USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 825 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 Single : A 15 CYS SG : rot 37:sc= -0.791 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.57 USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= 1.24 (180deg=0.718) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot -166:sc= -0.313 USER MOD Single : A 27 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.3!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0267 (180deg=-0.203) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.224 K(o=-0.22,f=-8.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -89:sc= 0.603 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 1.13 K(o=1.1,f=-5.8!) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.937 F(o=-2.1!,f=-0.94) USER MOD Single : A 69 LYS NZ :NH3+ 151:sc= 1.22 (180deg=1.15) USER MOD Single : A 71 THR OG1 : rot -173:sc= -0.85 USER MOD Single : A 72 HIS : no HD1:sc= -0.652 X(o=-0.65,f=-0.59) USER MOD Single : A 73 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.14) USER MOD Single : A 74 GLN : amide:sc= -2.17! C(o=-2.2!,f=-7.3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.034 X(o=-0.034,f=-0.0051) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 98 GLN : amide:sc= -0.0131 X(o=-0.013,f=0.4) USER MOD Single : A 100 GLN : amide:sc= 1.25 K(o=1.2,f=-0.81) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.9!) USER MOD Single : B 3 THR OG1 : rot -32:sc= -0.858 USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 11 -10.908 -6.053 -5.149 1.00 0.00 N ATOM 107 CA LEU A 11 -9.460 -6.093 -4.980 1.00 0.00 C ATOM 108 C LEU A 11 -8.918 -4.667 -4.972 1.00 0.00 C ATOM 109 O LEU A 11 -8.419 -4.171 -5.986 1.00 0.00 O ATOM 110 CB LEU A 11 -8.800 -6.921 -6.092 1.00 0.00 C ATOM 111 CG LEU A 11 -9.316 -8.355 -6.217 1.00 0.00 C ATOM 112 CD1 LEU A 11 -8.690 -9.047 -7.415 1.00 0.00 C ATOM 113 CD2 LEU A 11 -9.042 -9.133 -4.941 1.00 0.00 C ATOM 0 HA LEU A 11 -9.224 -6.574 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.951 -6.411 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.725 -6.951 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.395 -8.320 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.070 -10.066 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.943 -8.501 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.607 -9.071 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.416 -10.151 -5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.968 -9.159 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.545 -8.648 -4.104 1.00 0.00 H new ATOM 125 N PRO A 12 -9.035 -3.988 -3.821 1.00 0.00 N ATOM 126 CA PRO A 12 -8.711 -2.562 -3.694 1.00 0.00 C ATOM 127 C PRO A 12 -7.245 -2.250 -3.985 1.00 0.00 C ATOM 128 O PRO A 12 -6.364 -3.085 -3.777 1.00 0.00 O ATOM 129 CB PRO A 12 -9.045 -2.243 -2.231 1.00 0.00 C ATOM 130 CG PRO A 12 -9.008 -3.558 -1.533 1.00 0.00 C ATOM 131 CD PRO A 12 -9.478 -4.566 -2.541 1.00 0.00 C ATOM 0 HA PRO A 12 -9.268 -1.965 -4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.322 -1.548 -1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.026 -1.776 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.000 -3.790 -1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.653 -3.553 -0.654 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.036 -5.547 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.560 -4.694 -2.509 1.00 0.00 H new ATOM 139 N ARG A 13 -6.998 -1.042 -4.464 1.00 0.00 N ATOM 140 CA ARG A 13 -5.648 -0.594 -4.750 1.00 0.00 C ATOM 141 C ARG A 13 -5.278 0.574 -3.848 1.00 0.00 C ATOM 142 O ARG A 13 -6.075 1.490 -3.645 1.00 0.00 O ATOM 143 CB ARG A 13 -5.508 -0.180 -6.220 1.00 0.00 C ATOM 144 CG ARG A 13 -6.624 0.730 -6.712 1.00 0.00 C ATOM 145 CD ARG A 13 -6.134 1.718 -7.761 1.00 0.00 C ATOM 146 NE ARG A 13 -5.417 1.075 -8.864 1.00 0.00 N ATOM 147 CZ ARG A 13 -5.604 1.377 -10.149 1.00 0.00 C ATOM 148 NH1 ARG A 13 -6.593 2.185 -10.508 1.00 0.00 N ATOM 149 NH2 ARG A 13 -4.826 0.837 -11.079 1.00 0.00 N ATOM 0 H ARG A 13 -7.721 -0.351 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.969 -1.425 -4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.553 0.327 -6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.484 -1.077 -6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.427 0.124 -7.132 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.045 1.276 -5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.986 2.267 -8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.479 2.448 -7.286 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.734 0.353 -8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.213 2.577 -9.800 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.733 2.414 -11.492 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.084 0.190 -10.811 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.970 1.069 -12.062 1.00 0.00 H new ATOM 163 N LEU A 14 -4.080 0.533 -3.298 1.00 0.00 N ATOM 164 CA LEU A 14 -3.580 1.643 -2.512 1.00 0.00 C ATOM 165 C LEU A 14 -2.960 2.660 -3.455 1.00 0.00 C ATOM 166 O LEU A 14 -1.938 2.391 -4.085 1.00 0.00 O ATOM 167 CB LEU A 14 -2.558 1.154 -1.484 1.00 0.00 C ATOM 168 CG LEU A 14 -2.024 2.220 -0.523 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.165 2.856 0.256 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.012 1.607 0.432 1.00 0.00 C ATOM 0 H LEU A 14 -3.437 -0.254 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.398 2.109 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.013 0.356 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.714 0.716 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.530 2.996 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.766 3.611 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.863 3.324 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.684 2.090 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.640 2.375 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.489 0.815 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.180 1.191 -0.137 1.00 0.00 H new ATOM 182 N CYS A 15 -3.582 3.820 -3.551 1.00 0.00 N ATOM 183 CA CYS A 15 -3.220 4.791 -4.564 1.00 0.00 C ATOM 184 C CYS A 15 -2.196 5.775 -4.026 1.00 0.00 C ATOM 185 O CYS A 15 -2.435 6.444 -3.024 1.00 0.00 O ATOM 186 CB CYS A 15 -4.468 5.543 -5.029 1.00 0.00 C ATOM 187 SG CYS A 15 -5.819 4.467 -5.569 1.00 0.00 S ATOM 0 H CYS A 15 -4.342 4.113 -2.937 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.779 4.262 -5.409 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.824 6.174 -4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.195 6.206 -5.850 1.00 0.00 H new ATOM 0 HG CYS A 15 -5.863 3.412 -4.811 1.00 0.00 H new ATOM 193 N CYS A 16 -1.053 5.850 -4.683 1.00 0.00 N ATOM 194 CA CYS A 16 -0.037 6.810 -4.308 1.00 0.00 C ATOM 195 C CYS A 16 -0.209 8.070 -5.145 1.00 0.00 C ATOM 196 O CYS A 16 0.082 8.079 -6.344 1.00 0.00 O ATOM 197 CB CYS A 16 1.362 6.220 -4.500 1.00 0.00 C ATOM 198 SG CYS A 16 2.702 7.280 -3.911 1.00 0.00 S ATOM 0 H CYS A 16 -0.807 5.258 -5.477 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.149 7.060 -3.253 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.415 5.264 -3.980 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.515 6.015 -5.560 1.00 0.00 H new ATOM 0 HG CYS A 16 3.843 6.692 -4.116 1.00 0.00 H new ATOM 204 N LEU A 17 -0.699 9.118 -4.507 1.00 0.00 N ATOM 205 CA LEU A 17 -0.953 10.382 -5.177 1.00 0.00 C ATOM 206 C LEU A 17 0.237 11.307 -5.006 1.00 0.00 C ATOM 207 O LEU A 17 0.936 11.247 -3.992 1.00 0.00 O ATOM 208 CB LEU A 17 -2.215 11.059 -4.624 1.00 0.00 C ATOM 209 CG LEU A 17 -3.549 10.378 -4.955 1.00 0.00 C ATOM 210 CD1 LEU A 17 -3.724 9.093 -4.166 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.704 11.323 -4.684 1.00 0.00 C ATOM 0 H LEU A 17 -0.931 9.118 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.109 10.177 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.123 11.123 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.249 12.081 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.541 10.122 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.679 8.635 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.914 8.404 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.704 9.316 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.644 10.826 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.702 11.608 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.597 12.215 -5.302 1.00 0.00 H new ATOM 223 N GLU A 18 0.475 12.153 -5.995 1.00 0.00 N ATOM 224 CA GLU A 18 1.599 13.072 -5.945 1.00 0.00 C ATOM 225 C GLU A 18 1.125 14.506 -5.770 1.00 0.00 C ATOM 226 O GLU A 18 0.057 14.887 -6.247 1.00 0.00 O ATOM 227 CB GLU A 18 2.448 12.958 -7.207 1.00 0.00 C ATOM 228 CG GLU A 18 3.066 11.586 -7.400 1.00 0.00 C ATOM 229 CD GLU A 18 4.182 11.598 -8.417 1.00 0.00 C ATOM 230 OE1 GLU A 18 3.889 11.651 -9.631 1.00 0.00 O ATOM 231 OE2 GLU A 18 5.359 11.565 -8.002 1.00 0.00 O ATOM 0 H GLU A 18 -0.093 12.222 -6.839 1.00 0.00 H new ATOM 0 HA GLU A 18 2.209 12.800 -5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.830 13.194 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.242 13.703 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.451 11.226 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.295 10.884 -7.718 1.00 0.00 H new ATOM 238 N LYS A 19 1.934 15.285 -5.070 1.00 0.00 N ATOM 239 CA LYS A 19 1.644 16.686 -4.822 1.00 0.00 C ATOM 240 C LYS A 19 1.851 17.502 -6.090 1.00 0.00 C ATOM 241 O LYS A 19 2.980 17.835 -6.457 1.00 0.00 O ATOM 242 CB LYS A 19 2.543 17.209 -3.699 1.00 0.00 C ATOM 243 CG LYS A 19 2.345 18.680 -3.366 1.00 0.00 C ATOM 244 CD LYS A 19 0.981 18.948 -2.759 1.00 0.00 C ATOM 245 CE LYS A 19 0.764 18.154 -1.478 1.00 0.00 C ATOM 246 NZ LYS A 19 1.819 18.424 -0.462 1.00 0.00 N ATOM 0 H LYS A 19 2.810 14.963 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 19 0.602 16.784 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.362 16.619 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.584 17.050 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.120 19.002 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.462 19.275 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.880 20.013 -2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.206 18.692 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.212 18.402 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.750 17.089 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.433 18.263 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.625 17.787 -0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.136 19.411 -0.545 1.00 0.00 H new ATOM 260 N GLY A 20 0.750 17.806 -6.754 1.00 0.00 N ATOM 261 CA GLY A 20 0.799 18.587 -7.972 1.00 0.00 C ATOM 262 C GLY A 20 0.536 20.059 -7.714 1.00 0.00 C ATOM 263 O GLY A 20 1.370 20.745 -7.118 1.00 0.00 O ATOM 0 H GLY A 20 -0.187 17.523 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.777 18.470 -8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.061 18.205 -8.678 1.00 0.00 H new ATOM 267 N PRO A 21 -0.628 20.578 -8.141 1.00 0.00 N ATOM 268 CA PRO A 21 -0.995 21.987 -7.943 1.00 0.00 C ATOM 269 C PRO A 21 -1.399 22.282 -6.500 1.00 0.00 C ATOM 270 O PRO A 21 -2.561 22.569 -6.210 1.00 0.00 O ATOM 271 CB PRO A 21 -2.184 22.170 -8.885 1.00 0.00 C ATOM 272 CG PRO A 21 -2.809 20.820 -8.957 1.00 0.00 C ATOM 273 CD PRO A 21 -1.677 19.833 -8.864 1.00 0.00 C ATOM 0 HA PRO A 21 -0.165 22.663 -8.146 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.884 22.912 -8.502 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.863 22.512 -9.869 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.520 20.676 -8.144 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.360 20.695 -9.889 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.973 18.933 -8.326 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.338 19.518 -9.851 1.00 0.00 H new ATOM 281 N ASN A 22 -0.420 22.195 -5.600 1.00 0.00 N ATOM 282 CA ASN A 22 -0.635 22.408 -4.164 1.00 0.00 C ATOM 283 C ASN A 22 -1.669 21.429 -3.622 1.00 0.00 C ATOM 284 O ASN A 22 -2.408 21.738 -2.688 1.00 0.00 O ATOM 285 CB ASN A 22 -1.073 23.848 -3.860 1.00 0.00 C ATOM 286 CG ASN A 22 0.000 24.873 -4.162 1.00 0.00 C ATOM 287 OD1 ASN A 22 0.885 25.129 -3.342 1.00 0.00 O ATOM 288 ND2 ASN A 22 -0.086 25.491 -5.329 1.00 0.00 N ATOM 0 H ASN A 22 0.546 21.975 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 22 0.320 22.233 -3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.964 24.081 -4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.352 23.922 -2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.595 26.208 -5.578 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.834 25.250 -5.980 1.00 0.00 H new ATOM 295 N GLY A 23 -1.702 20.242 -4.208 1.00 0.00 N ATOM 296 CA GLY A 23 -2.667 19.243 -3.816 1.00 0.00 C ATOM 297 C GLY A 23 -2.564 18.003 -4.669 1.00 0.00 C ATOM 298 O GLY A 23 -1.511 17.733 -5.244 1.00 0.00 O ATOM 0 H GLY A 23 -1.070 19.953 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.513 18.979 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.672 19.657 -3.895 1.00 0.00 H new ATOM 302 N TYR A 24 -3.651 17.259 -4.767 1.00 0.00 N ATOM 303 CA TYR A 24 -3.642 15.984 -5.467 1.00 0.00 C ATOM 304 C TYR A 24 -4.699 15.956 -6.565 1.00 0.00 C ATOM 305 O TYR A 24 -4.648 15.123 -7.469 1.00 0.00 O ATOM 306 CB TYR A 24 -3.851 14.849 -4.465 1.00 0.00 C ATOM 307 CG TYR A 24 -2.857 14.909 -3.329 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.514 14.641 -3.548 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.256 15.265 -2.047 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.593 14.725 -2.526 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.340 15.347 -1.015 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.013 15.077 -1.259 1.00 0.00 C ATOM 313 OH TYR A 24 -0.097 15.170 -0.235 1.00 0.00 O ATOM 0 H TYR A 24 -4.555 17.516 -4.370 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.674 15.850 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.863 14.901 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.759 13.891 -4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.184 14.361 -4.538 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.296 15.481 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.450 14.517 -2.715 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.664 15.622 -0.022 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.568 15.206 0.623 1.00 0.00 H new ATOM 323 N GLY A 25 -5.658 16.866 -6.477 1.00 0.00 N ATOM 324 CA GLY A 25 -6.582 17.068 -7.572 1.00 0.00 C ATOM 325 C GLY A 25 -7.970 16.521 -7.312 1.00 0.00 C ATOM 326 O GLY A 25 -8.607 15.988 -8.222 1.00 0.00 O ATOM 0 H GLY A 25 -5.812 17.467 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.656 18.135 -7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.178 16.596 -8.467 1.00 0.00 H new ATOM 330 N PHE A 26 -8.455 16.643 -6.082 1.00 0.00 N ATOM 331 CA PHE A 26 -9.822 16.247 -5.784 1.00 0.00 C ATOM 332 C PHE A 26 -10.382 17.062 -4.634 1.00 0.00 C ATOM 333 O PHE A 26 -9.643 17.559 -3.794 1.00 0.00 O ATOM 334 CB PHE A 26 -9.914 14.747 -5.462 1.00 0.00 C ATOM 335 CG PHE A 26 -9.120 14.311 -4.259 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.763 14.051 -4.362 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.733 14.159 -3.026 1.00 0.00 C ATOM 338 CE1 PHE A 26 -7.037 13.644 -3.261 1.00 0.00 C ATOM 339 CE2 PHE A 26 -9.010 13.750 -1.922 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.660 13.496 -2.039 1.00 0.00 C ATOM 0 H PHE A 26 -7.930 17.007 -5.287 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.419 16.441 -6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.961 14.487 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.573 14.182 -6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.268 14.168 -5.315 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.789 14.363 -2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.980 13.441 -3.356 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.502 13.629 -0.968 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.092 13.182 -1.176 1.00 0.00 H new ATOM 350 N HIS A 27 -11.693 17.199 -4.608 1.00 0.00 N ATOM 351 CA HIS A 27 -12.369 17.875 -3.517 1.00 0.00 C ATOM 352 C HIS A 27 -13.023 16.831 -2.635 1.00 0.00 C ATOM 353 O HIS A 27 -13.848 16.051 -3.113 1.00 0.00 O ATOM 354 CB HIS A 27 -13.438 18.844 -4.037 1.00 0.00 C ATOM 355 CG HIS A 27 -12.917 19.953 -4.899 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.010 21.283 -4.551 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.324 19.928 -6.116 1.00 0.00 C ATOM 358 CE1 HIS A 27 -12.500 22.026 -5.515 1.00 0.00 C ATOM 359 NE2 HIS A 27 -12.076 21.227 -6.473 1.00 0.00 N ATOM 0 H HIS A 27 -12.316 16.848 -5.336 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.636 18.453 -2.954 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.176 18.278 -4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -13.958 19.280 -3.184 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.090 19.048 -6.697 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.440 23.104 -5.518 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.634 21.528 -7.342 1.00 0.00 H new ATOM 368 N LEU A 28 -12.662 16.796 -1.367 1.00 0.00 N ATOM 369 CA LEU A 28 -13.229 15.809 -0.471 1.00 0.00 C ATOM 370 C LEU A 28 -14.341 16.451 0.339 1.00 0.00 C ATOM 371 O LEU A 28 -14.119 17.425 1.057 1.00 0.00 O ATOM 372 CB LEU A 28 -12.144 15.213 0.441 1.00 0.00 C ATOM 373 CG LEU A 28 -12.501 13.879 1.112 1.00 0.00 C ATOM 374 CD1 LEU A 28 -11.242 13.139 1.533 1.00 0.00 C ATOM 375 CD2 LEU A 28 -13.394 14.095 2.324 1.00 0.00 C ATOM 0 H LEU A 28 -11.988 17.431 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.647 14.988 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.237 15.072 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.909 15.939 1.219 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.044 13.278 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.515 12.196 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.627 12.939 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.680 13.750 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.630 13.133 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.876 14.722 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.316 14.586 2.013 1.00 0.00 H new ATOM 387 N HIS A 29 -15.531 15.898 0.215 1.00 0.00 N ATOM 388 CA HIS A 29 -16.697 16.425 0.886 1.00 0.00 C ATOM 389 C HIS A 29 -17.097 15.492 2.010 1.00 0.00 C ATOM 390 O HIS A 29 -17.157 14.276 1.832 1.00 0.00 O ATOM 391 CB HIS A 29 -17.849 16.589 -0.114 1.00 0.00 C ATOM 392 CG HIS A 29 -19.187 16.806 0.523 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.548 17.977 1.150 1.00 0.00 N ATOM 394 CD2 HIS A 29 -20.244 15.975 0.642 1.00 0.00 C ATOM 395 CE1 HIS A 29 -20.771 17.856 1.632 1.00 0.00 C ATOM 396 NE2 HIS A 29 -21.214 16.651 1.335 1.00 0.00 N ATOM 0 H HIS A 29 -15.714 15.071 -0.354 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.464 17.404 1.305 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.630 17.432 -0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.898 15.701 -0.744 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -20.312 14.966 0.262 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.315 18.614 2.176 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -22.132 16.281 1.581 1.00 0.00 H new ATOM 405 N GLY A 30 -17.373 16.052 3.163 1.00 0.00 N ATOM 406 CA GLY A 30 -17.719 15.229 4.289 1.00 0.00 C ATOM 407 C GLY A 30 -18.870 15.791 5.076 1.00 0.00 C ATOM 408 O GLY A 30 -19.054 17.006 5.133 1.00 0.00 O ATOM 0 H GLY A 30 -17.365 17.056 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.975 14.229 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.852 15.127 4.941 1.00 0.00 H new ATOM 412 N GLU A 31 -19.642 14.908 5.679 1.00 0.00 N ATOM 413 CA GLU A 31 -20.717 15.320 6.554 1.00 0.00 C ATOM 414 C GLU A 31 -20.124 15.630 7.917 1.00 0.00 C ATOM 415 O GLU A 31 -19.186 14.960 8.355 1.00 0.00 O ATOM 416 CB GLU A 31 -21.780 14.221 6.646 1.00 0.00 C ATOM 417 CG GLU A 31 -22.313 13.799 5.284 1.00 0.00 C ATOM 418 CD GLU A 31 -23.563 12.946 5.367 1.00 0.00 C ATOM 419 OE1 GLU A 31 -24.644 13.505 5.658 1.00 0.00 O ATOM 420 OE2 GLU A 31 -23.479 11.725 5.111 1.00 0.00 O ATOM 0 H GLU A 31 -19.543 13.898 5.577 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.208 16.210 6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.355 13.353 7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.608 14.573 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -22.528 14.690 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -21.538 13.245 4.754 1.00 0.00 H new ATOM 427 N LYS A 32 -20.635 16.667 8.564 1.00 0.00 N ATOM 428 CA LYS A 32 -20.042 17.163 9.797 1.00 0.00 C ATOM 429 C LYS A 32 -20.210 16.159 10.935 1.00 0.00 C ATOM 430 O LYS A 32 -21.231 16.142 11.624 1.00 0.00 O ATOM 431 CB LYS A 32 -20.653 18.515 10.175 1.00 0.00 C ATOM 432 CG LYS A 32 -19.898 19.236 11.280 1.00 0.00 C ATOM 433 CD LYS A 32 -18.446 19.480 10.893 1.00 0.00 C ATOM 434 CE LYS A 32 -17.697 20.253 11.969 1.00 0.00 C ATOM 435 NZ LYS A 32 -18.250 21.619 12.156 1.00 0.00 N ATOM 0 H LYS A 32 -21.460 17.182 8.255 1.00 0.00 H new ATOM 0 HA LYS A 32 -18.974 17.297 9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -20.681 19.152 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.685 18.362 10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -20.384 20.188 11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -19.938 18.645 12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.950 18.525 10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.408 20.033 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.750 19.708 12.911 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.643 20.322 11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.590 22.185 12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -18.381 22.070 11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -19.166 21.559 12.644 1.00 0.00 H new ATOM 449 N GLY A 33 -19.200 15.322 11.103 1.00 0.00 N ATOM 450 CA GLY A 33 -19.199 14.331 12.155 1.00 0.00 C ATOM 451 C GLY A 33 -17.910 13.541 12.152 1.00 0.00 C ATOM 452 O GLY A 33 -16.824 14.120 12.050 1.00 0.00 O ATOM 0 H GLY A 33 -18.366 15.313 10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.328 14.820 13.121 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.044 13.655 12.024 1.00 0.00 H new ATOM 456 N LYS A 34 -18.023 12.226 12.229 1.00 0.00 N ATOM 457 CA LYS A 34 -16.857 11.357 12.237 1.00 0.00 C ATOM 458 C LYS A 34 -16.833 10.529 10.963 1.00 0.00 C ATOM 459 O LYS A 34 -15.944 10.672 10.129 1.00 0.00 O ATOM 460 CB LYS A 34 -16.885 10.437 13.462 1.00 0.00 C ATOM 461 CG LYS A 34 -16.973 11.180 14.783 1.00 0.00 C ATOM 462 CD LYS A 34 -17.090 10.219 15.952 1.00 0.00 C ATOM 463 CE LYS A 34 -17.318 10.962 17.257 1.00 0.00 C ATOM 464 NZ LYS A 34 -17.485 10.034 18.407 1.00 0.00 N ATOM 0 H LYS A 34 -18.915 11.734 12.287 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.957 11.970 12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.736 9.761 13.378 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.987 9.820 13.462 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.089 11.805 14.911 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.835 11.847 14.770 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.914 9.528 15.776 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.182 9.620 16.026 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.475 11.627 17.447 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.205 11.590 17.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.638 10.583 19.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.305 9.416 18.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.629 9.452 18.511 1.00 0.00 H new ATOM 478 N LEU A 35 -17.837 9.682 10.810 1.00 0.00 N ATOM 479 CA LEU A 35 -17.945 8.837 9.637 1.00 0.00 C ATOM 480 C LEU A 35 -18.777 9.534 8.570 1.00 0.00 C ATOM 481 O LEU A 35 -19.913 9.942 8.824 1.00 0.00 O ATOM 482 CB LEU A 35 -18.582 7.494 10.007 1.00 0.00 C ATOM 483 CG LEU A 35 -17.899 6.734 11.150 1.00 0.00 C ATOM 484 CD1 LEU A 35 -18.652 5.452 11.459 1.00 0.00 C ATOM 485 CD2 LEU A 35 -16.452 6.422 10.805 1.00 0.00 C ATOM 0 H LEU A 35 -18.590 9.563 11.487 1.00 0.00 H new ATOM 0 HA LEU A 35 -16.945 8.652 9.243 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -19.623 7.668 10.280 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.587 6.858 9.122 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.911 7.371 12.034 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.154 4.925 12.273 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -19.674 5.692 11.754 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.670 4.818 10.573 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.989 5.883 11.631 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.417 5.807 9.906 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.911 7.352 10.630 1.00 0.00 H new ATOM 497 N GLY A 36 -18.204 9.687 7.385 1.00 0.00 N ATOM 498 CA GLY A 36 -18.920 10.316 6.291 1.00 0.00 C ATOM 499 C GLY A 36 -18.038 11.218 5.450 1.00 0.00 C ATOM 500 O GLY A 36 -18.407 12.354 5.150 1.00 0.00 O ATOM 0 H GLY A 36 -17.255 9.387 7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.353 9.544 5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.749 10.899 6.693 1.00 0.00 H new ATOM 504 N GLN A 37 -16.875 10.714 5.066 1.00 0.00 N ATOM 505 CA GLN A 37 -15.948 11.464 4.229 1.00 0.00 C ATOM 506 C GLN A 37 -15.843 10.832 2.842 1.00 0.00 C ATOM 507 O GLN A 37 -15.421 9.685 2.697 1.00 0.00 O ATOM 508 CB GLN A 37 -14.559 11.577 4.892 1.00 0.00 C ATOM 509 CG GLN A 37 -13.959 10.270 5.415 1.00 0.00 C ATOM 510 CD GLN A 37 -14.645 9.751 6.669 1.00 0.00 C ATOM 511 OE1 GLN A 37 -15.574 8.944 6.596 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.216 10.235 7.823 1.00 0.00 N ATOM 0 H GLN A 37 -16.548 9.782 5.322 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.341 12.474 4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.867 12.008 4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.630 12.279 5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.022 9.512 4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.901 10.423 5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.444 10.901 7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.657 9.942 8.695 1.00 0.00 H new ATOM 521 N TYR A 38 -16.240 11.586 1.823 1.00 0.00 N ATOM 522 CA TYR A 38 -16.285 11.081 0.454 1.00 0.00 C ATOM 523 C TYR A 38 -15.670 12.091 -0.504 1.00 0.00 C ATOM 524 O TYR A 38 -15.472 13.251 -0.156 1.00 0.00 O ATOM 525 CB TYR A 38 -17.732 10.812 0.023 1.00 0.00 C ATOM 526 CG TYR A 38 -18.514 9.927 0.965 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.519 8.547 0.812 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.255 10.475 2.003 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.238 7.739 1.672 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.975 9.673 2.865 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.964 8.308 2.695 1.00 0.00 C ATOM 532 OH TYR A 38 -20.685 7.507 3.553 1.00 0.00 O ATOM 0 H TYR A 38 -16.538 12.557 1.920 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.718 10.151 0.424 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.251 11.765 -0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.723 10.351 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.953 8.099 0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.268 11.546 2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.231 6.667 1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.544 10.115 3.669 1.00 0.00 H new ATOM 0 HH TYR A 38 -21.139 8.066 4.218 1.00 0.00 H new ATOM 542 N ILE A 39 -15.361 11.643 -1.705 1.00 0.00 N ATOM 543 CA ILE A 39 -14.849 12.525 -2.739 1.00 0.00 C ATOM 544 C ILE A 39 -16.012 13.106 -3.539 1.00 0.00 C ATOM 545 O ILE A 39 -16.865 12.364 -4.021 1.00 0.00 O ATOM 546 CB ILE A 39 -13.899 11.779 -3.696 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.860 10.965 -2.914 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.209 12.765 -4.626 1.00 0.00 C ATOM 549 CD1 ILE A 39 -12.002 11.794 -1.984 1.00 0.00 C ATOM 0 H ILE A 39 -15.456 10.669 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.289 13.324 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.491 11.086 -4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.375 10.201 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.214 10.445 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.541 12.226 -5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.958 13.298 -5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.633 13.479 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.293 11.146 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.457 12.541 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.637 12.293 -1.252 1.00 0.00 H new ATOM 561 N ARG A 40 -16.048 14.429 -3.685 1.00 0.00 N ATOM 562 CA ARG A 40 -17.177 15.077 -4.349 1.00 0.00 C ATOM 563 C ARG A 40 -16.866 15.353 -5.818 1.00 0.00 C ATOM 564 O ARG A 40 -17.750 15.300 -6.671 1.00 0.00 O ATOM 565 CB ARG A 40 -17.567 16.394 -3.652 1.00 0.00 C ATOM 566 CG ARG A 40 -16.546 17.511 -3.821 1.00 0.00 C ATOM 567 CD ARG A 40 -17.196 18.887 -3.833 1.00 0.00 C ATOM 568 NE ARG A 40 -17.650 19.321 -2.513 1.00 0.00 N ATOM 569 CZ ARG A 40 -18.542 20.296 -2.317 1.00 0.00 C ATOM 570 NH1 ARG A 40 -19.096 20.916 -3.351 1.00 0.00 N ATOM 571 NH2 ARG A 40 -18.862 20.661 -1.088 1.00 0.00 N ATOM 0 H ARG A 40 -15.321 15.065 -3.358 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.019 14.387 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.527 16.730 -4.045 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.708 16.202 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.819 17.462 -3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.998 17.362 -4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -16.484 19.615 -4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.045 18.875 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.263 18.852 -1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.841 20.649 -4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.776 21.660 -3.195 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.428 20.198 -0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.543 21.405 -0.938 1.00 0.00 H new ATOM 585 N LEU A 41 -15.607 15.646 -6.114 1.00 0.00 N ATOM 586 CA LEU A 41 -15.227 16.040 -7.460 1.00 0.00 C ATOM 587 C LEU A 41 -13.738 15.828 -7.686 1.00 0.00 C ATOM 588 O LEU A 41 -12.916 16.213 -6.854 1.00 0.00 O ATOM 589 CB LEU A 41 -15.580 17.513 -7.694 1.00 0.00 C ATOM 590 CG LEU A 41 -15.373 18.015 -9.123 1.00 0.00 C ATOM 591 CD1 LEU A 41 -16.347 17.338 -10.075 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.530 19.526 -9.181 1.00 0.00 C ATOM 0 H LEU A 41 -14.838 15.618 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.777 15.418 -8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.624 17.668 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.980 18.125 -7.021 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.360 17.761 -9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.184 17.709 -11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -16.187 16.260 -10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.369 17.559 -9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.380 19.868 -10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.531 19.801 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.791 19.994 -8.530 1.00 0.00 H new ATOM 604 N VAL A 42 -13.409 15.198 -8.802 1.00 0.00 N ATOM 605 CA VAL A 42 -12.023 14.995 -9.205 1.00 0.00 C ATOM 606 C VAL A 42 -11.814 15.588 -10.590 1.00 0.00 C ATOM 607 O VAL A 42 -12.646 15.392 -11.478 1.00 0.00 O ATOM 608 CB VAL A 42 -11.649 13.492 -9.233 1.00 0.00 C ATOM 609 CG1 VAL A 42 -10.211 13.292 -9.685 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.866 12.856 -7.873 1.00 0.00 C ATOM 0 H VAL A 42 -14.092 14.813 -9.454 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.382 15.489 -8.475 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.304 13.002 -9.954 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.977 12.227 -9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.085 13.700 -10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.539 13.805 -8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.597 11.801 -7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.243 13.358 -7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.914 12.951 -7.590 1.00 0.00 H new ATOM 620 N GLU A 43 -10.733 16.323 -10.775 1.00 0.00 N ATOM 621 CA GLU A 43 -10.445 16.899 -12.075 1.00 0.00 C ATOM 622 C GLU A 43 -9.761 15.854 -12.953 1.00 0.00 C ATOM 623 O GLU A 43 -8.990 15.022 -12.467 1.00 0.00 O ATOM 624 CB GLU A 43 -9.589 18.157 -11.927 1.00 0.00 C ATOM 625 CG GLU A 43 -8.225 17.898 -11.330 1.00 0.00 C ATOM 626 CD GLU A 43 -7.821 18.967 -10.342 1.00 0.00 C ATOM 627 OE1 GLU A 43 -8.498 19.093 -9.307 1.00 0.00 O ATOM 628 OE2 GLU A 43 -6.834 19.692 -10.597 1.00 0.00 O ATOM 0 H GLU A 43 -10.047 16.534 -10.050 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.377 17.197 -12.556 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.465 18.619 -12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.119 18.875 -11.301 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.226 16.928 -10.833 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.485 17.846 -12.129 1.00 0.00 H new ATOM 635 N PRO A 44 -10.054 15.886 -14.260 1.00 0.00 N ATOM 636 CA PRO A 44 -9.664 14.832 -15.204 1.00 0.00 C ATOM 637 C PRO A 44 -8.156 14.710 -15.391 1.00 0.00 C ATOM 638 O PRO A 44 -7.662 13.660 -15.804 1.00 0.00 O ATOM 639 CB PRO A 44 -10.328 15.262 -16.515 1.00 0.00 C ATOM 640 CG PRO A 44 -10.528 16.730 -16.379 1.00 0.00 C ATOM 641 CD PRO A 44 -10.776 16.981 -14.922 1.00 0.00 C ATOM 0 HA PRO A 44 -9.974 13.850 -14.845 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.698 15.027 -17.373 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.276 14.746 -16.665 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.651 17.277 -16.725 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.372 17.066 -16.982 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.399 17.956 -14.612 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.840 16.961 -14.686 1.00 0.00 H new ATOM 649 N GLY A 45 -7.432 15.777 -15.095 1.00 0.00 N ATOM 650 CA GLY A 45 -5.990 15.749 -15.222 1.00 0.00 C ATOM 651 C GLY A 45 -5.291 15.945 -13.893 1.00 0.00 C ATOM 652 O GLY A 45 -4.436 16.820 -13.757 1.00 0.00 O ATOM 0 H GLY A 45 -7.817 16.663 -14.769 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.684 14.796 -15.654 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.673 16.529 -15.915 1.00 0.00 H new ATOM 656 N SER A 46 -5.663 15.146 -12.903 1.00 0.00 N ATOM 657 CA SER A 46 -5.050 15.235 -11.588 1.00 0.00 C ATOM 658 C SER A 46 -4.235 13.984 -11.271 1.00 0.00 C ATOM 659 O SER A 46 -4.478 12.916 -11.842 1.00 0.00 O ATOM 660 CB SER A 46 -6.132 15.418 -10.527 1.00 0.00 C ATOM 661 OG SER A 46 -7.085 14.371 -10.593 1.00 0.00 O ATOM 0 H SER A 46 -6.385 14.430 -12.986 1.00 0.00 H new ATOM 0 HA SER A 46 -4.377 16.093 -11.586 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.677 15.439 -9.537 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.629 16.378 -10.670 1.00 0.00 H new ATOM 0 HG SER A 46 -7.796 14.615 -11.222 1.00 0.00 H new ATOM 667 N PRO A 47 -3.244 14.101 -10.372 1.00 0.00 N ATOM 668 CA PRO A 47 -2.545 12.941 -9.814 1.00 0.00 C ATOM 669 C PRO A 47 -3.523 11.925 -9.226 1.00 0.00 C ATOM 670 O PRO A 47 -3.316 10.718 -9.330 1.00 0.00 O ATOM 671 CB PRO A 47 -1.676 13.547 -8.710 1.00 0.00 C ATOM 672 CG PRO A 47 -1.450 14.956 -9.138 1.00 0.00 C ATOM 673 CD PRO A 47 -2.702 15.375 -9.858 1.00 0.00 C ATOM 0 HA PRO A 47 -1.974 12.398 -10.567 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.176 13.502 -7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.734 13.008 -8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.260 15.599 -8.279 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.580 15.031 -9.791 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.405 15.869 -9.187 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.486 16.075 -10.665 1.00 0.00 H new ATOM 681 N ALA A 48 -4.596 12.431 -8.623 1.00 0.00 N ATOM 682 CA ALA A 48 -5.633 11.589 -8.043 1.00 0.00 C ATOM 683 C ALA A 48 -6.299 10.726 -9.105 1.00 0.00 C ATOM 684 O ALA A 48 -6.443 9.513 -8.934 1.00 0.00 O ATOM 685 CB ALA A 48 -6.678 12.449 -7.349 1.00 0.00 C ATOM 0 H ALA A 48 -4.769 13.431 -8.524 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.162 10.931 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.449 11.809 -6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.204 13.029 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.131 13.126 -8.073 1.00 0.00 H new ATOM 691 N GLU A 49 -6.682 11.361 -10.208 1.00 0.00 N ATOM 692 CA GLU A 49 -7.349 10.687 -11.307 1.00 0.00 C ATOM 693 C GLU A 49 -6.496 9.535 -11.817 1.00 0.00 C ATOM 694 O GLU A 49 -6.941 8.387 -11.895 1.00 0.00 O ATOM 695 CB GLU A 49 -7.526 11.705 -12.429 1.00 0.00 C ATOM 696 CG GLU A 49 -8.672 11.426 -13.369 1.00 0.00 C ATOM 697 CD GLU A 49 -8.627 10.050 -14.003 1.00 0.00 C ATOM 698 OE1 GLU A 49 -7.770 9.825 -14.884 1.00 0.00 O ATOM 699 OE2 GLU A 49 -9.454 9.191 -13.625 1.00 0.00 O ATOM 0 H GLU A 49 -6.537 12.359 -10.361 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.308 10.290 -10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.671 12.690 -11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.604 11.749 -13.008 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.610 11.533 -12.824 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.673 12.178 -14.158 1.00 0.00 H new ATOM 706 N LYS A 50 -5.259 9.861 -12.122 1.00 0.00 N ATOM 707 CA LYS A 50 -4.291 8.887 -12.610 1.00 0.00 C ATOM 708 C LYS A 50 -4.037 7.789 -11.580 1.00 0.00 C ATOM 709 O LYS A 50 -3.885 6.620 -11.939 1.00 0.00 O ATOM 710 CB LYS A 50 -2.986 9.590 -12.970 1.00 0.00 C ATOM 711 CG LYS A 50 -3.164 10.676 -14.017 1.00 0.00 C ATOM 712 CD LYS A 50 -1.860 11.400 -14.306 1.00 0.00 C ATOM 713 CE LYS A 50 -1.304 12.064 -13.058 1.00 0.00 C ATOM 714 NZ LYS A 50 -0.074 12.845 -13.340 1.00 0.00 N ATOM 0 H LYS A 50 -4.890 10.808 -12.041 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.703 8.414 -13.502 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.556 10.029 -12.070 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.272 8.853 -13.337 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.546 10.234 -14.937 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.910 11.393 -13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.130 10.693 -14.700 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.023 12.152 -15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.061 12.722 -12.631 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.085 11.302 -12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.270 13.280 -12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.658 12.213 -13.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.287 13.589 -14.034 1.00 0.00 H new ATOM 728 N ALA A 51 -4.012 8.162 -10.305 1.00 0.00 N ATOM 729 CA ALA A 51 -3.793 7.203 -9.226 1.00 0.00 C ATOM 730 C ALA A 51 -4.937 6.196 -9.144 1.00 0.00 C ATOM 731 O ALA A 51 -4.762 5.080 -8.662 1.00 0.00 O ATOM 732 CB ALA A 51 -3.631 7.927 -7.895 1.00 0.00 C ATOM 0 H ALA A 51 -4.141 9.124 -9.992 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.875 6.657 -9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.469 7.198 -7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.776 8.601 -7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.532 8.501 -7.681 1.00 0.00 H new ATOM 738 N GLY A 52 -6.106 6.598 -9.623 1.00 0.00 N ATOM 739 CA GLY A 52 -7.253 5.711 -9.616 1.00 0.00 C ATOM 740 C GLY A 52 -8.337 6.180 -8.675 1.00 0.00 C ATOM 741 O GLY A 52 -9.291 5.454 -8.403 1.00 0.00 O ATOM 0 H GLY A 52 -6.281 7.523 -10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.658 5.638 -10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.933 4.710 -9.327 1.00 0.00 H new ATOM 745 N LEU A 53 -8.190 7.398 -8.174 1.00 0.00 N ATOM 746 CA LEU A 53 -9.168 7.973 -7.268 1.00 0.00 C ATOM 747 C LEU A 53 -10.328 8.563 -8.067 1.00 0.00 C ATOM 748 O LEU A 53 -10.120 9.322 -9.019 1.00 0.00 O ATOM 749 CB LEU A 53 -8.488 9.034 -6.395 1.00 0.00 C ATOM 750 CG LEU A 53 -9.277 9.503 -5.172 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.321 9.934 -4.078 1.00 0.00 C ATOM 752 CD2 LEU A 53 -10.203 10.653 -5.531 1.00 0.00 C ATOM 0 H LEU A 53 -7.399 8.007 -8.382 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.573 7.201 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.531 8.637 -6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.270 9.902 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.885 8.671 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.889 10.267 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.687 9.093 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.699 10.752 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.753 10.968 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.615 11.489 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.907 10.328 -6.297 1.00 0.00 H new ATOM 764 N LEU A 54 -11.542 8.193 -7.690 1.00 0.00 N ATOM 765 CA LEU A 54 -12.737 8.612 -8.409 1.00 0.00 C ATOM 766 C LEU A 54 -13.519 9.646 -7.610 1.00 0.00 C ATOM 767 O LEU A 54 -13.371 9.754 -6.392 1.00 0.00 O ATOM 768 CB LEU A 54 -13.628 7.404 -8.691 1.00 0.00 C ATOM 769 CG LEU A 54 -13.005 6.326 -9.580 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.930 5.127 -9.681 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.706 6.885 -10.962 1.00 0.00 C ATOM 0 H LEU A 54 -11.727 7.598 -6.883 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.425 9.063 -9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.909 6.950 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.547 7.753 -9.161 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.067 6.003 -9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.474 4.368 -10.317 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.100 4.714 -8.687 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.882 5.437 -10.112 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.263 6.105 -11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.631 7.233 -11.422 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.009 7.718 -10.874 1.00 0.00 H new ATOM 783 N ALA A 55 -14.371 10.391 -8.304 1.00 0.00 N ATOM 784 CA ALA A 55 -15.151 11.458 -7.685 1.00 0.00 C ATOM 785 C ALA A 55 -16.388 10.914 -6.975 1.00 0.00 C ATOM 786 O ALA A 55 -17.485 11.462 -7.104 1.00 0.00 O ATOM 787 CB ALA A 55 -15.553 12.484 -8.734 1.00 0.00 C ATOM 0 H ALA A 55 -14.541 10.275 -9.303 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.524 11.937 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.135 13.277 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.658 12.911 -9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.154 12.001 -9.504 1.00 0.00 H new ATOM 793 N GLY A 56 -16.203 9.835 -6.232 1.00 0.00 N ATOM 794 CA GLY A 56 -17.288 9.259 -5.468 1.00 0.00 C ATOM 795 C GLY A 56 -16.813 8.133 -4.578 1.00 0.00 C ATOM 796 O GLY A 56 -17.586 7.238 -4.228 1.00 0.00 O ATOM 0 H GLY A 56 -15.313 9.344 -6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.753 10.033 -4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.054 8.886 -6.148 1.00 0.00 H new ATOM 800 N ASP A 57 -15.538 8.170 -4.218 1.00 0.00 N ATOM 801 CA ASP A 57 -14.951 7.131 -3.386 1.00 0.00 C ATOM 802 C ASP A 57 -14.971 7.542 -1.925 1.00 0.00 C ATOM 803 O ASP A 57 -15.052 8.729 -1.602 1.00 0.00 O ATOM 804 CB ASP A 57 -13.502 6.848 -3.793 1.00 0.00 C ATOM 805 CG ASP A 57 -13.361 6.270 -5.187 1.00 0.00 C ATOM 806 OD1 ASP A 57 -14.314 5.628 -5.673 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.290 6.455 -5.798 1.00 0.00 O ATOM 0 H ASP A 57 -14.890 8.909 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.547 6.230 -3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.930 7.774 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.062 6.155 -3.076 1.00 0.00 H new ATOM 812 N ARG A 58 -14.899 6.559 -1.044 1.00 0.00 N ATOM 813 CA ARG A 58 -14.764 6.824 0.374 1.00 0.00 C ATOM 814 C ARG A 58 -13.333 6.533 0.800 1.00 0.00 C ATOM 815 O ARG A 58 -12.816 5.442 0.548 1.00 0.00 O ATOM 816 CB ARG A 58 -15.736 5.962 1.183 1.00 0.00 C ATOM 817 CG ARG A 58 -15.883 6.407 2.629 1.00 0.00 C ATOM 818 CD ARG A 58 -16.728 5.432 3.431 1.00 0.00 C ATOM 819 NE ARG A 58 -15.983 4.232 3.801 1.00 0.00 N ATOM 820 CZ ARG A 58 -16.467 2.995 3.717 1.00 0.00 C ATOM 821 NH1 ARG A 58 -17.728 2.788 3.347 1.00 0.00 N ATOM 822 NH2 ARG A 58 -15.700 1.962 4.049 1.00 0.00 N ATOM 0 H ARG A 58 -14.932 5.569 -1.288 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.001 7.871 0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.714 5.984 0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.395 4.927 1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.897 6.495 3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.339 7.397 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.091 5.925 4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.604 5.148 2.848 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.030 4.349 4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.331 3.580 3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.092 1.837 3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.744 2.118 4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.068 1.013 3.986 1.00 0.00 H new ATOM 836 N LEU A 59 -12.690 7.509 1.419 1.00 0.00 N ATOM 837 CA LEU A 59 -11.319 7.342 1.872 1.00 0.00 C ATOM 838 C LEU A 59 -11.302 6.582 3.189 1.00 0.00 C ATOM 839 O LEU A 59 -11.890 7.028 4.175 1.00 0.00 O ATOM 840 CB LEU A 59 -10.642 8.704 2.037 1.00 0.00 C ATOM 841 CG LEU A 59 -9.173 8.653 2.458 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.328 7.985 1.384 1.00 0.00 C ATOM 843 CD2 LEU A 59 -8.662 10.052 2.749 1.00 0.00 C ATOM 0 H LEU A 59 -13.094 8.424 1.619 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.767 6.772 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.715 9.245 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.196 9.280 2.778 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.094 8.058 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.286 7.959 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.683 6.967 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.408 8.549 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.615 10.002 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.755 10.667 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.249 10.493 3.555 1.00 0.00 H new ATOM 855 N VAL A 60 -10.645 5.431 3.203 1.00 0.00 N ATOM 856 CA VAL A 60 -10.630 4.595 4.395 1.00 0.00 C ATOM 857 C VAL A 60 -9.349 4.778 5.209 1.00 0.00 C ATOM 858 O VAL A 60 -9.397 4.824 6.436 1.00 0.00 O ATOM 859 CB VAL A 60 -10.830 3.099 4.058 1.00 0.00 C ATOM 860 CG1 VAL A 60 -12.217 2.866 3.483 1.00 0.00 C ATOM 861 CG2 VAL A 60 -9.771 2.609 3.089 1.00 0.00 C ATOM 0 H VAL A 60 -10.121 5.058 2.412 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.472 4.925 5.003 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.731 2.531 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.342 1.808 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -12.969 3.169 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.337 3.454 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.938 1.554 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.829 3.184 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.784 2.736 3.534 1.00 0.00 H new ATOM 871 N GLU A 61 -8.205 4.904 4.543 1.00 0.00 N ATOM 872 CA GLU A 61 -6.941 5.023 5.259 1.00 0.00 C ATOM 873 C GLU A 61 -5.939 5.898 4.512 1.00 0.00 C ATOM 874 O GLU A 61 -6.053 6.109 3.301 1.00 0.00 O ATOM 875 CB GLU A 61 -6.333 3.642 5.512 1.00 0.00 C ATOM 876 CG GLU A 61 -5.889 2.923 4.252 1.00 0.00 C ATOM 877 CD GLU A 61 -5.189 1.616 4.551 1.00 0.00 C ATOM 878 OE1 GLU A 61 -5.887 0.602 4.752 1.00 0.00 O ATOM 879 OE2 GLU A 61 -3.943 1.605 4.592 1.00 0.00 O ATOM 0 H GLU A 61 -8.127 4.926 3.526 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.160 5.503 6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.476 3.750 6.177 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.065 3.024 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.757 2.731 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.219 3.569 3.685 1.00 0.00 H new ATOM 886 N VAL A 62 -4.961 6.401 5.258 1.00 0.00 N ATOM 887 CA VAL A 62 -3.886 7.217 4.709 1.00 0.00 C ATOM 888 C VAL A 62 -2.535 6.647 5.133 1.00 0.00 C ATOM 889 O VAL A 62 -2.248 6.543 6.323 1.00 0.00 O ATOM 890 CB VAL A 62 -3.968 8.686 5.187 1.00 0.00 C ATOM 891 CG1 VAL A 62 -2.818 9.506 4.619 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.301 9.316 4.815 1.00 0.00 C ATOM 0 H VAL A 62 -4.892 6.253 6.265 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.992 7.199 3.624 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.888 8.682 6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.897 10.535 4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.870 9.082 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.862 9.489 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.326 10.348 5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.423 9.297 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.111 8.755 5.281 1.00 0.00 H new ATOM 902 N ASN A 63 -1.729 6.257 4.154 1.00 0.00 N ATOM 903 CA ASN A 63 -0.365 5.762 4.394 1.00 0.00 C ATOM 904 C ASN A 63 -0.329 4.569 5.353 1.00 0.00 C ATOM 905 O ASN A 63 0.670 4.349 6.039 1.00 0.00 O ATOM 906 CB ASN A 63 0.545 6.884 4.926 1.00 0.00 C ATOM 907 CG ASN A 63 0.946 7.885 3.853 1.00 0.00 C ATOM 908 OD1 ASN A 63 0.205 8.132 2.909 1.00 0.00 O ATOM 909 ND2 ASN A 63 2.131 8.465 3.989 1.00 0.00 N ATOM 0 H ASN A 63 -1.995 6.272 3.169 1.00 0.00 H new ATOM 0 HA ASN A 63 0.008 5.420 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.031 7.409 5.731 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.444 6.442 5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.451 9.140 3.295 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.722 8.236 4.788 1.00 0.00 H new ATOM 916 N GLY A 64 -1.412 3.802 5.408 1.00 0.00 N ATOM 917 CA GLY A 64 -1.410 2.587 6.200 1.00 0.00 C ATOM 918 C GLY A 64 -2.220 2.691 7.479 1.00 0.00 C ATOM 919 O GLY A 64 -2.486 1.677 8.127 1.00 0.00 O ATOM 0 H GLY A 64 -2.287 3.998 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.804 1.770 5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.381 2.330 6.452 1.00 0.00 H new ATOM 923 N GLU A 65 -2.604 3.904 7.864 1.00 0.00 N ATOM 924 CA GLU A 65 -3.419 4.081 9.058 1.00 0.00 C ATOM 925 C GLU A 65 -4.838 4.481 8.671 1.00 0.00 C ATOM 926 O GLU A 65 -5.042 5.316 7.789 1.00 0.00 O ATOM 927 CB GLU A 65 -2.786 5.113 10.004 1.00 0.00 C ATOM 928 CG GLU A 65 -2.581 6.485 9.388 1.00 0.00 C ATOM 929 CD GLU A 65 -1.640 7.352 10.204 1.00 0.00 C ATOM 930 OE1 GLU A 65 -0.415 7.118 10.143 1.00 0.00 O ATOM 931 OE2 GLU A 65 -2.110 8.274 10.901 1.00 0.00 O ATOM 0 H GLU A 65 -2.368 4.767 7.374 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.466 3.132 9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.418 5.215 10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.823 4.733 10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.183 6.371 8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.544 6.986 9.296 1.00 0.00 H new ATOM 938 N ASN A 66 -5.814 3.878 9.335 1.00 0.00 N ATOM 939 CA ASN A 66 -7.216 4.058 8.980 1.00 0.00 C ATOM 940 C ASN A 66 -7.730 5.417 9.436 1.00 0.00 C ATOM 941 O ASN A 66 -7.598 5.782 10.603 1.00 0.00 O ATOM 942 CB ASN A 66 -8.061 2.943 9.598 1.00 0.00 C ATOM 943 CG ASN A 66 -9.528 3.046 9.227 1.00 0.00 C ATOM 944 OD1 ASN A 66 -10.303 3.744 10.045 1.00 0.00 O flip ATOM 945 ND2 ASN A 66 -9.964 2.497 8.221 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.660 3.255 10.128 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.299 4.012 7.894 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.675 1.977 9.272 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.962 2.976 10.683 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.336 1.968 7.616 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.955 2.569 7.989 1.00 0.00 H new ATOM 952 N VAL A 67 -8.340 6.149 8.515 1.00 0.00 N ATOM 953 CA VAL A 67 -8.792 7.503 8.792 1.00 0.00 C ATOM 954 C VAL A 67 -10.309 7.633 8.674 1.00 0.00 C ATOM 955 O VAL A 67 -10.838 8.741 8.712 1.00 0.00 O ATOM 956 CB VAL A 67 -8.118 8.528 7.857 1.00 0.00 C ATOM 957 CG1 VAL A 67 -6.610 8.522 8.058 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.470 8.247 6.403 1.00 0.00 C ATOM 0 H VAL A 67 -8.533 5.826 7.567 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.503 7.717 9.821 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.494 9.520 8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.151 9.251 7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.380 8.781 9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.217 7.530 7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.984 8.982 5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.129 7.248 6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.550 8.309 6.272 1.00 0.00 H new ATOM 968 N GLU A 68 -11.004 6.501 8.538 1.00 0.00 N ATOM 969 CA GLU A 68 -12.471 6.509 8.496 1.00 0.00 C ATOM 970 C GLU A 68 -13.038 7.187 9.735 1.00 0.00 C ATOM 971 O GLU A 68 -14.005 7.937 9.661 1.00 0.00 O ATOM 972 CB GLU A 68 -13.042 5.092 8.444 1.00 0.00 C ATOM 973 CG GLU A 68 -12.671 4.284 7.216 1.00 0.00 C ATOM 974 CD GLU A 68 -13.363 2.937 7.217 1.00 0.00 C ATOM 975 OE1 GLU A 68 -13.341 2.258 8.271 1.00 0.00 O ATOM 976 OE2 GLU A 68 -13.954 2.560 6.185 1.00 0.00 O ATOM 0 H GLU A 68 -10.582 5.576 8.456 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.754 7.052 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.706 4.551 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.129 5.154 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.946 4.836 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.591 4.141 7.184 1.00 0.00 H new ATOM 983 N LYS A 69 -12.412 6.923 10.875 1.00 0.00 N ATOM 984 CA LYS A 69 -12.938 7.369 12.157 1.00 0.00 C ATOM 985 C LYS A 69 -12.329 8.703 12.565 1.00 0.00 C ATOM 986 O LYS A 69 -12.443 9.136 13.714 1.00 0.00 O ATOM 987 CB LYS A 69 -12.704 6.305 13.231 1.00 0.00 C ATOM 988 CG LYS A 69 -13.585 5.075 13.071 1.00 0.00 C ATOM 989 CD LYS A 69 -13.052 4.103 12.024 1.00 0.00 C ATOM 990 CE LYS A 69 -13.974 2.900 11.865 1.00 0.00 C ATOM 991 NZ LYS A 69 -13.432 1.889 10.914 1.00 0.00 N ATOM 0 H LYS A 69 -11.538 6.401 10.937 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.013 7.517 12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.658 5.999 13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.883 6.745 14.212 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.664 4.563 14.030 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.591 5.387 12.792 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.951 4.615 11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.056 3.765 12.312 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.128 2.433 12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.950 3.237 11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.773 0.943 11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.751 2.113 9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.393 1.904 10.947 1.00 0.00 H new ATOM 1005 N GLU A 70 -11.673 9.334 11.611 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.188 10.695 11.771 1.00 0.00 C ATOM 1007 C GLU A 70 -12.277 11.649 11.312 1.00 0.00 C ATOM 1008 O GLU A 70 -13.047 11.317 10.414 1.00 0.00 O ATOM 1009 CB GLU A 70 -9.929 10.910 10.930 1.00 0.00 C ATOM 1010 CG GLU A 70 -8.775 10.000 11.304 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.124 10.391 12.615 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -7.241 11.279 12.605 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -8.483 9.816 13.659 1.00 0.00 O ATOM 0 H GLU A 70 -11.460 8.920 10.703 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.941 10.877 12.817 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.175 10.755 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.609 11.947 11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.135 8.973 11.374 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.028 10.023 10.511 1.00 0.00 H new ATOM 1020 N THR A 71 -12.359 12.820 11.925 1.00 0.00 N ATOM 1021 CA THR A 71 -13.352 13.799 11.521 1.00 0.00 C ATOM 1022 C THR A 71 -13.057 14.278 10.106 1.00 0.00 C ATOM 1023 O THR A 71 -11.923 14.147 9.642 1.00 0.00 O ATOM 1024 CB THR A 71 -13.387 15.018 12.466 1.00 0.00 C ATOM 1025 OG1 THR A 71 -12.237 15.843 12.247 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.418 14.574 13.922 1.00 0.00 C ATOM 0 H THR A 71 -11.757 13.112 12.695 1.00 0.00 H new ATOM 0 HA THR A 71 -14.325 13.309 11.565 1.00 0.00 H new ATOM 0 HB THR A 71 -14.292 15.586 12.251 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.210 16.552 12.923 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.442 15.451 14.569 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.306 13.968 14.099 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.527 13.985 14.142 1.00 0.00 H new ATOM 1034 N HIS A 72 -14.044 14.850 9.429 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.862 15.268 8.042 1.00 0.00 C ATOM 1036 C HIS A 72 -12.658 16.196 7.900 1.00 0.00 C ATOM 1037 O HIS A 72 -11.868 16.054 6.967 1.00 0.00 O ATOM 1038 CB HIS A 72 -15.134 15.950 7.519 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.964 16.637 6.192 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.368 16.042 5.105 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -15.319 17.879 5.788 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -14.364 16.889 4.093 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -14.940 18.010 4.474 1.00 0.00 N ATOM 0 H HIS A 72 -14.971 15.035 9.812 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.671 14.378 7.442 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.923 15.203 7.430 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -15.469 16.682 8.254 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -15.810 18.630 6.389 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.955 16.694 3.113 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.081 18.836 3.892 1.00 0.00 H new ATOM 1052 N GLN A 73 -12.511 17.120 8.837 1.00 0.00 N ATOM 1053 CA GLN A 73 -11.402 18.060 8.813 1.00 0.00 C ATOM 1054 C GLN A 73 -10.077 17.332 9.049 1.00 0.00 C ATOM 1055 O GLN A 73 -9.083 17.593 8.371 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.609 19.143 9.872 1.00 0.00 C ATOM 1057 CG GLN A 73 -10.703 20.352 9.705 1.00 0.00 C ATOM 1058 CD GLN A 73 -10.911 21.052 8.375 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -11.766 21.931 8.249 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -10.118 20.688 7.381 1.00 0.00 N ATOM 0 H GLN A 73 -13.148 17.239 9.625 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.365 18.531 7.831 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.647 19.473 9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.441 18.709 10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.889 21.056 10.516 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.663 20.037 9.788 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.422 19.956 7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.202 21.139 6.470 1.00 0.00 H new ATOM 1069 N GLN A 74 -10.080 16.404 10.004 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.871 15.672 10.369 1.00 0.00 C ATOM 1071 C GLN A 74 -8.404 14.761 9.241 1.00 0.00 C ATOM 1072 O GLN A 74 -7.203 14.566 9.054 1.00 0.00 O ATOM 1073 CB GLN A 74 -9.087 14.863 11.652 1.00 0.00 C ATOM 1074 CG GLN A 74 -9.274 15.724 12.894 1.00 0.00 C ATOM 1075 CD GLN A 74 -8.054 16.566 13.229 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -7.282 16.954 12.353 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.879 16.867 14.502 1.00 0.00 N ATOM 0 H GLN A 74 -10.908 16.142 10.539 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.089 16.409 10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.963 14.227 11.527 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.233 14.203 11.803 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.131 16.381 12.747 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.507 15.081 13.742 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.539 16.528 15.202 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.083 17.439 14.786 1.00 0.00 H new ATOM 1086 N VAL A 75 -9.349 14.199 8.495 1.00 0.00 N ATOM 1087 CA VAL A 75 -9.017 13.364 7.346 1.00 0.00 C ATOM 1088 C VAL A 75 -8.199 14.159 6.331 1.00 0.00 C ATOM 1089 O VAL A 75 -7.238 13.650 5.751 1.00 0.00 O ATOM 1090 CB VAL A 75 -10.283 12.807 6.658 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.917 11.955 5.457 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -11.112 11.992 7.632 1.00 0.00 C ATOM 0 H VAL A 75 -10.349 14.306 8.665 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.430 12.523 7.716 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.875 13.657 6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.826 11.575 4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.365 12.559 4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.297 11.118 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.998 11.610 7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.519 11.157 8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.416 12.622 8.468 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.572 15.419 6.143 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.876 16.290 5.209 1.00 0.00 C ATOM 1104 C VAL A 76 -6.447 16.540 5.686 1.00 0.00 C ATOM 1105 O VAL A 76 -5.501 16.496 4.898 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.615 17.635 5.039 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.963 18.491 3.962 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.083 17.394 4.720 1.00 0.00 C ATOM 0 H VAL A 76 -9.354 15.860 6.627 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.851 15.790 4.241 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.547 18.180 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.506 19.431 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.928 18.696 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.987 17.959 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.592 18.351 4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.165 16.824 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.545 16.835 5.534 1.00 0.00 H new ATOM 1118 N SER A 77 -6.297 16.773 6.986 1.00 0.00 N ATOM 1119 CA SER A 77 -4.981 16.971 7.581 1.00 0.00 C ATOM 1120 C SER A 77 -4.106 15.730 7.398 1.00 0.00 C ATOM 1121 O SER A 77 -2.893 15.838 7.208 1.00 0.00 O ATOM 1122 CB SER A 77 -5.118 17.309 9.063 1.00 0.00 C ATOM 1123 OG SER A 77 -5.918 18.464 9.244 1.00 0.00 O ATOM 0 H SER A 77 -7.071 16.829 7.648 1.00 0.00 H new ATOM 0 HA SER A 77 -4.498 17.805 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.562 16.467 9.593 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.131 17.473 9.496 1.00 0.00 H new ATOM 0 HG SER A 77 -5.995 18.662 10.201 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.730 14.553 7.446 1.00 0.00 N ATOM 1130 CA ARG A 78 -4.029 13.297 7.210 1.00 0.00 C ATOM 1131 C ARG A 78 -3.415 13.268 5.815 1.00 0.00 C ATOM 1132 O ARG A 78 -2.249 12.917 5.650 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.996 12.128 7.373 1.00 0.00 C ATOM 1134 CG ARG A 78 -5.491 11.948 8.794 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.404 11.380 9.687 1.00 0.00 C ATOM 1136 NE ARG A 78 -4.845 11.243 11.073 1.00 0.00 N ATOM 1137 CZ ARG A 78 -4.028 11.274 12.127 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -2.733 11.510 11.967 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -4.515 11.093 13.345 1.00 0.00 N ATOM 0 H ARG A 78 -5.724 14.446 7.647 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.225 13.211 7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.852 12.280 6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.503 11.211 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.826 12.907 9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.354 11.282 8.799 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.096 10.406 9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.529 12.028 9.648 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.842 11.115 11.246 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.355 11.669 11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.115 11.532 12.778 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.513 10.930 13.476 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.892 11.116 14.152 1.00 0.00 H new ATOM 1153 N ILE A 79 -4.204 13.655 4.819 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.747 13.654 3.429 1.00 0.00 C ATOM 1155 C ILE A 79 -2.681 14.726 3.211 1.00 0.00 C ATOM 1156 O ILE A 79 -1.711 14.527 2.474 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.918 13.906 2.454 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -6.104 13.002 2.790 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.472 13.669 1.019 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.339 13.286 1.959 1.00 0.00 C ATOM 0 H ILE A 79 -5.164 13.974 4.946 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.323 12.670 3.229 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.232 14.944 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.810 11.962 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.352 13.119 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.308 13.850 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.655 14.348 0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.133 12.639 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.139 12.607 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.659 14.315 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.109 13.141 0.904 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.870 15.865 3.868 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.948 16.989 3.758 1.00 0.00 C ATOM 1174 C ARG A 80 -0.611 16.684 4.429 1.00 0.00 C ATOM 1175 O ARG A 80 0.401 17.306 4.112 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.555 18.260 4.357 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.754 18.785 3.585 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.191 20.152 4.087 1.00 0.00 C ATOM 1179 NE ARG A 80 -3.152 21.164 3.890 1.00 0.00 N ATOM 1180 CZ ARG A 80 -3.353 22.478 4.004 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -4.545 22.945 4.359 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -2.351 23.321 3.783 1.00 0.00 N ATOM 0 H ARG A 80 -3.662 16.035 4.488 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.768 17.154 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.855 18.059 5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.790 19.035 4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.505 18.849 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.582 18.082 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.098 20.457 3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.439 20.087 5.147 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.214 20.844 3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.311 22.298 4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.694 23.950 4.445 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.431 22.963 3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.502 24.326 3.869 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.615 15.746 5.374 1.00 0.00 N ATOM 1197 CA ALA A 81 0.596 15.381 6.116 1.00 0.00 C ATOM 1198 C ALA A 81 1.687 14.841 5.191 1.00 0.00 C ATOM 1199 O ALA A 81 2.857 14.767 5.569 1.00 0.00 O ATOM 1200 CB ALA A 81 0.270 14.356 7.193 1.00 0.00 C ATOM 0 H ALA A 81 -1.446 15.221 5.647 1.00 0.00 H new ATOM 0 HA ALA A 81 0.977 16.288 6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.179 14.096 7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.458 14.776 7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.145 13.461 6.730 1.00 0.00 H new ATOM 1206 N ALA A 82 1.288 14.456 3.989 1.00 0.00 N ATOM 1207 CA ALA A 82 2.219 13.974 2.986 1.00 0.00 C ATOM 1208 C ALA A 82 2.925 15.140 2.305 1.00 0.00 C ATOM 1209 O ALA A 82 2.328 16.194 2.065 1.00 0.00 O ATOM 1210 CB ALA A 82 1.485 13.134 1.958 1.00 0.00 C ATOM 0 H ALA A 82 0.315 14.469 3.684 1.00 0.00 H new ATOM 0 HA ALA A 82 2.971 13.357 3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.191 12.776 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.017 12.282 2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.718 13.739 1.474 1.00 0.00 H new ATOM 1216 N LEU A 83 4.197 14.943 1.998 1.00 0.00 N ATOM 1217 CA LEU A 83 4.995 15.977 1.362 1.00 0.00 C ATOM 1218 C LEU A 83 4.753 15.995 -0.143 1.00 0.00 C ATOM 1219 O LEU A 83 4.110 16.902 -0.667 1.00 0.00 O ATOM 1220 CB LEU A 83 6.483 15.757 1.651 1.00 0.00 C ATOM 1221 CG LEU A 83 6.872 15.759 3.133 1.00 0.00 C ATOM 1222 CD1 LEU A 83 8.349 15.445 3.292 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.540 17.099 3.774 1.00 0.00 C ATOM 0 H LEU A 83 4.699 14.074 2.180 1.00 0.00 H new ATOM 0 HA LEU A 83 4.694 16.940 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.783 14.804 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.053 16.534 1.142 1.00 0.00 H new ATOM 0 HG LEU A 83 6.296 14.986 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.610 15.450 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.559 14.462 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.939 16.197 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.824 17.079 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.088 17.892 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.470 17.287 3.691 1.00 0.00 H new ATOM 1235 N ASN A 84 5.244 14.971 -0.826 1.00 0.00 N ATOM 1236 CA ASN A 84 5.169 14.918 -2.281 1.00 0.00 C ATOM 1237 C ASN A 84 4.367 13.707 -2.744 1.00 0.00 C ATOM 1238 O ASN A 84 3.838 13.689 -3.855 1.00 0.00 O ATOM 1239 CB ASN A 84 6.579 14.876 -2.884 1.00 0.00 C ATOM 1240 CG ASN A 84 7.252 13.520 -2.732 1.00 0.00 C ATOM 1241 OD1 ASN A 84 7.871 13.229 -1.707 1.00 0.00 O ATOM 1242 ND2 ASN A 84 7.159 12.695 -3.762 1.00 0.00 N ATOM 0 H ASN A 84 5.699 14.165 -0.397 1.00 0.00 H new ATOM 0 HA ASN A 84 4.660 15.818 -2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.523 15.131 -3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.195 15.637 -2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.609 11.780 -3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.637 12.973 -4.593 1.00 0.00 H new ATOM 1249 N ALA A 85 4.295 12.696 -1.894 1.00 0.00 N ATOM 1250 CA ALA A 85 3.562 11.480 -2.212 1.00 0.00 C ATOM 1251 C ALA A 85 2.743 11.014 -1.016 1.00 0.00 C ATOM 1252 O ALA A 85 3.191 11.110 0.128 1.00 0.00 O ATOM 1253 CB ALA A 85 4.521 10.386 -2.658 1.00 0.00 C ATOM 0 H ALA A 85 4.737 12.693 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 85 2.876 11.698 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.958 9.482 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.063 10.716 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.230 10.175 -1.857 1.00 0.00 H new ATOM 1259 N VAL A 86 1.547 10.514 -1.284 1.00 0.00 N ATOM 1260 CA VAL A 86 0.654 10.051 -0.232 1.00 0.00 C ATOM 1261 C VAL A 86 -0.057 8.775 -0.672 1.00 0.00 C ATOM 1262 O VAL A 86 -0.413 8.627 -1.839 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.392 11.132 0.133 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.311 11.438 -1.043 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.196 10.716 1.355 1.00 0.00 C ATOM 0 H VAL A 86 1.170 10.418 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 86 1.257 9.846 0.653 1.00 0.00 H new ATOM 0 HB VAL A 86 0.149 12.047 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.033 12.201 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.719 11.801 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.840 10.531 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.925 11.491 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.716 9.781 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.525 10.577 2.202 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.245 7.851 0.252 1.00 0.00 N ATOM 1276 CA ARG A 87 -0.957 6.623 -0.043 1.00 0.00 C ATOM 1277 C ARG A 87 -2.395 6.730 0.429 1.00 0.00 C ATOM 1278 O ARG A 87 -2.665 6.725 1.629 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.281 5.433 0.631 1.00 0.00 C ATOM 1280 CG ARG A 87 0.998 4.982 -0.050 1.00 0.00 C ATOM 1281 CD ARG A 87 1.702 3.922 0.775 1.00 0.00 C ATOM 1282 NE ARG A 87 2.577 3.074 -0.032 1.00 0.00 N ATOM 1283 CZ ARG A 87 3.305 2.078 0.469 1.00 0.00 C ATOM 1284 NH1 ARG A 87 3.368 1.890 1.780 1.00 0.00 N ATOM 1285 NH2 ARG A 87 3.990 1.285 -0.342 1.00 0.00 N ATOM 0 H ARG A 87 0.086 7.928 1.214 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.942 6.468 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.057 5.694 1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.981 4.598 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.769 4.586 -1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.660 5.836 -0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.289 4.405 1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.958 3.301 1.273 1.00 0.00 H new ATOM 0 HE ARG A 87 2.633 3.255 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.858 2.510 2.409 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.927 1.126 2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.960 1.438 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.548 0.522 0.042 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.308 6.819 -0.517 1.00 0.00 N ATOM 1300 CA LEU A 88 -4.720 6.917 -0.205 1.00 0.00 C ATOM 1301 C LEU A 88 -5.436 5.655 -0.644 1.00 0.00 C ATOM 1302 O LEU A 88 -5.348 5.252 -1.805 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.355 8.124 -0.900 1.00 0.00 C ATOM 1304 CG LEU A 88 -4.723 9.484 -0.589 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.525 10.596 -1.242 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -4.639 9.708 0.914 1.00 0.00 C ATOM 0 H LEU A 88 -3.096 6.825 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.818 7.042 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.312 7.963 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.409 8.164 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.711 9.494 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.066 11.558 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.540 10.448 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.546 10.581 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.187 10.680 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.641 9.679 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.029 8.925 1.365 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.121 5.019 0.283 1.00 0.00 N ATOM 1319 CA LEU A 89 -6.916 3.860 -0.054 1.00 0.00 C ATOM 1320 C LEU A 89 -8.374 4.262 -0.150 1.00 0.00 C ATOM 1321 O LEU A 89 -8.935 4.849 0.779 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.730 2.749 0.969 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.448 1.443 0.636 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.927 0.846 -0.660 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.285 0.458 1.770 1.00 0.00 C ATOM 0 H LEU A 89 -6.143 5.283 1.268 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.584 3.474 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.664 2.545 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.082 3.104 1.938 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.508 1.661 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.457 -0.083 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.089 1.550 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.861 0.642 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.801 -0.470 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.226 0.254 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.711 0.878 2.681 1.00 0.00 H new ATOM 1337 N VAL A 90 -8.982 3.942 -1.275 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.331 4.392 -1.563 1.00 0.00 C ATOM 1339 C VAL A 90 -11.219 3.220 -1.947 1.00 0.00 C ATOM 1340 O VAL A 90 -10.739 2.206 -2.460 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.345 5.446 -2.694 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.737 6.755 -2.213 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.606 4.934 -3.926 1.00 0.00 C ATOM 0 H VAL A 90 -8.562 3.370 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.720 4.854 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.383 5.628 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.756 7.484 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.313 7.135 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.706 6.585 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.630 5.694 -4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.571 4.715 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.088 4.026 -4.288 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.509 3.362 -1.683 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.475 2.322 -1.990 1.00 0.00 C ATOM 1355 C VAL A 91 -14.829 2.939 -2.344 1.00 0.00 C ATOM 1356 O VAL A 91 -15.260 3.908 -1.714 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.634 1.345 -0.793 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.198 2.051 0.437 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.500 0.151 -1.169 1.00 0.00 C ATOM 0 H VAL A 91 -12.912 4.195 -1.253 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.106 1.761 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.639 0.979 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.295 1.336 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.525 2.854 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.177 2.467 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.593 -0.515 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.489 0.499 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.039 -0.387 -1.997 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.471 2.406 -3.377 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.842 2.785 -3.697 1.00 0.00 C ATOM 1371 C ASP A 92 -17.752 2.367 -2.559 1.00 0.00 C ATOM 1372 O ASP A 92 -17.771 1.199 -2.178 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.324 2.108 -4.990 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.814 2.771 -6.253 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -17.480 3.707 -6.749 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -15.771 2.333 -6.780 1.00 0.00 O ATOM 0 H ASP A 92 -15.066 1.712 -4.005 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.871 3.865 -3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.006 1.066 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.414 2.108 -5.005 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.517 3.314 -1.999 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.463 3.027 -0.917 1.00 0.00 C ATOM 1383 C PRO A 93 -20.478 1.960 -1.319 1.00 0.00 C ATOM 1384 O PRO A 93 -21.056 1.283 -0.469 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.153 4.371 -0.662 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.223 5.396 -1.214 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.513 4.739 -2.364 1.00 0.00 C ATOM 0 HA PRO A 93 -18.965 2.631 -0.032 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.125 4.415 -1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.327 4.529 0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.769 6.279 -1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.513 5.727 -0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.030 4.913 -3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.499 5.121 -2.481 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.691 1.824 -2.624 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.548 0.775 -3.160 1.00 0.00 C ATOM 1397 C GLU A 94 -20.878 -0.585 -2.984 1.00 0.00 C ATOM 1398 O GLU A 94 -21.483 -1.537 -2.497 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.805 1.016 -4.646 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.186 2.446 -4.979 1.00 0.00 C ATOM 1401 CD GLU A 94 -22.227 2.702 -6.468 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -21.251 2.347 -7.164 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -23.220 3.281 -6.950 1.00 0.00 O ATOM 0 H GLU A 94 -20.279 2.431 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.495 0.790 -2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.910 0.748 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.601 0.351 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.162 2.668 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -21.471 3.126 -4.516 1.00 0.00 H new ATOM 1410 N THR A 95 -19.610 -0.647 -3.368 1.00 0.00 N ATOM 1411 CA THR A 95 -18.841 -1.880 -3.312 1.00 0.00 C ATOM 1412 C THR A 95 -18.524 -2.255 -1.867 1.00 0.00 C ATOM 1413 O THR A 95 -18.602 -3.421 -1.488 1.00 0.00 O ATOM 1414 CB THR A 95 -17.524 -1.732 -4.096 1.00 0.00 C ATOM 1415 OG1 THR A 95 -17.783 -1.119 -5.365 1.00 0.00 O ATOM 1416 CG2 THR A 95 -16.861 -3.083 -4.308 1.00 0.00 C ATOM 0 H THR A 95 -19.088 0.153 -3.726 1.00 0.00 H new ATOM 0 HA THR A 95 -19.444 -2.668 -3.763 1.00 0.00 H new ATOM 0 HB THR A 95 -16.848 -1.104 -3.515 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.943 -1.025 -5.860 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.933 -2.950 -4.864 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.643 -3.537 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.531 -3.733 -4.871 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.209 -1.245 -1.063 1.00 0.00 N ATOM 1425 CA ASP A 96 -17.803 -1.444 0.326 1.00 0.00 C ATOM 1426 C ASP A 96 -18.875 -2.171 1.126 1.00 0.00 C ATOM 1427 O ASP A 96 -18.566 -2.926 2.044 1.00 0.00 O ATOM 1428 CB ASP A 96 -17.495 -0.095 0.977 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.277 -0.197 2.474 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.166 -0.573 2.901 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -18.211 0.142 3.232 1.00 0.00 O ATOM 0 H ASP A 96 -18.227 -0.267 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.907 -2.065 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.605 0.331 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.317 0.593 0.781 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.135 -1.963 0.768 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.231 -2.613 1.466 1.00 0.00 C ATOM 1438 C GLU A 97 -21.141 -4.135 1.316 1.00 0.00 C ATOM 1439 O GLU A 97 -21.435 -4.877 2.251 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.575 -2.097 0.964 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.737 -2.521 1.840 1.00 0.00 C ATOM 1442 CD GLU A 97 -25.037 -1.868 1.440 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.305 -0.739 1.901 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.801 -2.486 0.675 1.00 0.00 O ATOM 0 H GLU A 97 -20.420 -1.352 0.002 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.151 -2.371 2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.544 -1.009 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.741 -2.459 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.849 -3.604 1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -23.514 -2.272 2.878 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.705 -4.590 0.142 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.482 -6.009 -0.099 1.00 0.00 C ATOM 1453 C GLN A 98 -19.307 -6.480 0.743 1.00 0.00 C ATOM 1454 O GLN A 98 -19.341 -7.540 1.364 1.00 0.00 O ATOM 1455 CB GLN A 98 -20.202 -6.250 -1.585 1.00 0.00 C ATOM 1456 CG GLN A 98 -19.768 -7.668 -1.914 1.00 0.00 C ATOM 1457 CD GLN A 98 -20.797 -8.708 -1.524 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -20.760 -9.264 -0.428 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -21.742 -8.957 -2.407 1.00 0.00 N ATOM 0 H GLN A 98 -20.499 -3.991 -0.658 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.373 -6.572 0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -21.101 -6.015 -2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -19.426 -5.559 -1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -19.571 -7.743 -2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -18.830 -7.883 -1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -21.739 -8.476 -3.306 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -22.476 -9.631 -2.192 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.278 -5.651 0.774 1.00 0.00 N ATOM 1469 CA LEU A 99 -17.082 -5.919 1.552 1.00 0.00 C ATOM 1470 C LEU A 99 -17.425 -6.032 3.037 1.00 0.00 C ATOM 1471 O LEU A 99 -16.801 -6.801 3.774 1.00 0.00 O ATOM 1472 CB LEU A 99 -16.059 -4.805 1.312 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.294 -4.856 -0.022 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -14.147 -5.840 0.072 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -16.189 -5.235 -1.192 1.00 0.00 C ATOM 0 H LEU A 99 -18.249 -4.771 0.259 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.651 -6.869 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.576 -3.847 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.332 -4.828 2.124 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.913 -3.852 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.613 -5.868 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.465 -5.529 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -14.537 -6.832 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.600 -5.256 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -16.621 -6.220 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.988 -4.501 -1.292 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.428 -5.270 3.466 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.933 -5.353 4.832 1.00 0.00 C ATOM 1489 C GLN A 100 -19.566 -6.718 5.089 1.00 0.00 C ATOM 1490 O GLN A 100 -19.459 -7.257 6.191 1.00 0.00 O ATOM 1491 CB GLN A 100 -19.968 -4.260 5.102 1.00 0.00 C ATOM 1492 CG GLN A 100 -19.411 -2.848 5.048 1.00 0.00 C ATOM 1493 CD GLN A 100 -20.472 -1.805 5.332 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -21.424 -2.056 6.072 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -20.323 -0.629 4.748 1.00 0.00 N ATOM 0 H GLN A 100 -18.909 -4.585 2.883 1.00 0.00 H new ATOM 0 HA GLN A 100 -18.086 -5.214 5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -20.773 -4.349 4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -20.409 -4.427 6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.603 -2.750 5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.979 -2.667 4.064 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.521 -0.459 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.010 0.109 4.904 1.00 0.00 H new ATOM 1504 N LYS A 101 -20.232 -7.269 4.070 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.860 -8.588 4.190 1.00 0.00 C ATOM 1506 C LYS A 101 -19.781 -9.650 4.349 1.00 0.00 C ATOM 1507 O LYS A 101 -19.939 -10.621 5.093 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.713 -8.931 2.957 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.550 -7.782 2.408 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.497 -7.199 3.445 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.355 -6.099 2.835 1.00 0.00 C ATOM 1512 NZ LYS A 101 -25.112 -5.347 3.865 1.00 0.00 N ATOM 0 H LYS A 101 -20.350 -6.826 3.159 1.00 0.00 H new ATOM 0 HA LYS A 101 -21.513 -8.565 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -21.053 -9.289 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -22.379 -9.755 3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -21.887 -6.996 2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -23.126 -8.134 1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -24.137 -7.987 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.925 -6.799 4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -23.719 -5.411 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -25.052 -6.537 2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.682 -4.608 3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -25.738 -5.998 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -24.447 -4.906 4.532 1.00 0.00 H new ATOM 1526 N LEU A 102 -18.683 -9.450 3.631 1.00 0.00 N ATOM 1527 CA LEU A 102 -17.549 -10.358 3.687 1.00 0.00 C ATOM 1528 C LEU A 102 -16.862 -10.246 5.044 1.00 0.00 C ATOM 1529 O LEU A 102 -16.557 -11.250 5.688 1.00 0.00 O ATOM 1530 CB LEU A 102 -16.557 -10.048 2.562 1.00 0.00 C ATOM 1531 CG LEU A 102 -17.180 -9.859 1.173 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -16.097 -9.624 0.134 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -18.038 -11.059 0.790 1.00 0.00 C ATOM 0 H LEU A 102 -18.556 -8.660 2.999 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.909 -11.378 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -16.009 -9.143 2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.829 -10.857 2.509 1.00 0.00 H new ATOM 0 HG LEU A 102 -17.826 -8.981 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -16.556 -9.492 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -15.532 -8.729 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -15.426 -10.482 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -18.467 -10.898 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -17.421 -11.958 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -18.840 -11.180 1.518 1.00 0.00 H new ATOM 1545 N GLY A 103 -16.623 -9.012 5.474 1.00 0.00 N ATOM 1546 CA GLY A 103 -16.084 -8.769 6.799 1.00 0.00 C ATOM 1547 C GLY A 103 -14.572 -8.695 6.820 1.00 0.00 C ATOM 1548 O GLY A 103 -13.994 -7.955 7.618 1.00 0.00 O ATOM 0 H GLY A 103 -16.794 -8.170 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.493 -7.836 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.412 -9.563 7.470 1.00 0.00 H new ATOM 1552 N VAL A 104 -13.931 -9.460 5.948 1.00 0.00 N ATOM 1553 CA VAL A 104 -12.474 -9.506 5.885 1.00 0.00 C ATOM 1554 C VAL A 104 -11.897 -8.172 5.401 1.00 0.00 C ATOM 1555 O VAL A 104 -12.387 -7.578 4.434 1.00 0.00 O ATOM 1556 CB VAL A 104 -11.992 -10.660 4.971 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -12.561 -10.521 3.564 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -10.469 -10.733 4.930 1.00 0.00 C ATOM 0 H VAL A 104 -14.399 -10.061 5.270 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.110 -9.690 6.896 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.363 -11.592 5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.206 -11.345 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.650 -10.544 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -12.235 -9.575 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.161 -11.553 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.070 -9.795 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.086 -10.904 5.936 1.00 0.00 H new ATOM 1568 N GLN A 105 -10.863 -7.699 6.090 1.00 0.00 N ATOM 1569 CA GLN A 105 -10.190 -6.463 5.716 1.00 0.00 C ATOM 1570 C GLN A 105 -9.234 -6.709 4.553 1.00 0.00 C ATOM 1571 O GLN A 105 -8.008 -6.715 4.713 1.00 0.00 O ATOM 1572 CB GLN A 105 -9.441 -5.881 6.917 1.00 0.00 C ATOM 1573 CG GLN A 105 -10.366 -5.419 8.033 1.00 0.00 C ATOM 1574 CD GLN A 105 -11.135 -4.161 7.671 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -10.640 -3.305 6.945 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -12.357 -4.046 8.167 1.00 0.00 N ATOM 0 H GLN A 105 -10.473 -8.157 6.914 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.940 -5.740 5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.756 -6.633 7.309 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.834 -5.039 6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -11.071 -6.216 8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.780 -5.235 8.933 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.735 -4.779 8.767 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.921 -3.224 7.949 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.817 -6.905 3.377 1.00 0.00 N ATOM 1586 CA VAL A 106 -9.062 -7.173 2.159 1.00 0.00 C ATOM 1587 C VAL A 106 -8.191 -5.973 1.792 1.00 0.00 C ATOM 1588 O VAL A 106 -7.187 -6.106 1.091 1.00 0.00 O ATOM 1589 CB VAL A 106 -10.017 -7.506 0.986 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -10.868 -6.299 0.615 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -9.251 -8.014 -0.225 1.00 0.00 C ATOM 0 H VAL A 106 -10.828 -6.883 3.240 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.419 -8.033 2.344 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.681 -8.303 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.529 -6.560 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.464 -5.996 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.220 -5.476 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.951 -8.238 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.548 -7.250 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.704 -8.918 0.043 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.574 -4.814 2.315 1.00 0.00 N ATOM 1602 CA ARG A 107 -7.887 -3.558 2.042 1.00 0.00 C ATOM 1603 C ARG A 107 -6.446 -3.564 2.549 1.00 0.00 C ATOM 1604 O ARG A 107 -5.633 -2.753 2.117 1.00 0.00 O ATOM 1605 CB ARG A 107 -8.650 -2.401 2.685 1.00 0.00 C ATOM 1606 CG ARG A 107 -9.099 -2.684 4.108 1.00 0.00 C ATOM 1607 CD ARG A 107 -9.496 -1.411 4.835 1.00 0.00 C ATOM 1608 NE ARG A 107 -8.335 -0.718 5.386 1.00 0.00 N ATOM 1609 CZ ARG A 107 -8.155 -0.501 6.685 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -9.052 -0.938 7.569 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -7.065 0.130 7.094 1.00 0.00 N ATOM 0 H ARG A 107 -9.373 -4.719 2.942 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.855 -3.433 0.960 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.017 -1.514 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -9.524 -2.171 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.943 -3.373 4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.294 -3.178 4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -10.022 -0.749 4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -10.191 -1.653 5.639 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.623 -0.382 4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.880 -1.441 7.249 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.910 -0.770 8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.373 0.445 6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.918 0.301 8.089 1.00 0.00 H new ATOM 1625 N GLU A 108 -6.135 -4.467 3.466 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.776 -4.583 3.974 1.00 0.00 C ATOM 1627 C GLU A 108 -4.215 -5.979 3.748 1.00 0.00 C ATOM 1628 O GLU A 108 -3.186 -6.147 3.094 1.00 0.00 O ATOM 1629 CB GLU A 108 -4.715 -4.265 5.468 1.00 0.00 C ATOM 1630 CG GLU A 108 -4.790 -2.787 5.797 1.00 0.00 C ATOM 1631 CD GLU A 108 -4.466 -2.524 7.255 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -3.275 -2.603 7.623 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -5.397 -2.273 8.049 1.00 0.00 O ATOM 0 H GLU A 108 -6.799 -5.126 3.872 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.174 -3.860 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.535 -4.779 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.788 -4.669 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.094 -2.237 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.789 -2.414 5.572 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.915 -6.976 4.280 1.00 0.00 N ATOM 1641 CA GLU A 109 -4.389 -8.334 4.361 1.00 0.00 C ATOM 1642 C GLU A 109 -4.055 -8.909 2.984 1.00 0.00 C ATOM 1643 O GLU A 109 -2.957 -9.416 2.776 1.00 0.00 O ATOM 1644 CB GLU A 109 -5.387 -9.234 5.092 1.00 0.00 C ATOM 1645 CG GLU A 109 -4.791 -10.553 5.556 1.00 0.00 C ATOM 1646 CD GLU A 109 -5.727 -11.326 6.462 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -6.267 -10.721 7.416 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -5.923 -12.533 6.230 1.00 0.00 O ATOM 0 H GLU A 109 -5.854 -6.867 4.664 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.456 -8.295 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.781 -8.699 5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.230 -9.438 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.546 -11.163 4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.857 -10.360 6.084 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.986 -8.817 2.045 1.00 0.00 N ATOM 1656 CA LEU A 110 -4.760 -9.353 0.706 1.00 0.00 C ATOM 1657 C LEU A 110 -3.930 -8.389 -0.135 1.00 0.00 C ATOM 1658 O LEU A 110 -3.145 -8.807 -0.985 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.090 -9.652 0.008 1.00 0.00 C ATOM 1660 CG LEU A 110 -5.960 -10.297 -1.376 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -5.256 -11.641 -1.275 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -7.328 -10.456 -2.023 1.00 0.00 C ATOM 0 H LEU A 110 -5.898 -8.381 2.181 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.205 -10.285 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.679 -10.311 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.649 -8.722 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.358 -9.641 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.173 -12.084 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.260 -11.499 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.830 -12.305 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.215 -10.916 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.956 -11.089 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.795 -9.477 -2.132 1.00 0.00 H new ATOM 1850 N THR B 3 -13.269 21.009 1.887 1.00 0.00 N ATOM 1851 CA THR B 3 -11.944 21.331 1.376 1.00 0.00 C ATOM 1852 C THR B 3 -11.525 20.493 0.172 1.00 0.00 C ATOM 1853 O THR B 3 -11.897 19.326 0.033 1.00 0.00 O ATOM 1854 CB THR B 3 -10.899 21.160 2.491 1.00 0.00 C ATOM 1855 OG1 THR B 3 -11.160 19.948 3.212 1.00 0.00 O ATOM 1856 CG2 THR B 3 -10.923 22.341 3.448 1.00 0.00 C ATOM 0 HA THR B 3 -11.996 22.366 1.039 1.00 0.00 H new ATOM 0 HB THR B 3 -9.911 21.112 2.033 1.00 0.00 H new ATOM 0 HG1 THR B 3 -12.124 19.774 3.221 1.00 0.00 H new ATOM 0 HG21 THR B 3 -10.174 22.194 4.226 1.00 0.00 H new ATOM 0 HG22 THR B 3 -10.702 23.257 2.901 1.00 0.00 H new ATOM 0 HG23 THR B 3 -11.910 22.420 3.904 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.735 21.117 -0.692 1.00 0.00 N ATOM 1865 CA ARG B 4 -10.101 20.435 -1.804 1.00 0.00 C ATOM 1866 C ARG B 4 -8.703 19.982 -1.405 1.00 0.00 C ATOM 1867 O ARG B 4 -8.067 20.594 -0.547 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.980 21.365 -3.023 1.00 0.00 C ATOM 1869 CG ARG B 4 -9.173 20.748 -4.156 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.565 21.785 -5.083 1.00 0.00 C ATOM 1871 NE ARG B 4 -7.467 21.207 -5.862 1.00 0.00 N ATOM 1872 CZ ARG B 4 -7.424 21.171 -7.195 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -8.377 21.748 -7.916 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -6.411 20.571 -7.811 1.00 0.00 N ATOM 0 H ARG B 4 -10.518 22.112 -0.638 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.719 19.576 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.977 21.613 -3.386 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.511 22.300 -2.716 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -8.377 20.133 -3.735 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.816 20.085 -4.734 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -9.331 22.171 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -8.198 22.630 -4.500 1.00 0.00 H new ATOM 0 HE ARG B 4 -6.682 20.805 -5.350 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -9.150 22.224 -7.452 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -8.336 21.716 -8.935 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -5.666 20.138 -7.265 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -6.378 20.543 -8.830 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.241 18.915 -2.022 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.855 18.523 -1.928 1.00 0.00 C ATOM 1890 C LEU B 5 -6.158 18.899 -3.227 1.00 0.00 C ATOM 1891 O LEU B 5 -5.743 20.068 -3.366 1.00 0.00 O ATOM 1892 CB LEU B 5 -6.723 17.017 -1.662 1.00 0.00 C ATOM 1893 CG LEU B 5 -6.958 16.568 -0.211 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.056 17.335 0.743 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -8.418 16.727 0.190 1.00 0.00 C ATOM 1896 OXT LEU B 5 -6.060 18.036 -4.119 1.00 0.00 O ATOM 0 H LEU B 5 -8.814 18.299 -2.599 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.388 19.042 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.430 16.491 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.724 16.701 -1.962 1.00 0.00 H new ATOM 0 HG LEU B 5 -6.708 15.509 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.239 17.001 1.764 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.013 17.153 0.483 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.268 18.401 0.666 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -8.550 16.401 1.222 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.708 17.774 0.101 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.043 16.120 -0.465 1.00 0.00 H new