLY A 51 -15.776 -17.648 0.863 1.00 0.00 N ATOM 804 CA GLY A 51 -16.994 -17.579 0.047 1.00 0.00 C ATOM 805 C GLY A 51 -16.845 -16.577 -1.093 1.00 0.00 C ATOM 806 O GLY A 51 -16.698 -16.966 -2.260 1.00 0.00 O ATOM 0 H GLY A 51 -15.136 -18.392 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.217 -18.565 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.839 -17.295 0.675 1.00 0.00 H new ATOM 810 N ALA A 52 -16.850 -15.282 -0.739 1.00 0.00 N ATOM 811 CA ALA A 52 -16.660 -14.171 -1.693 1.00 0.00 C ATOM 812 C ALA A 52 -16.046 -12.946 -0.993 1.00 0.00 C ATOM 813 O ALA A 52 -15.985 -11.854 -1.579 1.00 0.00 O ATOM 814 CB ALA A 52 -18.010 -13.811 -2.344 1.00 0.00 C ATOM 0 H ALA A 52 -16.987 -14.971 0.223 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.966 -14.489 -2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.867 -12.991 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.402 -14.679 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -18.717 -13.508 -1.572 1.00 0.00 H new ATOM 820 N GLU A 53 -15.592 -13.129 0.261 1.00 0.00 N ATOM 821 CA GLU A 53 -15.007 -12.042 1.068 1.00 0.00 C ATOM 822 C GLU A 53 -13.558 -11.761 0.648 1.00 0.00 C ATOM 823 O GLU A 53 -13.086 -10.628 0.756 1.00 0.00 O ATOM 824 CB GLU A 53 -15.094 -12.384 2.578 1.00 0.00 C ATOM 825 CG GLU A 53 -16.534 -12.618 3.077 1.00 0.00 C ATOM 826 CD GLU A 53 -16.615 -12.920 4.580 1.00 0.00 C ATOM 827 OE1 GLU A 53 -16.289 -14.058 4.982 1.00 0.00 O ATOM 828 OE2 GLU A 53 -16.968 -12.014 5.371 1.00 0.00 O ATOM 0 H GLU A 53 -15.620 -14.029 0.741 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.583 -11.134 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.501 -13.277 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.647 -11.572 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.135 -11.735 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.973 -13.448 2.523 1.00 0.00 H new ATOM 835 N LEU A 54 -12.865 -12.812 0.185 1.00 0.00 N ATOM 836 CA LEU A 54 -11.530 -12.714 -0.431 1.00 0.00 C ATOM 837 C LEU A 54 -11.632 -13.076 -1.924 1.00 0.00 C ATOM 838 O LEU A 54 -12.676 -13.565 -2.393 1.00 0.00 O ATOM 839 CB LEU A 54 -10.508 -13.645 0.291 1.00 0.00 C ATOM 840 CG LEU A 54 -10.292 -13.378 1.818 1.00 0.00 C ATOM 841 CD1 LEU A 54 -9.260 -14.364 2.403 1.00 0.00 C ATOM 842 CD2 LEU A 54 -9.883 -11.910 2.093 1.00 0.00 C ATOM 0 H LEU A 54 -13.219 -13.767 0.228 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.169 -11.691 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.836 -14.677 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.546 -13.554 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.245 -13.544 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.125 -14.161 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.617 -15.385 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.308 -14.243 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.743 -11.766 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.952 -11.688 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.666 -11.241 1.736 1.00 0.00 H new ATOM 854 N ALA A 55 -10.535 -12.835 -2.650 1.00 0.00 N ATOM 855 CA ALA A 55 -10.440 -13.084 -4.099 1.00 0.00 C ATOM 856 C ALA A 55 -9.023 -13.548 -4.451 1.00 0.00 C ATOM 857 O ALA A 55 -8.059 -13.156 -3.783 1.00 0.00 O ATOM 858 CB ALA A 55 -10.812 -11.810 -4.883 1.00 0.00 C ATOM 0 H ALA A 55 -9.677 -12.458 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.142 -13.870 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.738 -12.006 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.833 -11.517 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.129 -11.005 -4.614 1.00 0.00 H new ATOM 864 N ILE A 56 -8.916 -14.385 -5.502 1.00 0.00 N ATOM 865 CA ILE A 56 -7.626 -14.919 -5.994 1.00 0.00 C ATOM 866 C ILE A 56 -6.727 -13.770 -6.501 1.00 0.00 C ATOM 867 O ILE A 56 -7.224 -12.775 -7.044 1.00 0.00 O ATOM 868 CB ILE A 56 -7.838 -15.963 -7.165 1.00 0.00 C ATOM 869 CG1 ILE A 56 -8.907 -17.030 -6.783 1.00 0.00 C ATOM 870 CG2 ILE A 56 -6.501 -16.653 -7.569 1.00 0.00 C ATOM 871 CD1 ILE A 56 -9.266 -18.000 -7.908 1.00 0.00 C ATOM 0 H ILE A 56 -9.722 -14.711 -6.036 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.145 -15.425 -5.157 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.202 -15.406 -8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.542 -17.602 -5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.813 -16.518 -6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.687 -17.363 -8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.790 -15.899 -7.906 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.090 -17.181 -6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.016 -18.707 -7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.664 -17.443 -8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.374 -18.544 -8.218 1.00 0.00 H new ATOM 883 N GLY A 57 -5.411 -13.904 -6.288 1.00 0.00 N ATOM 884 CA GLY A 57 -4.420 -12.939 -6.773 1.00 0.00 C ATOM 885 C GLY A 57 -4.100 -11.851 -5.760 1.00 0.00 C ATOM 886 O GLY A 57 -3.120 -11.125 -5.936 1.00 0.00 O ATOM 0 H GLY A 57 -5.005 -14.686 -5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.503 -13.468 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.789 -12.477 -7.689 1.00 0.00 H new ATOM 890 N THR A 58 -4.915 -11.755 -4.689 1.00 0.00 N ATOM 891 CA THR A 58 -4.681 -10.817 -3.579 1.00 0.00 C ATOM 892 C THR A 58 -3.332 -11.142 -2.912 1.00 0.00 C ATOM 893 O THR A 58 -3.132 -12.233 -2.377 1.00 0.00 O ATOM 894 CB THR A 58 -5.846 -10.863 -2.539 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.051 -10.365 -3.148 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.541 -10.076 -1.250 1.00 0.00 C ATOM 0 H THR A 58 -5.752 -12.326 -4.572 1.00 0.00 H new ATOM 0 HA THR A 58 -4.648 -9.803 -3.977 1.00 0.00 H new ATOM 0 HB THR A 58 -5.971 -11.904 -2.243 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.601 -11.118 -3.448 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.390 -10.148 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.655 -10.493 -0.770 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.362 -9.030 -1.496 1.00 0.00 H new ATOM 904 N VAL A 59 -2.418 -10.189 -2.989 1.00 0.00 N ATOM 905 CA VAL A 59 -1.036 -10.364 -2.576 1.00 0.00 C ATOM 906 C VAL A 59 -0.912 -10.320 -1.044 1.00 0.00 C ATOM 907 O VAL A 59 -0.988 -9.254 -0.439 1.00 0.00 O ATOM 908 CB VAL A 59 -0.136 -9.265 -3.226 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.342 -9.491 -2.864 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.356 -9.208 -4.762 1.00 0.00 C ATOM 0 H VAL A 59 -2.620 -9.255 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.698 -11.343 -2.916 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.426 -8.295 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.953 -8.715 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.462 -9.450 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.660 -10.468 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.281 -8.436 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.104 -10.173 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.400 -8.975 -4.972 1.00 0.00 H new ATOM 920 N ARG A 60 -0.752 -11.493 -0.430 1.00 0.00 N ATOM 921 CA ARG A 60 -0.524 -11.615 1.017 1.00 0.00 C ATOM 922 C ARG A 60 0.998 -11.640 1.276 1.00 0.00 C ATOM 923 O ARG A 60 1.737 -12.290 0.553 1.00 0.00 O ATOM 924 CB ARG A 60 -1.229 -12.888 1.534 1.00 0.00 C ATOM 925 CG ARG A 60 -1.178 -13.095 3.058 1.00 0.00 C ATOM 926 CD ARG A 60 -2.046 -14.284 3.499 1.00 0.00 C ATOM 927 NE ARG A 60 -3.466 -14.100 3.128 1.00 0.00 N ATOM 928 CZ ARG A 60 -4.424 -15.023 3.249 1.00 0.00 C ATOM 929 NH1 ARG A 60 -4.173 -16.212 3.786 1.00 0.00 N ATOM 930 NH2 ARG A 60 -5.648 -14.749 2.824 1.00 0.00 N ATOM 0 H ARG A 60 -0.776 -12.388 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.943 -10.766 1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.273 -12.857 1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.778 -13.755 1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.147 -13.262 3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.519 -12.189 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.667 -15.199 3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.967 -14.410 4.579 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.736 -13.193 2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.234 -16.435 4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.920 -16.902 3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.852 -13.840 2.409 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.387 -15.447 2.912 1.00 0.00 H new ATOM 944 N ILE A 61 1.450 -10.919 2.307 1.00 0.00 N ATOM 945 CA ILE A 61 2.878 -10.620 2.538 1.00 0.00 C ATOM 946 C ILE A 61 3.162 -10.693 4.053 1.00 0.00 C ATOM 947 O ILE A 61 2.706 -9.845 4.809 1.00 0.00 O ATOM 948 CB ILE A 61 3.265 -9.187 1.973 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.983 -9.108 0.434 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.746 -8.841 2.282 1.00 0.00 C ATOM 951 CD1 ILE A 61 3.146 -7.741 -0.198 1.00 0.00 C ATOM 0 H ILE A 61 0.834 -10.520 3.015 1.00 0.00 H new ATOM 0 HA ILE A 61 3.485 -11.355 2.009 1.00 0.00 H new ATOM 0 HB ILE A 61 2.641 -8.448 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.650 -9.804 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.965 -9.452 0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.980 -7.854 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.903 -8.842 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.397 -9.583 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.926 -7.804 -1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.459 -7.038 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.170 -7.396 -0.059 1.00 0.00 H new ATOM 963 N TRP A 62 3.895 -11.730 4.472 1.00 0.00 N ATOM 964 CA TRP A 62 4.237 -11.964 5.895 1.00 0.00 C ATOM 965 C TRP A 62 5.592 -11.315 6.212 1.00 0.00 C ATOM 966 O TRP A 62 6.579 -11.627 5.566 1.00 0.00 O ATOM 967 CB TRP A 62 4.286 -13.493 6.191 1.00 0.00 C ATOM 968 CG TRP A 62 2.948 -14.211 6.174 1.00 0.00 C ATOM 969 CD1 TRP A 62 1.848 -13.939 5.404 1.00 0.00 C ATOM 970 CD2 TRP A 62 2.603 -15.361 6.955 1.00 0.00 C ATOM 971 NE1 TRP A 62 0.840 -14.827 5.693 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.285 -15.715 6.634 1.00 0.00 C ATOM 973 CE3 TRP A 62 3.290 -16.114 7.901 1.00 0.00 C ATOM 974 CZ2 TRP A 62 0.639 -16.792 7.240 1.00 0.00 C ATOM 975 CZ3 TRP A 62 2.655 -17.187 8.493 1.00 0.00 C ATOM 976 CH2 TRP A 62 1.339 -17.519 8.162 1.00 0.00 C ATOM 0 H TRP A 62 4.272 -12.436 3.840 1.00 0.00 H new ATOM 0 HA TRP A 62 3.471 -11.515 6.527 1.00 0.00 H new ATOM 0 HB2 TRP A 62 4.940 -13.965 5.458 1.00 0.00 H new ATOM 0 HB3 TRP A 62 4.744 -13.640 7.169 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.783 -13.143 4.677 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.090 -14.825 5.274 1.00 0.00 H new ATOM 0 HE3 TRP A 62 4.306 -15.863 8.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.381 -17.044 6.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.184 -17.780 9.224 1.00 0.00 H new ATOM 0 HH2 TRP A 62 0.867 -18.363 8.642 1.00 0.00 H new ATOM 987 N ILE A 63 5.633 -10.430 7.218 1.00 0.00 N ATOM 988 CA ILE A 63 6.842 -9.649 7.576 1.00 0.00 C ATOM 989 C ILE A 63 7.113 -9.756 9.076 1.00 0.00 C ATOM 990 O ILE A 63 6.262 -10.227 9.814 1.00 0.00 O ATOM 991 CB ILE A 63 6.691 -8.124 7.213 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.540 -7.443 8.018 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.466 -7.943 5.706 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.517 -5.933 7.921 1.00 0.00 C ATOM 0 H ILE A 63 4.829 -10.230 7.813 1.00 0.00 H new ATOM 0 HA ILE A 63 7.668 -10.068 7.002 1.00 0.00 H new ATOM 0 HB ILE A 63 7.624 -7.634 7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.586 -7.832 7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.630 -7.726 9.067 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.364 -6.882 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.316 -8.352 5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.558 -8.467 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.686 -5.543 8.510 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.454 -5.529 8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.394 -5.637 6.879 1.00 0.00 H new ATOM 1006 N ARG A 64 8.312 -9.321 9.501 1.00 0.00 N ATOM 1007 CA ARG A 64 8.624 -9.070 10.936 1.00 0.00 C ATOM 1008 C ARG A 64 7.587 -8.121 11.583 1.00 0.00 C ATOM 1009 O ARG A 64 7.011 -7.268 10.899 1.00 0.00 O ATOM 1010 CB ARG A 64 10.035 -8.440 11.098 1.00 0.00 C ATOM 1011 CG ARG A 64 11.184 -9.250 10.462 1.00 0.00 C ATOM 1012 CD ARG A 64 11.337 -10.671 11.048 1.00 0.00 C ATOM 1013 NE ARG A 64 11.474 -10.687 12.516 1.00 0.00 N ATOM 1014 CZ ARG A 64 12.630 -10.756 13.201 1.00 0.00 C ATOM 1015 NH1 ARG A 64 13.804 -10.675 12.585 1.00 0.00 N ATOM 1016 NH2 ARG A 64 12.595 -10.878 14.519 1.00 0.00 N ATOM 0 H ARG A 64 9.093 -9.132 8.872 1.00 0.00 H new ATOM 0 HA ARG A 64 8.591 -10.037 11.437 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.025 -7.443 10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.242 -8.316 12.161 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.013 -9.325 9.388 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.119 -8.707 10.599 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.470 -11.268 10.765 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.211 -11.147 10.604 1.00 0.00 H new ATOM 0 HE ARG A 64 10.614 -10.642 13.062 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.842 -10.558 11.572 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.668 -10.730 13.125 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.698 -10.919 15.004 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.465 -10.931 15.050 1.00 0.00 H new ATOM 1030 N TYR A 65 7.378 -8.278 12.899 1.00 0.00 N ATOM 1031 CA TYR A 65 6.513 -7.387 13.692 1.00 0.00 C ATOM 1032 C TYR A 65 7.070 -5.955 13.617 1.00 0.00 C ATOM 1033 O TYR A 65 8.126 -5.669 14.188 1.00 0.00 O ATOM 1034 CB TYR A 65 6.429 -7.878 15.161 1.00 0.00 C ATOM 1035 CG TYR A 65 5.455 -7.083 16.058 1.00 0.00 C ATOM 1036 CD1 TYR A 65 4.115 -7.457 16.157 1.00 0.00 C ATOM 1037 CD2 TYR A 65 5.868 -5.961 16.798 1.00 0.00 C ATOM 1038 CE1 TYR A 65 3.236 -6.765 16.962 1.00 0.00 C ATOM 1039 CE2 TYR A 65 4.989 -5.276 17.608 1.00 0.00 C ATOM 1040 CZ TYR A 65 3.672 -5.671 17.679 1.00 0.00 C ATOM 1041 OH TYR A 65 2.796 -4.993 18.493 1.00 0.00 O ATOM 0 H TYR A 65 7.804 -9.027 13.445 1.00 0.00 H new ATOM 0 HA TYR A 65 5.502 -7.398 13.285 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.128 -8.926 15.162 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.425 -7.832 15.601 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.759 -8.306 15.592 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.894 -5.630 16.730 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.205 -7.080 17.031 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.332 -4.431 18.186 1.00 0.00 H new ATOM 0 HH TYR A 65 3.263 -4.249 18.928 1.00 0.00 H new ATOM 1051 N ARG A 66 6.373 -5.076 12.880 1.00 0.00 N ATOM 1052 CA ARG A 66 6.829 -3.701 12.632 1.00 0.00 C ATOM 1053 C ARG A 66 5.691 -2.720 12.959 1.00 0.00 C ATOM 1054 O ARG A 66 4.622 -2.762 12.341 1.00 0.00 O ATOM 1055 CB ARG A 66 7.312 -3.552 11.157 1.00 0.00 C ATOM 1056 CG ARG A 66 8.093 -2.247 10.859 1.00 0.00 C ATOM 1057 CD ARG A 66 8.590 -2.176 9.404 1.00 0.00 C ATOM 1058 NE ARG A 66 9.445 -0.995 9.156 1.00 0.00 N ATOM 1059 CZ ARG A 66 9.140 0.052 8.370 1.00 0.00 C ATOM 1060 NH1 ARG A 66 7.943 0.164 7.804 1.00 0.00 N ATOM 1061 NH2 ARG A 66 10.043 1.005 8.181 1.00 0.00 N ATOM 0 H ARG A 66 5.480 -5.299 12.441 1.00 0.00 H new ATOM 0 HA ARG A 66 7.676 -3.470 13.278 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.946 -4.403 10.909 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.444 -3.598 10.499 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.452 -1.389 11.063 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.945 -2.175 11.535 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.150 -3.082 9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.733 -2.148 8.731 1.00 0.00 H new ATOM 0 HE ARG A 66 10.350 -0.973 9.625 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.235 -0.553 7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.732 0.967 7.211 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.957 0.938 8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.824 1.805 7.587 1.00 0.00 H new ATOM 1075 N LYS A 67 5.950 -1.827 13.933 1.00 0.00 N ATOM 1076 CA LYS A 67 4.978 -0.839 14.459 1.00 0.00 C ATOM 1077 C LYS A 67 4.758 0.344 13.486 1.00 0.00 C ATOM 1078 O LYS A 67 3.931 1.226 13.753 1.00 0.00 O ATOM 1079 CB LYS A 67 5.494 -0.301 15.823 1.00 0.00 C ATOM 1080 CG LYS A 67 5.711 -1.384 16.902 1.00 0.00 C ATOM 1081 CD LYS A 67 6.267 -0.797 18.220 1.00 0.00 C ATOM 1082 CE LYS A 67 6.368 -1.848 19.344 1.00 0.00 C ATOM 1083 NZ LYS A 67 7.301 -2.955 19.010 1.00 0.00 N ATOM 0 H LYS A 67 6.860 -1.768 14.389 1.00 0.00 H new ATOM 0 HA LYS A 67 4.019 -1.343 14.579 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.435 0.223 15.659 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.782 0.433 16.202 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.766 -1.889 17.102 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.401 -2.138 16.523 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.254 -0.372 18.036 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.624 0.020 18.549 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.700 -1.362 20.262 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.378 -2.259 19.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.293 -3.659 19.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.001 -3.406 18.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.263 -2.576 18.898 1.00 0.00 H new ATOM 1097 N ASP A 68 5.495 0.351 12.364 1.00 0.00 N ATOM 1098 CA ASP A 68 5.515 1.471 11.397 1.00 0.00 C ATOM 1099 C ASP A 68 4.489 1.259 10.272 1.00 0.00 C ATOM 1100 O ASP A 68 4.076 2.222 9.624 1.00 0.00 O ATOM 1101 CB ASP A 68 6.933 1.588 10.776 1.00 0.00 C ATOM 1102 CG ASP A 68 8.051 1.769 11.814 1.00 0.00 C ATOM 1103 OD1 ASP A 68 8.405 0.781 12.494 1.00 0.00 O ATOM 1104 OD2 ASP A 68 8.585 2.890 11.964 1.00 0.00 O ATOM 0 H ASP A 68 6.100 -0.425 12.096 1.00 0.00 H new ATOM 0 HA ASP A 68 5.256 2.385 11.931 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.137 0.693 10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.949 2.433 10.087 1.00 0.00 H new ATOM 1109 N ILE A 69 4.076 -0.002 10.055 1.00 0.00 N ATOM 1110 CA ILE A 69 3.198 -0.369 8.928 1.00 0.00 C ATOM 1111 C ILE A 69 1.764 0.134 9.174 1.00 0.00 C ATOM 1112 O ILE A 69 1.207 -0.060 10.258 1.00 0.00 O ATOM 1113 CB ILE A 69 3.168 -1.919 8.672 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.613 -2.483 8.522 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.307 -2.249 7.414 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.370 -2.004 7.295 1.00 0.00 C ATOM 0 H ILE A 69 4.338 -0.789 10.649 1.00 0.00 H new ATOM 0 HA ILE A 69 3.612 0.110 8.041 1.00 0.00 H new ATOM 0 HB ILE A 69 2.708 -2.401 9.535 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.185 -2.214 9.410 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.560 -3.571 8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.298 -3.327 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.287 -1.896 7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.734 -1.755 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.363 -2.453 7.282 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.828 -2.297 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.463 -0.918 7.325 1.00 0.00 H new ATOM 1128 N ASN A 70 1.194 0.777 8.152 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.179 1.296 8.172 1.00 0.00 C ATOM 1130 C ASN A 70 -0.786 1.103 6.767 1.00 0.00 C ATOM 1131 O ASN A 70 -0.042 0.915 5.802 1.00 0.00 O ATOM 1132 CB ASN A 70 -0.172 2.793 8.588 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.532 3.286 9.085 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -2.350 3.814 8.190 1.00 0.00 O flip ATOM 1135 ND2 ASN A 70 -1.845 3.182 10.268 1.00 0.00 N flip ATOM 0 H ASN A 70 1.680 0.955 7.273 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.785 0.758 8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.570 2.942 9.372 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.138 3.399 7.736 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.192 2.770 10.934 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.758 3.508 10.584 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.128 1.160 6.662 1.00 0.00 N ATOM 1143 CA ALA A 71 -2.852 0.981 5.382 1.00 0.00 C ATOM 1144 C ALA A 71 -2.460 2.054 4.344 1.00 0.00 C ATOM 1145 O ALA A 71 -2.467 1.806 3.139 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.366 1.001 5.634 1.00 0.00 C ATOM 0 H ALA A 71 -2.742 1.331 7.458 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.568 0.014 4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.894 0.869 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.632 0.192 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.649 1.956 6.077 1.00 0.00 H new ATOM 1152 N THR A 72 -2.054 3.229 4.855 1.00 0.00 N ATOM 1153 CA THR A 72 -1.617 4.378 4.043 1.00 0.00 C ATOM 1154 C THR A 72 -0.160 4.221 3.534 1.00 0.00 C ATOM 1155 O THR A 72 0.445 5.188 3.078 1.00 0.00 O ATOM 1156 CB THR A 72 -1.768 5.693 4.881 1.00 0.00 C ATOM 1157 OG1 THR A 72 -1.096 5.530 6.150 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.249 6.056 5.123 1.00 0.00 C ATOM 0 H THR A 72 -2.020 3.410 5.858 1.00 0.00 H new ATOM 0 HA THR A 72 -2.254 4.427 3.160 1.00 0.00 H new ATOM 0 HB THR A 72 -1.316 6.507 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.687 5.060 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.308 6.974 5.708 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.749 6.203 4.166 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.738 5.248 5.667 1.00 0.00 H new ATOM 1166 N SER A 73 0.397 3.005 3.620 1.00 0.00 N ATOM 1167 CA SER A 73 1.709 2.671 3.047 1.00 0.00 C ATOM 1168 C SER A 73 1.511 1.703 1.868 1.00 0.00 C ATOM 1169 O SER A 73 0.409 1.175 1.662 1.00 0.00 O ATOM 1170 CB SER A 73 2.600 2.044 4.140 1.00 0.00 C ATOM 1171 OG SER A 73 2.643 2.876 5.295 1.00 0.00 O ATOM 0 H SER A 73 -0.053 2.220 4.092 1.00 0.00 H new ATOM 0 HA SER A 73 2.203 3.570 2.678 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.216 1.060 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.609 1.898 3.754 1.00 0.00 H new ATOM 0 HG SER A 73 3.211 2.460 5.977 1.00 0.00 H new ATOM 1177 N ARG A 74 2.570 1.499 1.078 1.00 0.00 N ATOM 1178 CA ARG A 74 2.601 0.478 0.016 1.00 0.00 C ATOM 1179 C ARG A 74 3.771 -0.464 0.277 1.00 0.00 C ATOM 1180 O ARG A 74 4.781 -0.072 0.870 1.00 0.00 O ATOM 1181 CB ARG A 74 2.735 1.108 -1.392 1.00 0.00 C ATOM 1182 CG ARG A 74 1.642 2.138 -1.736 1.00 0.00 C ATOM 1183 CD ARG A 74 1.762 2.697 -3.167 1.00 0.00 C ATOM 1184 NE ARG A 74 3.117 3.201 -3.488 1.00 0.00 N ATOM 1185 CZ ARG A 74 3.413 4.005 -4.513 1.00 0.00 C ATOM 1186 NH1 ARG A 74 2.459 4.538 -5.264 1.00 0.00 N ATOM 1187 NH2 ARG A 74 4.673 4.316 -4.753 1.00 0.00 N ATOM 0 H ARG A 74 3.434 2.036 1.154 1.00 0.00 H new ATOM 0 HA ARG A 74 1.658 -0.068 0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.709 1.591 -1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.714 0.312 -2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.663 1.673 -1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.693 2.963 -1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.495 1.916 -3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.042 3.505 -3.295 1.00 0.00 H new ATOM 0 HE ARG A 74 3.883 2.912 -2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.479 4.336 -5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.705 5.150 -6.042 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.413 3.943 -4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.907 4.929 -5.534 1.00 0.00 H new ATOM 1201 N ILE A 75 3.605 -1.708 -0.153 1.00 0.00 N ATOM 1202 CA ILE A 75 4.590 -2.773 -0.001 1.00 0.00 C ATOM 1203 C ILE A 75 5.121 -3.171 -1.397 1.00 0.00 C ATOM 1204 O ILE A 75 4.449 -3.889 -2.127 1.00 0.00 O ATOM 1205 CB ILE A 75 3.930 -4.030 0.695 1.00 0.00 C ATOM 1206 CG1 ILE A 75 3.106 -3.640 1.975 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.997 -5.082 1.022 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.905 -3.043 3.119 1.00 0.00 C ATOM 0 H ILE A 75 2.757 -2.014 -0.631 1.00 0.00 H new ATOM 0 HA ILE A 75 5.412 -2.419 0.621 1.00 0.00 H new ATOM 0 HB ILE A 75 3.221 -4.460 -0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.335 -2.926 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.595 -4.531 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.527 -5.941 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.486 -5.402 0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.738 -4.652 1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.236 -2.812 3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.658 -3.758 3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.395 -2.129 2.783 1.00 0.00 H new ATOM 1220 N LYS A 76 6.304 -2.675 -1.781 1.00 0.00 N ATOM 1221 CA LYS A 76 6.938 -3.036 -3.065 1.00 0.00 C ATOM 1222 C LYS A 76 7.821 -4.271 -2.888 1.00 0.00 C ATOM 1223 O LYS A 76 8.769 -4.230 -2.120 1.00 0.00 O ATOM 1224 CB LYS A 76 7.805 -1.868 -3.589 1.00 0.00 C ATOM 1225 CG LYS A 76 8.483 -2.123 -4.954 1.00 0.00 C ATOM 1226 CD LYS A 76 9.457 -0.999 -5.358 1.00 0.00 C ATOM 1227 CE LYS A 76 10.660 -0.876 -4.403 1.00 0.00 C ATOM 1228 NZ LYS A 76 11.626 0.146 -4.848 1.00 0.00 N ATOM 0 H LYS A 76 6.848 -2.019 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 76 6.148 -3.250 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.180 -0.979 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.577 -1.648 -2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.023 -3.069 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.716 -2.226 -5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.820 -1.185 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.920 -0.051 -5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.304 -0.625 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.163 -1.840 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.570 -0.282 -4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.333 0.521 -5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.656 0.920 -4.155 1.00 0.00 H new ATOM 1242 N VAL A 77 7.533 -5.350 -3.615 1.00 0.00 N ATOM 1243 CA VAL A 77 8.341 -6.580 -3.558 1.00 0.00 C ATOM 1244 C VAL A 77 9.642 -6.390 -4.359 1.00 0.00 C ATOM 1245 O VAL A 77 9.613 -6.081 -5.550 1.00 0.00 O ATOM 1246 CB VAL A 77 7.513 -7.814 -4.067 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.389 -9.081 -4.251 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.337 -8.100 -3.099 1.00 0.00 C ATOM 0 H VAL A 77 6.742 -5.402 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 77 8.612 -6.783 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 77 7.118 -7.558 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.768 -9.904 -4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.173 -8.879 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.842 -9.351 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.769 -8.957 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.728 -8.317 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.686 -7.227 -3.050 1.00 0.00 H new ATOM 1258 N SER A 78 10.775 -6.530 -3.656 1.00 0.00 N ATOM 1259 CA SER A 78 12.124 -6.379 -4.219 1.00 0.00 C ATOM 1260 C SER A 78 12.615 -7.686 -4.867 1.00 0.00 C ATOM 1261 O SER A 78 13.392 -7.657 -5.826 1.00 0.00 O ATOM 1262 CB SER A 78 13.094 -5.944 -3.096 1.00 0.00 C ATOM 1263 OG SER A 78 12.652 -4.752 -2.461 1.00 0.00 O ATOM 0 H SER A 78 10.779 -6.756 -2.661 1.00 0.00 H new ATOM 0 HA SER A 78 12.092 -5.619 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.179 -6.741 -2.358 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.089 -5.788 -3.513 1.00 0.00 H new ATOM 0 HG SER A 78 13.317 -4.044 -2.594 1.00 0.00 H new ATOM 1269 N THR A 79 12.144 -8.833 -4.336 1.00 0.00 N ATOM 1270 CA THR A 79 12.580 -10.176 -4.763 1.00 0.00 C ATOM 1271 C THR A 79 11.376 -11.126 -4.778 1.00 0.00 C ATOM 1272 O THR A 79 10.666 -11.223 -3.775 1.00 0.00 O ATOM 1273 CB THR A 79 13.679 -10.763 -3.807 1.00 0.00 C ATOM 1274 OG1 THR A 79 13.222 -10.710 -2.445 1.00 0.00 O ATOM 1275 CG2 THR A 79 15.022 -10.026 -3.924 1.00 0.00 C ATOM 0 H THR A 79 11.445 -8.852 -3.593 1.00 0.00 H new ATOM 0 HA THR A 79 13.008 -10.083 -5.761 1.00 0.00 H new ATOM 0 HB THR A 79 13.846 -11.796 -4.112 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.911 -11.079 -1.854 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.744 -10.474 -3.241 1.00 0.00 H new ATOM 0 HG22 THR A 79 15.392 -10.105 -4.946 1.00 0.00 H new ATOM 0 HG23 THR A 79 14.884 -8.975 -3.668 1.00 0.00 H new ATOM 1283 N GLY A 80 11.143 -11.807 -5.912 1.00 0.00 N ATOM 1284 CA GLY A 80 10.081 -12.819 -6.013 1.00 0.00 C ATOM 1285 C GLY A 80 9.313 -12.764 -7.326 1.00 0.00 C ATOM 1286 O GLY A 80 9.827 -12.230 -8.319 1.00 0.00 O ATOM 0 H GLY A 80 11.676 -11.674 -6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.522 -13.809 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.383 -12.685 -5.187 1.00 0.00 H new ATOM 1290 N PRO A 81 8.054 -13.314 -7.363 1.00 0.00 N ATOM 1291 CA PRO A 81 7.192 -13.299 -8.577 1.00 0.00 C ATOM 1292 C PRO A 81 6.643 -11.888 -8.894 1.00 0.00 C ATOM 1293 O PRO A 81 6.104 -11.652 -9.982 1.00 0.00 O ATOM 1294 CB PRO A 81 6.049 -14.275 -8.202 1.00 0.00 C ATOM 1295 CG PRO A 81 5.953 -14.172 -6.705 1.00 0.00 C ATOM 1296 CD PRO A 81 7.378 -14.001 -6.223 1.00 0.00 C ATOM 0 HA PRO A 81 7.735 -13.586 -9.477 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.111 -13.994 -8.682 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.275 -15.293 -8.518 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.333 -13.326 -6.408 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.498 -15.066 -6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.424 -13.405 -5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.844 -14.961 -6.000 1.00 0.00 H new ATOM 1304 N LEU A 82 6.771 -10.966 -7.920 1.00 0.00 N ATOM 1305 CA LEU A 82 6.310 -9.573 -8.045 1.00 0.00 C ATOM 1306 C LEU A 82 7.494 -8.603 -7.859 1.00 0.00 C ATOM 1307 O LEU A 82 7.303 -7.447 -7.456 1.00 0.00 O ATOM 1308 CB LEU A 82 5.209 -9.299 -6.990 1.00 0.00 C ATOM 1309 CG LEU A 82 3.989 -10.271 -7.006 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.012 -9.923 -5.883 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.276 -10.277 -8.378 1.00 0.00 C ATOM 0 H LEU A 82 7.201 -11.171 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 82 5.894 -9.416 -9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.665 -9.336 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.841 -8.283 -7.134 1.00 0.00 H new ATOM 0 HG LEU A 82 4.368 -11.279 -6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.167 -10.611 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.518 -10.007 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.653 -8.903 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.432 -10.967 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.916 -9.274 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.976 -10.595 -9.150 1.00 0.00 H new ATOM 1323 N ALA A 83 8.714 -9.088 -8.157 1.00 0.00 N ATOM 1324 CA ALA A 83 9.950 -8.285 -8.070 1.00 0.00 C ATOM 1325 C ALA A 83 9.893 -7.095 -9.052 1.00 0.00 C ATOM 1326 O ALA A 83 9.886 -7.294 -10.278 1.00 0.00 O ATOM 1327 CB ALA A 83 11.172 -9.176 -8.345 1.00 0.00 C ATOM 0 H ALA A 83 8.871 -10.048 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 83 10.041 -7.878 -7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.081 -8.578 -8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.211 -9.978 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.092 -9.606 -9.344 1.00 0.00 H new ATOM 1333 N GLY A 84 9.824 -5.871 -8.498 1.00 0.00 N ATOM 1334 CA GLY A 84 9.728 -4.638 -9.287 1.00 0.00 C ATOM 1335 C GLY A 84 8.313 -4.065 -9.337 1.00 0.00 C ATOM 1336 O GLY A 84 8.075 -3.058 -10.014 1.00 0.00 O ATOM 0 H GLY A 84 9.834 -5.713 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.401 -3.891 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.069 -4.837 -10.303 1.00 0.00 H new ATOM 1340 N ARG A 85 7.363 -4.713 -8.626 1.00 0.00 N ATOM 1341 CA ARG A 85 5.962 -4.258 -8.531 1.00 0.00 C ATOM 1342 C ARG A 85 5.717 -3.644 -7.149 1.00 0.00 C ATOM 1343 O ARG A 85 6.201 -4.180 -6.150 1.00 0.00 O ATOM 1344 CB ARG A 85 4.967 -5.429 -8.769 1.00 0.00 C ATOM 1345 CG ARG A 85 5.177 -6.188 -10.097 1.00 0.00 C ATOM 1346 CD ARG A 85 4.073 -7.226 -10.375 1.00 0.00 C ATOM 1347 NE ARG A 85 4.462 -8.158 -11.453 1.00 0.00 N ATOM 1348 CZ ARG A 85 3.733 -9.188 -11.906 1.00 0.00 C ATOM 1349 NH1 ARG A 85 2.488 -9.375 -11.500 1.00 0.00 N ATOM 1350 NH2 ARG A 85 4.254 -10.005 -12.810 1.00 0.00 N ATOM 0 H ARG A 85 7.549 -5.568 -8.102 1.00 0.00 H new ATOM 0 HA ARG A 85 5.793 -3.510 -9.306 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.053 -6.136 -7.944 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.951 -5.036 -8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.210 -5.472 -10.918 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.144 -6.691 -10.073 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.864 -7.788 -9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.152 -6.713 -10.651 1.00 0.00 H new ATOM 0 HE ARG A 85 5.369 -8.004 -11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.067 -8.730 -10.831 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.949 -10.164 -11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.201 -9.847 -13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.708 -10.792 -13.161 1.00 0.00 H new ATOM 1364 N VAL A 86 4.958 -2.528 -7.098 1.00 0.00 N ATOM 1365 CA VAL A 86 4.600 -1.854 -5.836 1.00 0.00 C ATOM 1366 C VAL A 86 3.125 -2.149 -5.488 1.00 0.00 C ATOM 1367 O VAL A 86 2.184 -1.605 -6.080 1.00 0.00 O ATOM 1368 CB VAL A 86 4.934 -0.305 -5.863 1.00 0.00 C ATOM 1369 CG1 VAL A 86 4.239 0.441 -7.028 1.00 0.00 C ATOM 1370 CG2 VAL A 86 4.625 0.364 -4.496 1.00 0.00 C ATOM 0 H VAL A 86 4.579 -2.072 -7.928 1.00 0.00 H new ATOM 0 HA VAL A 86 5.220 -2.261 -5.037 1.00 0.00 H new ATOM 0 HB VAL A 86 6.006 -0.224 -6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.506 1.497 -6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.563 0.015 -7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.158 0.336 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.865 1.426 -4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.567 0.242 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.225 -0.106 -3.717 1.00 0.00 H new ATOM 1380 N LEU A 87 2.957 -3.074 -4.540 1.00 0.00 N ATOM 1381 CA LEU A 87 1.648 -3.593 -4.122 1.00 0.00 C ATOM 1382 C LEU A 87 1.021 -2.624 -3.104 1.00 0.00 C ATOM 1383 O LEU A 87 1.700 -2.154 -2.202 1.00 0.00 O ATOM 1384 CB LEU A 87 1.783 -5.029 -3.507 1.00 0.00 C ATOM 1385 CG LEU A 87 2.471 -6.137 -4.387 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.824 -6.279 -5.768 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.990 -5.947 -4.517 1.00 0.00 C ATOM 0 H LEU A 87 3.737 -3.491 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 87 1.001 -3.669 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.343 -4.944 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.784 -5.379 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 87 2.307 -7.069 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.338 -7.057 -6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.774 -6.548 -5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.899 -5.333 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.405 -6.743 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.198 -4.982 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.447 -5.981 -3.528 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.260 -2.285 -3.288 1.00 0.00 N ATOM 1400 CA ASN A 88 -0.987 -1.345 -2.400 1.00 0.00 C ATOM 1401 C ASN A 88 -1.858 -2.135 -1.421 1.00 0.00 C ATOM 1402 O ASN A 88 -2.481 -3.121 -1.813 1.00 0.00 O ATOM 1403 CB ASN A 88 -1.871 -0.367 -3.224 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.088 0.661 -4.049 1.00 0.00 C ATOM 1405 OD1 ASN A 88 0.057 0.280 -4.607 1.00 0.00 O flip ATOM 1406 ND2 ASN A 88 -1.527 1.797 -4.213 1.00 0.00 N flip ATOM 0 H ASN A 88 -0.829 -2.649 -4.053 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.255 -0.756 -1.847 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.503 -0.948 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.535 0.164 -2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.407 2.071 -3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.011 2.465 -4.785 1.00 0.00 H new ATOM 1413 N ILE A 89 -1.969 -1.640 -0.175 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.624 -2.383 0.923 1.00 0.00 C ATOM 1415 C ILE A 89 -4.152 -2.230 0.807 1.00 0.00 C ATOM 1416 O ILE A 89 -4.642 -1.174 0.385 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.122 -1.877 2.335 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.566 -2.003 2.423 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -2.817 -2.635 3.511 1.00 0.00 C ATOM 1420 CD1 ILE A 89 0.051 -1.470 3.715 1.00 0.00 C ATOM 0 H ILE A 89 -1.613 -0.725 0.100 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.359 -3.437 0.837 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.398 -0.827 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.294 -3.053 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.125 -1.471 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.442 -2.255 4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.895 -2.479 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.600 -3.701 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.133 -1.601 3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.183 -0.411 3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.356 -2.018 4.565 1.00 0.00 H new ATOM 1432 N ILE A 90 -4.895 -3.299 1.138 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.371 -3.294 1.155 1.00 0.00 C ATOM 1434 C ILE A 90 -6.878 -3.678 2.557 1.00 0.00 C ATOM 1435 O ILE A 90 -6.822 -4.846 2.959 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.007 -4.229 0.039 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.152 -5.526 -0.176 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -7.197 -3.448 -1.281 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.710 -6.495 -1.205 1.00 0.00 C ATOM 0 H ILE A 90 -4.489 -4.196 1.403 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.696 -2.281 0.918 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.990 -4.548 0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.146 -5.235 -0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.059 -6.045 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.634 -4.105 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.861 -2.601 -1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.231 -3.087 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.052 -7.360 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.703 -6.822 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.776 -5.999 -2.173 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.346 -2.664 3.304 1.00 0.00 N ATOM 1452 CA GLY A 91 -7.877 -2.847 4.656 1.00 0.00 C ATOM 1453 C GLY A 91 -6.911 -2.333 5.720 1.00 0.00 C ATOM 1454 O GLY A 91 -6.749 -1.122 5.866 1.00 0.00 O ATOM 0 H GLY A 91 -7.365 -1.696 2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.829 -2.324 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.077 -3.905 4.828 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.244 -3.255 6.434 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.323 -2.925 7.543 1.00 0.00 C ATOM 1460 C GLN A 92 -4.222 -3.992 7.643 1.00 0.00 C ATOM 1461 O GLN A 92 -4.471 -5.145 7.294 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.107 -2.854 8.889 1.00 0.00 C ATOM 1463 CG GLN A 92 -6.855 -4.152 9.269 1.00 0.00 C ATOM 1464 CD GLN A 92 -7.489 -4.133 10.665 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -6.976 -3.490 11.584 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -8.606 -4.829 10.839 1.00 0.00 N ATOM 0 H GLN A 92 -6.327 -4.257 6.260 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.868 -1.955 7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.408 -2.606 9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.828 -2.039 8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.636 -4.336 8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.158 -4.988 9.211 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.008 -5.352 10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.062 -4.841 11.751 1.00 0.00 H new ATOM 1475 N PRO A 93 -2.988 -3.640 8.113 1.00 0.00 N ATOM 1476 CA PRO A 93 -1.973 -4.656 8.491 1.00 0.00 C ATOM 1477 C PRO A 93 -2.459 -5.507 9.693 1.00 0.00 C ATOM 1478 O PRO A 93 -2.821 -4.959 10.741 1.00 0.00 O ATOM 1479 CB PRO A 93 -0.729 -3.804 8.853 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.273 -2.444 9.183 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.457 -2.254 8.264 1.00 0.00 C ATOM 0 HA PRO A 93 -1.768 -5.376 7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.191 -4.230 9.700 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.027 -3.757 8.021 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.573 -2.384 10.229 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.522 -1.670 9.022 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.199 -1.582 8.695 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.160 -1.829 7.305 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.497 -6.835 9.507 1.00 0.00 N ATOM 1490 CA LEU A 94 -2.967 -7.795 10.531 1.00 0.00 C ATOM 1491 C LEU A 94 -1.762 -8.213 11.411 1.00 0.00 C ATOM 1492 O LEU A 94 -0.845 -8.858 10.904 1.00 0.00 O ATOM 1493 CB LEU A 94 -3.635 -9.032 9.815 1.00 0.00 C ATOM 1494 CG LEU A 94 -4.404 -10.105 10.680 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -3.463 -11.120 11.362 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -5.349 -9.434 11.699 1.00 0.00 C ATOM 0 H LEU A 94 -2.202 -7.281 8.638 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.719 -7.342 11.177 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.336 -8.643 9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.852 -9.555 9.266 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.014 -10.680 9.983 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.053 -11.830 11.941 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.893 -11.655 10.602 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.777 -10.592 12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.863 -10.201 12.278 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.769 -8.800 12.370 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.083 -8.827 11.169 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.730 -7.855 12.735 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.709 -8.372 13.663 1.00 0.00 C ATOM 1510 C PRO A 95 -1.028 -9.825 14.070 1.00 0.00 C ATOM 1511 O PRO A 95 -2.165 -10.138 14.457 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.782 -7.392 14.857 1.00 0.00 C ATOM 1513 CG PRO A 95 -2.213 -6.927 14.873 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.665 -6.923 13.418 1.00 0.00 C ATOM 0 HA PRO A 95 0.292 -8.417 13.234 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.514 -7.884 15.792 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.094 -6.556 14.728 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.834 -7.592 15.473 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.296 -5.932 15.311 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.698 -7.257 13.323 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.612 -5.922 12.989 1.00 0.00 H new ATOM 1522 N ASP A 96 -0.021 -10.708 13.935 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.109 -12.137 14.306 1.00 0.00 C ATOM 1524 C ASP A 96 -0.604 -12.334 15.755 1.00 0.00 C ATOM 1525 O ASP A 96 -0.353 -11.488 16.610 1.00 0.00 O ATOM 1526 CB ASP A 96 1.281 -12.781 14.107 1.00 0.00 C ATOM 1527 CG ASP A 96 1.409 -14.229 14.609 1.00 0.00 C ATOM 1528 OD1 ASP A 96 0.896 -15.151 13.948 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.039 -14.448 15.660 1.00 0.00 O ATOM 0 H ASP A 96 0.891 -10.447 13.560 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.844 -12.622 13.663 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.526 -12.758 13.045 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.024 -12.169 14.618 1.00 0.00 H new ATOM 1534 N ALA A 97 -1.291 -13.467 16.007 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.858 -13.812 17.329 1.00 0.00 C ATOM 1536 C ALA A 97 -0.780 -13.805 18.443 1.00 0.00 C ATOM 1537 O ALA A 97 -1.000 -13.256 19.525 1.00 0.00 O ATOM 1538 CB ALA A 97 -2.546 -15.181 17.240 1.00 0.00 C ATOM 0 H ALA A 97 -1.470 -14.174 15.294 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.591 -13.052 17.600 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.966 -15.441 18.212 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.344 -15.140 16.499 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.817 -15.936 16.946 1.00 0.00 H new ATOM 1544 N ALA A 98 0.388 -14.391 18.138 1.00 0.00 N ATOM 1545 CA ALA A 98 1.546 -14.441 19.063 1.00 0.00 C ATOM 1546 C ALA A 98 2.452 -13.192 18.898 1.00 0.00 C ATOM 1547 O ALA A 98 3.468 -13.070 19.592 1.00 0.00 O ATOM 1548 CB ALA A 98 2.350 -15.732 18.825 1.00 0.00 C ATOM 0 H ALA A 98 0.563 -14.847 17.242 1.00 0.00 H new ATOM 0 HA ALA A 98 1.170 -14.441 20.086 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.199 -15.763 19.508 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.711 -16.597 19.002 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.710 -15.752 17.796 1.00 0.00 H new ATOM 1554 N ARG A 99 2.059 -12.281 17.971 1.00 0.00 N ATOM 1555 CA ARG A 99 2.766 -11.006 17.671 1.00 0.00 C ATOM 1556 C ARG A 99 4.202 -11.245 17.146 1.00 0.00 C ATOM 1557 O ARG A 99 5.069 -10.369 17.242 1.00 0.00 O ATOM 1558 CB ARG A 99 2.763 -10.055 18.911 1.00 0.00 C ATOM 1559 CG ARG A 99 1.360 -9.614 19.405 1.00 0.00 C ATOM 1560 CD ARG A 99 0.541 -8.895 18.318 1.00 0.00 C ATOM 1561 NE ARG A 99 -0.723 -8.341 18.834 1.00 0.00 N ATOM 1562 CZ ARG A 99 -1.954 -8.637 18.409 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -2.160 -9.520 17.444 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -2.985 -8.041 18.973 1.00 0.00 N ATOM 0 H ARG A 99 1.225 -12.414 17.399 1.00 0.00 H new ATOM 0 HA ARG A 99 2.215 -10.514 16.870 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.279 -10.553 19.732 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.341 -9.164 18.666 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.809 -10.490 19.748 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.474 -8.953 20.264 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.139 -8.090 17.891 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.324 -9.594 17.510 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.651 -7.663 19.592 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.368 -9.992 17.007 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.110 -9.728 17.138 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.836 -7.365 19.722 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.932 -8.256 18.660 1.00 0.00 H new ATOM 1578 N THR A 100 4.424 -12.422 16.534 1.00 0.00 N ATOM 1579 CA THR A 100 5.737 -12.817 15.995 1.00 0.00 C ATOM 1580 C THR A 100 6.001 -12.165 14.628 1.00 0.00 C ATOM 1581 O THR A 100 7.131 -12.191 14.138 1.00 0.00 O ATOM 1582 CB THR A 100 5.830 -14.371 15.860 1.00 0.00 C ATOM 1583 OG1 THR A 100 4.814 -14.832 14.966 1.00 0.00 O ATOM 1584 CG2 THR A 100 5.657 -15.067 17.219 1.00 0.00 C ATOM 0 H THR A 100 3.698 -13.126 16.399 1.00 0.00 H new ATOM 0 HA THR A 100 6.496 -12.469 16.696 1.00 0.00 H new ATOM 0 HB THR A 100 6.819 -14.616 15.473 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.937 -14.747 15.396 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.727 -16.147 17.086 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.439 -14.733 17.901 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.681 -14.815 17.635 1.00 0.00 H new ATOM 1592 N ARG A 101 4.946 -11.574 14.030 1.00 0.00 N ATOM 1593 CA ARG A 101 4.998 -11.055 12.657 1.00 0.00 C ATOM 1594 C ARG A 101 3.781 -10.138 12.403 1.00 0.00 C ATOM 1595 O ARG A 101 2.905 -10.002 13.273 1.00 0.00 O ATOM 1596 CB ARG A 101 5.004 -12.266 11.656 1.00 0.00 C ATOM 1597 CG ARG A 101 3.610 -12.864 11.360 1.00 0.00 C ATOM 1598 CD ARG A 101 3.619 -14.346 11.011 1.00 0.00 C ATOM 1599 NE ARG A 101 3.994 -15.176 12.172 1.00 0.00 N ATOM 1600 CZ ARG A 101 4.371 -16.456 12.126 1.00 0.00 C ATOM 1601 NH1 ARG A 101 4.592 -17.065 10.984 1.00 0.00 N ATOM 1602 NH2 ARG A 101 4.588 -17.103 13.258 1.00 0.00 N ATOM 0 H ARG A 101 4.042 -11.446 14.486 1.00 0.00 H new ATOM 0 HA ARG A 101 5.905 -10.468 12.510 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.452 -11.942 10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.643 -13.051 12.060 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.972 -12.713 12.230 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.160 -12.312 10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.632 -14.642 10.655 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.319 -14.524 10.195 1.00 0.00 H new ATOM 0 HE ARG A 101 3.962 -14.733 13.090 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.476 -16.559 10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.879 -18.044 10.975 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.467 -16.624 14.150 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.876 -18.081 13.239 1.00 0.00 H new ATOM 1616 N LEU A 102 3.740 -9.521 11.212 1.00 0.00 N ATOM 1617 CA LEU A 102 2.536 -8.863 10.665 1.00 0.00 C ATOM 1618 C LEU A 102 2.203 -9.494 9.304 1.00 0.00 C ATOM 1619 O LEU A 102 3.042 -9.507 8.398 1.00 0.00 O ATOM 1620 CB LEU A 102 2.706 -7.302 10.519 1.00 0.00 C ATOM 1621 CG LEU A 102 2.128 -6.412 11.669 1.00 0.00 C ATOM 1622 CD1 LEU A 102 2.874 -6.622 12.996 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.133 -4.920 11.276 1.00 0.00 C ATOM 0 H LEU A 102 4.548 -9.462 10.593 1.00 0.00 H new ATOM 0 HA LEU A 102 1.718 -9.018 11.369 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.770 -7.085 10.425 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.235 -6.996 9.585 1.00 0.00 H new ATOM 0 HG LEU A 102 1.096 -6.727 11.821 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.437 -5.983 13.764 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.789 -7.665 13.300 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.926 -6.367 12.867 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.726 -4.327 12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.155 -4.601 11.070 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.522 -4.776 10.385 1.00 0.00 H new ATOM 1635 N GLU A 103 0.989 -10.042 9.187 1.00 0.00 N ATOM 1636 CA GLU A 103 0.428 -10.466 7.901 1.00 0.00 C ATOM 1637 C GLU A 103 -0.196 -9.245 7.206 1.00 0.00 C ATOM 1638 O GLU A 103 -1.274 -8.783 7.590 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.653 -11.565 8.081 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.299 -12.033 6.756 1.00 0.00 C ATOM 1641 CD GLU A 103 -2.490 -12.971 6.970 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -3.626 -12.480 7.174 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -2.303 -14.205 6.945 1.00 0.00 O ATOM 0 H GLU A 103 0.369 -10.204 9.980 1.00 0.00 H new ATOM 0 HA GLU A 103 1.232 -10.885 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.204 -12.425 8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.434 -11.188 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.627 -11.161 6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.548 -12.541 6.151 1.00 0.00 H new ATOM 1650 N ILE A 104 0.505 -8.703 6.215 1.00 0.00 N ATOM 1651 CA ILE A 104 -0.015 -7.617 5.370 1.00 0.00 C ATOM 1652 C ILE A 104 -0.794 -8.247 4.203 1.00 0.00 C ATOM 1653 O ILE A 104 -0.405 -9.302 3.702 1.00 0.00 O ATOM 1654 CB ILE A 104 1.144 -6.700 4.798 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.255 -6.441 5.871 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.575 -5.359 4.255 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.762 -5.843 7.170 1.00 0.00 C ATOM 0 H ILE A 104 1.450 -8.999 5.970 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.660 -6.982 5.978 1.00 0.00 H new ATOM 0 HB ILE A 104 1.606 -7.235 3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.755 -7.385 6.090 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.004 -5.775 5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.390 -4.748 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.137 -5.563 3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.072 -4.825 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.604 -5.701 7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.290 -4.881 6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.037 -6.516 7.628 1.00 0.00 H new ATOM 1669 N LEU A 105 -1.898 -7.621 3.791 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.656 -8.043 2.605 1.00 0.00 C ATOM 1671 C LEU A 105 -2.754 -6.849 1.651 1.00 0.00 C ATOM 1672 O LEU A 105 -2.970 -5.702 2.069 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.055 -8.633 2.968 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.133 -7.661 3.564 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.493 -8.366 3.704 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.695 -7.054 4.917 1.00 0.00 C ATOM 0 H LEU A 105 -2.293 -6.810 4.266 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.129 -8.860 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.472 -9.082 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.901 -9.440 3.684 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.237 -6.836 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.222 -7.670 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.830 -8.703 2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.391 -9.224 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.475 -6.389 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.528 -7.854 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.772 -6.490 4.781 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.573 -7.144 0.377 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.358 -6.150 -0.677 1.00 0.00 C ATOM 1690 C CYS A 106 -2.906 -6.669 -2.008 1.00 0.00 C ATOM 1691 O CYS A 106 -3.417 -7.784 -2.090 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.840 -5.835 -0.811 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.066 -5.138 0.670 1.00 0.00 S ATOM 0 H CYS A 106 -2.570 -8.103 0.030 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.886 -5.234 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.317 -6.753 -1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.701 -5.138 -1.637 1.00 0.00 H new ATOM 0 HG CYS A 106 0.236 -3.892 0.456 1.00 0.00 H new ATOM 1699 N ARG A 107 -2.835 -5.823 -3.028 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.011 -6.219 -4.437 1.00 0.00 C ATOM 1701 C ARG A 107 -2.042 -5.378 -5.291 1.00 0.00 C ATOM 1702 O ARG A 107 -1.572 -4.342 -4.813 1.00 0.00 O ATOM 1703 CB ARG A 107 -4.498 -6.044 -4.906 1.00 0.00 C ATOM 1704 CG ARG A 107 -4.946 -4.607 -5.304 1.00 0.00 C ATOM 1705 CD ARG A 107 -4.885 -3.584 -4.159 1.00 0.00 C ATOM 1706 NE ARG A 107 -5.316 -2.241 -4.604 1.00 0.00 N ATOM 1707 CZ ARG A 107 -5.467 -1.165 -3.811 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -5.172 -1.219 -2.516 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -5.890 -0.025 -4.331 1.00 0.00 N ATOM 0 H ARG A 107 -2.651 -4.827 -2.908 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.783 -7.278 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.664 -6.700 -5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.150 -6.393 -4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.317 -4.257 -6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.967 -4.650 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.521 -3.917 -3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.867 -3.530 -3.772 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.516 -2.120 -5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.825 -2.087 -2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.293 -0.393 -1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.100 0.034 -5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.007 0.795 -3.736 1.00 0.00 H new ATOM 1723 N GLU A 108 -1.722 -5.851 -6.511 1.00 0.00 N ATOM 1724 CA GLU A 108 -0.921 -5.107 -7.503 1.00 0.00 C ATOM 1725 C GLU A 108 -1.391 -3.649 -7.630 1.00 0.00 C ATOM 1726 O GLU A 108 -2.566 -3.384 -7.903 1.00 0.00 O ATOM 1727 CB GLU A 108 -0.958 -5.842 -8.862 1.00 0.00 C ATOM 1728 CG GLU A 108 -0.301 -7.237 -8.841 1.00 0.00 C ATOM 1729 CD GLU A 108 -0.492 -7.990 -10.162 1.00 0.00 C ATOM 1730 OE1 GLU A 108 0.202 -7.657 -11.146 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -1.354 -8.892 -10.237 1.00 0.00 O ATOM 0 H GLU A 108 -2.016 -6.771 -6.839 1.00 0.00 H new ATOM 0 HA GLU A 108 0.113 -5.070 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.996 -5.946 -9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.456 -5.227 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.764 -7.131 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.725 -7.824 -8.026 1.00 0.00 H new ATOM 1738 N GLY A 109 -0.448 -2.721 -7.396 1.00 0.00 N ATOM 1739 CA GLY A 109 -0.736 -1.294 -7.317 1.00 0.00 C ATOM 1740 C GLY A 109 -0.657 -0.599 -8.652 1.00 0.00 C ATOM 1741 O GLY A 109 0.035 0.414 -8.814 1.00 0.00 O ATOM 0 H GLY A 109 0.537 -2.949 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.733 -1.153 -6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.033 -0.825 -6.628 1.00 0.00 H new